| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 32.7 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 100% | 1.217 | 79% | 0.785 | S | S | * | * | 0 | 105.7 | 0 | -80.3 | 179.3 | 173.9 | 0 | 0 | 108.7 | |||||
| 2 | V | 33.6 | Very low | 32.8 | Very low | 135 Ų | 135 | 160.6 Ų | 160.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -89.5 | 119.1 | -175.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | K | 34.3 | Very low | 32.8 | Very low | 212 Ų | 212 | 160.5 Ų | 160.5 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | trans | -121.8 | 122.2 | 166.3 | -91.5 | -175.8 | 176.6 | 177.9 | 0 | 110 | ||||
| 4 | R | 33.5 | Very low | 33.1 | Very low | 226 Ų | 226 | 155.3 Ų | 155.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 166.5 | -162.8 | -77.5 | -179.9 | 178.2 | -174.9 | -1.1 | 114.4 | ||
| 5 | P | 34.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 160.5 | -168.9 | 34.9 | -33 | 0 | 0 | 0 | 113.6 | ||
| 6 | Y | 29.6 | Very low | 32.7 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.8 | 178.4 | -58.8 | -93.9 | 0 | 0 | 0 | 111.9 | ||
| 7 | L | 27.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -132.9 | 122 | 171.9 | -158.1 | 82.9 | 0 | 0 | 0 | 108.8 | ||||
| 8 | C | 28.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 150.3 Ų | 150.3 | 58% | 0.581 | 77% | 0.771 | S | S | * | * | trans | -106.7 | 129.6 | 172.5 | -74.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | I | 33 | Very low | 32.3 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -112.1 | 126 | 172.4 | -58.8 | 175.3 | 0 | 0 | 0 | 107 | ||||
| 10 | V | 34.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -83.1 | 119.7 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | D | 30.4 | Very low | 32.1 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 47% | 0.465 | 76% | 0.758 | S | S | . | * | trans | -84.1 | 119.4 | 169.1 | -175.3 | 1.6 | 0 | 0 | 0 | 110 | L13 T14 | D11-L13 PolarHBondContact O-N 3.5Å; D11-L13 PolarHBondContact OD1-N 3.46Å; D11-L13 VanDerWaalsContact OD1-N 3.17Å; D11-T14 PolarHBondContact OD2-OG1 3.13Å | ||
| 12 | K | 33.8 | Very low | 31.6 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -8.6 | -176.9 | -82.6 | -174 | 175.3 | -178.9 | 0 | 114 | ||
| 13 | L | 32.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -9.5 | -172.7 | -77.3 | 156.7 | 0 | 0 | 0 | 114.8 | D11 | D11-L13 PolarHBondContact O-N 3.5Å; D11-L13 PolarHBondContact OD1-N 3.46Å; D11-L13 VanDerWaalsContact OD1-N 3.17Å |
| 14 | T | 37.8 | Very low | 31.8 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 53% | 0.534 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.2 | -6.6 | -172.5 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | D11 R16 | D11-T14 PolarHBondContact OD2-OG1 3.13Å; T14-R16 PolarHBondContact O-N 2.87Å |
| 15 | G | 30 | Very low | 32.1 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 60.4 | 18.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 16 | R | 29.9 | Very low | 33 | Very low | 211 Ų | 211 | 134.6 Ų | 134.6 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -105.1 | 122.2 | 179 | -71.3 | -175.4 | -177.3 | -174.3 | 2 | 110.8 | T14 | T14-R16 PolarHBondContact O-N 2.87Š| ||
| 17 | I | 32.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -99.7 | 125 | 167.9 | -59.7 | 174 | 0 | 0 | 0 | 108.3 | ||||
| 18 | C | 25.3 | Very low | 36.7 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -97.1 | 134.4 | 172.9 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 19 | L | 32.7 | Very low | 39.3 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | trans | -141.4 | 117.2 | 145.9 | -83.5 | 176.4 | 0 | 0 | 0 | 110.1 | ||||
| 20 | Q | 29.3 | Very low | 42 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 51.8 | 108.4 | 164.2 | -79.1 | -178.3 | -14.7 | 0 | 0 | 120.7 | ||
| 21 | G | 30.5 | Very low | 44.5 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 92.4 | 71.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117 | R23 | G21-R23 PolarHBondContact O-N 3.35Š|
| 22 | N | 30.2 | Very low | 47.2 | Very low | 181 Ų | 181 | 104.7 Ų | 104.7 | 97% | 0.968 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 32.2 | 17.8 | 150.8 | -108.5 | 7.8 | 0 | 0 | 0 | 122.6 | ||
| 23 | R | 36.5 | Very low | 49.6 | Very low | 212 Ų | 212 | 96.7 Ų | 96.7 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | trans | -145.4 | 36.2 | -178.8 | -74.2 | -160.8 | -170.2 | 178.2 | 7.7 | 114.2 | G21 S25 | G21-R23 PolarHBondContact O-N 3.35Å; R23-S25 PolarHBondContact O-N 2.85Å | ||
| 24 | I | 35 | Very low | 52 | Low | 119 Ų | 119 | 90.3 Ų | 90.3 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | trans | -81.8 | 74.2 | 166.2 | -50.7 | -178.8 | 0 | 0 | 0 | 108.2 | N26 V27 | I24-N26 PolarHBondContact O-N 3.41Å; I24-V27 HydrophobicContact CG2-CG2 3.95Å | ||
| 25 | S | 38.8 | Very low | 54 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 59% | 0.594 | 48% | 0.482 | S | S | * | . | trans | -73.3 | 111.8 | 160.8 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | R23 V27 | R23-S25 PolarHBondContact O-N 2.85Å; S25-V27 PolarHBondContact O-N 2.01Å | ||
| 26 | N | 54.1 | Low | 56.8 | Low | 120 Ų | 120 | 87.9 Ų | 87.9 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | trans | 20.1 | 69.8 | 167.2 | -66.7 | -16.2 | 0 | 0 | 0 | 116.3 | I24 T28 Q195 | I24-N26 PolarHBondContact O-N 3.41Å; N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 3.22Å; N26-T28 PolarHBondContact O-OG1 3.5Å; N26-T28 VanDerWaalsContact O-OG1 3.11Å; N26-Q195 PolarHBondContact OD1-NE2 3.1Å; N26-Q195 VanDerWaalsContact OD1-NE2 3.09Å | ||
| 27 | V | 58.1 | Low | 59.5 | Low | 36 Ų | 36 | 81 Ų | 81 | 22% | 0.218 | 43% | 0.434 | C | S | . | . | trans | -69.7 | 97.3 | 177.1 | -178 | 0 | 0 | 0 | 0 | 107.9 | I24 S25 Q67 | I24-V27 HydrophobicContact CG2-CG2 3.95Å; S25-V27 PolarHBondContact O-N 2.01Å; V27-Q67 HydrophobicContact CG1-CB 3.87Å | ||
| 28 | T | 77.4 | Confident | 62 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 39% | 0.387 | 42% | 0.416 | S | S | . | . | trans | -89.5 | 133.2 | 178.8 | -42.8 | 0 | 0 | 0 | 0 | 107.2 | N26 W68 | N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 3.22Å; N26-T28 PolarHBondContact O-OG1 3.5Å; N26-T28 VanDerWaalsContact O-OG1 3.11Å; T28-W68 VanDerWaalsContact O-CD1 3.29Å; T28-W68 PolarHBondContact O-N 2.86Å; T28-W68 VanDerWaalsContact O-N 3.09Å | ||
| 29 | L | 84.2 | Confident | 65 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 154.6 | 175.1 | -63.4 | 173.9 | 0 | 0 | 0 | 110.2 | I52 L65 L166 V183 P193 | L29-I52 HydrophobicContact CD2-CD1 4.44Å; L29-L65 HydrophobicContact CB-CD1 4.06Å; L29-L65 HydrophobicContact CD1-CD1 4.32Å; L29-L65 HydrophobicContact CD1-CD2 4.48Å; L29-L65 HydrophobicContact CD2-CD1 4.34Å; L29-L65 HydrophobicContact CD2-CD2 4.26Å; L29-L65 HydrophobicContact CD2-CG 4.37Å; L29-L65 HydrophobicContact CG-CD1 4.47Å; L29-L166 HydrophobicContact CB-CD1 4Å; L29-V183 HydrophobicContact CD1-CG1 3.88Å; L29-P193 HydrophobicContact CD1-CG 4.29Å; L29-P193 HydrophobicContact CD2-CB 3.95Å |
| 30 | C | 88.6 | Confident | 67.5 | Low | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.5 | 179.9 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | C49 G66 Q67 W68 | C30-C49 VanDerWaalsContact C-SG 3.6Å; C30-C49 HydrophobicContact CB-CB 3.81Å; C30-C49 WeakPolarHBondContact CB-SG 3.03Å; C30-C49 WeakPolarHBondContact SG-CA 2.82Å; C30-C49 WeakPolarHBondContact SG-CB 3.3Å; C30-C49 CovalentContact SG-SG 2.01Å; C30-C49 PolarHBondContact SG-SG 2.86Å; C30-G66 PolarHBondContact N-O 3.33Å; C30-G66 PolarHBondContact O-N 3.4Å; C30-Q67 PolarHBondContact SG-N 3.02Å; C30-Q67 VanDerWaalsContact SG-N 3.4Å; C30-W68 HydrophobicContact CB-CD2 3.84Å; C30-W68 HydrophobicContact CB-CG 4.01Å; C30-W68 HydrophobicContact CB-CZ2 3.75Å; C30-W68 VanDerWaalsContact CB-NE1 3.3Å; C30-W68 PolarHBondContact SG-N 2.99Å |
| 31 | N | 87 | Confident | 70.2 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.8 | 168.1 | -176.6 | -30.1 | 0 | 0 | 0 | 108 | N33 E34 C49 D64 L124 Y134 L166 | N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 WeakPolarHBondContact OD1-CB 3.4Å; N31-N33 PolarHBondContact OD1-N 3.05Å; N31-N33 PolarHBondContact OD1-ND2 3Å; N31-E34 HydrophobicContact CB-CG 4.05Å; N31-E34 PolarHBondContact N-OE1 3.46Å; N31-E34 VanDerWaalsContact O-CB 3.22Å; N31-E34 WeakPolarHBondContact O-CB 3.46Å; N31-E34 WeakPolarHBondContact O-CG 3.37Å; N31-E34 PolarHBondContact O-N 3.03Å; N31-C49 PolarHBondContact O-SG 2.9Å; N31-D64 CarbonylContact C-O 3.59Å; N31-D64 WeakPolarHBondContact CA-O 2.93Å; N31-L124 HydrophobicContact CB-CD1 4.01Å; N31-Y134 PolarHBondContact ND2-OH 3.16Å; N31-L166 HydrophobicContact CB-CD2 3.96Å; N31-L166 VanDerWaalsContact N-CD2 3.34Å |
| 32 | T | 88 | Confident | 73 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.8 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | E34 C49 P51 D64 | T32-E34 VanDerWaalsContact C-N 3.26Å; T32-C49 VanDerWaalsContact CA-SG 3.59Å; T32-P51 HydrophobicContact CG2-CB 4.04Å; T32-D64 PolarHBondContact N-O 2.72Å; T32-D64 WeakPolarHBondContact OG1-CA 3.46Å; T32-D64 PolarHBondContact OG1-O 3.12Å |
| 33 | N | 84.3 | Confident | 75.9 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.1 | 171.1 | -66 | -75.6 | 0 | 0 | 0 | 112.6 | N31 Y134 Q136 R152 | N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 WeakPolarHBondContact OD1-CB 3.4Å; N31-N33 PolarHBondContact OD1-N 3.05Å; N31-N33 PolarHBondContact OD1-ND2 3Å; N33-Y134 PolarHBondContact ND2-OH 3.07Å; N33-Y134 VanDerWaalsContact ND2-OH 3.17Å; N33-Q136 PolarHBondContact O-NE2 3.38Å; N33-R152 PolarHBondContact OD1-NH2 2.86Å |
| 34 | E | 81.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -67.1 | 147.1 | -177.1 | -72.5 | -177.5 | -121.1 | 0 | 0 | 113.9 | N31 T32 R37 W68 L124 | N31-E34 HydrophobicContact CB-CG 4.05Å; N31-E34 PolarHBondContact N-OE1 3.46Å; N31-E34 VanDerWaalsContact O-CB 3.22Å; N31-E34 WeakPolarHBondContact O-CB 3.46Å; N31-E34 WeakPolarHBondContact O-CG 3.37Å; N31-E34 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact C-N 3.26Å; E34-R37 IonicContact OE2-CZ 3.48Å; E34-R37 IonicContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.63Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; E34-W68 HydrophobicContact CB-CH2 4.07Å; E34-W68 HydrophobicContact CB-CZ2 4.28Å; E34-W68 WeakPolarHBondContact OE2-CZ2 3.27Å; E34-L124 HydrophobicContact CG-CD1 3.81Å; E34-L124 HydrophobicContact CG-CG 4.21Å |
| 35 | I | 79.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 57 Ų | 57 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 143.5 | 177.4 | -65.7 | -179.3 | 0 | 0 | 0 | 109.1 | Q85 L119 | I35-Q85 HydrophobicContact CG2-CG 3.92Å; I35-L119 HydrophobicContact CD1-CD2 3.88Å |
| 36 | K | 90 | Very high | 83.9 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 139.3 | 175.3 | -57.6 | 168.4 | -173.2 | 170.3 | 0 | 109.9 | Y46 L47 Q48 F80 Q85 | K36-Y46 HydrophobicContact CB-CD2 4.28Å; K36-Y46 HydrophobicContact CD-CD2 4.09Å; K36-Y46 HydrophobicContact CD-CE2 3.91Å; K36-Y46 HydrophobicContact CG-CD2 4.41Å; K36-L47 CarbonylContact C-O 3.45Å; K36-L47 WeakPolarHBondContact CA-O 3Å; K36-Q48 HydrophobicContact CG-CB 4.4Å; K36-Q48 HydrophobicContact CG-CG 4.29Å; K36-F80 HydrophobicContact CB-CE1 4.35Å; K36-F80 HydrophobicContact CB-CE2 4.08Å; K36-F80 HydrophobicContact CB-CZ 3.53Å; K36-F80 HydrophobicContact CD-CE2 3.99Å; K36-F80 HydrophobicContact CD-CZ 4.23Å; K36-Q85 PolarHBondContact NZ-O 3.3Å; K36-Q85 PolarHBondContact O-NE2 3.22Å |
| 37 | R | 84.7 | Confident | 85.7 | Confident | 65 Ų | 65 | 51 Ų | 51 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.4 | -175.2 | -60.5 | -180 | 179.5 | -161.4 | -2.1 | 111.6 | E34 Y46 L47 W68 | E34-R37 IonicContact OE2-CZ 3.48Å; E34-R37 IonicContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.63Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 WeakPolarHBondContact O-CA 3.1Å; R37-Y46 WeakPolarHBondContact O-CB 3.18Å; R37-L47 HydrophobicContact CB-CB 4.33Å; R37-L47 PolarHBondContact N-O 3.13Å; R37-L47 PolarHBondContact O-N 3.02Å; R37-W68 HydrophobicContact CG-CH2 3.76Å; R37-W68 HydrophobicContact CG-CZ2 4.27Å; R37-W68 HydrophobicContact CG-CZ3 4.18Å; R37-W68 VanDerWaalsContact NE-CZ2 3.26Å |
| 38 | P | 85.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 144.6 | 172.1 | 28.6 | -34.3 | 0 | 0 | 0 | 110.9 | F80 E82 | P38-F80 HydrophobicContact CB-CD1 4.26Å; P38-E82 VanDerWaalsContact CD-CD 3.45Å; P38-E82 VanDerWaalsContact CD-OE1 3.24Å; P38-E82 WeakPolarHBondContact CD-OE1 3.33Å; P38-E82 HydrophobicContact CG-CB 4.49Å |
| 39 | H | 89 | Confident | 88 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.9 | 175.3 | -176.7 | -82.3 | 0 | 0 | 0 | 110.6 | N41 A42 K45 E70 | H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact ND1-N 2.83Å; H39-N41 PolarHBondContact O-N 3.17Å; H39-N41 VanDerWaalsContact O-N 3.14Å; H39-A42 PolarHBondContact ND1-N 3.41Å; H39-A42 PolarHBondContact O-N 3.4Å; H39-K45 HydrophobicContact CB-CB 3.78Å; H39-K45 VanDerWaalsContact CB-O 3.29Å; H39-K45 WeakPolarHBondContact CB-O 3.29Å; H39-K45 PolarHBondContact N-O 3.18Å; H39-E70 IonicContact NE2-OE2 2.9Å |
| 40 | R | 84.3 | Confident | 88.3 | Confident | 187 Ų | 187 | 52 Ų | 52 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -38 | -173.1 | -69.5 | -173.7 | 179.7 | -172.9 | 1.8 | 114 | ||
| 41 | N | 86.8 | Confident | 88.2 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 80% | 0.802 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -2.9 | -171.7 | -59.3 | -14 | 0 | 0 | 0 | 114.3 | H39 | H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact ND1-N 2.83Å; H39-N41 PolarHBondContact O-N 3.17Å; H39-N41 VanDerWaalsContact O-N 3.14Å |
| 42 | A | 89.9 | Confident | 88.1 | Confident | 19 Ų | 19 | 56 Ų | 56 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 118.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H39 N44 K45 | H39-A42 PolarHBondContact ND1-N 3.41Å; H39-A42 PolarHBondContact O-N 3.4Å; A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.93Å; A42-K45 HydrophobicContact CB-CB 4.1Å; A42-K45 HydrophobicContact CB-CD 3.99Å; A42-K45 HydrophobicContact CB-CG 3.79Å; A42-K45 PolarHBondContact O-N 2.76Å |
| 43 | T | 89.6 | Confident | 87.9 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -24 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | K45 E79 F80 | T43-K45 PolarHBondContact O-N 3.46Å; T43-E79 CarbonylContact O-C 3.52Å; T43-E79 VanDerWaalsContact O-CA 3.24Å; T43-E79 WeakPolarHBondContact O-CA 3.43Å; T43-E79 WeakPolarHBondContact OG1-CG 3.47Å; T43-E79 PolarHBondContact OG1-OE1 2.84Å; T43-F80 PolarHBondContact O-N 2.87Å |
| 44 | N | 92.5 | Very high | 87.6 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 9.2 | 176.2 | 68.3 | -29.1 | 0 | 0 | 0 | 113.5 | A42 C73 D76 E78 | A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.93Å; N44-C73 PolarHBondContact O-N 2.74Å; N44-D76 PolarHBondContact ND2-OD1 2.82Å; N44-E78 WeakPolarHBondContact CB-O 3.2Å |
| 45 | K | 94.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155 | 179.3 | -50.4 | -165.1 | -167.8 | 168 | 0 | 111 | H39 A42 T43 E70 K71 R72 | H39-K45 HydrophobicContact CB-CB 3.78Å; H39-K45 VanDerWaalsContact CB-O 3.29Å; H39-K45 WeakPolarHBondContact CB-O 3.29Å; H39-K45 PolarHBondContact N-O 3.18Å; A42-K45 HydrophobicContact CB-CB 4.1Å; A42-K45 HydrophobicContact CB-CD 3.99Å; A42-K45 HydrophobicContact CB-CG 3.79Å; A42-K45 PolarHBondContact O-N 2.76Å; T43-K45 PolarHBondContact O-N 3.46Å; K45-E70 HydrophobicContact CD-CG 4.17Å; K45-E70 WeakPolarHBondContact CD-OE1 2.94Å; K45-E70 VanDerWaalsContact CE-OE1 3.3Å; K45-E70 WeakPolarHBondContact CE-OE1 3.39Å; K45-E70 IonicContact NZ-OE1 3.17Å; K45-E70 PolarHBondContact NZ-OE1 2.03Å; K45-K71 CarbonylContact C-O 3.56Å; K45-K71 VanDerWaalsContact CA-O 3.27Å; K45-K71 WeakPolarHBondContact CA-O 3.35Å; K45-K71 WeakPolarHBondContact CB-O 2.97Å; K45-R72 HydrophobicContact CD-CG 4.28Å; K45-R72 HydrophobicContact CG-CG 4.22Å |
| 46 | Y | 93.1 | Very high | 87.1 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 159.8 | 177.9 | 63.1 | -83.2 | 0 | 0 | 0 | 110.5 | K36 R37 Q48 K71 F80 | K36-Y46 HydrophobicContact CB-CD2 4.28Å; K36-Y46 HydrophobicContact CD-CD2 4.09Å; K36-Y46 HydrophobicContact CD-CE2 3.91Å; K36-Y46 HydrophobicContact CG-CD2 4.41Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 WeakPolarHBondContact O-CA 3.1Å; R37-Y46 WeakPolarHBondContact O-CB 3.18Å; Y46-Q48 HydrophobicContact CD2-CB 4.31Å; Y46-Q48 HydrophobicContact CE2-CB 4.07Å; Y46-K71 HydrophobicContact CD1-CB 4.1Å; Y46-K71 HydrophobicContact CD2-CB 4.02Å; Y46-K71 HydrophobicContact CE1-CB 3.61Å; Y46-K71 HydrophobicContact CE2-CB 3.54Å; Y46-K71 HydrophobicContact CE2-CG 3.92Å; Y46-K71 HydrophobicContact CG-CB 4.28Å; Y46-K71 PolarHBondContact N-O 3.09Å; Y46-K71 PolarHBondContact O-N 3.17Å; Y46-F80 HydrophobicContact CD1-CB 4.3Å; Y46-F80 AromaticContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CE2 4.4Å; Y46-F80 HydrophobicContact CD1-CG 4.17Å; Y46-F80 HydrophobicContact CD2-CD2 4.15Å; Y46-F80 HydrophobicContact CD2-CE2 4.05Å; Y46-F80 HydrophobicContact CE1-CD2 4.44Å; Y46-F80 HydrophobicContact CG-CB 4.43Å; Y46-F80 AromaticContact CG-CD2 3.54Å; Y46-F80 HydrophobicContact CG-CD2 3.54Å; Y46-F80 AromaticContact CG-CE2 3.91Å; Y46-F80 HydrophobicContact CG-CE2 3.91Å; Y46-F80 AromaticContact CG-CG 3.93Å; Y46-F80 HydrophobicContact CG-CG 3.93Å |
| 47 | L | 91.6 | Very high | 86.3 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.4 | 173.2 | -60.3 | 173.4 | 0 | 0 | 0 | 108.1 | K36 R37 W68 T69 E70 | K36-L47 CarbonylContact C-O 3.45Å; K36-L47 WeakPolarHBondContact CA-O 3Å; R37-L47 HydrophobicContact CB-CB 4.33Å; R37-L47 PolarHBondContact N-O 3.13Å; R37-L47 PolarHBondContact O-N 3.02Å; L47-W68 HydrophobicContact CB-CD2 4.33Å; L47-W68 HydrophobicContact CB-CE3 3.65Å; L47-W68 HydrophobicContact CB-CZ3 4.17Å; L47-T69 WeakPolarHBondContact CA-O 3.28Å; L47-E70 HydrophobicContact CD2-CB 4.23Å |
| 48 | Q | 92.5 | Very high | 85.7 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.8 | 173.9 | -179.4 | 169.9 | 2.4 | 0 | 0 | 108.9 | K36 Y46 E50 T69 K71 | K36-Q48 HydrophobicContact CG-CB 4.4Å; K36-Q48 HydrophobicContact CG-CG 4.29Å; Y46-Q48 HydrophobicContact CD2-CB 4.31Å; Y46-Q48 HydrophobicContact CE2-CB 4.07Å; Q48-E50 HydrophobicContact CG-CG 4.39Å; Q48-E50 PolarHBondContact O-N 2.8Å; Q48-T69 PolarHBondContact N-O 2.03Å; Q48-T69 PolarHBondContact O-N 3.11Å; Q48-T69 PolarHBondContact O-OG1 3.17Å; Q48-K71 HydrophobicContact CB-CG 4.06Å |
| 49 | C | 91 | Very high | 85.1 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 107.7 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | C30 N31 T32 W68 | C30-C49 VanDerWaalsContact C-SG 3.6Å; C30-C49 HydrophobicContact CB-CB 3.81Å; C30-C49 WeakPolarHBondContact CB-SG 3.03Å; C30-C49 WeakPolarHBondContact SG-CA 2.82Å; C30-C49 WeakPolarHBondContact SG-CB 3.3Å; C30-C49 CovalentContact SG-SG 2.01Å; C30-C49 PolarHBondContact SG-SG 2.86Å; N31-C49 PolarHBondContact O-SG 2.9Å; T32-C49 VanDerWaalsContact CA-SG 3.59Å; C49-W68 HydrophobicContact CB-CE3 4.19Å; C49-W68 HydrophobicContact CB-CH2 4.21Å; C49-W68 HydrophobicContact CB-CZ3 3.97Å |
| 50 | E | 90.3 | Very high | 84.3 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.4 | 173.8 | -72.3 | -174.4 | 138.7 | 0 | 0 | 109.3 | Q48 I52 G66 Q67 T69 K71 | Q48-E50 HydrophobicContact CG-CG 4.39Å; Q48-E50 PolarHBondContact O-N 2.8Å; E50-I52 PolarHBondContact O-N 2.85Å; E50-G66 CarbonylContact O-C 3.59Å; E50-G66 WeakPolarHBondContact O-CA 2.9Å; E50-Q67 PolarHBondContact N-O 3.36Å; E50-Q67 PolarHBondContact O-N 3.25Å; E50-T69 HydrophobicContact CB-CG2 4.18Å; E50-T69 HydrophobicContact CG-CG2 4.35Å; E50-T69 WeakPolarHBondContact CG-OG1 3.49Å; E50-T69 WeakPolarHBondContact OE2-CB 2.92Å; E50-T69 WeakPolarHBondContact OE2-CG2 3.33Å; E50-T69 PolarHBondContact OE2-OG1 2.82Å; E50-K71 VanDerWaalsContact CD-CE 3.43Å; E50-K71 WeakPolarHBondContact OE1-CE 3.36Å; E50-K71 IonicContact OE1-NZ 3.77Å; E50-K71 PolarHBondContact OE1-NZ 2.99Å; E50-K71 IonicContact OE2-NZ 3.6Å; E50-K71 PolarHBondContact OE2-NZ 3.26Å; E50-K71 VanDerWaalsContact OE2-NZ 3.17Å |
| 51 | P | 87.3 | Confident | 83.8 | Confident | 72 Ų | 72 | 68 Ų | 68 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 140.6 | 173.9 | 25.3 | -32.8 | 0 | 0 | 0 | 109.1 | T32 | T32-P51 HydrophobicContact CG2-CB 4.04Å |
| 52 | I | 83.5 | Confident | 83.4 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 147.2 | 171.9 | -50.9 | 178.8 | 0 | 0 | 0 | 107.5 | L29 E50 N56 R57 L65 P193 | L29-I52 HydrophobicContact CD2-CD1 4.44Å; E50-I52 PolarHBondContact O-N 2.85Å; I52-N56 HydrophobicContact CB-CB 4.44Å; I52-N56 HydrophobicContact CG2-CB 3.38Å; I52-R57 HydrophobicContact CB-CG 4.46Å; I52-R57 WeakPolarHBondContact O-CD 3.41Å; I52-R57 VanDerWaalsContact O-CG 3.27Å; I52-R57 WeakPolarHBondContact O-CG 3.47Å; I52-L65 HydrophobicContact CD1-CB 4.42Å; I52-L65 HydrophobicContact CD1-CD2 3.66Å; I52-L65 HydrophobicContact CD1-CG 3.83Å; I52-L65 PolarHBondContact N-O 2.88Å; I52-P193 HydrophobicContact CD1-CB 3.95Å |
| 53 | S | 83.7 | Confident | 82.9 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 43% | 0.427 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -47.4 | 144.2 | 179.3 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | S55 N56 R57 | S53-S55 PolarHBondContact O-N 3.27Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 3.45Å; S53-N56 WeakPolarHBondContact O-CA 3.33Å; S53-N56 WeakPolarHBondContact O-CB 3.3Å; S53-N56 PolarHBondContact O-N 3.37Å; S53-N56 PolarHBondContact OG-ND2 3.02Å; S53-N56 VanDerWaalsContact OG-ND2 3.15Å; S53-R57 PolarHBondContact O-N 3.47Å |
| 54 | D | 78.6 | Confident | 82.6 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 60% | 0.599 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -34.1 | -174.8 | -66.9 | -40.1 | 0 | 0 | 0 | 113 | N56 R57 L58 | D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.49Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-NH1 3.69Å; D54-L58 PolarHBondContact O-N 2.94Å; D54-L58 VanDerWaalsContact O-N 3.11Å |
| 55 | S | 76.8 | Confident | 82.2 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -51.9 | -48.5 | 170.9 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | S53 F59 | S53-S55 PolarHBondContact O-N 3.27Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 3.45Å; S55-F59 WeakPolarHBondContact O-CD2 3.43Å; S55-F59 VanDerWaalsContact O-CE2 3.28Å; S55-F59 WeakPolarHBondContact O-CE2 3.28Å |
| 56 | N | 74.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75.6 | -35.9 | 179.2 | -73.4 | -27.2 | 0 | 0 | 0 | 112.6 | I52 S53 D54 L58 F59 W60 | I52-N56 HydrophobicContact CB-CB 4.44Å; I52-N56 HydrophobicContact CG2-CB 3.38Å; S53-N56 WeakPolarHBondContact O-CA 3.33Å; S53-N56 WeakPolarHBondContact O-CB 3.3Å; S53-N56 PolarHBondContact O-N 3.37Å; S53-N56 PolarHBondContact OG-ND2 3.02Å; S53-N56 VanDerWaalsContact OG-ND2 3.15Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.49Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.78Å; N56-F59 PolarHBondContact O-N 3.04Å; N56-W60 PolarHBondContact O-N 3.27Å |
| 57 | R | 73.3 | Confident | 81.6 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 177.3 | -73.9 | 175.1 | 87 | -162.5 | 10.3 | 111.8 | I52 S53 D54 F59 W60 K61 P63 | I52-R57 HydrophobicContact CB-CG 4.46Å; I52-R57 WeakPolarHBondContact O-CD 3.41Å; I52-R57 VanDerWaalsContact O-CG 3.27Å; I52-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 3.47Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-NH1 3.69Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 3.18Å; R57-W60 PolarHBondContact O-N 2.95Å; R57-K61 PolarHBondContact O-N 2.72Å; R57-P63 PolarHBondContact NE-O 3.39Å; R57-P63 PolarHBondContact NH2-O 3.32Å |
| 58 | L | 72.6 | Confident | 81.5 | Confident | 141 Ų | 141 | 58.7 Ų | 58.7 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62 | -38.5 | 174.2 | -77.8 | 158.4 | 0 | 0 | 0 | 112.3 | D54 N56 | D54-L58 PolarHBondContact O-N 2.94Å; D54-L58 VanDerWaalsContact O-N 3.11Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.78Å |
| 59 | F | 73 | Confident | 81.4 | Confident | 111 Ų | 111 | 57 Ų | 57 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 178.4 | -70.8 | -60.3 | 0 | 0 | 0 | 112.8 | S55 N56 R57 | S55-F59 WeakPolarHBondContact O-CD2 3.43Å; S55-F59 VanDerWaalsContact O-CE2 3.28Å; S55-F59 WeakPolarHBondContact O-CE2 3.28Å; N56-F59 PolarHBondContact O-N 3.04Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 3.18Å |
| 60 | W | 72 | Confident | 81.4 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -85.7 | -14.7 | -173.7 | -54.4 | 116.8 | 0 | 0 | 0 | 114.4 | N56 R57 L62 T184 Q185 A191 C192 P193 | N56-W60 PolarHBondContact O-N 3.27Å; R57-W60 PolarHBondContact O-N 2.95Å; W60-L62 PolarHBondContact O-N 3.49Å; W60-T184 HydrophobicContact CD2-CG2 4.07Å; W60-T184 HydrophobicContact CE3-CG2 3.35Å; W60-T184 HydrophobicContact CZ3-CG2 4Å; W60-T184 PolarHBondContact O-OG1 2.79Å; W60-T184 VanDerWaalsContact O-OG1 3.11Å; W60-Q185 VanDerWaalsContact CE3-O 3.24Å; W60-Q185 WeakPolarHBondContact CZ3-O 3.45Å; W60-A191 HydrophobicContact CH2-CB 4.03Å; W60-A191 WeakPolarHBondContact CH2-O 3.34Å; W60-A191 HydrophobicContact CZ2-CB 4.18Å; W60-A191 WeakPolarHBondContact CZ3-O 3.21Å; W60-C192 VanDerWaalsContact CH2-CA 3.43Å; W60-P193 HydrophobicContact CD2-CG 4.24Å; W60-P193 HydrophobicContact CG-CG 4.48Å |
| 61 | K | 74.6 | Confident | 81.6 | Confident | 163 Ų | 163 | 60.4 Ų | 60.4 | 71% | 0.709 | 31% | 0.31 | S | S | * | . | trans | 53.2 | 24.7 | -175.9 | -59.6 | -179.6 | 179.5 | 175.4 | 0 | 114.3 | R57 P63 | R57-K61 PolarHBondContact O-N 2.72Å; K61-P63 WeakPolarHBondContact O-CD 3.41Å | ||
| 62 | L | 78.2 | Confident | 82 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -108.5 | 97 | 176.3 | -66.1 | 177.3 | 0 | 0 | 0 | 108.6 | W60 D64 L65 F155 T184 | W60-L62 PolarHBondContact O-N 3.49Å; L62-D64 VanDerWaalsContact C-N 3.31Å; L62-D64 PolarHBondContact O-N 2.88Å; L62-L65 HydrophobicContact CB-CB 3.7Å; L62-L65 HydrophobicContact CB-CD2 4.35Å; L62-L65 HydrophobicContact CD1-CB 4.36Å; L62-L65 HydrophobicContact CD1-CD2 3.71Å; L62-L65 HydrophobicContact CD1-CG 4.47Å; L62-L65 PolarHBondContact O-N 3.44Å; L62-F155 HydrophobicContact CD2-CD1 4.47Å; L62-F155 HydrophobicContact CD2-CE1 3.45Å; L62-F155 VanDerWaalsContact CD2-CE1 3.45Å; L62-F155 HydrophobicContact CD2-CE2 4.04Å; L62-F155 HydrophobicContact CD2-CZ 3.19Å; L62-T184 HydrophobicContact CD1-CG2 4.48Å | ||
| 63 | P | 78.4 | Confident | 82.6 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -34.1 | -174 | 25.6 | -33.6 | 0 | 0 | 0 | 112.3 | R57 K61 F155 | R57-P63 PolarHBondContact NE-O 3.39Å; R57-P63 PolarHBondContact NH2-O 3.32Å; K61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-F155 HydrophobicContact CG-CB 3.59Å; P63-F155 HydrophobicContact CG-CD1 4.2Å; P63-F155 HydrophobicContact CG-CG 4.09Å |
| 64 | D | 83.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 10 | -175.2 | -57.7 | -49.1 | 0 | 0 | 0 | 113.7 | N31 T32 L62 | N31-D64 CarbonylContact C-O 3.59Å; N31-D64 WeakPolarHBondContact CA-O 2.93Å; T32-D64 PolarHBondContact N-O 2.72Å; T32-D64 WeakPolarHBondContact OG1-CA 3.46Å; T32-D64 PolarHBondContact OG1-O 3.12Å; L62-D64 VanDerWaalsContact C-N 3.31Å; L62-D64 PolarHBondContact O-N 2.88Å |
| 65 | L | 84.9 | Confident | 83.7 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.6 | -179.6 | -168.6 | 70.6 | 0 | 0 | 0 | 110.9 | L29 I52 L62 L166 P193 | L29-L65 HydrophobicContact CB-CD1 4.06Å; L29-L65 HydrophobicContact CD1-CD1 4.32Å; L29-L65 HydrophobicContact CD1-CD2 4.48Å; L29-L65 HydrophobicContact CD2-CD1 4.34Å; L29-L65 HydrophobicContact CD2-CD2 4.26Å; L29-L65 HydrophobicContact CD2-CG 4.37Å; L29-L65 HydrophobicContact CG-CD1 4.47Å; I52-L65 HydrophobicContact CD1-CB 4.42Å; I52-L65 HydrophobicContact CD1-CD2 3.66Å; I52-L65 HydrophobicContact CD1-CG 3.83Å; I52-L65 PolarHBondContact N-O 2.88Å; L62-L65 HydrophobicContact CB-CB 3.7Å; L62-L65 HydrophobicContact CB-CD2 4.35Å; L62-L65 HydrophobicContact CD1-CB 4.36Å; L62-L65 HydrophobicContact CD1-CD2 3.71Å; L62-L65 HydrophobicContact CD1-CG 4.47Å; L62-L65 PolarHBondContact O-N 3.44Å; L65-L166 HydrophobicContact CD1-CD1 3.93Å; L65-L166 HydrophobicContact CD1-CD2 3.91Å; L65-P193 HydrophobicContact CD2-CB 4.11Å; L65-P193 HydrophobicContact CD2-CG 3.91Å |
| 66 | G | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C30 E50 | C30-G66 PolarHBondContact N-O 3.33Å; C30-G66 PolarHBondContact O-N 3.4Å; E50-G66 CarbonylContact O-C 3.59Å; E50-G66 WeakPolarHBondContact O-CA 2.9Å |
| 67 | Q | 87.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.8 | 170.6 | 60 | 180 | 9.4 | 0 | 0 | 109.9 | V27 C30 E50 T69 | V27-Q67 HydrophobicContact CG1-CB 3.87Å; C30-Q67 PolarHBondContact SG-N 3.02Å; C30-Q67 VanDerWaalsContact SG-N 3.4Å; E50-Q67 PolarHBondContact N-O 3.36Å; E50-Q67 PolarHBondContact O-N 3.25Å; Q67-T69 HydrophobicContact CG-CG2 3.98Å; Q67-T69 PolarHBondContact O-N 3.29Å |
| 68 | W | 87.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 75 Ų | 75 | 11% | 0.114 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 118.3 | 172.7 | -76.2 | 113.5 | 0 | 0 | 0 | 109.5 | T28 C30 E34 R37 L47 C49 | T28-W68 VanDerWaalsContact O-CD1 3.29Å; T28-W68 PolarHBondContact O-N 2.86Å; T28-W68 VanDerWaalsContact O-N 3.09Å; C30-W68 HydrophobicContact CB-CD2 3.84Å; C30-W68 HydrophobicContact CB-CG 4.01Å; C30-W68 HydrophobicContact CB-CZ2 3.75Å; C30-W68 VanDerWaalsContact CB-NE1 3.3Å; C30-W68 PolarHBondContact SG-N 2.99Å; E34-W68 HydrophobicContact CB-CH2 4.07Å; E34-W68 HydrophobicContact CB-CZ2 4.28Å; E34-W68 WeakPolarHBondContact OE2-CZ2 3.27Å; R37-W68 HydrophobicContact CG-CH2 3.76Å; R37-W68 HydrophobicContact CG-CZ2 4.27Å; R37-W68 HydrophobicContact CG-CZ3 4.18Å; R37-W68 VanDerWaalsContact NE-CZ2 3.26Å; L47-W68 HydrophobicContact CB-CD2 4.33Å; L47-W68 HydrophobicContact CB-CE3 3.65Å; L47-W68 HydrophobicContact CB-CZ3 4.17Å; C49-W68 HydrophobicContact CB-CE3 4.19Å; C49-W68 HydrophobicContact CB-CH2 4.21Å; C49-W68 HydrophobicContact CB-CZ3 3.97Å |
| 69 | T | 90.6 | Very high | 87.1 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.7 | 173.4 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | L47 Q48 E50 Q67 K71 | L47-T69 WeakPolarHBondContact CA-O 3.28Å; Q48-T69 PolarHBondContact N-O 2.03Å; Q48-T69 PolarHBondContact O-N 3.11Å; Q48-T69 PolarHBondContact O-OG1 3.17Å; E50-T69 HydrophobicContact CB-CG2 4.18Å; E50-T69 HydrophobicContact CG-CG2 4.35Å; E50-T69 WeakPolarHBondContact CG-OG1 3.49Å; E50-T69 WeakPolarHBondContact OE2-CB 2.92Å; E50-T69 WeakPolarHBondContact OE2-CG2 3.33Å; E50-T69 PolarHBondContact OE2-OG1 2.82Å; Q67-T69 HydrophobicContact CG-CG2 3.98Å; Q67-T69 PolarHBondContact O-N 3.29Å; T69-K71 PolarHBondContact O-N 2.02Å; T69-K71 WeakPolarHBondContact OG1-CE 3.23Å |
| 70 | E | 92.6 | Very high | 88 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 118.4 | 175.9 | -174 | -173.4 | 145.7 | 0 | 0 | 109.4 | H39 K45 L47 | H39-E70 IonicContact NE2-OE2 2.9Å; K45-E70 HydrophobicContact CD-CG 4.17Å; K45-E70 WeakPolarHBondContact CD-OE1 2.94Å; K45-E70 VanDerWaalsContact CE-OE1 3.3Å; K45-E70 WeakPolarHBondContact CE-OE1 3.39Å; K45-E70 IonicContact NZ-OE1 3.17Å; K45-E70 PolarHBondContact NZ-OE1 2.03Å; L47-E70 HydrophobicContact CD2-CB 4.23Å |
| 71 | K | 94.4 | Very high | 88.7 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 27% | 0.265 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 149.6 | 174.4 | -61.3 | -62.4 | -174.8 | -177.4 | 0 | 109.9 | K45 Y46 Q48 E50 T69 | K45-K71 CarbonylContact C-O 3.56Å; K45-K71 VanDerWaalsContact CA-O 3.27Å; K45-K71 WeakPolarHBondContact CA-O 3.35Å; K45-K71 WeakPolarHBondContact CB-O 2.97Å; Y46-K71 HydrophobicContact CD1-CB 4.1Å; Y46-K71 HydrophobicContact CD2-CB 4.02Å; Y46-K71 HydrophobicContact CE1-CB 3.61Å; Y46-K71 HydrophobicContact CE2-CB 3.54Å; Y46-K71 HydrophobicContact CE2-CG 3.92Å; Y46-K71 HydrophobicContact CG-CB 4.28Å; Y46-K71 PolarHBondContact N-O 3.09Å; Y46-K71 PolarHBondContact O-N 3.17Å; Q48-K71 HydrophobicContact CB-CG 4.06Å; E50-K71 VanDerWaalsContact CD-CE 3.43Å; E50-K71 WeakPolarHBondContact OE1-CE 3.36Å; E50-K71 IonicContact OE1-NZ 3.77Å; E50-K71 PolarHBondContact OE1-NZ 2.99Å; E50-K71 IonicContact OE2-NZ 3.6Å; E50-K71 PolarHBondContact OE2-NZ 3.26Å; E50-K71 VanDerWaalsContact OE2-NZ 3.17Å; T69-K71 PolarHBondContact O-N 2.02Å; T69-K71 WeakPolarHBondContact OG1-CE 3.23Å |
| 72 | R | 95.2 | Very high | 89.2 | Confident | 164 Ų | 164 | 60.7 Ų | 60.7 | 62% | 0.619 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.6 | 173 | -60.9 | -173.1 | -179.5 | -167 | 0.3 | 109.3 | K45 | K45-R72 HydrophobicContact CD-CG 4.28Å; K45-R72 HydrophobicContact CG-CG 4.22Å |
| 73 | C | 95.9 | Very high | 89.1 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 8% | 0.081 | 30% | 0.295 | C | S | . | . | trans | -63.5 | 155.3 | 165 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | N44 S75 E78 C87 | N44-C73 PolarHBondContact O-N 2.74Å; C73-S75 PolarHBondContact O-N 3.11Å; C73-E78 HydrophobicContact CB-CB 3.78Å; C73-C87 WeakPolarHBondContact CA-SG 3.22Å; C73-C87 HydrophobicContact CB-CB 3.61Å; C73-C87 WeakPolarHBondContact CB-SG 3.47Å; C73-C87 WeakPolarHBondContact SG-CB 3.47Å; C73-C87 CovalentContact SG-SG 2.04Å; C73-C87 PolarHBondContact SG-SG 3.38Å | ||
| 74 | Q | 95.3 | Very high | 89.3 | Confident | 194 Ų | 194 | 63.4 Ų | 63.4 | 91% | 0.907 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -65.2 | -30.2 | -174.9 | -70.2 | -177.8 | 1 | 0 | 0 | 112.1 | E78 | Q74-E78 PolarHBondContact N-OE2 3.28Š|
| 75 | S | 90.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -125.9 | 145.1 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | C73 R77 E78 | C73-S75 PolarHBondContact O-N 3.11Å; S75-R77 PolarHBondContact O-N 2.83Å; S75-R77 VanDerWaalsContact O-N 3.12Å; S75-R77 PolarHBondContact OG-N 2.76Å; S75-E78 PolarHBondContact N-OE2 3.46Å; S75-E78 WeakPolarHBondContact O-CB 3.37Å; S75-E78 PolarHBondContact O-N 3.31Å |
| 76 | D | 90.4 | Very high | 89.8 | Confident | 121 Ų | 121 | 69 Ų | 69 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.4 | 172 | -66.8 | -42.1 | 0 | 0 | 0 | 113.7 | N44 E78 | N44-D76 PolarHBondContact ND2-OD1 2.82Å; D76-E78 VanDerWaalsContact C-N 3.31Å |
| 77 | R | 90.8 | Very high | 90.1 | Very high | 201 Ų | 201 | 70.4 Ų | 70.4 | 76% | 0.758 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0 | 172.7 | -62.3 | -175.1 | -179.8 | -178.6 | 1 | 113 | S75 R90 | S75-R77 PolarHBondContact O-N 2.83Å; S75-R77 VanDerWaalsContact O-N 3.12Å; S75-R77 PolarHBondContact OG-N 2.76Å; R77-R90 WeakPolarHBondContact O-CG 2.97Å; R77-R90 PolarHBondContact O-N 3.4Å |
| 78 | E | 93.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 147.8 | 174.8 | -65.6 | 177.8 | 159 | 0 | 0 | 110.7 | N44 C73 Q74 S75 D76 C87 V88 K89 | N44-E78 WeakPolarHBondContact CB-O 3.2Å; C73-E78 HydrophobicContact CB-CB 3.78Å; Q74-E78 PolarHBondContact N-OE2 3.28Å; S75-E78 PolarHBondContact N-OE2 3.46Å; S75-E78 WeakPolarHBondContact O-CB 3.37Å; S75-E78 PolarHBondContact O-N 3.31Å; D76-E78 VanDerWaalsContact C-N 3.31Å; E78-C87 HydrophobicContact CB-CB 4.2Å; E78-V88 CarbonylContact C-O 3.53Å; E78-V88 VanDerWaalsContact CA-O 3.28Å; E78-V88 WeakPolarHBondContact CA-O 3.5Å; E78-K89 HydrophobicContact CG-CG 4.23Å |
| 79 | E | 92.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.4 | 174.1 | -73.1 | -179.5 | 168 | 0 | 0 | 108.3 | T43 N81 V88 R90 L93 | T43-E79 CarbonylContact O-C 3.52Å; T43-E79 VanDerWaalsContact O-CA 3.24Å; T43-E79 WeakPolarHBondContact O-CA 3.43Å; T43-E79 WeakPolarHBondContact OG1-CG 3.47Å; T43-E79 PolarHBondContact OG1-OE1 2.84Å; E79-N81 PolarHBondContact O-N 3.27Å; E79-V88 PolarHBondContact N-O 3.2Å; E79-V88 PolarHBondContact O-N 2.88Å; E79-R90 HydrophobicContact CB-CG 4.47Å; E79-R90 VanDerWaalsContact CD-CG 3.46Å; E79-R90 HydrophobicContact CG-CG 3.59Å; E79-R90 IonicContact OE1-CZ 3.53Å; E79-R90 IonicContact OE1-NE 3.81Å; E79-R90 PolarHBondContact OE1-NE 2.02Å; E79-R90 IonicContact OE1-NH2 3.82Å; E79-L93 HydrophobicContact CB-CD1 3.47Å; E79-L93 VanDerWaalsContact CB-CD1 3.47Å; E79-L93 HydrophobicContact CG-CD1 4.41Å |
| 80 | F | 91.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 77.2 Ų | 77.2 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121.9 | 178.6 | -178.4 | -104.8 | 0 | 0 | 0 | 110 | K36 P38 T43 Y46 E82 | K36-F80 HydrophobicContact CB-CE1 4.35Å; K36-F80 HydrophobicContact CB-CE2 4.08Å; K36-F80 HydrophobicContact CB-CZ 3.53Å; K36-F80 HydrophobicContact CD-CE2 3.99Å; K36-F80 HydrophobicContact CD-CZ 4.23Å; P38-F80 HydrophobicContact CB-CD1 4.26Å; T43-F80 PolarHBondContact O-N 2.87Å; Y46-F80 HydrophobicContact CD1-CB 4.3Å; Y46-F80 AromaticContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CE2 4.4Å; Y46-F80 HydrophobicContact CD1-CG 4.17Å; Y46-F80 HydrophobicContact CD2-CD2 4.15Å; Y46-F80 HydrophobicContact CD2-CE2 4.05Å; Y46-F80 HydrophobicContact CE1-CD2 4.44Å; Y46-F80 HydrophobicContact CG-CB 4.43Å; Y46-F80 AromaticContact CG-CD2 3.54Å; Y46-F80 HydrophobicContact CG-CD2 3.54Å; Y46-F80 AromaticContact CG-CE2 3.91Å; Y46-F80 HydrophobicContact CG-CE2 3.91Å; Y46-F80 AromaticContact CG-CG 3.93Å; Y46-F80 HydrophobicContact CG-CG 3.93Å; F80-E82 HydrophobicContact CE1-CB 4.23Å |
| 81 | N | 87.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 104.4 | 173.6 | -175.7 | -15.4 | 0 | 0 | 0 | 108.8 | E79 Y83 E84 Q85 K86 V88 | E79-N81 PolarHBondContact O-N 3.27Å; N81-Y83 PolarHBondContact O-N 3.16Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.44Å; N81-Y83 WeakPolarHBondContact OD1-CD2 2.98Å; N81-Y83 PolarHBondContact OD1-N 2.73Å; N81-Y83 VanDerWaalsContact OD1-N 3.07Å; N81-E84 HydrophobicContact CB-CB 4.25Å; N81-E84 PolarHBondContact O-N 2.57Å; N81-E84 VanDerWaalsContact O-N 3.15Å; N81-E84 PolarHBondContact OD1-N 3.06Å; N81-Q85 PolarHBondContact O-N 2.96Å; N81-K86 PolarHBondContact N-O 2.96Å; N81-V88 HydrophobicContact CB-CG1 4.08Å; N81-V88 HydrophobicContact CB-CG2 3.75Å |
| 82 | E | 83.6 | Confident | 88.5 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 29% | 0.29 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.7 | 178.9 | -178.3 | 170.3 | -147.3 | 0 | 0 | 112.7 | P38 F80 Q85 | P38-E82 VanDerWaalsContact CD-CD 3.45Å; P38-E82 VanDerWaalsContact CD-OE1 3.24Å; P38-E82 WeakPolarHBondContact CD-OE1 3.33Å; P38-E82 HydrophobicContact CG-CB 4.49Å; F80-E82 HydrophobicContact CE1-CB 4.23Å; E82-Q85 PolarHBondContact O-NE2 2.82Å |
| 83 | Y | 76.4 | Confident | 87.1 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -34.8 | -179.1 | -53.4 | -81 | 0 | 0 | 0 | 112.9 | N81 Y145 | N81-Y83 PolarHBondContact O-N 3.16Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.44Å; N81-Y83 WeakPolarHBondContact OD1-CD2 2.98Å; N81-Y83 PolarHBondContact OD1-N 2.73Å; N81-Y83 VanDerWaalsContact OD1-N 3.07Å; Y83-Y145 AromaticContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CD1 3.43Å; Y83-Y145 VanDerWaalsContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CE1 4.08Å; Y83-Y145 HydrophobicContact CD1-CG 4.47Å; Y83-Y145 HydrophobicContact CD2-CD1 4.21Å; Y83-Y145 HydrophobicContact CD2-CE1 4.03Å; Y83-Y145 AromaticContact CE1-CD1 3.84Å; Y83-Y145 HydrophobicContact CE1-CD1 3.84Å; Y83-Y145 AromaticContact CG-CD1 3.59Å; Y83-Y145 HydrophobicContact CG-CD1 3.59Å; Y83-Y145 AromaticContact CG-CE1 3.75Å; Y83-Y145 HydrophobicContact CG-CE1 3.75Å |
| 84 | E | 83 | Confident | 85.6 | Confident | 52 Ų | 52 | 88 Ų | 88 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.3 | 179.1 | -65.6 | -168.5 | 168.8 | 0 | 0 | 113 | N81 K86 V88 | N81-E84 HydrophobicContact CB-CB 4.25Å; N81-E84 PolarHBondContact O-N 2.57Å; N81-E84 VanDerWaalsContact O-N 3.15Å; N81-E84 PolarHBondContact OD1-N 3.06Å; E84-K86 HydrophobicContact CB-CD 4.26Å; E84-K86 HydrophobicContact CB-CG 3.83Å; E84-K86 WeakPolarHBondContact O-CG 3.15Å; E84-K86 PolarHBondContact O-N 3.02Å; E84-K86 VanDerWaalsContact O-N 3.11Å; E84-K86 WeakPolarHBondContact OE2-CE 3.22Å; E84-K86 IonicContact OE2-NZ 2.64Å; E84-V88 VanDerWaalsContact OE2-CG1 3.28Å; E84-V88 WeakPolarHBondContact OE2-CG1 3.39Å |
| 85 | Q | 86.6 | Confident | 84 | Confident | 48 Ų | 48 | 87 Ų | 87 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 28.2 | -179.6 | -70.4 | -65.6 | -64.3 | 0 | 0 | 114.4 | I35 K36 N81 E82 | I35-Q85 HydrophobicContact CG2-CG 3.92Å; K36-Q85 PolarHBondContact NZ-O 3.3Å; K36-Q85 PolarHBondContact O-NE2 3.22Å; N81-Q85 PolarHBondContact O-N 2.96Å; E82-Q85 PolarHBondContact O-NE2 2.82Å |
| 86 | K | 91.8 | Very high | 82.5 | Confident | 115 Ų | 115 | 88.6 Ų | 88.6 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 160.3 | -176.1 | 70.3 | -170.2 | 179 | -172.7 | 0 | 112.7 | N81 E84 V88 | N81-K86 PolarHBondContact N-O 2.96Å; E84-K86 HydrophobicContact CB-CD 4.26Å; E84-K86 HydrophobicContact CB-CG 3.83Å; E84-K86 WeakPolarHBondContact O-CG 3.15Å; E84-K86 PolarHBondContact O-N 3.02Å; E84-K86 VanDerWaalsContact O-N 3.11Å; E84-K86 WeakPolarHBondContact OE2-CE 3.22Å; E84-K86 IonicContact OE2-NZ 2.64Å; K86-V88 HydrophobicContact CG-CG1 3.94Å |
| 87 | C | 93.5 | Very high | 81 | Confident | 31 Ų | 31 | 85 Ų | 85 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.4 | 170.4 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | C73 E78 | C73-C87 WeakPolarHBondContact CA-SG 3.22Å; C73-C87 HydrophobicContact CB-CB 3.61Å; C73-C87 WeakPolarHBondContact CB-SG 3.47Å; C73-C87 WeakPolarHBondContact SG-CB 3.47Å; C73-C87 CovalentContact SG-SG 2.04Å; C73-C87 PolarHBondContact SG-SG 3.38Å; E78-C87 HydrophobicContact CB-CB 4.2Å |
| 88 | V | 92.6 | Very high | 79.7 | Confident | 13 Ų | 13 | 84.7 Ų | 84.7 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.4 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | E78 E79 N81 E84 K86 R90 L93 | E78-V88 CarbonylContact C-O 3.53Å; E78-V88 VanDerWaalsContact CA-O 3.28Å; E78-V88 WeakPolarHBondContact CA-O 3.5Å; E79-V88 PolarHBondContact N-O 3.2Å; E79-V88 PolarHBondContact O-N 2.88Å; N81-V88 HydrophobicContact CB-CG1 4.08Å; N81-V88 HydrophobicContact CB-CG2 3.75Å; E84-V88 VanDerWaalsContact OE2-CG1 3.28Å; E84-V88 WeakPolarHBondContact OE2-CG1 3.39Å; K86-V88 HydrophobicContact CG-CG1 3.94Å; V88-R90 PolarHBondContact O-N 3.34Å; V88-L93 HydrophobicContact CG2-CD1 3.37Å; V88-L93 HydrophobicContact CG2-CD2 4.5Å; V88-L93 HydrophobicContact CG2-CG 3.68Å |
| 89 | K | 90.7 | Very high | 78.5 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.1 | 177.2 | -64.8 | -178.1 | 179 | -179.3 | 0 | 110.9 | E78 Q91 K92 | E78-K89 HydrophobicContact CG-CG 4.23Å; K89-Q91 PolarHBondContact O-N 2.04Å; K89-K92 WeakPolarHBondContact O-CB 3.26Å; K89-K92 PolarHBondContact O-N 3.12Å |
| 90 | R | 83.9 | Confident | 77.6 | Confident | 115 Ų | 115 | 95.2 Ų | 95.2 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -45.2 | -39.6 | -178.8 | -82.1 | -178.3 | 171.1 | 168.2 | 8.6 | 115 | R77 E79 V88 K92 L93 | R77-R90 WeakPolarHBondContact O-CG 2.97Å; R77-R90 PolarHBondContact O-N 3.4Å; E79-R90 HydrophobicContact CB-CG 4.47Å; E79-R90 VanDerWaalsContact CD-CG 3.46Å; E79-R90 HydrophobicContact CG-CG 3.59Å; E79-R90 IonicContact OE1-CZ 3.53Å; E79-R90 IonicContact OE1-NE 3.81Å; E79-R90 PolarHBondContact OE1-NE 2.02Å; E79-R90 IonicContact OE1-NH2 3.82Å; V88-R90 PolarHBondContact O-N 3.34Å; R90-K92 PolarHBondContact O-N 3.31Å; R90-L93 PolarHBondContact O-N 2.97Å |
| 91 | Q | 80 | Confident | 77.3 | Confident | 179 Ų | 179 | 94.7 Ų | 94.7 | 84% | 0.836 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -29.5 | 179.6 | -71.6 | 179.7 | -7.1 | 0 | 0 | 113.2 | K89 | K89-Q91 PolarHBondContact O-N 2.04Å |
| 92 | K | 73.3 | Confident | 77.1 | Confident | 131 Ų | 131 | 101.8 Ų | 101.8 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74.8 | -36.1 | 177.7 | -70.8 | -170.3 | 175.3 | -176.5 | 0 | 111.9 | K89 R90 K94 K95 Y96 | K89-K92 WeakPolarHBondContact O-CB 3.26Å; K89-K92 PolarHBondContact O-N 3.12Å; R90-K92 PolarHBondContact O-N 3.31Å; K92-K94 PolarHBondContact O-N 2.98Å; K92-K95 PolarHBondContact O-N 3.15Å; K92-K95 VanDerWaalsContact O-N 3.17Å; K92-Y96 HydrophobicContact CB-CE2 4.24Å; K92-Y96 WeakPolarHBondContact O-CD2 3.35Å; K92-Y96 WeakPolarHBondContact O-CE2 3.4Å |
| 93 | L | 65.7 | Low | 77.1 | Confident | 40 Ų | 40 | 100.9 Ų | 100.9 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | -178.4 | -87.2 | 132.3 | 0 | 0 | 0 | 113.3 | E79 V88 R90 K95 Y96 | E79-L93 HydrophobicContact CB-CD1 3.47Å; E79-L93 VanDerWaalsContact CB-CD1 3.47Å; E79-L93 HydrophobicContact CG-CD1 4.41Å; V88-L93 HydrophobicContact CG2-CD1 3.37Å; V88-L93 HydrophobicContact CG2-CD2 4.5Å; V88-L93 HydrophobicContact CG2-CG 3.68Å; R90-L93 PolarHBondContact O-N 2.97Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.12Å; L93-Y96 CarbonylContact O-C 3.55Å; L93-Y96 VanDerWaalsContact O-C 3.23Å; L93-Y96 WeakPolarHBondContact O-CA 2.99Å; L93-Y96 PolarHBondContact O-N 3.17Å; L93-Y96 VanDerWaalsContact O-O 3.07Å |
| 94 | K | 64.1 | Low | 77.6 | Confident | 196 Ų | 196 | 102.5 Ų | 102.5 | 85% | 0.852 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.9 | 178.1 | -74.2 | -171.9 | 176.5 | -175 | 0 | 113.5 | K92 | K92-K94 PolarHBondContact O-N 2.98Š|
| 95 | K | 62.1 | Low | 77.8 | Confident | 175 Ų | 175 | 106.9 Ų | 106.9 | 76% | 0.761 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -24.4 | 177.4 | -160.6 | 171.4 | -175.1 | 176 | 0 | 112.5 | K92 L93 | K92-K95 PolarHBondContact O-N 3.15Å; K92-K95 VanDerWaalsContact O-N 3.17Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.12Å |
| 96 | Y | 58.6 | Low | 77.8 | Confident | 84 Ų | 84 | 112.3 Ų | 112.3 | 33% | 0.329 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -100.1 | 72.2 | 173.5 | -54 | -72.6 | 0 | 0 | 0 | 108.5 | K92 L93 | K92-Y96 HydrophobicContact CB-CE2 4.24Å; K92-Y96 WeakPolarHBondContact O-CD2 3.35Å; K92-Y96 WeakPolarHBondContact O-CE2 3.4Å; L93-Y96 CarbonylContact O-C 3.55Å; L93-Y96 VanDerWaalsContact O-C 3.23Å; L93-Y96 WeakPolarHBondContact O-CA 2.99Å; L93-Y96 PolarHBondContact O-N 3.17Å; L93-Y96 VanDerWaalsContact O-O 3.07Å |
| 97 | G | 58.9 | Low | 77.5 | Confident | 46 Ų | 46 | 109.5 Ų | 109.5 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | trans | -48.5 | 158.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R99 | G97-R99 WeakPolarHBondContact O-CG 3.32Å; G97-R99 PolarHBondContact O-N 2.93Å | ||
| 98 | K | 62.6 | Low | 77 | Confident | 194 Ų | 194 | 112 Ų | 112 | 84% | 0.843 | 51% | 0.514 | S | S | * | . | trans | -53.1 | 78.5 | -179 | -67.5 | -180 | 179.6 | 179.9 | 0 | 111.6 | R100 | K98-R100 PolarHBondContact O-N 3.05Å; K98-R100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | R | 68.9 | Low | 76.8 | Confident | 152 Ų | 152 | 116.4 Ų | 116.4 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | trans | -79.4 | 101.1 | 178.8 | -75.9 | -173.7 | -175.8 | -146.9 | 0.4 | 104.6 | G97 Y145 | G97-R99 WeakPolarHBondContact O-CG 3.32Å; G97-R99 PolarHBondContact O-N 2.93Å; R99-Y145 HydrophobicContact CB-CD1 4.29Å; R99-Y145 HydrophobicContact CB-CD2 3.89Å; R99-Y145 HydrophobicContact CB-CE1 4.06Å; R99-Y145 HydrophobicContact CB-CE2 3.61Å; R99-Y145 HydrophobicContact CB-CG 4.23Å; R99-Y145 HydrophobicContact CG-CE2 4.3Å; R99-Y145 VanDerWaalsContact O-CD1 3.25Å; R99-Y145 WeakPolarHBondContact O-CD1 3.4Å | ||
| 100 | R | 74.8 | Confident | 76.6 | Confident | 142 Ų | 142 | 110.9 Ų | 110.9 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | trans | -59.7 | 155.5 | 169 | -68.9 | -173.1 | 177.1 | -169.9 | -1.7 | 109.3 | K98 Y102 P218 | K98-R100 PolarHBondContact O-N 3.05Å; K98-R100 VanDerWaalsContact O-N 3.1Å; R100-Y102 HydrophobicContact CB-CE2 4.14Å; R100-Y102 WeakPolarHBondContact O-CD2 3.07Å; R100-Y102 WeakPolarHBondContact O-CE2 3.37Å; R100-Y102 PolarHBondContact O-N 3.44Å; R100-P218 VanDerWaalsContact NH1-CB 3.28Å | ||
| 101 | C | 84.4 | Confident | 76.7 | Confident | 5 Ų | 5 | 111.2 Ų | 111.2 | 3% | 0.034 | 52% | 0.523 | C | S | . | . | trans | -64.3 | 125.8 | 165.7 | -178 | 0 | 0 | 0 | 0 | 109.4 | F109 F116 D118 Y145 C146 | C101-F109 HydrophobicContact CB-CE1 4.22Å; C101-F109 HydrophobicContact CB-CZ 4.08Å; C101-F109 WeakPolarHBondContact O-CZ 3.03Å; C101-F116 WeakPolarHBondContact SG-CE1 3.21Å; C101-F116 WeakPolarHBondContact SG-CZ 3.25Å; C101-D118 HydrophobicContact CB-CB 3.57Å; C101-D118 VanDerWaalsContact CB-OD2 3.29Å; C101-D118 WeakPolarHBondContact CB-OD2 3.44Å; C101-D118 PolarHBondContact N-OD2 2.82Å; C101-Y145 WeakPolarHBondContact CB-O 3.22Å; C101-C146 WeakPolarHBondContact CA-SG 3.05Å; C101-C146 HydrophobicContact CB-CB 4.18Å; C101-C146 WeakPolarHBondContact CB-SG 3.45Å; C101-C146 WeakPolarHBondContact SG-CA 3.38Å; C101-C146 WeakPolarHBondContact SG-CB 3.19Å; C101-C146 CovalentContact SG-SG 2.03Å; C101-C146 PolarHBondContact SG-SG 3.28Å | ||
| 102 | Y | 84.5 | Confident | 77 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -114.8 | 113.9 | 175.4 | -68.2 | -78.8 | 0 | 0 | 0 | 109.2 | R100 R143 | R100-Y102 HydrophobicContact CB-CE2 4.14Å; R100-Y102 WeakPolarHBondContact O-CD2 3.07Å; R100-Y102 WeakPolarHBondContact O-CE2 3.37Å; R100-Y102 PolarHBondContact O-N 3.44Å; Y102-R143 PolarHBondContact O-NH1 2.8Å | ||
| 103 | P | 83.7 | Confident | 77.6 | Confident | 44 Ų | 44 | 102.4 Ų | 102.4 | 29% | 0.286 | 49% | 0.493 | S | S | . | . | trans | -63.7 | 149.8 | 173.2 | 27.8 | -31.9 | 0 | 0 | 0 | 109.4 | E107 F109 F116 | P103-E107 HydrophobicContact CB-CB 3.82Å; P103-E107 WeakPolarHBondContact CB-O 3.48Å; P103-F109 HydrophobicContact CG-CD2 4.16Å; P103-F109 HydrophobicContact CG-CE2 3.85Å; P103-F109 HydrophobicContact CG-CZ 4.42Å; P103-F116 VanDerWaalsContact CA-CE1 3.4Å; P103-F116 HydrophobicContact CB-CD1 3.84Å; P103-F116 HydrophobicContact CB-CE1 3.72Å | ||
| 104 | R | 85.3 | Confident | 78.6 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | trans | -62.8 | 161.5 | 167.7 | -67.2 | -178.4 | 174.3 | -170.8 | -2.1 | 109.6 | Y106 E107 R143 | R104-Y106 HydrophobicContact CB-CD1 3.91Å; R104-Y106 HydrophobicContact CB-CD2 4.5Å; R104-Y106 HydrophobicContact CB-CE1 3.64Å; R104-Y106 HydrophobicContact CB-CE2 4.24Å; R104-Y106 HydrophobicContact CB-CG 4.36Å; R104-Y106 WeakPolarHBondContact CD-OH 3.21Å; R104-Y106 HydrophobicContact CG-CE1 4.19Å; R104-Y106 PolarHBondContact NH1-OH 3.48Å; R104-Y106 PolarHBondContact O-N 2.83Å; R104-E107 HydrophobicContact CB-CB 4.3Å; R104-E107 HydrophobicContact CB-CG 4.03Å; R104-E107 WeakPolarHBondContact CG-OE2 3.48Å; R104-E107 PolarHBondContact N-OE2 2.81Å; R104-E107 PolarHBondContact O-N 3.35Å; R104-R143 VanDerWaalsContact CG-CZ 3.47Å | ||
| 105 | P | 86.9 | Confident | 79.8 | Confident | 143 Ų | 143 | 97.1 Ų | 97.1 | 93% | 0.929 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.7 | 177.8 | -28.4 | 35.8 | 0 | 0 | 0 | 115.2 | ||
| 106 | Y | 86.4 | Confident | 81.2 | Confident | 162 Ų | 162 | 89.6 Ų | 89.6 | 64% | 0.635 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.4 | 177.8 | 61 | -98.9 | 0 | 0 | 0 | 113.8 | R104 | R104-Y106 HydrophobicContact CB-CD1 3.91Å; R104-Y106 HydrophobicContact CB-CD2 4.5Å; R104-Y106 HydrophobicContact CB-CE1 3.64Å; R104-Y106 HydrophobicContact CB-CE2 4.24Å; R104-Y106 HydrophobicContact CB-CG 4.36Å; R104-Y106 WeakPolarHBondContact CD-OH 3.21Å; R104-Y106 HydrophobicContact CG-CE1 4.19Å; R104-Y106 PolarHBondContact NH1-OH 3.48Å; R104-Y106 PolarHBondContact O-N 2.83Å |
| 107 | E | 85.9 | Confident | 82.7 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | trans | -102.9 | 143.8 | 175.2 | -68.1 | 164.8 | -177.7 | 0 | 0 | 107.8 | P103 R104 R143 | P103-E107 HydrophobicContact CB-CB 3.82Å; P103-E107 WeakPolarHBondContact CB-O 3.48Å; R104-E107 HydrophobicContact CB-CB 4.3Å; R104-E107 HydrophobicContact CB-CG 4.03Å; R104-E107 WeakPolarHBondContact CG-OE2 3.48Å; R104-E107 PolarHBondContact N-OE2 2.81Å; R104-E107 PolarHBondContact O-N 3.35Å; E107-R143 IonicContact OE2-CZ 3.39Å; E107-R143 IonicContact OE2-NH1 3.55Å; E107-R143 PolarHBondContact OE2-NH1 3.34Å | ||
| 108 | S | 84.2 | Confident | 84.2 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 57% | 0.573 | 41% | 0.409 | S | S | * | . | trans | -126.5 | 148.9 | 168.7 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | A110 | S108-A110 PolarHBondContact O-N 3.13Å; S108-A110 VanDerWaalsContact O-N 3.11Å | ||
| 109 | F | 87.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 76 Ų | 76 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -59.2 | 119 | 163.7 | -68 | -71.9 | 0 | 0 | 0 | 107.6 | C101 P103 F116 D118 | C101-F109 HydrophobicContact CB-CE1 4.22Å; C101-F109 HydrophobicContact CB-CZ 4.08Å; C101-F109 WeakPolarHBondContact O-CZ 3.03Å; P103-F109 HydrophobicContact CG-CD2 4.16Å; P103-F109 HydrophobicContact CG-CE2 3.85Å; P103-F109 HydrophobicContact CG-CZ 4.42Å; F109-F116 WeakPolarHBondContact CA-O 3.4Å; F109-F116 AromaticContact CD1-CD1 3.89Å; F109-F116 HydrophobicContact CD1-CD1 3.89Å; F109-F116 AromaticContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CE1 4.02Å; F109-F116 HydrophobicContact CZ-CD1 4.29Å; F109-F116 HydrophobicContact CZ-CE1 4.29Å; F109-D118 HydrophobicContact CE1-CB 3.96Å; F109-D118 HydrophobicContact CZ-CB 4.42Å |
| 110 | A | 85.7 | Confident | 85.8 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | trans | -131.7 | 129.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S108 T112 F116 W149 | S108-A110 PolarHBondContact O-N 3.13Å; S108-A110 VanDerWaalsContact O-N 3.11Å; A110-T112 WeakPolarHBondContact CB-OG1 3.04Å; A110-T112 PolarHBondContact O-N 2.85Å; A110-F116 PolarHBondContact N-O 3.35Å; A110-W149 PolarHBondContact O-NE1 3.37Å | ||
| 111 | L | 86.5 | Confident | 86.1 | Confident | 121 Ų | 121 | 66.9 Ų | 66.9 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -82.7 | 44.5 | 175.6 | -55.1 | 174.8 | 0 | 0 | 0 | 110.2 | M125 | L111-M125 HydrophobicContact CB-CE 4.21Å; L111-M125 HydrophobicContact CD2-CE 3.43Å; L111-M125 VanDerWaalsContact CD2-CE 3.43Å; L111-M125 HydrophobicContact CD2-SD 3.53Å; L111-M125 VanDerWaalsContact CD2-SD 3.53Å; L111-M125 HydrophobicContact CG-CE 4.39Å |
| 112 | T | 87.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 68 Ų | 68 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -123.3 | 160.8 | -176.9 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | A110 N114 G115 W149 | A110-T112 WeakPolarHBondContact CB-OG1 3.04Å; A110-T112 PolarHBondContact O-N 2.85Å; T112-N114 PolarHBondContact O-N 2.98Å; T112-G115 WeakPolarHBondContact O-CA 3.21Å; T112-G115 PolarHBondContact O-N 3.39Å; T112-W149 WeakPolarHBondContact O-CB 3.3Å |
| 113 | P | 86 | Confident | 86.2 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 136.3 | 175.8 | -14.6 | 31.7 | 0 | 0 | 0 | 108.6 | G115 Y127 | P113-G115 PolarHBondContact O-N 3Å; P113-G115 VanDerWaalsContact O-N 3.13Å; P113-Y127 HydrophobicContact CB-CE2 4.08Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.37Å |
| 114 | N | 86.8 | Confident | 86.5 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 3.8 | -171.8 | -49.9 | -47.9 | 0 | 0 | 0 | 115.6 | T112 W149 | T112-N114 PolarHBondContact O-N 2.98Å; N114-W149 VanDerWaalsContact CA-O 3.28Å; N114-W149 WeakPolarHBondContact CA-O 3.42Å; N114-W149 PolarHBondContact N-O 2.92Å |
| 115 | G | 88.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | trans | -62.5 | 150.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T112 P113 Q148 W149 | T112-G115 WeakPolarHBondContact O-CA 3.21Å; T112-G115 PolarHBondContact O-N 3.39Å; P113-G115 PolarHBondContact O-N 3Å; P113-G115 VanDerWaalsContact O-N 3.13Å; G115-Q148 CarbonylContact O-C 3.55Å; G115-Q148 WeakPolarHBondContact O-CA 3.5Å; G115-W149 PolarHBondContact O-N 3.22Å | ||
| 116 | F | 90.9 | Very high | 86.9 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140.6 | 179.2 | -166.5 | -110.9 | 0 | 0 | 0 | 111 | C101 P103 F109 A110 C146 | C101-F116 WeakPolarHBondContact SG-CE1 3.21Å; C101-F116 WeakPolarHBondContact SG-CZ 3.25Å; P103-F116 VanDerWaalsContact CA-CE1 3.4Å; P103-F116 HydrophobicContact CB-CD1 3.84Å; P103-F116 HydrophobicContact CB-CE1 3.72Å; F109-F116 WeakPolarHBondContact CA-O 3.4Å; F109-F116 AromaticContact CD1-CD1 3.89Å; F109-F116 HydrophobicContact CD1-CD1 3.89Å; F109-F116 AromaticContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CE1 4.02Å; F109-F116 HydrophobicContact CZ-CD1 4.29Å; F109-F116 HydrophobicContact CZ-CE1 4.29Å; A110-F116 PolarHBondContact N-O 3.35Å; F116-C146 HydrophobicContact CD2-CB 4.34Å; F116-C146 HydrophobicContact CE1-CB 3.95Å; F116-C146 HydrophobicContact CE2-CB 3.39Å; F116-C146 HydrophobicContact CZ-CB 3.19Å; F116-C146 WeakPolarHBondContact CZ-SG 3.08Å |
| 117 | C | 91.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 151.4 | -175.4 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | S122 C137 C146 G147 Q148 W149 | C117-S122 WeakPolarHBondContact CB-OG 2.88Å; C117-C137 HydrophobicContact CB-CB 3.82Å; C117-C137 WeakPolarHBondContact CB-SG 3.32Å; C117-C137 WeakPolarHBondContact SG-CA 3.37Å; C117-C137 WeakPolarHBondContact SG-CB 3.41Å; C117-C137 CovalentContact SG-SG 2.02Å; C117-C137 PolarHBondContact SG-SG 2.94Å; C117-C146 WeakPolarHBondContact O-CA 3.37Å; C117-G147 PolarHBondContact N-O 3.22Å; C117-G147 PolarHBondContact O-N 2.04Å; C117-G147 VanDerWaalsContact SG-CA 3.55Å; C117-G147 PolarHBondContact SG-O 2.87Å; C117-Q148 PolarHBondContact SG-N 3.23Å; C117-Q148 VanDerWaalsContact SG-N 3.38Å; C117-W149 HydrophobicContact CB-CD2 3.98Å; C117-W149 VanDerWaalsContact CB-CE2 3.43Å; C117-W149 HydrophobicContact CB-CG 4.14Å; C117-W149 HydrophobicContact CB-CZ2 3.85Å; C117-W149 VanDerWaalsContact CB-NE1 3.33Å |
| 118 | D | 89.1 | Confident | 87.4 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.4 | 174.2 | -175.8 | -32.1 | 0 | 0 | 0 | 109 | C101 F109 S120 T121 S122 | C101-D118 HydrophobicContact CB-CB 3.57Å; C101-D118 VanDerWaalsContact CB-OD2 3.29Å; C101-D118 WeakPolarHBondContact CB-OD2 3.44Å; C101-D118 PolarHBondContact N-OD2 2.82Å; F109-D118 HydrophobicContact CE1-CB 3.96Å; F109-D118 HydrophobicContact CZ-CB 4.42Å; D118-S120 PolarHBondContact O-N 3.26Å; D118-S120 WeakPolarHBondContact OD1-CB 3.37Å; D118-S120 PolarHBondContact OD1-N 2.79Å; D118-S120 PolarHBondContact OD1-OG 3.15Å; D118-T121 WeakPolarHBondContact CB-OG1 3.38Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.41Å; D118-S122 VanDerWaalsContact C-OG 3.32Å; D118-S122 PolarHBondContact N-OG 2.84Å; D118-S122 WeakPolarHBondContact O-CB 3.36Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.73Å |
| 119 | L | 86.1 | Confident | 87.7 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -30.4 | -176.1 | -80.1 | 140.7 | 0 | 0 | 0 | 113.8 | I35 P139 C146 | I35-L119 HydrophobicContact CD1-CD2 3.88Å; L119-P139 HydrophobicContact CD1-CB 4.12Å; L119-P139 HydrophobicContact CD2-CB 4.08Å; L119-C146 WeakPolarHBondContact CD1-O 2.94Å |
| 120 | S | 78.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20 | -176.9 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | D118 | D118-S120 PolarHBondContact O-N 3.26Å; D118-S120 WeakPolarHBondContact OD1-CB 3.37Å; D118-S120 PolarHBondContact OD1-N 2.79Å; D118-S120 PolarHBondContact OD1-OG 3.15Å |
| 121 | T | 81.5 | Confident | 88.2 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -13.7 | -177.6 | 61.3 | 0 | 0 | 0 | 0 | 113 | D118 S123 | D118-T121 WeakPolarHBondContact CB-OG1 3.38Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.41Å; T121-S123 PolarHBondContact O-N 2.84Å |
| 122 | S | 85.5 | Confident | 88.5 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -79.9 | 104.6 | -174.1 | -64 | 0 | 0 | 0 | 0 | 111.3 | C117 D118 W149 | C117-S122 WeakPolarHBondContact CB-OG 2.88Å; D118-S122 VanDerWaalsContact C-OG 3.32Å; D118-S122 PolarHBondContact N-OG 2.84Å; D118-S122 WeakPolarHBondContact O-CB 3.36Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.73Å; S122-W149 VanDerWaalsContact CB-CH2 3.48Å | ||
| 123 | S | 84.8 | Confident | 88.8 | Confident | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -80.3 | 169.1 | 168.1 | 59 | 0 | 0 | 0 | 0 | 112.1 | T121 M125 W149 Q165 | T121-S123 PolarHBondContact O-N 2.84Å; S123-M125 WeakPolarHBondContact O-CG 3.45Å; S123-M125 PolarHBondContact O-N 2.79Å; S123-W149 WeakPolarHBondContact O-CH2 3.37Å; S123-W149 WeakPolarHBondContact O-CZ3 3.12Å; S123-Q165 VanDerWaalsContact CB-NE2 3.28Å | ||
| 124 | L | 89.9 | Confident | 89.1 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -61.8 | 138.9 | 169.6 | -60.5 | -178.2 | 0 | 0 | 0 | 110.1 | N31 E34 Y134 Q136 F160 Q165 | N31-L124 HydrophobicContact CB-CD1 4.01Å; E34-L124 HydrophobicContact CG-CD1 3.81Å; E34-L124 HydrophobicContact CG-CG 4.21Å; L124-Y134 HydrophobicContact CB-CD2 4.38Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 4.07Å; L124-Y134 HydrophobicContact CD2-CD2 3.87Å; L124-Y134 HydrophobicContact CD2-CE2 3.71Å; L124-Y134 HydrophobicContact CG-CD2 4.41Å; L124-Y134 HydrophobicContact CG-CE2 4.43Å; L124-Q136 HydrophobicContact CD2-CB 3.7Å; L124-Q136 HydrophobicContact CD2-CG 3.67Å; L124-F160 HydrophobicContact CB-CE2 3.91Å; L124-F160 HydrophobicContact CB-CZ 3.51Å; L124-F160 HydrophobicContact CD1-CE2 4.1Å; L124-Q165 HydrophobicContact CB-CB 4.2Å; L124-Q165 HydrophobicContact CB-CG 4.39Å; L124-Q165 HydrophobicContact CD1-CB 4.32Å; L124-Q165 WeakPolarHBondContact CD1-O 3.19Å | ||
| 125 | M | 90 | Very high | 89.5 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.4 | -176.2 | -60 | -167.6 | -48.3 | 0 | 0 | 111.5 | L111 S123 Y134 M135 W149 | L111-M125 HydrophobicContact CB-CE 4.21Å; L111-M125 HydrophobicContact CD2-CE 3.43Å; L111-M125 VanDerWaalsContact CD2-CE 3.43Å; L111-M125 HydrophobicContact CD2-SD 3.53Å; L111-M125 VanDerWaalsContact CD2-SD 3.53Å; L111-M125 HydrophobicContact CG-CE 4.39Å; S123-M125 WeakPolarHBondContact O-CG 3.45Å; S123-M125 PolarHBondContact O-N 2.79Å; M125-Y134 CarbonylContact O-C 3.58Å; M125-Y134 WeakPolarHBondContact O-CA 3.38Å; M125-Y134 WeakPolarHBondContact O-CB 3.3Å; M125-M135 HydrophobicContact CB-CB 4.48Å; M125-M135 HydrophobicContact CB-CE 4.5Å; M125-M135 HydrophobicContact CE-CE 3.96Å; M125-M135 PolarHBondContact N-O 2.99Å; M125-M135 PolarHBondContact O-N 2.9Å; M125-W149 HydrophobicContact CE-CD2 3.62Å; M125-W149 HydrophobicContact CE-CE3 3.8Å; M125-W149 HydrophobicContact CE-CG 4.44Å; M125-W149 HydrophobicContact CE-CH2 3.32Å; M125-W149 HydrophobicContact CE-CZ2 3.13Å; M125-W149 HydrophobicContact CE-CZ3 3.66Å; M125-W149 HydrophobicContact CG-CH2 3.77Å; M125-W149 HydrophobicContact CG-CZ2 4.42Å; M125-W149 HydrophobicContact CG-CZ3 4.08Å; M125-W149 HydrophobicContact SD-CH2 3.61Å; M125-W149 HydrophobicContact SD-CZ2 3.66Å; M125-W149 HydrophobicContact SD-CZ3 4.32Å |
| 126 | P | 91.4 | Very high | 89.6 | Confident | 59 Ų | 59 | 35.4 Ų | 35.4 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 143.5 | 174.8 | 29.5 | -34.8 | 0 | 0 | 0 | 110.5 | F160 F162 | P126-F160 HydrophobicContact CB-CD1 4.25Å; P126-F162 HydrophobicContact CG-CB 4.42Å |
| 127 | Y | 92.7 | Very high | 89.7 | Confident | 56 Ų | 56 | 34.7 Ų | 34.7 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | trans | -85.6 | 125.7 | 170.3 | -167.5 | -112.6 | 0 | 0 | 0 | 109.3 | P113 S129 S130 T133 M135 | P113-Y127 HydrophobicContact CB-CE2 4.08Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.37Å; Y127-S129 VanDerWaalsContact CD1-OG 3.32Å; Y127-S129 WeakPolarHBondContact CD1-OG 3.5Å; Y127-S129 WeakPolarHBondContact CE1-OG 3.41Å; Y127-S129 PolarHBondContact O-N 3.15Å; Y127-S130 PolarHBondContact O-N 2.97Å; Y127-T133 WeakPolarHBondContact CB-O 3.45Å; Y127-T133 WeakPolarHBondContact CB-OG1 3.43Å; Y127-T133 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T133 PolarHBondContact N-O 2.97Å; Y127-M135 HydrophobicContact CD2-CG 3.62Å; Y127-M135 HydrophobicContact CD2-SD 3.92Å; Y127-M135 HydrophobicContact CE2-CG 4.4Å; Y127-M135 HydrophobicContact CE2-SD 4.39Å | ||
| 128 | S | 89.4 | Confident | 89.6 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.1 | -171.8 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 129 | S | 90.4 | Very high | 89.5 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 57% | 0.573 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.5 | -174.7 | 83.6 | 0 | 0 | 0 | 0 | 114.8 | Y127 | Y127-S129 VanDerWaalsContact CD1-OG 3.32Å; Y127-S129 WeakPolarHBondContact CD1-OG 3.5Å; Y127-S129 WeakPolarHBondContact CE1-OG 3.41Å; Y127-S129 PolarHBondContact O-N 3.15Å |
| 130 | S | 92.9 | Very high | 89.4 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | trans | -155.8 | 124.5 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | Y127 A132 T133 | Y127-S130 PolarHBondContact O-N 2.97Å; S130-A132 PolarHBondContact O-N 3.34Å; S130-A132 PolarHBondContact OG-N 3.07Å; S130-T133 VanDerWaalsContact CB-OG1 3.25Å; S130-T133 WeakPolarHBondContact CB-OG1 2.95Å; S130-T133 PolarHBondContact O-N 2.78Å; S130-T133 VanDerWaalsContact O-N 3.15Å; S130-T133 VanDerWaalsContact O-O 3.08Å; S130-T133 PolarHBondContact O-OG1 3.12Å | ||
| 131 | P | 91.6 | Very high | 89.4 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.1 | 176.1 | 30.8 | -35.7 | 0 | 0 | 0 | 112.5 | T133 I159 F160 | P131-T133 PolarHBondContact O-N 2.72Å; P131-I159 HydrophobicContact CB-CG2 4.02Å; P131-I159 CarbonylContact O-C 3.46Å; P131-I159 WeakPolarHBondContact O-CA 3.31Å; P131-F160 PolarHBondContact O-N 3.46Å |
| 132 | A | 92.6 | Very high | 89 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S130 C154 G158 | S130-A132 PolarHBondContact O-N 3.34Å; S130-A132 PolarHBondContact OG-N 3.07Å; A132-C154 WeakPolarHBondContact O-CB 3.04Å; A132-C154 PolarHBondContact O-N 2.93Å; A132-G158 WeakPolarHBondContact CA-O 3.27Å; A132-G158 WeakPolarHBondContact CB-O 3.37Å |
| 133 | T | 93.3 | Very high | 88.6 | Confident | 26 Ų | 26 | 53 Ų | 53 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.1 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 109.7 | Y127 S130 P131 R152 P153 | Y127-T133 WeakPolarHBondContact CB-O 3.45Å; Y127-T133 WeakPolarHBondContact CB-OG1 3.43Å; Y127-T133 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T133 PolarHBondContact N-O 2.97Å; S130-T133 VanDerWaalsContact CB-OG1 3.25Å; S130-T133 WeakPolarHBondContact CB-OG1 2.95Å; S130-T133 PolarHBondContact O-N 2.78Å; S130-T133 VanDerWaalsContact O-N 3.15Å; S130-T133 VanDerWaalsContact O-O 3.08Å; S130-T133 PolarHBondContact O-OG1 3.12Å; P131-T133 PolarHBondContact O-N 2.72Å; T133-R152 WeakPolarHBondContact CA-O 3.28Å; T133-P153 HydrophobicContact CG2-CB 4.45Å |
| 134 | Y | 93.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.6 | 175.6 | 66.3 | -85.1 | 0 | 0 | 0 | 110 | N31 N33 L124 M125 Q136 S151 R152 F160 | N31-Y134 PolarHBondContact ND2-OH 3.16Å; N33-Y134 PolarHBondContact ND2-OH 3.07Å; N33-Y134 VanDerWaalsContact ND2-OH 3.17Å; L124-Y134 HydrophobicContact CB-CD2 4.38Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 4.07Å; L124-Y134 HydrophobicContact CD2-CD2 3.87Å; L124-Y134 HydrophobicContact CD2-CE2 3.71Å; L124-Y134 HydrophobicContact CG-CD2 4.41Å; L124-Y134 HydrophobicContact CG-CE2 4.43Å; M125-Y134 CarbonylContact O-C 3.58Å; M125-Y134 WeakPolarHBondContact O-CA 3.38Å; M125-Y134 WeakPolarHBondContact O-CB 3.3Å; Y134-Q136 HydrophobicContact CE2-CB 4.27Å; Y134-S151 CarbonylContact O-C 3.45Å; Y134-S151 WeakPolarHBondContact O-CA 3.34Å; Y134-R152 HydrophobicContact CD1-CB 4.16Å; Y134-R152 VanDerWaalsContact CD1-O 3.3Å; Y134-R152 WeakPolarHBondContact CD1-O 3.03Å; Y134-R152 HydrophobicContact CD2-CB 4.18Å; Y134-R152 HydrophobicContact CE1-CB 3.66Å; Y134-R152 HydrophobicContact CE2-CB 3.69Å; Y134-R152 HydrophobicContact CE2-CG 4.07Å; Y134-R152 HydrophobicContact CG-CB 4.4Å; Y134-R152 VanDerWaalsContact CZ-CB 3.4Å; Y134-R152 PolarHBondContact N-O 3.3Å; Y134-R152 PolarHBondContact O-N 3.29Å; Y134-F160 VanDerWaalsContact CB-CD2 3.49Å; Y134-F160 VanDerWaalsContact CB-CG 3.45Å; Y134-F160 AromaticContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CE2 4.48Å; Y134-F160 HydrophobicContact CD1-CG 4.46Å; Y134-F160 HydrophobicContact CD2-CD2 4.45Å; Y134-F160 HydrophobicContact CD2-CE2 4.24Å; Y134-F160 AromaticContact CG-CD2 3.72Å; Y134-F160 HydrophobicContact CG-CD2 3.72Å; Y134-F160 AromaticContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CG 4.18Å |
| 135 | M | 93.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.5 | 174.2 | -64.4 | -171.7 | -72.1 | 0 | 0 | 110.1 | M125 Y127 W149 M150 | M125-M135 HydrophobicContact CB-CB 4.48Å; M125-M135 HydrophobicContact CB-CE 4.5Å; M125-M135 HydrophobicContact CE-CE 3.96Å; M125-M135 PolarHBondContact N-O 2.99Å; M125-M135 PolarHBondContact O-N 2.9Å; Y127-M135 HydrophobicContact CD2-CG 3.62Å; Y127-M135 HydrophobicContact CD2-SD 3.92Å; Y127-M135 HydrophobicContact CE2-CG 4.4Å; Y127-M135 HydrophobicContact CE2-SD 4.39Å; M135-W149 HydrophobicContact CB-CD2 4.42Å; M135-W149 HydrophobicContact CB-CE3 3.75Å; M135-W149 HydrophobicContact CB-CZ3 4.38Å; M135-W149 HydrophobicContact SD-CB 4.41Å; M135-M150 WeakPolarHBondContact CA-O 3.41Å |
| 136 | Q | 92.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.7 | 174.3 | -178.1 | 176.5 | 10.1 | 0 | 0 | 109.8 | N33 L124 Y134 L138 W149 M150 R152 | N33-Q136 PolarHBondContact O-NE2 3.38Å; L124-Q136 HydrophobicContact CD2-CB 3.7Å; L124-Q136 HydrophobicContact CD2-CG 3.67Å; Y134-Q136 HydrophobicContact CE2-CB 4.27Å; Q136-L138 HydrophobicContact CG-CD2 3.85Å; Q136-L138 HydrophobicContact CG-CG 4.41Å; Q136-L138 PolarHBondContact O-N 2.02Å; Q136-W149 VanDerWaalsContact C-CE3 3.41Å; Q136-M150 PolarHBondContact N-O 3.49Å; Q136-M150 PolarHBondContact O-N 3.25Å; Q136-R152 HydrophobicContact CB-CG 4.17Å |
| 137 | C | 92 | Very high | 87.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 112 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | C117 W149 | C117-C137 HydrophobicContact CB-CB 3.82Å; C117-C137 WeakPolarHBondContact CB-SG 3.32Å; C117-C137 WeakPolarHBondContact SG-CA 3.37Å; C117-C137 WeakPolarHBondContact SG-CB 3.41Å; C117-C137 CovalentContact SG-SG 2.02Å; C117-C137 PolarHBondContact SG-SG 2.94Å; C137-W149 HydrophobicContact CB-CD2 4.41Å; C137-W149 HydrophobicContact CB-CE3 4.02Å; C137-W149 HydrophobicContact CB-CH2 4.09Å; C137-W149 HydrophobicContact CB-CZ2 4.45Å; C137-W149 HydrophobicContact CB-CZ3 3.87Å; C137-W149 VanDerWaalsContact N-CE3 3.32Å; C137-W149 VanDerWaalsContact N-CZ3 3.34Å |
| 138 | L | 89.5 | Confident | 87.6 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.9 | 178.5 | -67.5 | -168.3 | 0 | 0 | 0 | 111.6 | Q136 S140 G147 Q148 M150 | Q136-L138 HydrophobicContact CG-CD2 3.85Å; Q136-L138 HydrophobicContact CG-CG 4.41Å; Q136-L138 PolarHBondContact O-N 2.02Å; L138-S140 PolarHBondContact O-N 2.89Å; L138-G147 CarbonylContact O-C 3.23Å; L138-G147 WeakPolarHBondContact O-CA 3.39Å; L138-Q148 PolarHBondContact N-O 3.02Å; L138-Q148 PolarHBondContact O-N 3.14Å; L138-M150 HydrophobicContact CB-SD 4.09Å; L138-M150 HydrophobicContact CD1-CB 4.37Å; L138-M150 HydrophobicContact CD1-CE 3.29Å; L138-M150 HydrophobicContact CD1-CG 4.49Å; L138-M150 HydrophobicContact CD1-SD 3.6Å; L138-M150 VanDerWaalsContact CD1-SD 3.6Å; L138-M150 HydrophobicContact CG-CE 4.39Å; L138-M150 HydrophobicContact CG-SD 4.23Å |
| 139 | P | 87.1 | Confident | 87.7 | Confident | 92 Ų | 92 | 53 Ų | 53 | 60% | 0.597 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128.8 | -175.2 | 23.7 | -32.2 | 0 | 0 | 0 | 111.7 | L119 | L119-P139 HydrophobicContact CD1-CB 4.12Å; L119-P139 HydrophobicContact CD2-CB 4.08Å |
| 140 | S | 84.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -86.1 | 131.9 | 174.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L138 R142 R143 C146 | L138-S140 PolarHBondContact O-N 2.89Å; S140-R142 PolarHBondContact O-N 2.81Å; S140-R143 PolarHBondContact O-N 3.38Å; S140-R143 VanDerWaalsContact O-N 3.09Å; S140-C146 PolarHBondContact N-O 2Å | ||
| 141 | S | 77.4 | Confident | 87.8 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 87% | 0.874 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.1 | -178.4 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 142 | R | 74.1 | Confident | 87.9 | Confident | 202 Ų | 202 | 55.2 Ų | 55.2 | 76% | 0.762 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -18 | -175.2 | -62.1 | -174.9 | 177.7 | -170.4 | -1.7 | 113.9 | S140 | S140-R142 PolarHBondContact O-N 2.81Š|
| 143 | R | 77.4 | Confident | 87.9 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | trans | -146.1 | 111.6 | -167.8 | -68.4 | 179.2 | 167.3 | -143.6 | -30.5 | 111.4 | Y102 R104 E107 S140 Y145 C146 | Y102-R143 PolarHBondContact O-NH1 2.8Å; R104-R143 VanDerWaalsContact CG-CZ 3.47Å; E107-R143 IonicContact OE2-CZ 3.39Å; E107-R143 IonicContact OE2-NH1 3.55Å; E107-R143 PolarHBondContact OE2-NH1 3.34Å; S140-R143 PolarHBondContact O-N 3.38Å; S140-R143 VanDerWaalsContact O-N 3.09Å; R143-Y145 PolarHBondContact O-N 2.9Å; R143-Y145 VanDerWaalsContact O-N 3.09Å; R143-C146 HydrophobicContact CB-CB 3.78Å; R143-C146 PolarHBondContact O-N 2.89Å | ||
| 144 | R | 76.7 | Confident | 87.8 | Confident | 165 Ų | 165 | 57.1 Ų | 57.1 | 62% | 0.623 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.1 | -175.9 | -58.5 | -173.3 | -156.7 | -148.7 | 0.5 | 115.3 | ||
| 145 | Y | 80.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -6 | -174.3 | -55.7 | -75.4 | 0 | 0 | 0 | 112.9 | Y83 R99 C101 R143 | Y83-Y145 AromaticContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CD1 3.43Å; Y83-Y145 VanDerWaalsContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CE1 4.08Å; Y83-Y145 HydrophobicContact CD1-CG 4.47Å; Y83-Y145 HydrophobicContact CD2-CD1 4.21Å; Y83-Y145 HydrophobicContact CD2-CE1 4.03Å; Y83-Y145 AromaticContact CE1-CD1 3.84Å; Y83-Y145 HydrophobicContact CE1-CD1 3.84Å; Y83-Y145 AromaticContact CG-CD1 3.59Å; Y83-Y145 HydrophobicContact CG-CD1 3.59Å; Y83-Y145 AromaticContact CG-CE1 3.75Å; Y83-Y145 HydrophobicContact CG-CE1 3.75Å; R99-Y145 HydrophobicContact CB-CD1 4.29Å; R99-Y145 HydrophobicContact CB-CD2 3.89Å; R99-Y145 HydrophobicContact CB-CE1 4.06Å; R99-Y145 HydrophobicContact CB-CE2 3.61Å; R99-Y145 HydrophobicContact CB-CG 4.23Å; R99-Y145 HydrophobicContact CG-CE2 4.3Å; R99-Y145 VanDerWaalsContact O-CD1 3.25Å; R99-Y145 WeakPolarHBondContact O-CD1 3.4Å; C101-Y145 WeakPolarHBondContact CB-O 3.22Å; R143-Y145 PolarHBondContact O-N 2.9Å; R143-Y145 VanDerWaalsContact O-N 3.09Å |
| 146 | C | 88 | Confident | 87.2 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.8 | -172.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | C101 F116 C117 L119 S140 R143 | C101-C146 WeakPolarHBondContact CA-SG 3.05Å; C101-C146 HydrophobicContact CB-CB 4.18Å; C101-C146 WeakPolarHBondContact CB-SG 3.45Å; C101-C146 WeakPolarHBondContact SG-CA 3.38Å; C101-C146 WeakPolarHBondContact SG-CB 3.19Å; C101-C146 CovalentContact SG-SG 2.03Å; C101-C146 PolarHBondContact SG-SG 3.28Å; F116-C146 HydrophobicContact CD2-CB 4.34Å; F116-C146 HydrophobicContact CE1-CB 3.95Å; F116-C146 HydrophobicContact CE2-CB 3.39Å; F116-C146 HydrophobicContact CZ-CB 3.19Å; F116-C146 WeakPolarHBondContact CZ-SG 3.08Å; C117-C146 WeakPolarHBondContact O-CA 3.37Å; L119-C146 WeakPolarHBondContact CD1-O 2.94Å; S140-C146 PolarHBondContact N-O 2Å; R143-C146 HydrophobicContact CB-CB 3.78Å; R143-C146 PolarHBondContact O-N 2.89Å |
| 147 | G | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -176.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C117 L138 | C117-G147 PolarHBondContact N-O 3.22Å; C117-G147 PolarHBondContact O-N 2.04Å; C117-G147 VanDerWaalsContact SG-CA 3.55Å; C117-G147 PolarHBondContact SG-O 2.87Å; L138-G147 CarbonylContact O-C 3.23Å; L138-G147 WeakPolarHBondContact O-CA 3.39Å |
| 148 | Q | 91.7 | Very high | 86.6 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.9 | 164.4 | -71.1 | 174.6 | -39 | 0 | 0 | 108.9 | G115 C117 L138 M150 | G115-Q148 CarbonylContact O-C 3.55Å; G115-Q148 WeakPolarHBondContact O-CA 3.5Å; C117-Q148 PolarHBondContact SG-N 3.23Å; C117-Q148 VanDerWaalsContact SG-N 3.38Å; L138-Q148 PolarHBondContact N-O 3.02Å; L138-Q148 PolarHBondContact O-N 3.14Å; Q148-M150 PolarHBondContact O-N 3.12Å |
| 149 | W | 92.7 | Very high | 86.6 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 124 | 171.9 | -71.9 | 113.7 | 0 | 0 | 0 | 109.6 | A110 T112 N114 G115 C117 S122 S123 M125 M135 Q136 C137 | A110-W149 PolarHBondContact O-NE1 3.37Å; T112-W149 WeakPolarHBondContact O-CB 3.3Å; N114-W149 VanDerWaalsContact CA-O 3.28Å; N114-W149 WeakPolarHBondContact CA-O 3.42Å; N114-W149 PolarHBondContact N-O 2.92Å; G115-W149 PolarHBondContact O-N 3.22Å; C117-W149 HydrophobicContact CB-CD2 3.98Å; C117-W149 VanDerWaalsContact CB-CE2 3.43Å; C117-W149 HydrophobicContact CB-CG 4.14Å; C117-W149 HydrophobicContact CB-CZ2 3.85Å; C117-W149 VanDerWaalsContact CB-NE1 3.33Å; S122-W149 VanDerWaalsContact CB-CH2 3.48Å; S123-W149 WeakPolarHBondContact O-CH2 3.37Å; S123-W149 WeakPolarHBondContact O-CZ3 3.12Å; M125-W149 HydrophobicContact CE-CD2 3.62Å; M125-W149 HydrophobicContact CE-CE3 3.8Å; M125-W149 HydrophobicContact CE-CG 4.44Å; M125-W149 HydrophobicContact CE-CH2 3.32Å; M125-W149 HydrophobicContact CE-CZ2 3.13Å; M125-W149 HydrophobicContact CE-CZ3 3.66Å; M125-W149 HydrophobicContact CG-CH2 3.77Å; M125-W149 HydrophobicContact CG-CZ2 4.42Å; M125-W149 HydrophobicContact CG-CZ3 4.08Å; M125-W149 HydrophobicContact SD-CH2 3.61Å; M125-W149 HydrophobicContact SD-CZ2 3.66Å; M125-W149 HydrophobicContact SD-CZ3 4.32Å; M135-W149 HydrophobicContact CB-CD2 4.42Å; M135-W149 HydrophobicContact CB-CE3 3.75Å; M135-W149 HydrophobicContact CB-CZ3 4.38Å; M135-W149 HydrophobicContact SD-CB 4.41Å; Q136-W149 VanDerWaalsContact C-CE3 3.41Å; C137-W149 HydrophobicContact CB-CD2 4.41Å; C137-W149 HydrophobicContact CB-CE3 4.02Å; C137-W149 HydrophobicContact CB-CH2 4.09Å; C137-W149 HydrophobicContact CB-CZ2 4.45Å; C137-W149 HydrophobicContact CB-CZ3 3.87Å; C137-W149 VanDerWaalsContact N-CE3 3.32Å; C137-W149 VanDerWaalsContact N-CZ3 3.34Å |
| 150 | M | 92.2 | Very high | 86.8 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.7 | 173.1 | -73.5 | -179.5 | 29.6 | 0 | 0 | 109.7 | M135 Q136 L138 Q148 | M135-M150 WeakPolarHBondContact CA-O 3.41Å; Q136-M150 PolarHBondContact N-O 3.49Å; Q136-M150 PolarHBondContact O-N 3.25Å; L138-M150 HydrophobicContact CB-SD 4.09Å; L138-M150 HydrophobicContact CD1-CB 4.37Å; L138-M150 HydrophobicContact CD1-CE 3.29Å; L138-M150 HydrophobicContact CD1-CG 4.49Å; L138-M150 HydrophobicContact CD1-SD 3.6Å; L138-M150 VanDerWaalsContact CD1-SD 3.6Å; L138-M150 HydrophobicContact CG-CE 4.39Å; L138-M150 HydrophobicContact CG-SD 4.23Å; Q148-M150 PolarHBondContact O-N 3.12Å |
| 151 | S | 93.3 | Very high | 87 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.3 | 172.7 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | Y134 | Y134-S151 CarbonylContact O-C 3.45Å; Y134-S151 WeakPolarHBondContact O-CA 3.34Å |
| 152 | R | 92.6 | Very high | 87.4 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 33% | 0.328 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.5 | 176 | -59.7 | -69.4 | -88.8 | 176.6 | -4.1 | 108 | N33 T133 Y134 Q136 | N33-R152 PolarHBondContact OD1-NH2 2.86Å; T133-R152 WeakPolarHBondContact CA-O 3.28Å; Y134-R152 HydrophobicContact CD1-CB 4.16Å; Y134-R152 VanDerWaalsContact CD1-O 3.3Å; Y134-R152 WeakPolarHBondContact CD1-O 3.03Å; Y134-R152 HydrophobicContact CD2-CB 4.18Å; Y134-R152 HydrophobicContact CE1-CB 3.66Å; Y134-R152 HydrophobicContact CE2-CB 3.69Å; Y134-R152 HydrophobicContact CE2-CG 4.07Å; Y134-R152 HydrophobicContact CG-CB 4.4Å; Y134-R152 VanDerWaalsContact CZ-CB 3.4Å; Y134-R152 PolarHBondContact N-O 3.3Å; Y134-R152 PolarHBondContact O-N 3.29Å; Q136-R152 HydrophobicContact CB-CG 4.17Å |
| 153 | P | 93.3 | Very high | 87.7 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 60% | 0.597 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 144.2 | 173 | 30.5 | -33 | 0 | 0 | 0 | 110 | T133 | T133-P153 HydrophobicContact CG2-CB 4.45Å |
| 154 | C | 91.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 10% | 0.095 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 164.6 | 159.3 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | A132 C167 | A132-C154 WeakPolarHBondContact O-CB 3.04Å; A132-C154 PolarHBondContact O-N 2.93Å; C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.62Å; C154-C167 WeakPolarHBondContact CB-SG 3.39Å; C154-C167 WeakPolarHBondContact SG-CB 3.39Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.13Å |
| 155 | F | 87.5 | Confident | 88.4 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -57.2 | 160.3 | 169 | 59.9 | -93.5 | 0 | 0 | 0 | 111.7 | L62 P63 G157 G158 C167 | L62-F155 HydrophobicContact CD2-CD1 4.47Å; L62-F155 HydrophobicContact CD2-CE1 3.45Å; L62-F155 VanDerWaalsContact CD2-CE1 3.45Å; L62-F155 HydrophobicContact CD2-CE2 4.04Å; L62-F155 HydrophobicContact CD2-CZ 3.19Å; P63-F155 HydrophobicContact CG-CB 3.59Å; P63-F155 HydrophobicContact CG-CD1 4.2Å; P63-F155 HydrophobicContact CG-CG 4.09Å; F155-G157 PolarHBondContact O-N 3.39Å; F155-G157 VanDerWaalsContact O-N 3.15Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.02Å; F155-C167 HydrophobicContact CD1-CB 3.91Å; F155-C167 HydrophobicContact CE1-CB 3.56Å; F155-C167 WeakPolarHBondContact CE1-O 3.33Å; F155-C167 HydrophobicContact CZ-CB 4.5Å |
| 156 | S | 86.1 | Confident | 88.9 | Confident | 129 Ų | 129 | 44.4 Ų | 44.4 | 90% | 0.902 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 119.1 | -177.7 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | G158 | S156-G158 VanDerWaalsContact C-N 3.3Š|
| 157 | G | 85 | Confident | 88.9 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 0.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F155 S170 | F155-G157 PolarHBondContact O-N 3.39Å; F155-G157 VanDerWaalsContact O-N 3.15Å; G157-S170 WeakPolarHBondContact O-CB 3.37Å; G157-S170 PolarHBondContact O-N 2.92Å; G157-S170 PolarHBondContact O-OG 3.01Å; G157-S170 VanDerWaalsContact O-OG 3.12Å |
| 158 | G | 87.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A132 F155 S156 L168 | A132-G158 WeakPolarHBondContact CA-O 3.27Å; A132-G158 WeakPolarHBondContact CB-O 3.37Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.02Å; S156-G158 VanDerWaalsContact C-N 3.3Å; G158-L168 CarbonylContact C-O 3.57Å; G158-L168 WeakPolarHBondContact CA-O 3.04Å |
| 159 | I | 90.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 36% | 0.359 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132 | 171.1 | -66.4 | 171.7 | 0 | 0 | 0 | 107.7 | P131 N161 L168 S170 | P131-I159 HydrophobicContact CB-CG2 4.02Å; P131-I159 CarbonylContact O-C 3.46Å; P131-I159 WeakPolarHBondContact O-CA 3.31Å; I159-N161 PolarHBondContact O-N 3.46Å; I159-L168 PolarHBondContact N-O 3.48Å; I159-L168 PolarHBondContact O-N 2.03Å; I159-S170 VanDerWaalsContact CD1-CB 3.46Å |
| 160 | F | 90.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.4 | 175.8 | -177.5 | -104.9 | 0 | 0 | 0 | 110.6 | L124 P126 P131 Y134 F162 Q165 | L124-F160 HydrophobicContact CB-CE2 3.91Å; L124-F160 HydrophobicContact CB-CZ 3.51Å; L124-F160 HydrophobicContact CD1-CE2 4.1Å; P126-F160 HydrophobicContact CB-CD1 4.25Å; P131-F160 PolarHBondContact O-N 3.46Å; Y134-F160 VanDerWaalsContact CB-CD2 3.49Å; Y134-F160 VanDerWaalsContact CB-CG 3.45Å; Y134-F160 AromaticContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CE2 4.48Å; Y134-F160 HydrophobicContact CD1-CG 4.46Å; Y134-F160 HydrophobicContact CD2-CD2 4.45Å; Y134-F160 HydrophobicContact CD2-CE2 4.24Å; Y134-F160 AromaticContact CG-CD2 3.72Å; Y134-F160 HydrophobicContact CG-CD2 3.72Å; Y134-F160 AromaticContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CG 4.18Å; F160-F162 HydrophobicContact CE1-CB 4.22Å; F160-Q165 HydrophobicContact CZ-CB 4.38Å |
| 161 | N | 87.7 | Confident | 86.5 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110 | 173 | -173.9 | -52.2 | 0 | 0 | 0 | 109.1 | I159 M163 L164 Q165 L166 L168 | I159-N161 PolarHBondContact O-N 3.46Å; N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.36Å; N161-M163 WeakPolarHBondContact OD1-CA 3.42Å; N161-M163 VanDerWaalsContact OD1-CB 3.3Å; N161-M163 WeakPolarHBondContact OD1-CB 3.5Å; N161-M163 PolarHBondContact OD1-N 3.11Å; N161-L164 HydrophobicContact CB-CB 4.39Å; N161-L164 PolarHBondContact O-N 3.13Å; N161-L164 PolarHBondContact OD1-N 3.14Å; N161-Q165 WeakPolarHBondContact O-CA 3.41Å; N161-Q165 PolarHBondContact O-N 2.78Å; N161-L166 PolarHBondContact N-O 2.7Å; N161-L166 PolarHBondContact O-N 3.14Å; N161-L168 HydrophobicContact CB-CD1 3.42Å; N161-L168 VanDerWaalsContact CB-CD1 3.42Å; N161-L168 HydrophobicContact CB-CG 3.99Å |
| 162 | F | 85.7 | Confident | 85.2 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 23% | 0.228 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34 | -179.4 | 170 | -103.8 | 0 | 0 | 0 | 113.1 | P126 F160 Q165 M212 M299 | P126-F162 HydrophobicContact CG-CB 4.42Å; F160-F162 HydrophobicContact CE1-CB 4.22Å; F162-Q165 WeakPolarHBondContact O-CG 3.46Å; F162-Q165 PolarHBondContact O-N 3.38Å; F162-M212 HydrophobicContact CE1-CE 4.35Å; F162-M299 HydrophobicContact CB-SD 4.31Å |
| 163 | M | 80.7 | Confident | 83.6 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -45.2 | 178.5 | -66.7 | -62.7 | -72.3 | 0 | 0 | 110.6 | N161 I181 V210 M212 | N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.36Å; N161-M163 WeakPolarHBondContact OD1-CA 3.42Å; N161-M163 VanDerWaalsContact OD1-CB 3.3Å; N161-M163 WeakPolarHBondContact OD1-CB 3.5Å; N161-M163 PolarHBondContact OD1-N 3.11Å; M163-I181 HydrophobicContact CB-CD1 4.4Å; M163-V210 VanDerWaalsContact O-CG1 3.3Å; M163-V210 WeakPolarHBondContact O-CG1 3.48Å; M163-M212 HydrophobicContact CB-CE 4.42Å; M163-M212 HydrophobicContact CE-CE 4.13Å; M163-M212 WeakPolarHBondContact O-CE 3.19Å; M163-M212 HydrophobicContact SD-CE 3.69Å |
| 164 | L | 81.8 | Confident | 82.2 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -17.5 | 179.2 | -59.8 | -168.5 | 0 | 0 | 0 | 113.7 | N161 L166 L168 I181 V183 M205 V210 | N161-L164 HydrophobicContact CB-CB 4.39Å; N161-L164 PolarHBondContact O-N 3.13Å; N161-L164 PolarHBondContact OD1-N 3.14Å; L164-L166 HydrophobicContact CB-CB 4.08Å; L164-L166 HydrophobicContact CB-CD1 4.15Å; L164-L166 HydrophobicContact CB-CG 4.14Å; L164-L166 WeakPolarHBondContact O-CG 3.41Å; L164-L166 PolarHBondContact O-N 2.89Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.22Å; L164-I181 HydrophobicContact CD1-CB 4.33Å; L164-I181 HydrophobicContact CD1-CG2 3.74Å; L164-I181 HydrophobicContact CD2-CD1 4.04Å; L164-I181 HydrophobicContact CG-CD1 4.34Å; L164-I181 HydrophobicContact CG-CG2 4.25Å; L164-V183 HydrophobicContact CD1-CG2 4.22Å; L164-M205 HydrophobicContact CD1-CE 3.69Å; L164-M205 HydrophobicContact CD2-CE 3.51Å; L164-M205 HydrophobicContact CG-CE 4.21Å; L164-V210 HydrophobicContact CD2-CG2 3.52Å |
| 165 | Q | 88.4 | Confident | 81.4 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 31.6 | -166.9 | -61.1 | 179 | 5.1 | 0 | 0 | 112.7 | S123 L124 F160 N161 F162 | S123-Q165 VanDerWaalsContact CB-NE2 3.28Å; L124-Q165 HydrophobicContact CB-CB 4.2Å; L124-Q165 HydrophobicContact CB-CG 4.39Å; L124-Q165 HydrophobicContact CD1-CB 4.32Å; L124-Q165 WeakPolarHBondContact CD1-O 3.19Å; F160-Q165 HydrophobicContact CZ-CB 4.38Å; N161-Q165 WeakPolarHBondContact O-CA 3.41Å; N161-Q165 PolarHBondContact O-N 2.78Å; F162-Q165 WeakPolarHBondContact O-CG 3.46Å; F162-Q165 PolarHBondContact O-N 3.38Å |
| 166 | L | 88.7 | Confident | 81.2 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.8 | -177.1 | -66.7 | 175.3 | 0 | 0 | 0 | 110.8 | L29 N31 L65 N161 L164 L168 | L29-L166 HydrophobicContact CB-CD1 4Å; N31-L166 HydrophobicContact CB-CD2 3.96Å; N31-L166 VanDerWaalsContact N-CD2 3.34Å; L65-L166 HydrophobicContact CD1-CD1 3.93Å; L65-L166 HydrophobicContact CD1-CD2 3.91Å; N161-L166 PolarHBondContact N-O 2.7Å; N161-L166 PolarHBondContact O-N 3.14Å; L164-L166 HydrophobicContact CB-CB 4.08Å; L164-L166 HydrophobicContact CB-CD1 4.15Å; L164-L166 HydrophobicContact CB-CG 4.14Å; L164-L166 WeakPolarHBondContact O-CG 3.41Å; L164-L166 PolarHBondContact O-N 2.89Å; L166-L168 HydrophobicContact CB-CD2 3.93Å |
| 167 | C | 89.4 | Confident | 81.2 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.7 | 162 | -67 | 0 | 0 | 0 | 0 | 109 | C154 F155 | C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.62Å; C154-C167 WeakPolarHBondContact CB-SG 3.39Å; C154-C167 WeakPolarHBondContact SG-CB 3.39Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.13Å; F155-C167 HydrophobicContact CD1-CB 3.91Å; F155-C167 HydrophobicContact CE1-CB 3.56Å; F155-C167 WeakPolarHBondContact CE1-O 3.33Å; F155-C167 HydrophobicContact CZ-CB 4.5Å |
| 168 | L | 86.9 | Confident | 80.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.8 | -178 | -52 | 177.3 | 0 | 0 | 0 | 109.5 | G158 I159 N161 L164 L166 S170 I181 P182 V183 | G158-L168 CarbonylContact C-O 3.57Å; G158-L168 WeakPolarHBondContact CA-O 3.04Å; I159-L168 PolarHBondContact N-O 3.48Å; I159-L168 PolarHBondContact O-N 2.03Å; N161-L168 HydrophobicContact CB-CD1 3.42Å; N161-L168 VanDerWaalsContact CB-CD1 3.42Å; N161-L168 HydrophobicContact CB-CG 3.99Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.22Å; L166-L168 HydrophobicContact CB-CD2 3.93Å; L168-S170 PolarHBondContact O-N 3.26Å; L168-I181 HydrophobicContact CD1-CG2 4.32Å; L168-P182 WeakPolarHBondContact CD1-O 3.41Å; L168-V183 HydrophobicContact CD2-CG1 4.24Å |
| 169 | S | 83.2 | Confident | 80.7 | Confident | 28 Ų | 28 | 54 Ų | 54 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.3 | 176.9 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | S171 M172 | S169-S171 PolarHBondContact O-N 3.4Å; S169-S171 PolarHBondContact OG-OG 2.76Å; S169-M172 VanDerWaalsContact CB-SD 3.56Å; S169-M172 PolarHBondContact O-N 3.15Å |
| 170 | S | 75.9 | Confident | 80.5 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.9 | -24.9 | 178.7 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | G157 I159 L168 M172 | G157-S170 WeakPolarHBondContact O-CB 3.37Å; G157-S170 PolarHBondContact O-N 2.92Å; G157-S170 PolarHBondContact O-OG 3.01Å; G157-S170 VanDerWaalsContact O-OG 3.12Å; I159-S170 VanDerWaalsContact CD1-CB 3.46Å; L168-S170 PolarHBondContact O-N 3.26Å; S170-M172 PolarHBondContact O-N 3.02Å; S170-M172 VanDerWaalsContact O-N 3.15Å |
| 171 | S | 70.5 | Confident | 80.1 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -72.1 | -1.1 | -176 | 55.1 | 0 | 0 | 0 | 0 | 115.5 | S169 | S169-S171 PolarHBondContact O-N 3.4Å; S169-S171 PolarHBondContact OG-OG 2.76Å |
| 172 | M | 64.5 | Low | 80 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -103.8 | 9.9 | -165.4 | -62.7 | 166 | -177.2 | 0 | 0 | 114.7 | S169 S170 M174 P182 T184 Q185 | S169-M172 VanDerWaalsContact CB-SD 3.56Å; S169-M172 PolarHBondContact O-N 3.15Å; S170-M172 PolarHBondContact O-N 3.02Å; S170-M172 VanDerWaalsContact O-N 3.15Å; M172-M174 PolarHBondContact O-N 2.75Å; M172-P182 HydrophobicContact CB-CB 4.14Å; M172-P182 VanDerWaalsContact O-CB 3.32Å; M172-P182 WeakPolarHBondContact O-CB 3.32Å; M172-T184 VanDerWaalsContact SD-C 3.56Å; M172-T184 WeakPolarHBondContact SD-CA 3.3Å; M172-Q185 HydrophobicContact CE-CG 4.06Å; M172-Q185 HydrophobicContact CG-CG 4.19Å |
| 173 | A | 59.2 | Low | 79.9 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 70% | 0.702 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 174 | M | 63.8 | Low | 80.1 | Confident | 181 Ų | 181 | 48.1 Ų | 48.1 | 89% | 0.892 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 2.6 | -165.4 | -62.3 | -150.3 | -66.8 | 0 | 0 | 117.2 | M172 | M172-M174 PolarHBondContact O-N 2.75Š|
| 175 | G | 75.2 | Confident | 80.2 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -110.2 | -16.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q200 | G175-Q200 PolarHBondContact O-OE1 2.9Š|
| 176 | C | 84.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -101.1 | 137 | -172.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | P182 C204 | C176-P182 WeakPolarHBondContact SG-CA 3.05Å; C176-P182 VanDerWaalsContact SG-CB 3.59Å; C176-C204 WeakPolarHBondContact CA-SG 3.41Å; C176-C204 HydrophobicContact CB-CB 3.88Å; C176-C204 WeakPolarHBondContact CB-SG 3.03Å; C176-C204 VanDerWaalsContact SG-CA 3.51Å; C176-C204 WeakPolarHBondContact SG-CB 3.47Å; C176-C204 CovalentContact SG-SG 2.02Å; C176-C204 PolarHBondContact SG-SG 2.67Å |
| 177 | P | 84.6 | Confident | 79.9 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | trans | -65.5 | 157.6 | 171.6 | 23.8 | -25.3 | 0 | 0 | 0 | 110.6 | S179 Y180 M199 | P177-S179 PolarHBondContact O-N 3.04Å; P177-Y180 HydrophobicContact CG-CD2 3.67Å; P177-Y180 HydrophobicContact CG-CE2 4.17Å; P177-Y180 HydrophobicContact CG-CG 4.42Å; P177-Y180 PolarHBondContact O-N 3.5Å; P177-M199 VanDerWaalsContact CD-CE 3.46Å; P177-M199 HydrophobicContact CG-CE 3.81Å; P177-M199 HydrophobicContact CG-SD 4.28Å | ||
| 178 | Q | 80.4 | Confident | 79.6 | Confident | 200 Ų | 200 | 57.5 Ų | 57.5 | 94% | 0.935 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.7 | -169.4 | -67.9 | -145.7 | -19.3 | 0 | 0 | 116 | Y180 | Q178-Y180 PolarHBondContact O-N 3.22Š|
| 179 | S | 82.6 | Confident | 79.4 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 47% | 0.469 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.9 | 174.9 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | P177 T207 | P177-S179 PolarHBondContact O-N 3.04Å; S179-T207 PolarHBondContact O-N 2.89Å; S179-T207 VanDerWaalsContact O-N 3.07Å; S179-T207 PolarHBondContact O-OG1 3.15Å |
| 180 | Y | 85.3 | Confident | 79.4 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.8 | -177 | -65.8 | -107 | 0 | 0 | 0 | 111.3 | P177 Q178 M197 M199 C204 M205 P206 | P177-Y180 HydrophobicContact CG-CD2 3.67Å; P177-Y180 HydrophobicContact CG-CE2 4.17Å; P177-Y180 HydrophobicContact CG-CG 4.42Å; P177-Y180 PolarHBondContact O-N 3.5Å; Q178-Y180 PolarHBondContact O-N 3.22Å; Y180-M197 HydrophobicContact CE1-CG 4.22Å; Y180-M197 HydrophobicContact CE1-SD 3.76Å; Y180-M199 HydrophobicContact CD1-CE 3.62Å; Y180-M199 HydrophobicContact CD2-CE 3.87Å; Y180-M199 HydrophobicContact CE1-CE 3.88Å; Y180-M199 HydrophobicContact CE2-CE 4.11Å; Y180-M199 HydrophobicContact CG-CE 3.63Å; Y180-C204 HydrophobicContact CD1-CB 3.98Å; Y180-C204 HydrophobicContact CG-CB 4.19Å; Y180-M205 CarbonylContact C-O 3.55Å; Y180-M205 VanDerWaalsContact CA-O 3.27Å; Y180-M205 WeakPolarHBondContact CA-O 2.9Å; Y180-M205 VanDerWaalsContact CD1-C 3.48Å; Y180-P206 HydrophobicContact CD1-CB 4.06Å; Y180-P206 VanDerWaalsContact CD1-N 3.34Å; Y180-P206 HydrophobicContact CE1-CB 3.78Å; Y180-P206 HydrophobicContact CE1-CG 4.26Å |
| 181 | I | 83 | Confident | 79.8 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.5 | 175.6 | -59.4 | 167.8 | 0 | 0 | 0 | 107.9 | M163 L164 L168 M205 T207 | M163-I181 HydrophobicContact CB-CD1 4.4Å; L164-I181 HydrophobicContact CD1-CB 4.33Å; L164-I181 HydrophobicContact CD1-CG2 3.74Å; L164-I181 HydrophobicContact CD2-CD1 4.04Å; L164-I181 HydrophobicContact CG-CD1 4.34Å; L164-I181 HydrophobicContact CG-CG2 4.25Å; L168-I181 HydrophobicContact CD1-CG2 4.32Å; I181-M205 PolarHBondContact N-O 3.36Å; I181-M205 PolarHBondContact O-N 2.96Å; I181-T207 HydrophobicContact CD1-CG2 3.9Å; I181-T207 HydrophobicContact CG1-CG2 3.82Å |
| 182 | P | 85.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.2 | 173.1 | 26.9 | -32.3 | 0 | 0 | 0 | 110.1 | L168 M172 C176 | L168-P182 WeakPolarHBondContact CD1-O 3.41Å; M172-P182 HydrophobicContact CB-CB 4.14Å; M172-P182 VanDerWaalsContact O-CB 3.32Å; M172-P182 WeakPolarHBondContact O-CB 3.32Å; C176-P182 WeakPolarHBondContact SG-CA 3.05Å; C176-P182 VanDerWaalsContact SG-CB 3.59Å |
| 183 | V | 83.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -57.2 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 111 | L29 L164 L168 C203 M205 | L29-V183 HydrophobicContact CD1-CG1 3.88Å; L164-V183 HydrophobicContact CD1-CG2 4.22Å; L168-V183 HydrophobicContact CD2-CG1 4.24Å; V183-C203 PolarHBondContact N-O 2.04Å; V183-M205 HydrophobicContact CG2-CB 3.79Å; V183-M205 HydrophobicContact CG2-CE 3.84Å |
| 184 | T | 84.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 172.7 | -178.3 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | W60 L62 M172 P193 S202 C203 | W60-T184 HydrophobicContact CD2-CG2 4.07Å; W60-T184 HydrophobicContact CE3-CG2 3.35Å; W60-T184 HydrophobicContact CZ3-CG2 4Å; W60-T184 PolarHBondContact O-OG1 2.79Å; W60-T184 VanDerWaalsContact O-OG1 3.11Å; L62-T184 HydrophobicContact CD1-CG2 4.48Å; M172-T184 VanDerWaalsContact SD-C 3.56Å; M172-T184 WeakPolarHBondContact SD-CA 3.3Å; T184-P193 HydrophobicContact CG2-CG 3.79Å; T184-S202 CarbonylContact O-C 3.57Å; T184-C203 HydrophobicContact CG2-CB 3.66Å; T184-C203 WeakPolarHBondContact O-CB 3.34Å; T184-C203 PolarHBondContact O-N 3.41Å |
| 185 | Q | 85.1 | Confident | 83 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 147.3 | 167.5 | -73.4 | -179.1 | -10 | 0 | 0 | 108.9 | W60 M172 G201 | W60-Q185 VanDerWaalsContact CE3-O 3.24Å; W60-Q185 WeakPolarHBondContact CZ3-O 3.45Å; M172-Q185 HydrophobicContact CE-CG 4.06Å; M172-Q185 HydrophobicContact CG-CG 4.19Å; Q185-G201 WeakPolarHBondContact CA-O 3.38Å |
| 186 | C | 86.4 | Confident | 83.4 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.142 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 147 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | C198 G201 S202 | C186-C198 HydrophobicContact CB-CB 3.94Å; C186-C198 WeakPolarHBondContact CB-SG 3.37Å; C186-C198 WeakPolarHBondContact SG-CA 3.49Å; C186-C198 WeakPolarHBondContact SG-CB 3.3Å; C186-C198 CovalentContact SG-SG 2Å; C186-C198 PolarHBondContact SG-SG 3.34Å; C186-G201 PolarHBondContact N-O 3.32Å; C186-S202 PolarHBondContact SG-N 2.81Å |
| 187 | S | 84.2 | Confident | 83.6 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 156.8 | 169.3 | 162 | 0 | 0 | 0 | 0 | 109.2 | M189 M190 A191 | S187-M189 PolarHBondContact O-N 3.26Å; S187-M189 PolarHBondContact OG-N 2.79Å; S187-M189 VanDerWaalsContact OG-N 3.17Å; S187-M190 WeakPolarHBondContact O-CA 2.93Å; S187-M190 PolarHBondContact O-N 3.38Å; S187-A191 PolarHBondContact N-O 2.94Å |
| 188 | P | 81.9 | Confident | 83.9 | Confident | 118 Ų | 118 | 59 Ų | 59 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -24.8 | 167.6 | -27 | 34.5 | 0 | 0 | 0 | 113.7 | M190 | P188-M190 VanDerWaalsContact C-N 3.35Š|
| 189 | M | 84 | Confident | 84.2 | Confident | 167 Ų | 167 | 51.7 Ų | 51.7 | 82% | 0.823 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 13.1 | 176.1 | -57 | -174.1 | 77.9 | 0 | 0 | 114.1 | S187 A191 | S187-M189 PolarHBondContact O-N 3.26Å; S187-M189 PolarHBondContact OG-N 2.79Å; S187-M189 VanDerWaalsContact OG-N 3.17Å; M189-A191 PolarHBondContact O-N 3.11Å |
| 190 | M | 82.1 | Confident | 84.3 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 61% | 0.606 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 57.4 | 19.7 | -176.1 | -58.6 | -68.5 | -76.2 | 0 | 0 | 114.3 | S187 P188 C198 | S187-M190 WeakPolarHBondContact O-CA 2.93Å; S187-M190 PolarHBondContact O-N 3.38Å; P188-M190 VanDerWaalsContact C-N 3.35Å; M190-C198 HydrophobicContact CE-CB 4.4Å; M190-C198 WeakPolarHBondContact CE-SG 2.92Å; M190-C198 WeakPolarHBondContact O-CB 2.94Å; M190-C198 VanDerWaalsContact SD-SG 3.66Å |
| 191 | A | 85.3 | Confident | 84.3 | Confident | 46 Ų | 46 | 55 Ų | 55 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -76 | 169.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | W60 S187 M189 | W60-A191 HydrophobicContact CH2-CB 4.03Å; W60-A191 WeakPolarHBondContact CH2-O 3.34Å; W60-A191 HydrophobicContact CZ2-CB 4.18Å; W60-A191 WeakPolarHBondContact CZ3-O 3.21Å; S187-A191 PolarHBondContact N-O 2.94Å; M189-A191 PolarHBondContact O-N 3.11Å | ||
| 192 | C | 85.1 | Confident | 84.6 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | trans | -150.7 | 152.8 | 172.1 | -76.4 | 0 | 0 | 0 | 0 | 110.2 | W60 S196 C198 C203 | W60-C192 VanDerWaalsContact CH2-CA 3.43Å; C192-S196 WeakPolarHBondContact CB-O 2.96Å; C192-S196 WeakPolarHBondContact CB-OG 3.38Å; C192-C198 WeakPolarHBondContact SG-CA 3.46Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C198 PolarHBondContact SG-N 3.46Å; C192-C203 WeakPolarHBondContact CA-SG 3.46Å; C192-C203 HydrophobicContact CB-CB 3.65Å; C192-C203 WeakPolarHBondContact CB-SG 3.38Å; C192-C203 WeakPolarHBondContact SG-CA 3.49Å; C192-C203 WeakPolarHBondContact SG-CB 3.33Å; C192-C203 CovalentContact SG-SG 2.02Å; C192-C203 PolarHBondContact SG-SG 3.06Å | ||
| 193 | P | 83 | Confident | 84.7 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -77.2 | 143.9 | -179.1 | 32 | -34.8 | 0 | 0 | 0 | 111.9 | L29 I52 W60 L65 T184 S196 | L29-P193 HydrophobicContact CD1-CG 4.29Å; L29-P193 HydrophobicContact CD2-CB 3.95Å; I52-P193 HydrophobicContact CD1-CB 3.95Å; W60-P193 HydrophobicContact CD2-CG 4.24Å; W60-P193 HydrophobicContact CG-CG 4.48Å; L65-P193 HydrophobicContact CD2-CB 4.11Å; L65-P193 HydrophobicContact CD2-CG 3.91Å; T184-P193 HydrophobicContact CG2-CG 3.79Å; P193-S196 PolarHBondContact O-N 3.41Å; P193-S196 PolarHBondContact O-OG 2.66Å |
| 194 | G | 77.3 | Confident | 85 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | -133.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 195 | Q | 78.9 | Confident | 85 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.9 | 177.4 | -65.1 | -171 | -24.9 | 0 | 0 | 114.1 | N26 | N26-Q195 PolarHBondContact OD1-NE2 3.1Å; N26-Q195 VanDerWaalsContact OD1-NE2 3.09Å |
| 196 | S | 84.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | trans | -73.6 | 148.2 | 179 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | C192 P193 C204 | C192-S196 WeakPolarHBondContact CB-O 2.96Å; C192-S196 WeakPolarHBondContact CB-OG 3.38Å; P193-S196 PolarHBondContact O-N 3.41Å; P193-S196 PolarHBondContact O-OG 2.66Å; S196-C204 WeakPolarHBondContact CA-O 3.28Å | ||
| 197 | M | 88.5 | Confident | 84.1 | Confident | 79 Ų | 79 | 52 Ų | 52 | 39% | 0.389 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139 | -179.6 | 54.2 | 179.8 | 52.1 | 0 | 0 | 110.5 | Y180 M199 C204 | Y180-M197 HydrophobicContact CE1-CG 4.22Å; Y180-M197 HydrophobicContact CE1-SD 3.76Å; M197-M199 HydrophobicContact CG-CE 4.12Å; M197-M199 HydrophobicContact CG-CG 4.25Å; M197-M199 HydrophobicContact CG-SD 4.4Å; M197-M199 PolarHBondContact O-N 3.36Å; M197-M199 HydrophobicContact SD-CE 4.17Å; M197-M199 HydrophobicContact SD-SD 4.11Å; M197-C204 PolarHBondContact N-O 2.97Å; M197-C204 PolarHBondContact O-N 3.33Å |
| 198 | C | 89.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 113.4 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | C186 M190 C192 S202 | C186-C198 HydrophobicContact CB-CB 3.94Å; C186-C198 WeakPolarHBondContact CB-SG 3.37Å; C186-C198 WeakPolarHBondContact SG-CA 3.49Å; C186-C198 WeakPolarHBondContact SG-CB 3.3Å; C186-C198 CovalentContact SG-SG 2Å; C186-C198 PolarHBondContact SG-SG 3.34Å; M190-C198 HydrophobicContact CE-CB 4.4Å; M190-C198 WeakPolarHBondContact CE-SG 2.92Å; M190-C198 WeakPolarHBondContact O-CB 2.94Å; M190-C198 VanDerWaalsContact SD-SG 3.66Å; C192-C198 WeakPolarHBondContact SG-CA 3.46Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C198 PolarHBondContact SG-N 3.46Å; C198-S202 CarbonylContact C-O 3.58Å; C198-S202 WeakPolarHBondContact CA-O 3.16Å |
| 199 | M | 87.6 | Confident | 81.6 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126 | 173.3 | -60.3 | -167.8 | -76.8 | 0 | 0 | 109.3 | P177 Y180 M197 G201 S202 C204 | P177-M199 VanDerWaalsContact CD-CE 3.46Å; P177-M199 HydrophobicContact CG-CE 3.81Å; P177-M199 HydrophobicContact CG-SD 4.28Å; Y180-M199 HydrophobicContact CD1-CE 3.62Å; Y180-M199 HydrophobicContact CD2-CE 3.87Å; Y180-M199 HydrophobicContact CE1-CE 3.88Å; Y180-M199 HydrophobicContact CE2-CE 4.11Å; Y180-M199 HydrophobicContact CG-CE 3.63Å; M197-M199 HydrophobicContact CG-CE 4.12Å; M197-M199 HydrophobicContact CG-CG 4.25Å; M197-M199 HydrophobicContact CG-SD 4.4Å; M197-M199 PolarHBondContact O-N 3.36Å; M197-M199 HydrophobicContact SD-CE 4.17Å; M197-M199 HydrophobicContact SD-SD 4.11Å; M199-G201 PolarHBondContact O-N 3.31Å; M199-G201 VanDerWaalsContact O-N 3.14Å; M199-S202 PolarHBondContact N-O 3.06Å; M199-S202 PolarHBondContact O-N 2.97Å; M199-C204 HydrophobicContact CE-CB 3.26Å |
| 200 | Q | 85.2 | Confident | 80 | Confident | 167 Ų | 167 | 48.1 Ų | 48.1 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.5 | 178.2 | -56.3 | -178.6 | -0 | 0 | 0 | 113.8 | G175 S202 | G175-Q200 PolarHBondContact O-OE1 2.9Å; Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.02Å |
| 201 | G | 85.8 | Confident | 77.8 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 3.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q185 C186 M199 | Q185-G201 WeakPolarHBondContact CA-O 3.38Å; C186-G201 PolarHBondContact N-O 3.32Å; M199-G201 PolarHBondContact O-N 3.31Å; M199-G201 VanDerWaalsContact O-N 3.14Å |
| 202 | S | 87.4 | Confident | 75.6 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.6 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.7 | T184 C186 C198 M199 Q200 C204 | T184-S202 CarbonylContact O-C 3.57Å; C186-S202 PolarHBondContact SG-N 2.81Å; C198-S202 CarbonylContact C-O 3.58Å; C198-S202 WeakPolarHBondContact CA-O 3.16Å; M199-S202 PolarHBondContact N-O 3.06Å; M199-S202 PolarHBondContact O-N 2.97Å; Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.02Å; S202-C204 PolarHBondContact O-N 3.17Å; S202-C204 PolarHBondContact O-SG 2.84Å; S202-C204 VanDerWaalsContact O-SG 3.38Å |
| 203 | C | 89.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 110 | 171.5 | -67.9 | 0 | 0 | 0 | 0 | 109.9 | V183 T184 C192 | V183-C203 PolarHBondContact N-O 2.04Å; T184-C203 HydrophobicContact CG2-CB 3.66Å; T184-C203 WeakPolarHBondContact O-CB 3.34Å; T184-C203 PolarHBondContact O-N 3.41Å; C192-C203 WeakPolarHBondContact CA-SG 3.46Å; C192-C203 HydrophobicContact CB-CB 3.65Å; C192-C203 WeakPolarHBondContact CB-SG 3.38Å; C192-C203 WeakPolarHBondContact SG-CA 3.49Å; C192-C203 WeakPolarHBondContact SG-CB 3.33Å; C192-C203 CovalentContact SG-SG 2.02Å; C192-C203 PolarHBondContact SG-SG 3.06Å |
| 204 | C | 88.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.1 | -173.2 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | C176 Y180 S196 M197 M199 S202 | C176-C204 WeakPolarHBondContact CA-SG 3.41Å; C176-C204 HydrophobicContact CB-CB 3.88Å; C176-C204 WeakPolarHBondContact CB-SG 3.03Å; C176-C204 VanDerWaalsContact SG-CA 3.51Å; C176-C204 WeakPolarHBondContact SG-CB 3.47Å; C176-C204 CovalentContact SG-SG 2.02Å; C176-C204 PolarHBondContact SG-SG 2.67Å; Y180-C204 HydrophobicContact CD1-CB 3.98Å; Y180-C204 HydrophobicContact CG-CB 4.19Å; S196-C204 WeakPolarHBondContact CA-O 3.28Å; M197-C204 PolarHBondContact N-O 2.97Å; M197-C204 PolarHBondContact O-N 3.33Å; M199-C204 HydrophobicContact CE-CB 3.26Å; S202-C204 PolarHBondContact O-N 3.17Å; S202-C204 PolarHBondContact O-SG 2.84Å; S202-C204 VanDerWaalsContact O-SG 3.38Å |
| 205 | M | 85.4 | Confident | 69.2 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.6 | 176.5 | -173.1 | 165.3 | 44.1 | 0 | 0 | 109.8 | L164 Y180 I181 V183 | L164-M205 HydrophobicContact CD1-CE 3.69Å; L164-M205 HydrophobicContact CD2-CE 3.51Å; L164-M205 HydrophobicContact CG-CE 4.21Å; Y180-M205 CarbonylContact C-O 3.55Å; Y180-M205 VanDerWaalsContact CA-O 3.27Å; Y180-M205 WeakPolarHBondContact CA-O 2.9Å; Y180-M205 VanDerWaalsContact CD1-C 3.48Å; I181-M205 PolarHBondContact N-O 3.36Å; I181-M205 PolarHBondContact O-N 2.96Å; V183-M205 HydrophobicContact CG2-CB 3.79Å; V183-M205 HydrophobicContact CG2-CE 3.84Å |
| 206 | P | 81.9 | Confident | 67 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 140.4 | 179.7 | 25.3 | -32.3 | 0 | 0 | 0 | 110 | Y180 T208 T209 | Y180-P206 HydrophobicContact CD1-CB 4.06Å; Y180-P206 VanDerWaalsContact CD1-N 3.34Å; Y180-P206 HydrophobicContact CE1-CB 3.78Å; Y180-P206 HydrophobicContact CE1-CG 4.26Å; P206-T208 PolarHBondContact O-N 2.8Å; P206-T208 VanDerWaalsContact O-N 3.12Å; P206-T209 HydrophobicContact CG-CG2 3.94Å; P206-T209 PolarHBondContact O-N 3.46Å; P206-T209 PolarHBondContact O-OG1 3.28Å; P206-T209 VanDerWaalsContact O-OG1 3.1Å |
| 207 | T | 70.2 | Confident | 64.7 | Low | 68 Ų | 68 | 69.2 Ų | 69.2 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -61.5 | -21.4 | 179.5 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | S179 I181 | S179-T207 PolarHBondContact O-N 2.89Å; S179-T207 VanDerWaalsContact O-N 3.07Å; S179-T207 PolarHBondContact O-OG1 3.15Å; I181-T207 HydrophobicContact CD1-CG2 3.9Å; I181-T207 HydrophobicContact CG1-CG2 3.82Å |
| 208 | T | 62.8 | Low | 62.2 | Low | 122 Ų | 122 | 69.6 Ų | 69.6 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -79.2 | -21.1 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | P206 V210 | P206-T208 PolarHBondContact O-N 2.8Å; P206-T208 VanDerWaalsContact O-N 3.12Å; T208-V210 VanDerWaalsContact C-N 3.29Å; T208-V210 PolarHBondContact O-N 3.47Å |
| 209 | T | 51.9 | Low | 59.6 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -83.1 | -5.6 | -178.2 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | P206 A211 | P206-T209 HydrophobicContact CG-CG2 3.94Å; P206-T209 PolarHBondContact O-N 3.46Å; P206-T209 PolarHBondContact O-OG1 3.28Å; P206-T209 VanDerWaalsContact O-OG1 3.1Å; T209-A211 PolarHBondContact O-N 2.88Å |
| 210 | V | 48.8 | Very low | 57.1 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 24% | 0.242 | 46% | 0.456 | C | S | . | . | trans | -82 | 74.5 | 174.9 | -165.7 | 0 | 0 | 0 | 0 | 109 | M163 L164 T208 M212 | M163-V210 VanDerWaalsContact O-CG1 3.3Å; M163-V210 WeakPolarHBondContact O-CG1 3.48Å; L164-V210 HydrophobicContact CD2-CG2 3.52Å; T208-V210 VanDerWaalsContact C-N 3.29Å; T208-V210 PolarHBondContact O-N 3.47Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 PolarHBondContact O-N 3.05Å | ||
| 211 | A | 36.4 | Very low | 54.9 | Low | 69 Ų | 69 | 79.2 Ų | 79.2 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | trans | -69 | 80.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T209 P213 | T209-A211 PolarHBondContact O-N 2.88Å; A211-P213 WeakPolarHBondContact O-CD 3.34Å | ||
| 212 | M | 39.5 | Very low | 52.6 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | trans | -52.5 | 126.9 | 163.8 | -69.4 | -160.4 | -177.2 | 0 | 0 | 107.7 | F162 M163 V210 T214 | F162-M212 HydrophobicContact CE1-CE 4.35Å; M163-M212 HydrophobicContact CB-CE 4.42Å; M163-M212 HydrophobicContact CE-CE 4.13Å; M163-M212 WeakPolarHBondContact O-CE 3.19Å; M163-M212 HydrophobicContact SD-CE 3.69Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 PolarHBondContact O-N 3.05Å; M212-T214 PolarHBondContact O-N 2.84Å; M212-T214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | P | 39 | Very low | 50.2 | Low | 77 Ų | 77 | 93.2 Ų | 93.2 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | trans | -68.1 | 113 | 158.7 | 11.3 | 1.6 | 0 | 0 | 0 | 106 | A211 A215 | A211-P213 WeakPolarHBondContact O-CD 3.34Å; P213-A215 PolarHBondContact O-N 2.98Å | ||
| 214 | T | 36.8 | Very low | 47.8 | Very low | 128 Ų | 128 | 99.6 Ų | 99.6 | 79% | 0.785 | 56% | 0.557 | S | S | * | * | trans | -48.5 | 101.6 | 164.2 | 28.4 | 0 | 0 | 0 | 0 | 108.9 | M212 M216 | M212-T214 PolarHBondContact O-N 2.84Å; M212-T214 VanDerWaalsContact O-N 3.16Å; T214-M216 PolarHBondContact O-N 3.37Å | ||
| 215 | A | 36.1 | Very low | 45.4 | Very low | 53 Ų | 53 | 103.8 Ų | 103.8 | 44% | 0.438 | 59% | 0.592 | S | S | . | * | trans | -63.9 | 106.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | P213 Y217 | P213-A215 PolarHBondContact O-N 2.98Å; A215-Y217 PolarHBondContact O-N 3.38Å | ||
| 216 | M | 31.7 | Very low | 43.1 | Very low | 154 Ų | 154 | 108.2 Ų | 108.2 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | trans | -61.3 | 106.7 | 172.6 | -71.3 | -177.3 | 160.3 | 0 | 0 | 108.2 | T214 P218 | T214-M216 PolarHBondContact O-N 3.37Å; M216-P218 WeakPolarHBondContact O-CD 3.28Å | ||
| 217 | Y | 35.3 | Very low | 41.3 | Very low | 210 Ų | 210 | 115.3 Ų | 115.3 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -54.6 | 123 | 163 | -77.1 | -89.5 | 0 | 0 | 0 | 108.5 | A215 Q219 | A215-Y217 PolarHBondContact O-N 3.38Å; Y217-Q219 PolarHBondContact O-N 3.44Å | ||
| 218 | P | 37.4 | Very low | 39.8 | Very low | 87 Ų | 87 | 115.4 Ų | 115.4 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | trans | -72.9 | 113.1 | 172.3 | 29 | -30 | 0 | 0 | 0 | 108.4 | R100 M216 | R100-P218 VanDerWaalsContact NH1-CB 3.28Å; M216-P218 WeakPolarHBondContact O-CD 3.28Å | ||
| 219 | Q | 35.3 | Very low | 38.9 | Very low | 170 Ų | 170 | 114.6 Ų | 114.6 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | trans | -64.1 | 135.7 | 161.4 | -72.1 | -162.3 | -33.9 | 0 | 0 | 109.1 | Y217 | Y217-Q219 PolarHBondContact O-N 3.44Š| ||
| 220 | N | 34.1 | Very low | 38.3 | Very low | 149 Ų | 149 | 118 Ų | 118 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -54.3 | 127.8 | 163 | -106.8 | 1.6 | 0 | 0 | 0 | 108.6 | M222 | N220-M222 PolarHBondContact O-N 2.02Å; N220-M222 VanDerWaalsContact O-N 3.15Å | ||
| 221 | P | 38.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -76.9 | 102.8 | 169.9 | 29.7 | -27.5 | 0 | 0 | 0 | 107.9 | ||||
| 222 | M | 37.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | trans | -79.8 | 138.4 | 159.2 | -78.4 | -154.2 | 169.8 | 0 | 0 | 109.5 | N220 | N220-M222 PolarHBondContact O-N 2.02Å; N220-M222 VanDerWaalsContact O-N 3.15Å | ||
| 223 | I | 38.3 | Very low | 37.7 | Very low | 172 Ų | 172 | 129 Ų | 129 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -62.1 | 123.2 | -176.5 | -65.9 | 156.1 | 0 | 0 | 0 | 109.5 | ||||
| 224 | T | 38.4 | Very low | 37.7 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -114.5 | 117.6 | 172.2 | -26 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 225 | A | 38.8 | Very low | 37.4 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -71.2 | 159.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 226 | P | 37.2 | Very low | 37.6 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -101.9 | 169.6 | -163.6 | 39.3 | -32.4 | 0 | 0 | 0 | 114.2 | ||||
| 227 | I | 44.7 | Very low | 37.7 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 101.1 | 118.8 | 154.9 | -51.4 | 159.5 | 0 | 0 | 0 | 116.2 | ||||
| 228 | G | 38.3 | Very low | 37.8 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 143.3 | 84.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 229 | A | 43.9 | Very low | 37.8 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 82.3 | 150.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 230 | P | 39.6 | Very low | 37.8 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -118 | 165.7 | -157.9 | 39.5 | -23.8 | 0 | 0 | 0 | 116.3 | ||||
| 231 | A | 36.1 | Very low | 38 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 65.5 | 127.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 232 | Q | 39.7 | Very low | 37.8 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | -176.4 | 125.6 | 108.4 | -80.3 | -107.5 | 0.4 | 0 | 0 | 109.8 | |||||
| 233 | T | 34.8 | Very low | 37.8 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -89.4 | 136.8 | 176 | 34.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | Y | 40.4 | Very low | 37.7 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -146 | 122.1 | 159.8 | -151.2 | -95.3 | 0 | 0 | 0 | 109.9 | P236 | Y234-P236 HydrophobicContact CE1-CG 4.23Š| ||
| 235 | F | 30.2 | Very low | 37.3 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -122.8 | 149.6 | 160.5 | -77.7 | -76.7 | 0 | 0 | 0 | 107 | ||||
| 236 | P | 39.5 | Very low | 37.2 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | -137.7 | 143.3 | 126.1 | 28.5 | -11.7 | 0 | 0 | 0 | 113.8 | Y234 | Y234-P236 HydrophobicContact CE1-CG 4.23Š| |||
| 237 | I | 33.4 | Very low | 36.8 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 143.7 | 168.3 | -66.8 | 166.9 | 0 | 0 | 0 | 108.2 | ||||
| 238 | M | 38.4 | Very low | 36.4 | Very low | 184 Ų | 184 | 142 Ų | 142 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -128.2 | 144.6 | 157.6 | -78.7 | -117.5 | 178.4 | 0 | 0 | 110.3 | ||||
| 239 | P | 37.8 | Very low | 35.9 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -112.7 | 168.9 | -171.3 | 40.5 | -30 | 0 | 0 | 0 | 114.7 | ||||
| 240 | G | 34.5 | Very low | 35.5 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 114.2 | 122.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 241 | Q | 38.9 | Very low | 35.1 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 177.2 | 147.2 | 111.7 | -84 | -126.7 | -29.2 | 0 | 0 | 112 | |||||
| 242 | Q | 33.9 | Very low | 35.1 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -89.4 | -167.5 | -178 | -72.1 | -156.4 | -54.7 | 0 | 0 | 112.7 | ||||
| 243 | F | 36.5 | Very low | 34.6 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | 95.8 | 130.5 | 171.6 | -51.8 | -69.7 | 0 | 0 | 0 | 113.8 | ||||
| 244 | G | 35.8 | Very low | 34.8 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -177.2 | 158.5 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 245 | N | 30.6 | Very low | 35.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 137.3 | 177 | -94.6 | -28.8 | 0 | 0 | 0 | 112.2 | ||||
| 246 | V | 36.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -136.6 | 121 | 151.2 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | L248 | V246-L248 HydrophobicContact CG1-CD1 4.05Š| ||
| 247 | N | 28.4 | Very low | 37.3 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -101.9 | 121.8 | 172.3 | -164.7 | 1.2 | 0 | 0 | 0 | 106.4 | ||||
| 248 | L | 37.2 | Very low | 39.2 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -153.2 | 112.2 | 168.9 | -100.3 | 150.5 | 0 | 0 | 0 | 107.9 | V246 | V246-L248 HydrophobicContact CG1-CD1 4.05Š| ||
| 249 | G | 28.3 | Very low | 41.2 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 147.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 250 | I | 34.9 | Very low | 43 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | trans | -143.6 | 115.9 | 153.9 | -49.6 | 178.5 | 0 | 0 | 0 | 107.3 | A252 | I250-A252 PolarHBondContact O-N 2.91Š| ||
| 251 | T | 30.8 | Very low | 45 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | trans | -61.8 | 119.7 | 163.2 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 252 | A | 35.6 | Very low | 47 | Very low | 77 Ų | 77 | 115 Ų | 115 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -147.8 | 119.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I250 M254 | I250-A252 PolarHBondContact O-N 2.91Å; A252-M254 PolarHBondContact O-N 2.86Å | ||
| 253 | S | 30 | Very low | 49.3 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -40.4 | 120.2 | 169.3 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 254 | M | 39.8 | Very low | 51.4 | Low | 141 Ų | 141 | 105.3 Ų | 105.3 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -116.8 | 94 | 163.5 | -63.2 | -154.8 | -144.5 | 0 | 0 | 108.8 | A252 G256 P268 | A252-M254 PolarHBondContact O-N 2.86Å; M254-G256 PolarHBondContact O-N 3.37Å; M254-P268 HydrophobicContact CE-CB 4.18Å; M254-P268 HydrophobicContact CE-CG 3.79Å; M254-P268 HydrophobicContact SD-CB 3.95Å; M254-P268 HydrophobicContact SD-CG 3.88Å | ||
| 255 | Q | 48.7 | Very low | 53.7 | Low | 190 Ų | 190 | 103.7 Ų | 103.7 | 89% | 0.888 | 65% | 0.645 | S | S | * | * | trans | -56 | 119.5 | 153.9 | -75.7 | 168.2 | -23 | 0 | 0 | 106.6 | G257 | Q255-G257 PolarHBondContact O-N 2.95Š| ||
| 256 | G | 51.4 | Low | 56.2 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | -60.2 | 97.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | M254 L258 | M254-G256 PolarHBondContact O-N 3.37Å; G256-L258 PolarHBondContact O-N 3.22Å | ||
| 257 | G | 61.9 | Low | 58.5 | Low | 39 Ų | 39 | 95.8 Ų | 95.8 | 40% | 0.402 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 124.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q255 S265 | Q255-G257 PolarHBondContact O-N 2.95Å; G257-S265 WeakPolarHBondContact O-CB 3.3Å; G257-S265 PolarHBondContact O-OG 3.17Å |
| 258 | L | 74.3 | Confident | 61.3 | Low | 130 Ų | 130 | 90.9 Ų | 90.9 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | B | Isolated β-bridge | trans | -71.3 | 136.6 | 170.4 | -73.7 | 162.8 | 0 | 0 | 0 | 108.9 | G256 | G256-L258 PolarHBondContact O-N 3.22Å |
| 259 | C | 79.7 | Confident | 63.6 | Low | 4 Ų | 4 | 84.7 Ų | 84.7 | 3% | 0.027 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.5 | 166.1 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | T261 G262 V263 C285 | C259-T261 PolarHBondContact O-N 3.3Å; C259-G262 PolarHBondContact O-N 2.61Å; C259-V263 HydrophobicContact CB-CG2 3.98Å; C259-V263 WeakPolarHBondContact CB-O 3.39Å; C259-V263 PolarHBondContact N-O 3.5Å; C259-V263 VanDerWaalsContact N-O 3.09Å; C259-C285 VanDerWaalsContact CA-SG 3.58Å; C259-C285 HydrophobicContact CB-CB 3.79Å; C259-C285 WeakPolarHBondContact CB-SG 3.44Å; C259-C285 WeakPolarHBondContact SG-CA 3.14Å; C259-C285 WeakPolarHBondContact SG-CB 3.4Å; C259-C285 CovalentContact SG-SG 2.03Å; C259-C285 PolarHBondContact SG-SG 3.44Å |
| 260 | P | 76.3 | Confident | 66.3 | Low | 102 Ų | 102 | 89.3 Ų | 89.3 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -22.2 | 175.5 | -23.3 | 31.9 | 0 | 0 | 0 | 113.7 | M280 | P260-M280 VanDerWaalsContact CD-CE 3.45Å; P260-M280 HydrophobicContact CG-CE 3.65Å |
| 261 | T | 75.6 | Confident | 68.6 | Low | 78 Ų | 78 | 89.7 Ų | 89.7 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.3 | 177.1 | 46 | 0 | 0 | 0 | 0 | 114.4 | C259 V263 | C259-T261 PolarHBondContact O-N 3.3Å; T261-V263 VanDerWaalsContact C-N 3.28Å; T261-V263 PolarHBondContact O-N 3.47Å; T261-V263 WeakPolarHBondContact OG1-CG2 3Å |
| 262 | G | 80.2 | Confident | 71.1 | Confident | 54 Ų | 54 | 85.4 Ų | 85.4 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 80.3 | -0.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | C259 | C259-G262 PolarHBondContact O-N 2.61Š|
| 263 | V | 82.3 | Confident | 73.6 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 144.7 | 173.7 | -83.1 | 0 | 0 | 0 | 0 | 111.4 | C259 T261 P286 | C259-V263 HydrophobicContact CB-CG2 3.98Å; C259-V263 WeakPolarHBondContact CB-O 3.39Å; C259-V263 PolarHBondContact N-O 3.5Å; C259-V263 VanDerWaalsContact N-O 3.09Å; T261-V263 VanDerWaalsContact C-N 3.28Å; T261-V263 PolarHBondContact O-N 3.47Å; T261-V263 WeakPolarHBondContact OG1-CG2 3Å; V263-P286 HydrophobicContact CB-CG 4.44Å; V263-P286 HydrophobicContact CG2-CG 3.84Å |
| 264 | P | 81.8 | Confident | 76.2 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 67% | 0.669 | 51% | 0.51 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 138.8 | 175.2 | 24.9 | -31.6 | 0 | 0 | 0 | 110.5 | ||
| 265 | S | 83.1 | Confident | 78.2 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 25% | 0.252 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 144.7 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 112 | G257 G267 | G257-S265 WeakPolarHBondContact O-CB 3.3Å; G257-S265 PolarHBondContact O-OG 3.17Å; S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.24Å |
| 266 | L | 83.3 | Confident | 79.8 | Confident | 109 Ų | 109 | 76 Ų | 76 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | trans | -79.4 | -9.8 | 178.3 | -72.1 | 163.4 | 0 | 0 | 0 | 113.1 | P274 C284 | L266-P274 HydrophobicContact CB-CG 4.35Å; L266-P274 HydrophobicContact CD1-CG 3.96Å; L266-C284 HydrophobicContact CB-CB 4.07Å; L266-C284 PolarHBondContact N-O 3.05Å | ||
| 267 | G | 84.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 25% | 0.247 | 48% | 0.482 | C | S | . | . | S | Bend | trans | 146.4 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S265 A283 C284 | S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.24Å; G267-A283 WeakPolarHBondContact O-CA 3.46Å; G267-C284 PolarHBondContact O-N 2.97Å |
| 268 | P | 86.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 141.9 | 172.9 | 30.6 | -36.3 | 0 | 0 | 0 | 110.7 | M254 N270 G282 | M254-P268 HydrophobicContact CE-CB 4.18Å; M254-P268 HydrophobicContact CE-CG 3.79Å; M254-P268 HydrophobicContact SD-CB 3.95Å; M254-P268 HydrophobicContact SD-CG 3.88Å; P268-N270 PolarHBondContact O-N 2.86Å; P268-N270 VanDerWaalsContact O-N 3.12Å; P268-G282 WeakPolarHBondContact CA-O 3.48Å |
| 269 | C | 86.5 | Confident | 83.4 | Confident | 24 Ų | 24 | 71 Ų | 71 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -72.9 | -1.8 | -179 | -50.1 | 0 | 0 | 0 | 0 | 115.1 | I271 G272 C279 G282 A283 | C269-I271 PolarHBondContact O-N 2.98Å; C269-G272 PolarHBondContact O-N 2.94Å; C269-C279 HydrophobicContact CB-CB 3.69Å; C269-C279 WeakPolarHBondContact CB-SG 3.37Å; C269-C279 WeakPolarHBondContact SG-CA 3.04Å; C269-C279 WeakPolarHBondContact SG-CB 3.48Å; C269-C279 CovalentContact SG-SG 2.01Å; C269-C279 PolarHBondContact SG-SG 3.46Å; C269-G282 PolarHBondContact N-O 3.49Å; C269-G282 PolarHBondContact SG-O 3.41Å; C269-A283 PolarHBondContact SG-N 3.04Å; C269-A283 PolarHBondContact SG-O 3.04Å; C269-A283 VanDerWaalsContact SG-O 3.41Å |
| 270 | N | 85.4 | Confident | 83.6 | Confident | 163 Ų | 163 | 74.2 Ų | 74.2 | 87% | 0.872 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -62.6 | -18.2 | -171.1 | -119 | 10.8 | 0 | 0 | 0 | 114 | P268 | P268-N270 PolarHBondContact O-N 2.86Å; P268-N270 VanDerWaalsContact O-N 3.12Å |
| 271 | I | 81.9 | Confident | 84 | Confident | 167 Ų | 167 | 75.5 Ų | 75.5 | 86% | 0.856 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -113.3 | 6.8 | -179.5 | -51.9 | 175 | 0 | 0 | 0 | 110.7 | C269 | C269-I271 PolarHBondContact O-N 2.98Š|
| 272 | G | 84.2 | Confident | 84.4 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | trans | 87.7 | 155.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C269 | C269-G272 PolarHBondContact O-N 2.94Š| ||
| 273 | C | 88.6 | Confident | 84.8 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 28% | 0.277 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 143.7 | -178.2 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | S277 C284 | C273-S277 WeakPolarHBondContact CB-OG 3.32Å; C273-C284 WeakPolarHBondContact CA-SG 3.45Å; C273-C284 HydrophobicContact CB-CB 3.71Å; C273-C284 WeakPolarHBondContact CB-SG 3.47Å; C273-C284 WeakPolarHBondContact SG-CA 3.37Å; C273-C284 WeakPolarHBondContact SG-CB 3.17Å; C273-C284 CovalentContact SG-SG 2.03Å; C273-C284 PolarHBondContact SG-SG 3.35Å |
| 274 | P | 83.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.3 | 176.5 | 26.4 | -34.1 | 0 | 0 | 0 | 111.6 | L266 G276 S277 | L266-P274 HydrophobicContact CB-CG 4.35Å; L266-P274 HydrophobicContact CD1-CG 3.96Å; P274-G276 PolarHBondContact O-N 3.06Å; P274-S277 VanDerWaalsContact CD-OG 3.3Å; P274-S277 WeakPolarHBondContact CD-OG 3.43Å; P274-S277 WeakPolarHBondContact CG-OG 2.96Å; P274-S277 PolarHBondContact O-N 2.81Å; P274-S277 PolarHBondContact O-OG 2.63Å |
| 275 | T | 82.8 | Confident | 85.7 | Confident | 161 Ų | 161 | 64.9 Ų | 64.9 | 99% | 0.988 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 125.4 | -179.6 | -43.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 276 | G | 81.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 60% | 0.598 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | 1.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P274 M287 | P274-G276 PolarHBondContact O-N 3.06Å; G276-M287 PolarHBondContact O-N 2.83Å; G276-M287 VanDerWaalsContact O-N 3.17Å |
| 277 | S | 85.8 | Confident | 85.4 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 12% | 0.119 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.2 | 171.5 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | C273 P274 C285 | C273-S277 WeakPolarHBondContact CB-OG 3.32Å; P274-S277 VanDerWaalsContact CD-OG 3.3Å; P274-S277 WeakPolarHBondContact CD-OG 3.43Å; P274-S277 WeakPolarHBondContact CG-OG 2.96Å; P274-S277 PolarHBondContact O-N 2.81Å; P274-S277 PolarHBondContact O-OG 2.63Å; S277-C285 CarbonylContact C-O 3.57Å; S277-C285 WeakPolarHBondContact CA-O 3.36Å; S277-C285 VanDerWaalsContact CB-O 3.29Å; S277-C285 WeakPolarHBondContact CB-O 3.33Å |
| 278 | V | 87 | Confident | 84.5 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 33% | 0.327 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.4 | 175.5 | 62.9 | 0 | 0 | 0 | 0 | 108.9 | M280 C285 M287 | V278-M280 HydrophobicContact CG1-CG 4.19Å; V278-M280 PolarHBondContact O-N 2.87Å; V278-C285 PolarHBondContact N-O 3.09Å; V278-C285 PolarHBondContact O-N 3.11Å; V278-M287 HydrophobicContact CB-CE 4.33Å; V278-M287 HydrophobicContact CB-CG 3.98Å; V278-M287 HydrophobicContact CG1-CG 3.72Å |
| 279 | C | 90.8 | Very high | 82.9 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.1 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | C269 | C269-C279 HydrophobicContact CB-CB 3.69Å; C269-C279 WeakPolarHBondContact CB-SG 3.37Å; C269-C279 WeakPolarHBondContact SG-CA 3.04Å; C269-C279 WeakPolarHBondContact SG-CB 3.48Å; C269-C279 CovalentContact SG-SG 2.01Å; C269-C279 PolarHBondContact SG-SG 3.46Å |
| 280 | M | 83.8 | Confident | 81 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.3 | 169.7 | -72.6 | -167.3 | -46 | 0 | 0 | 110.2 | P260 V278 G282 A283 C285 | P260-M280 VanDerWaalsContact CD-CE 3.45Å; P260-M280 HydrophobicContact CG-CE 3.65Å; V278-M280 HydrophobicContact CG1-CG 4.19Å; V278-M280 PolarHBondContact O-N 2.87Å; M280-G282 PolarHBondContact O-N 3.05Å; M280-A283 PolarHBondContact N-O 3.07Å; M280-A283 PolarHBondContact O-N 3.47Å; M280-C285 HydrophobicContact CE-CB 3.99Å |
| 281 | S | 83.9 | Confident | 79.1 | Confident | 128 Ų | 128 | 78 Ų | 78 | 90% | 0.895 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.6 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 114.2 | A283 | S281-A283 VanDerWaalsContact C-N 3.27Å; S281-A283 PolarHBondContact O-N 3.16Å |
| 282 | G | 85.1 | Confident | 76.9 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 1.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P268 C269 M280 | P268-G282 WeakPolarHBondContact CA-O 3.48Å; C269-G282 PolarHBondContact N-O 3.49Å; C269-G282 PolarHBondContact SG-O 3.41Å; M280-G282 PolarHBondContact O-N 3.05Å |
| 283 | A | 87.8 | Confident | 74.9 | Confident | 14 Ų | 14 | 79 Ų | 79 | 12% | 0.116 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G267 C269 M280 S281 C285 | G267-A283 WeakPolarHBondContact O-CA 3.46Å; C269-A283 PolarHBondContact SG-N 3.04Å; C269-A283 PolarHBondContact SG-O 3.04Å; C269-A283 VanDerWaalsContact SG-O 3.41Å; M280-A283 PolarHBondContact N-O 3.07Å; M280-A283 PolarHBondContact O-N 3.47Å; S281-A283 VanDerWaalsContact C-N 3.27Å; S281-A283 PolarHBondContact O-N 3.16Å; A283-C285 PolarHBondContact O-N 3.17Å |
| 284 | C | 93.2 | Very high | 72.5 | Confident | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.02 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.4 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | L266 G267 C273 | L266-C284 HydrophobicContact CB-CB 4.07Å; L266-C284 PolarHBondContact N-O 3.05Å; G267-C284 PolarHBondContact O-N 2.97Å; C273-C284 WeakPolarHBondContact CA-SG 3.45Å; C273-C284 HydrophobicContact CB-CB 3.71Å; C273-C284 WeakPolarHBondContact CB-SG 3.47Å; C273-C284 WeakPolarHBondContact SG-CA 3.37Å; C273-C284 WeakPolarHBondContact SG-CB 3.17Å; C273-C284 CovalentContact SG-SG 2.03Å; C273-C284 PolarHBondContact SG-SG 3.35Å |
| 285 | C | 90.9 | Very high | 70.1 | Confident | 2 Ų | 2 | 88 Ų | 88 | 1% | 0.014 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.2 | -175.5 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | C259 S277 V278 M280 A283 M287 | C259-C285 VanDerWaalsContact CA-SG 3.58Å; C259-C285 HydrophobicContact CB-CB 3.79Å; C259-C285 WeakPolarHBondContact CB-SG 3.44Å; C259-C285 WeakPolarHBondContact SG-CA 3.14Å; C259-C285 WeakPolarHBondContact SG-CB 3.4Å; C259-C285 CovalentContact SG-SG 2.03Å; C259-C285 PolarHBondContact SG-SG 3.44Å; S277-C285 CarbonylContact C-O 3.57Å; S277-C285 WeakPolarHBondContact CA-O 3.36Å; S277-C285 VanDerWaalsContact CB-O 3.29Å; S277-C285 WeakPolarHBondContact CB-O 3.33Å; V278-C285 PolarHBondContact N-O 3.09Å; V278-C285 PolarHBondContact O-N 3.11Å; M280-C285 HydrophobicContact CE-CB 3.99Å; A283-C285 PolarHBondContact O-N 3.17Å; C285-M287 PolarHBondContact O-N 3.45Å |
| 286 | P | 83.4 | Confident | 68.1 | Low | 53 Ų | 53 | 87 Ų | 87 | 34% | 0.344 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.2 | 178.1 | 27.3 | -33.2 | 0 | 0 | 0 | 110.5 | V263 S288 | V263-P286 HydrophobicContact CB-CG 4.44Å; V263-P286 HydrophobicContact CG2-CG 3.84Å; P286-S288 PolarHBondContact O-N 2.78Å |
| 287 | M | 75.5 | Confident | 66.3 | Low | 141 Ų | 141 | 89.9 Ų | 89.9 | 70% | 0.695 | 54% | 0.536 | S | S | * | . | trans | -71.5 | 109.7 | 176 | -87.7 | -154.7 | -107.8 | 0 | 0 | 109.7 | G276 V278 C285 S289 | G276-M287 PolarHBondContact O-N 2.83Å; G276-M287 VanDerWaalsContact O-N 3.17Å; V278-M287 HydrophobicContact CB-CE 4.33Å; V278-M287 HydrophobicContact CB-CG 3.98Å; V278-M287 HydrophobicContact CG1-CG 3.72Å; C285-M287 PolarHBondContact O-N 3.45Å; M287-S289 PolarHBondContact O-N 3.24Å | ||
| 288 | S | 65.4 | Low | 64.2 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | -76.4 | 109.8 | 160.7 | 43.5 | 0 | 0 | 0 | 0 | 108.5 | P286 | P286-S288 PolarHBondContact O-N 2.78Š| ||
| 289 | S | 53.8 | Low | 62 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | trans | -56.7 | 133.4 | 173.2 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | M287 F291 | M287-S289 PolarHBondContact O-N 3.24Å; S289-F291 PolarHBondContact O-N 2.96Å | ||
| 290 | P | 46.2 | Very low | 59.6 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 79% | 0.792 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -76.8 | 20 | -172.7 | 29.1 | -34 | 0 | 0 | 0 | 116 | ||
| 291 | F | 46.6 | Very low | 57.6 | Low | 187 Ų | 187 | 105.6 Ų | 105.6 | 82% | 0.82 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -109 | 102.3 | 170.7 | -68.9 | -78.6 | 0 | 0 | 0 | 109.6 | S289 M293 | S289-F291 PolarHBondContact O-N 2.96Å; F291-M293 PolarHBondContact O-N 3.05Å |
| 292 | G | 36.1 | Very low | 55.9 | Low | 74 Ų | 74 | 104.1 Ų | 104.1 | 76% | 0.763 | 61% | 0.606 | S | S | * | * | trans | -61.9 | 129.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 293 | M | 40.9 | Very low | 54.3 | Low | 166 Ų | 166 | 106.2 Ų | 106.2 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 162.8 | 115.7 | 143.8 | -80.1 | -102.3 | 175.8 | 0 | 0 | 108.2 | F291 | F291-M293 PolarHBondContact O-N 3.05Š|
| 294 | F | 39 | Very low | 52.4 | Low | 173 Ų | 173 | 110.2 Ų | 110.2 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | trans | 68.9 | 88.1 | 169.9 | -60 | -80.2 | 0 | 0 | 0 | 119.2 | Y296 | F294-Y296 HydrophobicContact CB-CE2 4.44Å; F294-Y296 PolarHBondContact O-N 2.82Å | ||
| 295 | S | 33.9 | Very low | 50.9 | Low | 129 Ų | 129 | 114 Ų | 114 | 90% | 0.902 | 65% | 0.653 | S | S | * | * | trans | -72.9 | 102.1 | 162.2 | -38 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 296 | Y | 40.1 | Very low | 50.1 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 55% | 0.549 | 68% | 0.675 | S | S | . | * | trans | -86.6 | 134.5 | 157.8 | -80.3 | -94.8 | 0 | 0 | 0 | 109 | F294 Q298 | F294-Y296 HydrophobicContact CB-CE2 4.44Å; F294-Y296 PolarHBondContact O-N 2.82Å; Y296-Q298 PolarHBondContact O-N 3.4Å | ||
| 297 | P | 42.2 | Very low | 49.9 | Very low | 117 Ų | 117 | 116 Ų | 116 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | trans | -67.1 | 124 | 171.6 | 25 | -29.2 | 0 | 0 | 0 | 110.4 | M299 | P297-M299 PolarHBondContact O-N 3.27Š| ||
| 298 | Q | 43 | Very low | 50.2 | Low | 194 Ų | 194 | 115.4 Ų | 115.4 | 91% | 0.907 | 66% | 0.659 | S | S | * | * | trans | -15.7 | 107.6 | 164.6 | -93.2 | -175.7 | 13.8 | 0 | 0 | 115.2 | Y296 | Y296-Q298 PolarHBondContact O-N 3.4Š| ||
| 299 | M | 39.9 | Very low | 50.8 | Low | 99 Ų | 99 | 115.4 Ų | 115.4 | 49% | 0.488 | 66% | 0.659 | S | S | . | * | trans | -96.9 | 131.7 | 141.9 | -62.3 | -159.7 | -149.2 | 0 | 0 | 106.6 | F162 P297 F301 | F162-M299 HydrophobicContact CB-SD 4.31Å; P297-M299 PolarHBondContact O-N 3.27Å; M299-F301 PolarHBondContact O-N 3.42Å | ||
| 300 | G | 41.1 | Very low | 52 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 86% | 0.856 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -66.4 | 63.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 301 | F | 41.3 | Very low | 53.7 | Low | 158 Ų | 158 | 109.7 Ų | 109.7 | 69% | 0.693 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 130 | 160.2 | -82.8 | -87.7 | 0 | 0 | 0 | 108.8 | M299 | M299-F301 PolarHBondContact O-N 3.42Š|
| 302 | P | 48.3 | Very low | 55.3 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.2 | 165.7 | 25.1 | -31.1 | 0 | 0 | 0 | 108.2 | ||
| 303 | P | 51.2 | Low | 57.5 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 145.2 | 171.1 | 24.4 | -32.6 | 0 | 0 | 0 | 108.4 | Q305 | P303-Q305 PolarHBondContact O-N 2.01Š|
| 304 | P | 49.8 | Very low | 59.6 | Low | 97 Ų | 97 | 101.4 Ų | 101.4 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | trans | -52.4 | 109.6 | 178 | 21.4 | -31.1 | 0 | 0 | 0 | 108.2 | L306 L312 | P304-L306 PolarHBondContact O-N 2.9Å; P304-L306 VanDerWaalsContact O-N 3.17Å; P304-L312 HydrophobicContact CB-CD2 4.36Å | ||
| 305 | Q | 61.2 | Low | 61.6 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 39% | 0.393 | 57% | 0.568 | S | S | . | * | trans | -67.7 | 115.9 | -179.9 | -62.8 | -96.6 | -84.8 | 0 | 0 | 105.6 | P303 P313 Q329 | P303-Q305 PolarHBondContact O-N 2.01Å; Q305-P313 VanDerWaalsContact O-CD 3.23Å; Q305-P313 WeakPolarHBondContact O-CD 3.32Å; Q305-P313 WeakPolarHBondContact O-CG 3.4Å; Q305-Q329 HydrophobicContact CB-CB 3.87Å; Q305-Q329 HydrophobicContact CG-CB 4.16Å; Q305-Q329 VanDerWaalsContact OE1-OE1 3.05Å | ||
| 306 | L | 72.5 | Confident | 64 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | trans | -63.3 | 142.5 | 172.5 | -64.6 | 169.8 | 0 | 0 | 0 | 107.9 | P304 L312 | P304-L306 PolarHBondContact O-N 2.9Å; P304-L306 VanDerWaalsContact O-N 3.17Å; L306-L312 HydrophobicContact CD2-CD2 3.92Å; L306-L312 HydrophobicContact CD2-CG 4.27Å | ||
| 307 | C | 80.8 | Confident | 66.2 | Low | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.041 | 53% | 0.528 | C | S | . | . | trans | -55.1 | 158 | 166.7 | -61.2 | 0 | 0 | 0 | 0 | 110 | S309 G310 A311 C333 | C307-S309 WeakPolarHBondContact CB-OG 3.45Å; C307-S309 PolarHBondContact O-N 3.01Å; C307-G310 PolarHBondContact O-N 2.86Å; C307-A311 HydrophobicContact CB-CB 4.45Å; C307-A311 WeakPolarHBondContact CB-O 3.39Å; C307-A311 PolarHBondContact N-O 2.04Å; C307-A311 PolarHBondContact SG-O 2.82Å; C307-C333 WeakPolarHBondContact CA-SG 3.26Å; C307-C333 HydrophobicContact CB-CB 3.5Å; C307-C333 WeakPolarHBondContact CB-SG 2.91Å; C307-C333 WeakPolarHBondContact SG-CA 3.35Å; C307-C333 WeakPolarHBondContact SG-CB 3.37Å; C307-C333 CovalentContact SG-SG 2.02Å; C307-C333 PolarHBondContact SG-SG 3.32Å | ||
| 308 | L | 80.3 | Confident | 68.1 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 67% | 0.67 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.5 | 175.1 | -108.9 | 73.4 | 0 | 0 | 0 | 112.6 | G310 E328 | L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.9Å; L308-E328 WeakPolarHBondContact CB-OE2 3.49Å; L308-E328 VanDerWaalsContact CD1-CD 3.49Å; L308-E328 HydrophobicContact CD1-CG 4.14Å; L308-E328 VanDerWaalsContact CD1-OE1 3.28Å; L308-E328 WeakPolarHBondContact CD1-OE1 2.95Å; L308-E328 PolarHBondContact N-OE2 2.81Å |
| 309 | S | 78.7 | Confident | 69.6 | Low | 87 Ų | 87 | 87.9 Ų | 87.9 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.5 | 172.7 | 58.6 | 0 | 0 | 0 | 0 | 115.4 | C307 A311 | C307-S309 WeakPolarHBondContact CB-OG 3.45Å; C307-S309 PolarHBondContact O-N 3.01Å; S309-A311 VanDerWaalsContact C-N 3.28Å; S309-A311 PolarHBondContact O-N 2.03Å |
| 310 | G | 79.9 | Confident | 71.6 | Confident | 50 Ų | 50 | 85.6 Ų | 85.6 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 79.7 | 1.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C307 L308 | C307-G310 PolarHBondContact O-N 2.86Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.9Å |
| 311 | A | 80.2 | Confident | 74 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 152.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | C307 S309 | C307-A311 HydrophobicContact CB-CB 4.45Å; C307-A311 WeakPolarHBondContact CB-O 3.39Å; C307-A311 PolarHBondContact N-O 2.04Å; C307-A311 PolarHBondContact SG-O 2.82Å; S309-A311 VanDerWaalsContact C-N 3.28Å; S309-A311 PolarHBondContact O-N 2.03Å |
| 312 | L | 81.7 | Confident | 76 | Confident | 125 Ų | 125 | 79.2 Ų | 79.2 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -71 | 134 | 170 | -73.2 | 164.6 | 0 | 0 | 0 | 109.8 | P304 L306 | P304-L312 HydrophobicContact CB-CD2 4.36Å; L306-L312 HydrophobicContact CD2-CD2 3.92Å; L306-L312 HydrophobicContact CD2-CG 4.27Å |
| 313 | P | 82 | Confident | 77.9 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 139.9 | 179 | 26.4 | -34 | 0 | 0 | 0 | 110.9 | Q305 G315 C332 | Q305-P313 VanDerWaalsContact O-CD 3.23Å; Q305-P313 WeakPolarHBondContact O-CD 3.32Å; Q305-P313 WeakPolarHBondContact O-CG 3.4Å; P313-G315 PolarHBondContact O-N 3.33Å; P313-C332 WeakPolarHBondContact CA-O 3.03Å |
| 314 | V | 83.9 | Confident | 79.6 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -69.9 | -18.9 | -178.1 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | Y325 C332 | V314-Y325 HydrophobicContact CB-CE1 4.17Å; V314-Y325 HydrophobicContact CG2-CD1 4.03Å; V314-Y325 HydrophobicContact CG2-CE1 3.3Å; V314-C332 PolarHBondContact N-O 2.03Å |
| 315 | G | 81.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 179.9 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P313 G331 C332 | P313-G315 PolarHBondContact O-N 3.33Å; G315-G331 CarbonylContact O-C 3.56Å; G315-G331 WeakPolarHBondContact O-CA 3.49Å; G315-C332 PolarHBondContact O-N 3.06Å |
| 316 | A | 83.6 | Confident | 82.8 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 136.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F318 A330 | A316-F318 VanDerWaalsContact C-N 3.31Å; A316-F318 HydrophobicContact CB-CD2 3.59Å; A316-F318 HydrophobicContact CB-CE2 3.81Å; A316-F318 PolarHBondContact O-N 3.21Å; A316-A330 CarbonylContact C-O 3.44Å; A316-A330 WeakPolarHBondContact CA-O 3.46Å |
| 317 | C | 88.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 8% | 0.081 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -86 | 11.7 | -173.3 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | K319 G320 C321 C327 A330 C332 | C317-K319 PolarHBondContact O-N 2.81Å; C317-G320 PolarHBondContact O-N 2.96Å; C317-C321 WeakPolarHBondContact CB-SG 3.48Å; C317-C327 HydrophobicContact CB-CB 3.37Å; C317-C327 WeakPolarHBondContact CB-SG 2.96Å; C317-C327 WeakPolarHBondContact SG-CB 3.4Å; C317-C327 CovalentContact SG-SG 2.02Å; C317-C327 PolarHBondContact SG-SG 3.04Å; C317-A330 PolarHBondContact N-O 2.69Å; C317-A330 WeakPolarHBondContact SG-CA 3.44Å; C317-C332 VanDerWaalsContact CB-SG 3.59Å |
| 318 | F | 80.5 | Confident | 83.8 | Confident | 176 Ų | 176 | 77.5 Ų | 77.5 | 77% | 0.772 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -58.8 | -15.2 | -178.9 | -61.5 | -73.3 | 0 | 0 | 0 | 115.1 | A316 A330 | A316-F318 VanDerWaalsContact C-N 3.31Å; A316-F318 HydrophobicContact CB-CD2 3.59Å; A316-F318 HydrophobicContact CB-CE2 3.81Å; A316-F318 PolarHBondContact O-N 3.21Å; F318-A330 HydrophobicContact CZ-CB 4.13Å |
| 319 | K | 74.3 | Confident | 83.8 | Confident | 183 Ų | 183 | 76.1 Ų | 76.1 | 80% | 0.796 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -122.7 | 14.9 | 174.7 | -76.7 | -172.8 | 175.1 | -178.4 | 0 | 113.9 | C317 | C317-K319 PolarHBondContact O-N 2.81Š|
| 320 | G | 83.6 | Confident | 83.9 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | trans | 92.3 | 162.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | C317 | C317-G320 PolarHBondContact O-N 2.96Š| ||
| 321 | C | 90.4 | Very high | 84.1 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 24% | 0.243 | 45% | 0.452 | C | S | . | . | trans | -104.4 | 150.6 | -178.9 | -66 | 0 | 0 | 0 | 0 | 112 | C317 C332 | C317-C321 WeakPolarHBondContact CB-SG 3.48Å; C321-C332 WeakPolarHBondContact CA-SG 3.43Å; C321-C332 HydrophobicContact CB-CB 3.69Å; C321-C332 WeakPolarHBondContact CB-SG 3.29Å; C321-C332 WeakPolarHBondContact SG-CA 3.02Å; C321-C332 WeakPolarHBondContact SG-CB 3.35Å; C321-C332 CovalentContact SG-SG 2.04Å; C321-C332 PolarHBondContact SG-SG 3.3Å | ||
| 322 | P | 84.2 | Confident | 84.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | trans | -58.9 | 152.4 | 171 | 23.9 | -30.1 | 0 | 0 | 0 | 110.5 | G324 Y325 | P322-G324 PolarHBondContact O-N 3.35Å; P322-Y325 HydrophobicContact CB-CD2 4.37Å; P322-Y325 HydrophobicContact CG-CD2 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.24Å; P322-Y325 HydrophobicContact CG-CG 4.26Å; P322-Y325 WeakPolarHBondContact O-CB 2.89Å; P322-Y325 WeakPolarHBondContact O-CD2 3.26Å; P322-Y325 PolarHBondContact O-N 3.22Å; P322-Y325 VanDerWaalsContact O-N 3.11Å | ||
| 323 | G | 87.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 85% | 0.845 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 134.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 324 | G | 87.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 69 Ų | 69 | 58% | 0.577 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -5.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P322 A335 | P322-G324 PolarHBondContact O-N 3.35Å; G324-A335 PolarHBondContact O-N 3.29Å; G324-A335 VanDerWaalsContact O-N 3.11Å |
| 325 | Y | 90.6 | Very high | 84.9 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 30% | 0.302 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.7 | 177.8 | -63.5 | -101.2 | 0 | 0 | 0 | 111.1 | V314 P322 C333 Q334 | V314-Y325 HydrophobicContact CB-CE1 4.17Å; V314-Y325 HydrophobicContact CG2-CD1 4.03Å; V314-Y325 HydrophobicContact CG2-CE1 3.3Å; P322-Y325 HydrophobicContact CB-CD2 4.37Å; P322-Y325 HydrophobicContact CG-CD2 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.24Å; P322-Y325 HydrophobicContact CG-CG 4.26Å; P322-Y325 WeakPolarHBondContact O-CB 2.89Å; P322-Y325 WeakPolarHBondContact O-CD2 3.26Å; P322-Y325 PolarHBondContact O-N 3.22Å; P322-Y325 VanDerWaalsContact O-N 3.11Å; Y325-C333 CarbonylContact C-O 3.55Å; Y325-C333 WeakPolarHBondContact CA-O 2.84Å; Y325-C333 VanDerWaalsContact CD1-C 3.46Å; Y325-Q334 HydrophobicContact CD1-CB 4.07Å; Y325-Q334 VanDerWaalsContact CD1-N 3.3Å; Y325-Q334 HydrophobicContact CE1-CB 3.87Å |
| 326 | I | 87.7 | Confident | 83.9 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 148 | 170.5 | 55.5 | 169.4 | 0 | 0 | 0 | 109.8 | E328 C333 A335 | I326-E328 PolarHBondContact O-N 2.63Å; I326-C333 WeakPolarHBondContact CG1-O 3.03Å; I326-C333 PolarHBondContact N-O 2.96Å; I326-C333 PolarHBondContact O-N 2.72Å; I326-A335 HydrophobicContact CG2-CB 4.12Å |
| 327 | C | 89.5 | Confident | 82.4 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.2 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | C317 G331 | C317-C327 HydrophobicContact CB-CB 3.37Å; C317-C327 WeakPolarHBondContact CB-SG 2.96Å; C317-C327 WeakPolarHBondContact SG-CB 3.4Å; C317-C327 CovalentContact SG-SG 2.02Å; C317-C327 PolarHBondContact SG-SG 3.04Å; C327-G331 CarbonylContact C-O 3.6Å; C327-G331 WeakPolarHBondContact CA-O 3.15Å |
| 328 | E | 85 | Confident | 80.3 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 23% | 0.229 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.9 | -179.6 | -157.4 | 172.6 | -137.7 | 0 | 0 | 108.7 | L308 I326 A330 G331 C333 | L308-E328 WeakPolarHBondContact CB-OE2 3.49Å; L308-E328 VanDerWaalsContact CD1-CD 3.49Å; L308-E328 HydrophobicContact CD1-CG 4.14Å; L308-E328 VanDerWaalsContact CD1-OE1 3.28Å; L308-E328 WeakPolarHBondContact CD1-OE1 2.95Å; L308-E328 PolarHBondContact N-OE2 2.81Å; I326-E328 PolarHBondContact O-N 2.63Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.9Å; E328-A330 VanDerWaalsContact O-N 3.16Å; E328-G331 PolarHBondContact N-O 3.05Å; E328-G331 PolarHBondContact O-N 3.05Å; E328-G331 VanDerWaalsContact O-O 3.09Å; E328-C333 HydrophobicContact CB-CB 4.13Å |
| 329 | Q | 80.6 | Confident | 78.4 | Confident | 100 Ų | 100 | 77.9 Ų | 77.9 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 44 | 179.3 | -62.6 | -178.4 | 7.7 | 0 | 0 | 114.6 | Q305 G331 | Q305-Q329 HydrophobicContact CB-CB 3.87Å; Q305-Q329 HydrophobicContact CG-CB 4.16Å; Q305-Q329 VanDerWaalsContact OE1-OE1 3.05Å; Q329-G331 PolarHBondContact O-N 2.83Å |
| 330 | A | 79.3 | Confident | 77 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 5.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A316 C317 F318 E328 | A316-A330 CarbonylContact C-O 3.44Å; A316-A330 WeakPolarHBondContact CA-O 3.46Å; C317-A330 PolarHBondContact N-O 2.69Å; C317-A330 WeakPolarHBondContact SG-CA 3.44Å; F318-A330 HydrophobicContact CZ-CB 4.13Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.9Å; E328-A330 VanDerWaalsContact O-N 3.16Å |
| 331 | G | 84.7 | Confident | 75 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 4% | 0.041 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 155.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G315 C327 E328 Q329 | G315-G331 CarbonylContact O-C 3.56Å; G315-G331 WeakPolarHBondContact O-CA 3.49Å; C327-G331 CarbonylContact C-O 3.6Å; C327-G331 WeakPolarHBondContact CA-O 3.15Å; E328-G331 PolarHBondContact N-O 3.05Å; E328-G331 PolarHBondContact O-N 3.05Å; E328-G331 VanDerWaalsContact O-O 3.09Å; Q329-G331 PolarHBondContact O-N 2.83Å |
| 332 | C | 91.9 | Very high | 72.8 | Confident | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.02 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 110.5 | 171.6 | -69.4 | 0 | 0 | 0 | 0 | 110.6 | P313 V314 G315 C317 C321 | P313-C332 WeakPolarHBondContact CA-O 3.03Å; V314-C332 PolarHBondContact N-O 2.03Å; G315-C332 PolarHBondContact O-N 3.06Å; C317-C332 VanDerWaalsContact CB-SG 3.59Å; C321-C332 WeakPolarHBondContact CA-SG 3.43Å; C321-C332 HydrophobicContact CB-CB 3.69Å; C321-C332 WeakPolarHBondContact CB-SG 3.29Å; C321-C332 WeakPolarHBondContact SG-CA 3.02Å; C321-C332 WeakPolarHBondContact SG-CB 3.35Å; C321-C332 CovalentContact SG-SG 2.04Å; C321-C332 PolarHBondContact SG-SG 3.3Å |
| 333 | C | 91.5 | Very high | 70.7 | Confident | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.014 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.4 | -171.9 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | C307 Y325 I326 E328 A335 | C307-C333 WeakPolarHBondContact CA-SG 3.26Å; C307-C333 HydrophobicContact CB-CB 3.5Å; C307-C333 WeakPolarHBondContact CB-SG 2.91Å; C307-C333 WeakPolarHBondContact SG-CA 3.35Å; C307-C333 WeakPolarHBondContact SG-CB 3.37Å; C307-C333 CovalentContact SG-SG 2.02Å; C307-C333 PolarHBondContact SG-SG 3.32Å; Y325-C333 CarbonylContact C-O 3.55Å; Y325-C333 WeakPolarHBondContact CA-O 2.84Å; Y325-C333 VanDerWaalsContact CD1-C 3.46Å; I326-C333 WeakPolarHBondContact CG1-O 3.03Å; I326-C333 PolarHBondContact N-O 2.96Å; I326-C333 PolarHBondContact O-N 2.72Å; E328-C333 HydrophobicContact CB-CB 4.13Å; C333-A335 PolarHBondContact O-N 2.01Å |
| 334 | Q | 86.2 | Confident | 68.8 | Low | 135 Ų | 135 | 91.4 Ų | 91.4 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 130.3 | -178.4 | -171.5 | 171.4 | -15.9 | 0 | 0 | 108.5 | Y325 G336 | Y325-Q334 HydrophobicContact CD1-CB 4.07Å; Y325-Q334 VanDerWaalsContact CD1-N 3.3Å; Y325-Q334 HydrophobicContact CE1-CB 3.87Å; Q334-G336 PolarHBondContact O-N 3.47Å |
| 335 | A | 74.9 | Confident | 66.7 | Low | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | trans | -59.5 | 106.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | G324 I326 C333 M337 | G324-A335 PolarHBondContact O-N 3.29Å; G324-A335 VanDerWaalsContact O-N 3.11Å; I326-A335 HydrophobicContact CG2-CB 4.12Å; C333-A335 PolarHBondContact O-N 2.01Å; A335-M337 PolarHBondContact O-N 3.4Å | ||
| 336 | G | 60.9 | Low | 64.6 | Low | 65 Ų | 65 | 102.2 Ų | 102.2 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | trans | -58.8 | 112 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q334 N338 | Q334-G336 PolarHBondContact O-N 3.47Å; G336-N338 PolarHBondContact O-N 3.49Å | ||
| 337 | M | 51.3 | Low | 62.8 | Low | 181 Ų | 181 | 103 Ų | 103 | 89% | 0.892 | 60% | 0.597 | S | S | * | * | trans | -57.7 | 118.4 | 155.7 | -70.3 | -174.5 | 148.8 | 0 | 0 | 106.4 | A335 P339 | A335-M337 PolarHBondContact O-N 3.4Å; M337-P339 VanDerWaalsContact O-CD 3.27Å; M337-P339 WeakPolarHBondContact O-CD 3.47Å; M337-P339 VanDerWaalsContact O-N 3.08Å | ||
| 338 | N | 45.7 | Very low | 60.9 | Low | 150 Ų | 150 | 108.8 Ų | 108.8 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | trans | -41.9 | 115.8 | 174.5 | -109.1 | -19.2 | 0 | 0 | 0 | 109.9 | G336 L340 | G336-N338 PolarHBondContact O-N 3.49Å; N338-L340 PolarHBondContact O-N 3.09Å; N338-L340 VanDerWaalsContact O-N 3.13Å | ||
| 339 | P | 39.2 | Very low | 59 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -89.3 | 54.4 | 175.2 | 34.7 | -29.4 | 0 | 0 | 0 | 109.2 | M337 | M337-P339 VanDerWaalsContact O-CD 3.27Å; M337-P339 WeakPolarHBondContact O-CD 3.47Å; M337-P339 VanDerWaalsContact O-N 3.08Å |
| 340 | L | 44.9 | Very low | 57.3 | Low | 151 Ų | 151 | 113.4 Ų | 113.4 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | trans | -159.5 | 81.5 | 176.2 | -93.9 | 176.2 | 0 | 0 | 0 | 110.9 | N338 | N338-L340 PolarHBondContact O-N 3.09Å; N338-L340 VanDerWaalsContact O-N 3.13Å | ||
| 341 | S | 42.7 | Very low | 55.7 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 88% | 0.881 | 66% | 0.66 | S | S | * | * | trans | -161.6 | 98.7 | 149.7 | -91.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 342 | Y | 44.6 | Very low | 54 | Low | 240 Ų | 240 | 122.8 Ų | 122.8 | 94% | 0.941 | 70% | 0.701 | S | S | * | * | trans | -64.1 | 134.4 | 160.9 | -102.2 | -103.9 | 0 | 0 | 0 | 109.6 | ||||
| 343 | G | 38.6 | Very low | 52.1 | Low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 170 | 100.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 344 | P | 48.5 | Very low | 50.3 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -90.8 | 146.9 | 178.4 | 35.2 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 345 | M | 43.4 | Very low | 48.6 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -177.7 | 100.5 | 141.5 | -82.2 | -128.7 | 156.8 | 0 | 0 | 109.9 | ||||
| 346 | L | 46.3 | Very low | 47.6 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | 21.8 | 160.4 | 127.6 | -82.8 | 168.5 | 0 | 0 | 0 | 121.9 | |||||
| 347 | P | 49.7 | Very low | 46.8 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | -120.2 | 174.5 | -122.4 | 42.3 | -29 | 0 | 0 | 0 | 113.2 | |||||
| 348 | Y | 48.4 | Very low | 47.5 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -170.1 | 135.2 | 152.8 | -128.2 | -127.3 | 0 | 0 | 0 | 113.9 | ||||
| 349 | M | 45.6 | Very low | 48 | Very low | 128 Ų | 128 | 139 Ų | 139 | 63% | 0.631 | 81% | 0.806 | S | S | * | * | trans | 68.8 | 113.2 | 150.2 | -61.3 | -75.5 | 155.3 | 0 | 0 | 118.9 | ||||
| 350 | S | 45.6 | Very low | 48.6 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | 83.2 | 123.1 | 60.9 | -65.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 351 | G | 44.4 | Very low | 48.4 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 144.6 | 82.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 352 | M | 50 | Low | 48.6 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | 53.3 | 111 | 90.4 | -69.8 | -170.6 | 173.3 | 0 | 0 | 115.4 | |||||
| 353 | F | 52.2 | Low | 48.8 | Very low | 205 Ų | 205 | 136 Ų | 136 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | 174.4 | 135.3 | 121.6 | -104.7 | -77.9 | 0 | 0 | 0 | 111.7 | |||||
| 354 | P | 52.5 | Low | 49.3 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -113 | 161.2 | 174.5 | 38.4 | -28.3 | 0 | 0 | 0 | 114.8 | ||||
| 355 | G | 51.7 | Low | 49.1 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 109.5 | 168.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 356 | P | 52.6 | Low | 49.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | cis | -132 | 178.8 | -30.5 | 34.2 | -14.7 | 0 | 0 | 0 | 113.2 | ||||
| 357 | L | 43.8 | Very low | 49.5 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -56.3 | 158.3 | 176.4 | -64.7 | 159 | 0 | 0 | 0 | 115.1 | ||||
| 358 | P | 67.3 | Low | 49.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -114.4 | 143.1 | 144.3 | 34 | -25.3 | 0 | 0 | 0 | 112.4 | ||||
| 359 | P | 55.8 | Low | 49.1 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -101.8 | -179.9 | 167.7 | 27.5 | -10.4 | 0 | 0 | 0 | 112.4 | ||||
| 360 | Y | 51.3 | Low | 49.1 | Very low | 234 Ų | 234 | 130.6 Ų | 130.6 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | 88.7 | 129.1 | 166.3 | -71.4 | -88.8 | 0 | 0 | 0 | 119.4 | ||||
| 361 | G | 41.8 | Very low | 48.9 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 162.7 | 55.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 362 | A | 46.4 | Very low | 48.9 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -71 | 138.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 363 | N | 48.5 | Very low | 48.6 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -128.8 | 106.9 | 165.3 | -119.4 | -41.1 | 0 | 0 | 0 | 108.9 | ||||
| 364 | I | 48.3 | Very low | 48.2 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -109.9 | 128.6 | 165.9 | -57.1 | 169.7 | 0 | 0 | 0 | 104.8 | ||||
| 365 | G | 44.4 | Very low | 47.6 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | -150.5 | 149.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 366 | P | 53.7 | Low | 47.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | -120.2 | 172.6 | -118 | 34.7 | -22.6 | 0 | 0 | 0 | 115.4 | |||||
| 367 | L | 44.5 | Very low | 46.9 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -43.9 | 137.2 | 163.4 | -78.5 | 136.9 | 0 | 0 | 0 | 113.7 | ||||
| 368 | G | 46.2 | Very low | 46.9 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -135.1 | 100.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | N | 45.3 | Very low | 46.2 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 16.8 | 122 | 153.4 | -75.7 | -15.4 | 0 | 0 | 0 | 123.1 | ||||
| 370 | A | 43.9 | Very low | 45.9 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 22.5 | 131.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 371 | G | 42.6 | Very low | 45.5 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 178.7 | 93 | 160 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 372 | L | 43.8 | Very low | 45.7 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | 66 | 101.4 | 140.1 | -73 | 150.6 | 0 | 0 | 0 | 122.4 | ||||
| 373 | V | 44.3 | Very low | 45.7 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | 10.9 | 120.1 | 128.2 | -159.8 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 374 | A | 43.1 | Very low | 45.4 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -156.2 | 122.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 375 | S | 41 | Very low | 45.1 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -66 | 151.8 | 170.4 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 376 | V | 45.6 | Very low | 45.1 | Very low | 149 Ų | 149 | 129 Ų | 129 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | 155.8 | 127.6 | 135 | 165 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 377 | G | 42.6 | Very low | 44.4 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 116.1 | 82.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117 | P379 | G377-P379 WeakPolarHBondContact O-CD 3.42Š| ||
| 378 | T | 44 | Very low | 44.4 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121.5 | 158.7 | 34.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 379 | P | 53.8 | Low | 44.7 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 158.1 | 164.8 | 34.5 | -28.6 | 0 | 0 | 0 | 111.2 | G377 | G377-P379 WeakPolarHBondContact O-CD 3.42Š|
| 380 | P | 48.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.5 | -163.9 | 30.1 | -34.9 | 0 | 0 | 0 | 113.4 | L382 | P380-L382 PolarHBondContact O-N 2.84Å; P380-L382 VanDerWaalsContact O-N 3.11Å |
| 381 | I | 43.6 | Very low | 45.9 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -63 | 105.5 | 172.1 | -60.8 | 169.1 | 0 | 0 | 0 | 108.5 | ||||
| 382 | L | 45 | Very low | 46.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -79.8 | 142.6 | 168.1 | -72.4 | 172.5 | 0 | 0 | 0 | 109.9 | P380 V384 | P380-L382 PolarHBondContact O-N 2.84Å; P380-L382 VanDerWaalsContact O-N 3.11Å; L382-V384 PolarHBondContact O-N 3.42Å | ||
| 383 | P | 47 | Very low | 48.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 135.3 | -176.5 | 26.4 | -33 | 0 | 0 | 0 | 110.4 | R385 | P383-R385 PolarHBondContact O-N 2.97Š| ||
| 384 | V | 43.3 | Very low | 49.8 | Very low | 144 Ų | 144 | 130 Ų | 130 | 87% | 0.873 | 74% | 0.736 | S | S | * | * | trans | -57.2 | 99.7 | 174 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | L382 A386 | L382-V384 PolarHBondContact O-N 3.42Å; V384-A386 PolarHBondContact O-N 2.83Å; V384-A386 VanDerWaalsContact O-N 3.09Å | ||
| 385 | R | 41.7 | Very low | 51.3 | Low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -62.8 | 111.9 | 174.8 | -153.4 | 173.8 | -171.2 | 164 | 2.9 | 107.3 | P383 R387 | P383-R385 PolarHBondContact O-N 2.97Å; R385-R387 PolarHBondContact O-N 3.1Å | ||
| 386 | A | 43.1 | Very low | 52.7 | Low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 124.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V384 | V384-A386 PolarHBondContact O-N 2.83Å; V384-A386 VanDerWaalsContact O-N 3.09Å |
| 387 | R | 40.7 | Very low | 54.2 | Low | 236 Ų | 236 | 129.5 Ų | 129.5 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.8 | 175.6 | -73.5 | -175.1 | -175.8 | -178.6 | 3.5 | 108.2 | R385 K389 | R385-R387 PolarHBondContact O-N 3.1Å; R387-K389 PolarHBondContact O-N 3.11Å; R387-K389 VanDerWaalsContact O-N 3.1Å |
| 388 | P | 44 | Very low | 55.8 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 122.2 | 168.8 | -14.9 | 27 | 0 | 0 | 0 | 107.7 | E390 | P388-E390 PolarHBondContact O-N 3.26Å; P388-E390 VanDerWaalsContact O-N 3.16Å |
| 389 | K | 51.5 | Low | 57.6 | Low | 204 Ų | 204 | 130.2 Ų | 130.2 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 121.3 | 174 | -126.5 | 176.4 | 179.9 | -178.5 | 0 | 107.1 | R387 | R387-K389 PolarHBondContact O-N 3.11Å; R387-K389 VanDerWaalsContact O-N 3.1Å |
| 390 | E | 57.9 | Low | 59 | Low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.6 | 177.9 | -167.4 | 165.6 | 170.5 | 0 | 0 | 108.7 | P388 Q392 | P388-E390 PolarHBondContact O-N 3.26Å; P388-E390 VanDerWaalsContact O-N 3.16Å; E390-Q392 PolarHBondContact O-N 3.37Å |
| 391 | P | 57.3 | Low | 60.7 | Low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 65% | 0.654 | S | S | * | * | trans | -57.5 | 114.8 | 179.7 | 22 | -31 | 0 | 0 | 0 | 108.5 | L393 | P391-L393 PolarHBondContact O-N 2.87Å; P391-L393 VanDerWaalsContact O-N 3.09Å | ||
| 392 | Q | 62.9 | Low | 62.7 | Low | 102 Ų | 102 | 120.4 Ų | 120.4 | 48% | 0.477 | 63% | 0.628 | S | S | . | * | trans | -70.9 | 105.4 | 179.8 | -67.4 | -79.6 | -47.8 | 0 | 0 | 107.1 | E390 N434 | E390-Q392 PolarHBondContact O-N 3.37Å; Q392-N434 HydrophobicContact CB-CB 4.4Å | ||
| 393 | L | 73.2 | Confident | 64.7 | Low | 100 Ų | 100 | 119 Ų | 119 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | trans | -64.7 | 147 | 173.8 | -77.7 | 146.5 | 0 | 0 | 0 | 109.7 | P391 | P391-L393 PolarHBondContact O-N 2.87Å; P391-L393 VanDerWaalsContact O-N 3.09Å | ||
| 394 | C | 77 | Confident | 66.6 | Low | 5 Ų | 5 | 114 Ų | 114 | 3% | 0.034 | 59% | 0.594 | C | S | . | * | trans | -60.1 | 150.2 | 167.2 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | N396 G397 E398 C438 | C394-N396 WeakPolarHBondContact CB-OD1 2.89Å; C394-N396 PolarHBondContact O-N 3.47Å; C394-G397 PolarHBondContact O-N 2.93Å; C394-E398 PolarHBondContact N-O 2.98Å; C394-C438 WeakPolarHBondContact CA-SG 3.05Å; C394-C438 HydrophobicContact CB-CB 3.65Å; C394-C438 WeakPolarHBondContact CB-SG 3.11Å; C394-C438 WeakPolarHBondContact SG-CA 3.3Å; C394-C438 WeakPolarHBondContact SG-CB 3.29Å; C394-C438 CovalentContact SG-SG 2.03Å; C394-C438 PolarHBondContact SG-SG 3.21Å | ||
| 395 | W | 74.8 | Confident | 68.4 | Low | 209 Ų | 209 | 112.3 Ų | 112.3 | 79% | 0.792 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -17.1 | -177.6 | -75.3 | 83.9 | 0 | 0 | 0 | 113.7 | Q433 | W395-Q433 VanDerWaalsContact CD1-OE1 3.24Š|
| 396 | N | 70 | Confident | 69.6 | Low | 79 Ų | 79 | 104 Ų | 104 | 42% | 0.422 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -0.6 | 175 | 62.6 | -8.9 | 0 | 0 | 0 | 114.2 | C394 E398 | C394-N396 WeakPolarHBondContact CB-OD1 2.89Å; C394-N396 PolarHBondContact O-N 3.47Å; N396-E398 VanDerWaalsContact C-N 3.29Å; N396-E398 PolarHBondContact ND2-OE2 3.37Å; N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 PolarHBondContact OD1-N 3.31Å |
| 397 | G | 76 | Confident | 70.7 | Confident | 55 Ų | 55 | 108.4 Ų | 108.4 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 79.2 | 5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C394 | C394-G397 PolarHBondContact O-N 2.93Š|
| 398 | E | 78 | Confident | 71.3 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -79 | 151 | 173.3 | -64.2 | -176.6 | 139.6 | 0 | 0 | 111.1 | C394 N396 | C394-E398 PolarHBondContact N-O 2.98Å; N396-E398 VanDerWaalsContact C-N 3.29Å; N396-E398 PolarHBondContact ND2-OE2 3.37Å; N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 PolarHBondContact OD1-N 3.31Å |
| 399 | D | 81 | Confident | 71.4 | Confident | 142 Ų | 142 | 105.1 Ų | 105.1 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 132.6 | 173.8 | -71.2 | -47 | 0 | 0 | 0 | 109.8 | ||
| 400 | P | 82.2 | Confident | 71.2 | Confident | 47 Ų | 47 | 101.5 Ų | 101.5 | 31% | 0.305 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 140 | -178.6 | 27.4 | -34.5 | 0 | 0 | 0 | 111.7 | G402 | P400-G402 VanDerWaalsContact C-N 3.29Å; P400-G402 PolarHBondContact O-N 2.92Å |
| 401 | M | 84.7 | Confident | 70.4 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -82.7 | -8 | -177.1 | -140 | -169.5 | 73 | 0 | 0 | 113.5 | P427 Y430 C437 | M401-P427 HydrophobicContact CE-CG 3.46Å; M401-P427 VanDerWaalsContact CE-CG 3.46Å; M401-Y430 HydrophobicContact CB-CD1 4.22Å; M401-Y430 HydrophobicContact CB-CE1 3.8Å; M401-Y430 HydrophobicContact CE-CE2 4.29Å; M401-Y430 HydrophobicContact CG-CE1 4.3Å; M401-Y430 HydrophobicContact SD-CE1 3.92Å; M401-Y430 HydrophobicContact SD-CE2 3.81Å; M401-Y430 PolarHBondContact SD-OH 2.94Å; M401-C437 PolarHBondContact N-O 2.86Å; M401-C437 VanDerWaalsContact N-O 3.1Å |
| 402 | G | 85.4 | Confident | 69.8 | Low | 32 Ų | 32 | 103 Ų | 103 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | S | Bend | trans | 171.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P400 S436 C437 | P400-G402 VanDerWaalsContact C-N 3.29Å; P400-G402 PolarHBondContact O-N 2.92Å; G402-S436 CarbonylContact O-C 3.5Å; G402-S436 VanDerWaalsContact O-CA 3.3Å; G402-S436 WeakPolarHBondContact O-CA 3.28Å; G402-C437 PolarHBondContact O-N 3.22Å |
| 403 | T | 86.8 | Confident | 68.9 | Low | 114 Ų | 114 | 103.3 Ų | 103.3 | 70% | 0.699 | 59% | 0.591 | S | S | * | * | B | Isolated β-bridge | trans | -104.1 | 142.9 | 174.2 | 50.7 | 0 | 0 | 0 | 0 | 111 | S435 | T403-S435 CarbonylContact C-O 3.49Å; T403-S435 WeakPolarHBondContact CA-O 3.42Å; T403-S435 WeakPolarHBondContact CB-O 3.42Å |
| 404 | C | 87 | Confident | 67.5 | Low | 10 Ų | 10 | 102.6 Ų | 102.6 | 7% | 0.068 | 61% | 0.607 | C | S | . | * | trans | -127.8 | 151.7 | 175.9 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | C432 S435 S436 | C404-C432 HydrophobicContact CB-CB 3.77Å; C404-C432 WeakPolarHBondContact CB-SG 3.07Å; C404-C432 WeakPolarHBondContact SG-CA 2.97Å; C404-C432 WeakPolarHBondContact SG-CB 3.38Å; C404-C432 CovalentContact SG-SG 2.01Å; C404-C432 PolarHBondContact SG-SG 2.79Å; C404-S435 PolarHBondContact N-O 3Å; C404-S435 CarbonylContact O-C 3.36Å; C404-S435 WeakPolarHBondContact O-CA 3.15Å; C404-S435 VanDerWaalsContact O-CB 3.24Å; C404-S435 WeakPolarHBondContact O-CB 3.27Å; C404-S436 PolarHBondContact SG-N 3.24Å; C404-S436 PolarHBondContact SG-O 3.3Å | ||
| 405 | D | 82.5 | Confident | 65.9 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 58% | 0.578 | 64% | 0.638 | S | S | * | * | trans | -95.8 | 108.9 | 176.9 | -103.6 | -43.2 | 0 | 0 | 0 | 109.8 | K407 H423 | D405-K407 PolarHBondContact O-N 3.06Å; D405-H423 IonicContact OD2-CE1 3.72Å; D405-H423 IonicContact OD2-NE2 2.67Å | ||
| 406 | G | 66.4 | Low | 64.6 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 62% | 0.619 | 64% | 0.643 | S | S | * | * | trans | -71.2 | 25.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | M408 | G406-M408 PolarHBondContact O-N 2.94Š| ||
| 407 | K | 64.9 | Low | 63.2 | Low | 181 Ų | 181 | 109.5 Ų | 109.5 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | trans | -78.2 | 101.6 | 173.8 | -70.2 | -170.3 | -179.3 | -179.9 | 0 | 108.2 | D405 S409 | D405-K407 PolarHBondContact O-N 3.06Å; K407-S409 PolarHBondContact O-N 2.92Å | ||
| 408 | M | 53.9 | Low | 61.6 | Low | 189 Ų | 189 | 113.9 Ų | 113.9 | 93% | 0.931 | 68% | 0.675 | S | S | * | * | trans | -49.2 | 103.4 | 161.4 | -92.4 | 172.6 | 150.1 | 0 | 0 | 108.2 | G406 T410 | G406-M408 PolarHBondContact O-N 2.94Å; M408-T410 PolarHBondContact O-N 3.23Å | ||
| 409 | S | 45.1 | Very low | 59.9 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -74.2 | 93.7 | 176 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | K407 Q411 | K407-S409 PolarHBondContact O-N 2.92Å; S409-Q411 PolarHBondContact O-N 3.19Å | ||
| 410 | T | 49.1 | Very low | 57.8 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -69.6 | 104.9 | 152.1 | 40.7 | 0 | 0 | 0 | 0 | 106.9 | M408 P412 | M408-T410 PolarHBondContact O-N 3.23Å; T410-P412 WeakPolarHBondContact O-CD 3.46Å | ||
| 411 | Q | 40.4 | Very low | 55.7 | Low | 181 Ų | 181 | 125.7 Ų | 125.7 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | -57.2 | 136.8 | 175.8 | -72.1 | -177.2 | -50.8 | 0 | 0 | 111.2 | S409 | S409-Q411 PolarHBondContact O-N 3.19Š| ||
| 412 | P | 44.5 | Very low | 53.6 | Low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -108.2 | 142.4 | 143.8 | 20.9 | -3.1 | 0 | 0 | 0 | 110.1 | T410 | T410-P412 WeakPolarHBondContact O-CD 3.46Š| ||
| 413 | A | 44.7 | Very low | 52 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 137.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 414 | G | 43 | Very low | 50.8 | Low | 84 Ų | 84 | 130.8 Ų | 130.8 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | trans | 109.3 | 123.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 415 | G | 44.2 | Very low | 50.4 | Low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 123.2 | 86 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 416 | T | 47.1 | Very low | 50.4 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | 68.7 | 122.3 | 99.3 | 54.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 417 | Y | 40.7 | Very low | 51.2 | Low | 225 Ų | 225 | 133.7 Ų | 133.7 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -59.6 | 132.2 | -171.5 | -75.7 | -107.3 | 0 | 0 | 0 | 114.4 | ||||
| 418 | D | 41.1 | Very low | 51.7 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | -171.9 | 125.1 | 121.7 | -100.9 | -40.9 | 0 | 0 | 0 | 113.2 | |||||
| 419 | Q | 43.2 | Very low | 52.7 | Low | 164 Ų | 164 | 127.9 Ų | 127.9 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | 59.1 | 112 | 154 | -56.4 | -168.6 | 14.2 | 0 | 0 | 122.5 | ||||
| 420 | L | 36.9 | Very low | 54.6 | Low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | 92.8 | 116.3 | 132.7 | -109.1 | 71.8 | 0 | 0 | 0 | 120.7 | ||||
| 421 | K | 37.4 | Very low | 56.3 | Low | 197 Ų | 197 | 123.5 Ų | 123.5 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | trans | 79.3 | 82 | 173.3 | -78.2 | -178.4 | 175.2 | 178.5 | 0 | 116.8 | H423 | K421-H423 PolarHBondContact O-N 3.09Å; K421-H423 VanDerWaalsContact O-N 3.11Å | ||
| 422 | T | 40.9 | Very low | 58.5 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 90% | 0.896 | 68% | 0.675 | S | S | * | * | trans | -49.3 | 111.9 | 149.6 | 33.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 423 | H | 52.2 | Low | 60.5 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 61% | 0.611 | 65% | 0.652 | S | S | * | * | trans | -62.8 | 133.2 | 175 | -124 | -69.9 | 0 | 0 | 0 | 108.9 | D405 K421 D425 | D405-H423 IonicContact OD2-CE1 3.72Å; D405-H423 IonicContact OD2-NE2 2.67Å; K421-H423 PolarHBondContact O-N 3.09Å; K421-H423 VanDerWaalsContact O-N 3.11Å; H423-D425 PolarHBondContact O-N 3.1Å; H423-D425 VanDerWaalsContact O-N 3.15Å | ||
| 424 | P | 61.1 | Low | 62.5 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | trans | -75.9 | 113.4 | -171.7 | 29.8 | -31.1 | 0 | 0 | 0 | 109.4 | C426 | P424-C426 PolarHBondContact O-N 2.59Š| ||
| 425 | D | 79.7 | Confident | 64.6 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 135.5 | 149 | -74.5 | -45.7 | 0 | 0 | 0 | 107.5 | H423 | H423-D425 PolarHBondContact O-N 3.1Å; H423-D425 VanDerWaalsContact O-N 3.15Å |
| 426 | C | 82.8 | Confident | 66.7 | Low | 24 Ų | 24 | 109.8 Ų | 109.8 | 16% | 0.162 | 58% | 0.581 | C | S | . | * | P | Polyproline II helix | trans | -52.5 | 140.2 | -179 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | P424 C437 | P424-C426 PolarHBondContact O-N 2.59Å; C426-C437 WeakPolarHBondContact CA-SG 3.49Å; C426-C437 HydrophobicContact CB-CB 3.78Å; C426-C437 WeakPolarHBondContact CB-SG 3.5Å; C426-C437 WeakPolarHBondContact SG-CA 3.45Å; C426-C437 WeakPolarHBondContact SG-CB 3.22Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 3.07Å |
| 427 | P | 82.3 | Confident | 68.7 | Low | 61 Ų | 61 | 103.1 Ų | 103.1 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 154.1 | -178.7 | 19.3 | -27.9 | 0 | 0 | 0 | 111.3 | M401 G429 Y430 | M401-P427 HydrophobicContact CE-CG 3.46Å; M401-P427 VanDerWaalsContact CE-CG 3.46Å; P427-G429 PolarHBondContact O-N 3.21Å; P427-Y430 HydrophobicContact CG-CD2 3.87Å; P427-Y430 HydrophobicContact CG-CE2 4.41Å; P427-Y430 HydrophobicContact CG-CG 4.41Å; P427-Y430 WeakPolarHBondContact O-CB 3.03Å; P427-Y430 PolarHBondContact O-N 2.72Å |
| 428 | E | 76.4 | Confident | 71 | Confident | 202 Ų | 202 | 92.5 Ų | 92.5 | 94% | 0.944 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 128 | 179.9 | -77.9 | -173.2 | 154.6 | 0 | 0 | 111.3 | ||
| 429 | G | 74.4 | Confident | 73 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -0.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P427 A440 | P427-G429 PolarHBondContact O-N 3.21Å; G429-A440 PolarHBondContact O-N 3.22Å |
| 430 | Y | 83.9 | Confident | 74.4 | Confident | 77 Ų | 77 | 85 Ų | 85 | 30% | 0.302 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.9 | 174.8 | -67.3 | -99.5 | 0 | 0 | 0 | 111.4 | M401 P427 C438 R439 | M401-Y430 HydrophobicContact CB-CD1 4.22Å; M401-Y430 HydrophobicContact CB-CE1 3.8Å; M401-Y430 HydrophobicContact CE-CE2 4.29Å; M401-Y430 HydrophobicContact CG-CE1 4.3Å; M401-Y430 HydrophobicContact SD-CE1 3.92Å; M401-Y430 HydrophobicContact SD-CE2 3.81Å; M401-Y430 PolarHBondContact SD-OH 2.94Å; P427-Y430 HydrophobicContact CG-CD2 3.87Å; P427-Y430 HydrophobicContact CG-CE2 4.41Å; P427-Y430 HydrophobicContact CG-CG 4.41Å; P427-Y430 WeakPolarHBondContact O-CB 3.03Å; P427-Y430 PolarHBondContact O-N 2.72Å; Y430-C438 CarbonylContact C-O 3.34Å; Y430-C438 VanDerWaalsContact CA-O 3.25Å; Y430-C438 WeakPolarHBondContact CA-O 3.37Å; Y430-C438 VanDerWaalsContact CD1-C 3.49Å; Y430-R439 HydrophobicContact CD1-CB 4.37Å; Y430-R439 HydrophobicContact CE1-CB 4.15Å |
| 431 | V | 85.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 38% | 0.376 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.6 | 174.6 | 84.4 | 0 | 0 | 0 | 0 | 109.5 | Q433 C438 A440 | V431-Q433 HydrophobicContact CG1-CG 3.99Å; V431-Q433 PolarHBondContact O-N 2.92Å; V431-C438 PolarHBondContact N-O 2.99Å; V431-C438 PolarHBondContact O-N 3.15Å; V431-A440 HydrophobicContact CB-CB 4.26Å |
| 432 | C | 86.2 | Confident | 78.5 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 111.7 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | C404 | C404-C432 HydrophobicContact CB-CB 3.77Å; C404-C432 WeakPolarHBondContact CB-SG 3.07Å; C404-C432 WeakPolarHBondContact SG-CA 2.97Å; C404-C432 WeakPolarHBondContact SG-CB 3.38Å; C404-C432 CovalentContact SG-SG 2.01Å; C404-C432 PolarHBondContact SG-SG 2.79Å |
| 433 | Q | 87.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.4 | 174.1 | -82 | 175.5 | 12.3 | 0 | 0 | 110 | W395 V431 S435 S436 C438 | W395-Q433 VanDerWaalsContact CD1-OE1 3.24Å; V431-Q433 HydrophobicContact CG1-CG 3.99Å; V431-Q433 PolarHBondContact O-N 2.92Å; Q433-S435 VanDerWaalsContact C-N 3.28Å; Q433-S435 PolarHBondContact O-N 2.93Å; Q433-S436 PolarHBondContact N-O 3.43Å; Q433-S436 WeakPolarHBondContact O-CA 2.84Å; Q433-S436 WeakPolarHBondContact O-CB 3.42Å; Q433-S436 PolarHBondContact O-N 3.38Å; Q433-C438 HydrophobicContact CB-CB 4.34Å |
| 434 | N | 86.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 46 | 179.8 | -65.2 | -17.3 | 0 | 0 | 0 | 113.5 | Q392 S436 | Q392-N434 HydrophobicContact CB-CB 4.4Å; N434-S436 PolarHBondContact O-N 3.14Å; N434-S436 PolarHBondContact O-OG 2.67Å |
| 435 | S | 87.2 | Confident | 83.7 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 22.1 | -176.3 | -55.2 | 0 | 0 | 0 | 0 | 115.1 | T403 C404 Q433 | T403-S435 CarbonylContact C-O 3.49Å; T403-S435 WeakPolarHBondContact CA-O 3.42Å; T403-S435 WeakPolarHBondContact CB-O 3.42Å; C404-S435 PolarHBondContact N-O 3Å; C404-S435 CarbonylContact O-C 3.36Å; C404-S435 WeakPolarHBondContact O-CA 3.15Å; C404-S435 VanDerWaalsContact O-CB 3.24Å; C404-S435 WeakPolarHBondContact O-CB 3.27Å; Q433-S435 VanDerWaalsContact C-N 3.28Å; Q433-S435 PolarHBondContact O-N 2.93Å |
| 436 | S | 87.1 | Confident | 83.9 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.6 | -179.4 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | G402 C404 Q433 N434 C438 | G402-S436 CarbonylContact O-C 3.5Å; G402-S436 VanDerWaalsContact O-CA 3.3Å; G402-S436 WeakPolarHBondContact O-CA 3.28Å; C404-S436 PolarHBondContact SG-N 3.24Å; C404-S436 PolarHBondContact SG-O 3.3Å; Q433-S436 PolarHBondContact N-O 3.43Å; Q433-S436 WeakPolarHBondContact O-CA 2.84Å; Q433-S436 WeakPolarHBondContact O-CB 3.42Å; Q433-S436 PolarHBondContact O-N 3.38Å; N434-S436 PolarHBondContact O-N 3.14Å; N434-S436 PolarHBondContact O-OG 2.67Å; S436-C438 PolarHBondContact O-N 3.38Å |
| 437 | C | 90.4 | Very high | 84 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 105.4 | 173.3 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | M401 G402 C426 | M401-C437 PolarHBondContact N-O 2.86Å; M401-C437 VanDerWaalsContact N-O 3.1Å; G402-C437 PolarHBondContact O-N 3.22Å; C426-C437 WeakPolarHBondContact CA-SG 3.49Å; C426-C437 HydrophobicContact CB-CB 3.78Å; C426-C437 WeakPolarHBondContact CB-SG 3.5Å; C426-C437 WeakPolarHBondContact SG-CA 3.45Å; C426-C437 WeakPolarHBondContact SG-CB 3.22Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 3.07Å |
| 438 | C | 88.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.4 | -178.6 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | C394 Y430 V431 Q433 S436 A440 | C394-C438 WeakPolarHBondContact CA-SG 3.05Å; C394-C438 HydrophobicContact CB-CB 3.65Å; C394-C438 WeakPolarHBondContact CB-SG 3.11Å; C394-C438 WeakPolarHBondContact SG-CA 3.3Å; C394-C438 WeakPolarHBondContact SG-CB 3.29Å; C394-C438 CovalentContact SG-SG 2.03Å; C394-C438 PolarHBondContact SG-SG 3.21Å; Y430-C438 CarbonylContact C-O 3.34Å; Y430-C438 VanDerWaalsContact CA-O 3.25Å; Y430-C438 WeakPolarHBondContact CA-O 3.37Å; Y430-C438 VanDerWaalsContact CD1-C 3.49Å; V431-C438 PolarHBondContact N-O 2.99Å; V431-C438 PolarHBondContact O-N 3.15Å; Q433-C438 HydrophobicContact CB-CB 4.34Å; S436-C438 PolarHBondContact O-N 3.38Å; C438-A440 PolarHBondContact O-N 2.96Å; C438-A440 VanDerWaalsContact O-N 3.17Å |
| 439 | R | 82 | Confident | 84.6 | Confident | 134 Ų | 134 | 58.7 Ų | 58.7 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 125.9 | 177.9 | -166.7 | 173.3 | 178.9 | 175.4 | 0.5 | 109 | Y430 K441 | Y430-R439 HydrophobicContact CD1-CB 4.37Å; Y430-R439 HydrophobicContact CE1-CB 4.15Å; R439-K441 PolarHBondContact O-N 2.64Å; R439-K441 VanDerWaalsContact O-N 3.15Å |
| 440 | A | 73.8 | Confident | 85.2 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | trans | -56.4 | 124.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G429 V431 C438 L442 | G429-A440 PolarHBondContact O-N 3.22Å; V431-A440 HydrophobicContact CB-CB 4.26Å; C438-A440 PolarHBondContact O-N 2.96Å; C438-A440 VanDerWaalsContact O-N 3.17Å; A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 2.85Å | ||
| 441 | K | 77.3 | Confident | 85.5 | Confident | 189 Ų | 189 | 59.4 Ų | 59.4 | 82% | 0.822 | 35% | 0.345 | S | S | * | . | trans | -68 | 95.7 | -178.2 | -174.3 | 178.8 | -179.9 | -179.1 | 0 | 108.1 | R439 | R439-K441 PolarHBondContact O-N 2.64Å; R439-K441 VanDerWaalsContact O-N 3.15Å | ||
| 442 | L | 81.6 | Confident | 85.7 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 138.5 | 171.6 | -77.5 | 155.4 | 0 | 0 | 0 | 108.9 | A440 I450 A451 E454 | A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 2.85Å; L442-I450 HydrophobicContact CB-CG2 3.89Å; L442-A451 HydrophobicContact CB-CB 4.19Å; L442-A451 VanDerWaalsContact CD1-O 3.29Å; L442-A451 WeakPolarHBondContact CD1-O 3.37Å; L442-A451 HydrophobicContact CD2-CB 4.35Å; L442-E454 HydrophobicContact CD2-CG 3.96Å |
| 443 | P | 84.9 | Confident | 85.9 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 144.1 | -179.7 | 25.8 | -34.5 | 0 | 0 | 0 | 110 | C445 A451 K467 | P443-C445 PolarHBondContact O-N 3.31Å; P443-A451 HydrophobicContact CG-CB 4.35Å; P443-A451 WeakPolarHBondContact O-CB 3.25Å; P443-A451 PolarHBondContact O-N 2.96Å; P443-K467 HydrophobicContact CB-CB 4.38Å; P443-K467 WeakPolarHBondContact CG-O 3.19Å |
| 444 | A | 87 | Confident | 86.1 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 60% | 0.595 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -69.5 | 129.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 445 | C | 91.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 152.3 | 170.2 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | P443 E447 G448 G449 C471 | P443-C445 PolarHBondContact O-N 3.31Å; C445-E447 PolarHBondContact O-N 2.84Å; C445-E447 VanDerWaalsContact O-N 3.15Å; C445-G448 PolarHBondContact O-N 3.15Å; C445-G449 WeakPolarHBondContact CB-O 3.24Å; C445-G449 PolarHBondContact N-O 2.73Å; C445-C471 WeakPolarHBondContact CA-SG 3.39Å; C445-C471 HydrophobicContact CB-CB 3.7Å; C445-C471 WeakPolarHBondContact CB-SG 3.42Å; C445-C471 WeakPolarHBondContact SG-CA 3.3Å; C445-C471 WeakPolarHBondContact SG-CB 2.87Å; C445-C471 CovalentContact SG-SG 2.03Å; C445-C471 PolarHBondContact SG-SG 2.97Å |
| 446 | P | 85.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -22.7 | -178 | 24.7 | -33 | 0 | 0 | 0 | 113.1 | G448 Y466 W485 | P446-G448 PolarHBondContact O-N 3.49Å; P446-Y466 HydrophobicContact CG-CE1 4.29Å; P446-W485 HydrophobicContact CB-CZ3 4.35Å; P446-W485 HydrophobicContact CG-CE3 3.86Å; P446-W485 HydrophobicContact CG-CH2 3.29Å; P446-W485 HydrophobicContact CG-CZ2 3.99Å; P446-W485 HydrophobicContact CG-CZ3 3.21Å |
| 447 | E | 85.2 | Confident | 86.7 | Confident | 121 Ų | 121 | 74.4 Ų | 74.4 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 3.9 | 172 | -64.5 | -170 | 156 | 0 | 0 | 114.1 | C445 G449 P474 | C445-E447 PolarHBondContact O-N 2.84Å; C445-E447 VanDerWaalsContact O-N 3.15Å; E447-G449 VanDerWaalsContact C-N 3.3Å; E447-G449 PolarHBondContact O-N 3.11Å; E447-P474 WeakPolarHBondContact OE1-CB 2.97Å |
| 448 | G | 85.5 | Confident | 86.7 | Confident | 67 Ų | 67 | 76 Ų | 76 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 83.1 | 0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | C445 P446 | C445-G448 PolarHBondContact O-N 3.15Å; P446-G448 PolarHBondContact O-N 3.49Å |
| 449 | G | 85.8 | Confident | 87 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 159.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C445 E447 | C445-G449 WeakPolarHBondContact CB-O 3.24Å; C445-G449 PolarHBondContact N-O 2.73Å; E447-G449 VanDerWaalsContact C-N 3.3Å; E447-G449 PolarHBondContact O-N 3.11Å |
| 450 | I | 85.9 | Confident | 87.5 | Confident | 136 Ų | 136 | 73.9 Ų | 73.9 | 70% | 0.697 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -90 | 135.8 | 168 | -56.9 | 172.7 | 0 | 0 | 0 | 107.1 | L442 | L442-I450 HydrophobicContact CB-CG2 3.89Å |
| 451 | A | 90.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 3% | 0.033 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 148 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L442 P443 C470 | L442-A451 HydrophobicContact CB-CB 4.19Å; L442-A451 VanDerWaalsContact CD1-O 3.29Å; L442-A451 WeakPolarHBondContact CD1-O 3.37Å; L442-A451 HydrophobicContact CD2-CB 4.35Å; P443-A451 HydrophobicContact CG-CB 4.35Å; P443-A451 WeakPolarHBondContact O-CB 3.25Å; P443-A451 PolarHBondContact O-N 2.96Å; A451-C470 WeakPolarHBondContact CA-O 3.49Å |
| 452 | L | 89.7 | Confident | 88.8 | Confident | 93 Ų | 93 | 71 Ų | 71 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -72.8 | -44 | -174 | -171.5 | 75.4 | 0 | 0 | 0 | 112.4 | P460 Y463 C470 | L452-P460 HydrophobicContact CD2-CG 3.75Å; L452-Y463 HydrophobicContact CB-CD1 4.42Å; L452-Y463 HydrophobicContact CB-CE1 4.34Å; L452-Y463 HydrophobicContact CD2-CE1 4.48Å; L452-C470 HydrophobicContact CB-CB 4.43Å; L452-C470 PolarHBondContact N-O 2.95Å |
| 453 | Q | 91.2 | Very high | 89.4 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -156.9 | 166 | -177.7 | 65.3 | -173.1 | 40.2 | 0 | 0 | 109.2 | G458 G469 C470 | Q453-G458 PolarHBondContact NE2-O 2.91Å; Q453-G469 CarbonylContact O-C 3.59Å; Q453-G469 WeakPolarHBondContact O-CA 2.97Å; Q453-C470 HydrophobicContact CG-CB 4.02Å; Q453-C470 PolarHBondContact O-N 3.17Å |
| 454 | E | 91.7 | Very high | 89.7 | Confident | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 143.8 | 170.3 | -69 | -179 | -178.6 | 0 | 0 | 110.7 | L442 R456 G468 | L442-E454 HydrophobicContact CD2-CG 3.96Å; E454-R456 PolarHBondContact O-N 3.15Å; E454-G468 CarbonylContact C-O 3.6Å; E454-G468 VanDerWaalsContact CA-O 3.3Å; E454-G468 WeakPolarHBondContact CA-O 3.34Å |
| 455 | C | 92.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 75.2 Ų | 75.2 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -72.5 | 0.6 | -174.9 | -50.5 | 0 | 0 | 0 | 0 | 115.1 | A457 G458 C465 G468 G469 | C455-A457 PolarHBondContact O-N 3.43Å; C455-G458 PolarHBondContact O-N 3.32Å; C455-C465 HydrophobicContact CB-CB 3.6Å; C455-C465 WeakPolarHBondContact CB-SG 3.45Å; C455-C465 WeakPolarHBondContact SG-CA 3.29Å; C455-C465 WeakPolarHBondContact SG-CB 3.42Å; C455-C465 CovalentContact SG-SG 2.01Å; C455-C465 PolarHBondContact SG-SG 3.46Å; C455-G468 PolarHBondContact N-O 2.81Å; C455-G468 PolarHBondContact SG-O 3.17Å; C455-G469 PolarHBondContact SG-N 2.64Å; C455-G469 VanDerWaalsContact SG-N 3.37Å; C455-G469 PolarHBondContact SG-O 2.67Å; C455-G469 VanDerWaalsContact SG-O 3.4Å |
| 456 | R | 91.3 | Very high | 90.1 | Very high | 245 Ų | 245 | 76.8 Ų | 76.8 | 93% | 0.925 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -60.2 | -32.7 | -169.4 | -161.8 | 174.9 | -176.1 | -174.6 | -0.2 | 112.7 | E454 | E454-R456 PolarHBondContact O-N 3.15Š|
| 457 | A | 88.5 | Confident | 90.4 | Very high | 99 Ų | 99 | 81.5 Ų | 81.5 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -97.1 | 10.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C455 | C455-A457 PolarHBondContact O-N 3.43Š|
| 458 | G | 92.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 77.7 Ų | 77.7 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | trans | 82 | 167.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q453 C455 | Q453-G458 PolarHBondContact NE2-O 2.91Å; C455-G458 PolarHBondContact O-N 3.32Å | ||
| 459 | C | 93.5 | Very high | 91 | Very high | 40 Ų | 40 | 74.5 Ų | 74.5 | 27% | 0.27 | 42% | 0.42 | S | S | . | . | trans | -108.8 | 144.5 | -179.5 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | Y463 C470 | C459-Y463 WeakPolarHBondContact CB-O 3.38Å; C459-C470 WeakPolarHBondContact CA-SG 3.27Å; C459-C470 HydrophobicContact CB-CB 3.75Å; C459-C470 WeakPolarHBondContact CB-SG 3.01Å; C459-C470 WeakPolarHBondContact SG-CA 3.47Å; C459-C470 WeakPolarHBondContact SG-CB 3.5Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 2.74Å | ||
| 460 | P | 92 | Very high | 91.5 | Very high | 52 Ų | 52 | 73 Ų | 73 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | trans | -64.2 | 158 | 175.9 | 25.4 | -31.9 | 0 | 0 | 0 | 111.7 | L452 G462 Y463 | L452-P460 HydrophobicContact CD2-CG 3.75Å; P460-G462 PolarHBondContact O-N 2.93Å; P460-Y463 HydrophobicContact CG-CD2 3.83Å; P460-Y463 HydrophobicContact CG-CG 4.24Å; P460-Y463 WeakPolarHBondContact O-CB 3.35Å; P460-Y463 PolarHBondContact O-N 3.03Å | ||
| 461 | S | 89.9 | Confident | 91.9 | Very high | 120 Ų | 120 | 66.5 Ų | 66.5 | 84% | 0.839 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 123.5 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 462 | G | 89.4 | Confident | 92.1 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -10.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P460 T473 | P460-G462 PolarHBondContact O-N 2.93Å; G462-T473 PolarHBondContact O-N 3.26Å; G462-T473 PolarHBondContact O-OG1 3.17Å; G462-T473 VanDerWaalsContact O-OG1 3.13Å |
| 463 | Y | 93.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 65 Ų | 65 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147 | 175.9 | -64.6 | -101.8 | 0 | 0 | 0 | 110.5 | L452 C459 P460 C471 P472 | L452-Y463 HydrophobicContact CB-CD1 4.42Å; L452-Y463 HydrophobicContact CB-CE1 4.34Å; L452-Y463 HydrophobicContact CD2-CE1 4.48Å; C459-Y463 WeakPolarHBondContact CB-O 3.38Å; P460-Y463 HydrophobicContact CG-CD2 3.83Å; P460-Y463 HydrophobicContact CG-CG 4.24Å; P460-Y463 WeakPolarHBondContact O-CB 3.35Å; P460-Y463 PolarHBondContact O-N 3.03Å; Y463-C471 CarbonylContact C-O 3.43Å; Y463-C471 VanDerWaalsContact CA-O 3.3Å; Y463-C471 WeakPolarHBondContact CA-O 3.41Å; Y463-P472 HydrophobicContact CD1-CB 4.17Å; Y463-P472 HydrophobicContact CE1-CB 3.88Å; Y463-P472 HydrophobicContact CE1-CG 4.34Å |
| 464 | K | 92.6 | Very high | 92 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.8 | 174.9 | -65.9 | -67.7 | 171.4 | 157.7 | 0 | 110.5 | Y466 C471 T473 T483 | K464-Y466 PolarHBondContact O-N 3.34Å; K464-C471 PolarHBondContact N-O 3.22Å; K464-C471 PolarHBondContact O-N 2.96Å; K464-T473 HydrophobicContact CB-CG2 3.6Å; K464-T473 HydrophobicContact CG-CG2 3.34Å; K464-T483 WeakPolarHBondContact CD-O 3.45Å; K464-T483 WeakPolarHBondContact CE-O 3.49Å; K464-T483 PolarHBondContact NZ-O 3.4Å |
| 465 | C | 93.9 | Very high | 92 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.9 | -179.7 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | C455 G469 | C455-C465 HydrophobicContact CB-CB 3.6Å; C455-C465 WeakPolarHBondContact CB-SG 3.45Å; C455-C465 WeakPolarHBondContact SG-CA 3.29Å; C455-C465 WeakPolarHBondContact SG-CB 3.42Å; C455-C465 CovalentContact SG-SG 2.01Å; C455-C465 PolarHBondContact SG-SG 3.46Å; C465-G469 CarbonylContact C-O 3.58Å; C465-G469 WeakPolarHBondContact CA-O 3.41Å |
| 466 | Y | 92.2 | Very high | 92 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 120.6 | 172.4 | -178.8 | -100.3 | 0 | 0 | 0 | 108.9 | P446 K464 G468 G469 W485 | P446-Y466 HydrophobicContact CG-CE1 4.29Å; K464-Y466 PolarHBondContact O-N 3.34Å; Y466-G468 PolarHBondContact O-N 2.93Å; Y466-G469 PolarHBondContact N-O 3.46Å; Y466-G469 PolarHBondContact O-N 3.45Å; Y466-W485 HydrophobicContact CD2-CB 3.98Å; Y466-W485 HydrophobicContact CD2-CD2 4.11Å; Y466-W485 HydrophobicContact CD2-CE3 4.44Å; Y466-W485 AromaticContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CG-CG 4.42Å |
| 467 | K | 91.4 | Very high | 91.9 | Very high | 158 Ų | 158 | 53 Ų | 53 | 69% | 0.687 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 35.3 | -177.9 | -62.4 | -172.2 | 176.6 | -177.9 | 0 | 114.4 | P443 | P443-K467 HydrophobicContact CB-CB 4.38Å; P443-K467 WeakPolarHBondContact CG-O 3.19Å |
| 468 | G | 91.3 | Very high | 91.7 | Very high | 40 Ų | 40 | 50 Ų | 50 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E454 C455 Y466 | E454-G468 CarbonylContact C-O 3.6Å; E454-G468 VanDerWaalsContact CA-O 3.3Å; E454-G468 WeakPolarHBondContact CA-O 3.34Å; C455-G468 PolarHBondContact N-O 2.81Å; C455-G468 PolarHBondContact SG-O 3.17Å; Y466-G468 PolarHBondContact O-N 2.93Å |
| 469 | G | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q453 C455 C465 Y466 C471 | Q453-G469 CarbonylContact O-C 3.59Å; Q453-G469 WeakPolarHBondContact O-CA 2.97Å; C455-G469 PolarHBondContact SG-N 2.64Å; C455-G469 VanDerWaalsContact SG-N 3.37Å; C455-G469 PolarHBondContact SG-O 2.67Å; C455-G469 VanDerWaalsContact SG-O 3.4Å; C465-G469 CarbonylContact C-O 3.58Å; C465-G469 WeakPolarHBondContact CA-O 3.41Å; Y466-G469 PolarHBondContact N-O 3.46Å; Y466-G469 PolarHBondContact O-N 3.45Å; G469-C471 PolarHBondContact O-N 2.03Å |
| 470 | C | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 105.9 | 173.8 | -66 | 0 | 0 | 0 | 0 | 111.1 | A451 L452 Q453 C459 | A451-C470 WeakPolarHBondContact CA-O 3.49Å; L452-C470 HydrophobicContact CB-CB 4.43Å; L452-C470 PolarHBondContact N-O 2.95Å; Q453-C470 HydrophobicContact CG-CB 4.02Å; Q453-C470 PolarHBondContact O-N 3.17Å; C459-C470 WeakPolarHBondContact CA-SG 3.27Å; C459-C470 HydrophobicContact CB-CB 3.75Å; C459-C470 WeakPolarHBondContact CB-SG 3.01Å; C459-C470 WeakPolarHBondContact SG-CA 3.47Å; C459-C470 WeakPolarHBondContact SG-CB 3.5Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 2.74Å |
| 471 | C | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.2 | -179.2 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | C445 Y463 K464 G469 T473 W485 | C445-C471 WeakPolarHBondContact CA-SG 3.39Å; C445-C471 HydrophobicContact CB-CB 3.7Å; C445-C471 WeakPolarHBondContact CB-SG 3.42Å; C445-C471 WeakPolarHBondContact SG-CA 3.3Å; C445-C471 WeakPolarHBondContact SG-CB 2.87Å; C445-C471 CovalentContact SG-SG 2.03Å; C445-C471 PolarHBondContact SG-SG 2.97Å; Y463-C471 CarbonylContact C-O 3.43Å; Y463-C471 VanDerWaalsContact CA-O 3.3Å; Y463-C471 WeakPolarHBondContact CA-O 3.41Å; K464-C471 PolarHBondContact N-O 3.22Å; K464-C471 PolarHBondContact O-N 2.96Å; G469-C471 PolarHBondContact O-N 2.03Å; C471-T473 PolarHBondContact O-N 3.12Å; C471-W485 HydrophobicContact CB-CZ2 4.15Å |
| 472 | P | 93.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 133.6 | 175.5 | 27.9 | -33 | 0 | 0 | 0 | 109 | Y463 W485 | Y463-P472 HydrophobicContact CD1-CB 4.17Å; Y463-P472 HydrophobicContact CE1-CB 3.88Å; Y463-P472 HydrophobicContact CE1-CG 4.34Å; P472-W485 VanDerWaalsContact O-CZ2 3.28Å; P472-W485 WeakPolarHBondContact O-CZ2 3.01Å |
| 473 | T | 90.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 132.9 | 179.7 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | G462 K464 C471 A482 | G462-T473 PolarHBondContact O-N 3.26Å; G462-T473 PolarHBondContact O-OG1 3.17Å; G462-T473 VanDerWaalsContact O-OG1 3.13Å; K464-T473 HydrophobicContact CB-CG2 3.6Å; K464-T473 HydrophobicContact CG-CG2 3.34Å; C471-T473 PolarHBondContact O-N 3.12Å; T473-A482 HydrophobicContact CG2-CB 4.38Å |
| 474 | P | 89.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 154.5 | 169.9 | 20.5 | -30.2 | 0 | 0 | 0 | 110.8 | E447 W485 V502 | E447-P474 WeakPolarHBondContact OE1-CB 2.97Å; P474-W485 HydrophobicContact CG-CH2 4.05Å; P474-W485 HydrophobicContact CG-CZ3 4.3Å; P474-V502 HydrophobicContact CG-CB 4.46Å; P474-V502 HydrophobicContact CG-CG1 3.6Å; P474-V502 HydrophobicContact CG-CG2 4.01Å |
| 475 | S | 90.4 | Very high | 91 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 131.7 | 172 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 476 | C | 92.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 153.6 | 170.7 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | G478 G479 T480 C504 | C476-G478 PolarHBondContact O-N 3.39Å; C476-G479 PolarHBondContact O-N 2.85Å; C476-T480 VanDerWaalsContact CB-O 3.3Å; C476-T480 WeakPolarHBondContact CB-O 2.96Å; C476-T480 WeakPolarHBondContact CB-OG1 3.37Å; C476-T480 PolarHBondContact N-O 2.84Å; C476-C504 HydrophobicContact CB-CB 3.9Å; C476-C504 WeakPolarHBondContact CB-SG 3.02Å; C476-C504 VanDerWaalsContact SG-CA 3.53Å; C476-C504 WeakPolarHBondContact SG-CB 3.25Å; C476-C504 CovalentContact SG-SG 2.04Å; C476-C504 PolarHBondContact SG-SG 3.34Å |
| 477 | P | 89.6 | Confident | 90.8 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.8 | -178 | 17.6 | -29.8 | 0 | 0 | 0 | 114.9 | M509 | P477-M509 HydrophobicContact CG-CE 3.98Å; P477-M509 HydrophobicContact CG-SD 4.38Å |
| 478 | G | 84.5 | Confident | 90.8 | Very high | 38 Ų | 38 | 47 Ų | 47 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | C476 T480 | C476-G478 PolarHBondContact O-N 3.39Å; G478-T480 PolarHBondContact O-N 3.2Å |
| 479 | G | 88.9 | Confident | 90.7 | Very high | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 76.9 | 0.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C476 | C476-G479 PolarHBondContact O-N 2.85Š|
| 480 | T | 88.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 55 Ų | 55 | 31% | 0.307 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74 | 146.2 | 171.4 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | C476 G478 L508 | C476-T480 VanDerWaalsContact CB-O 3.3Å; C476-T480 WeakPolarHBondContact CB-O 2.96Å; C476-T480 WeakPolarHBondContact CB-OG1 3.37Å; C476-T480 PolarHBondContact N-O 2.84Å; G478-T480 PolarHBondContact O-N 3.2Å; T480-L508 HydrophobicContact CG2-CD1 4.42Å |
| 481 | R | 88.5 | Confident | 90.3 | Very high | 189 Ų | 189 | 58.7 Ų | 58.7 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -75.6 | 132.2 | 174.8 | -70.7 | -175.6 | 175.9 | -177.6 | -1.8 | 109.4 | ||
| 482 | A | 91.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 142.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T473 V502 | T473-A482 HydrophobicContact CG2-CB 4.38Å; A482-V502 HydrophobicContact CB-CB 3.59Å; A482-V502 HydrophobicContact CB-CG1 4Å; A482-V502 HydrophobicContact CB-CG2 3.9Å |
| 483 | T | 90.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | trans | -86 | -34.4 | -177.1 | 47 | 0 | 0 | 0 | 0 | 112.7 | K464 Q496 C503 | K464-T483 WeakPolarHBondContact CD-O 3.45Å; K464-T483 WeakPolarHBondContact CE-O 3.49Å; K464-T483 PolarHBondContact NZ-O 3.4Å; T483-Q496 VanDerWaalsContact CG2-NE2 3.31Å; T483-Q496 VanDerWaalsContact OG1-CD 3.28Å; T483-Q496 PolarHBondContact OG1-NE2 2.9Å; T483-Q496 PolarHBondContact OG1-OE1 3.23Å; T483-C503 PolarHBondContact N-O 3.25Å; T483-C503 VanDerWaalsContact N-O 3.14Å; T483-C503 WeakPolarHBondContact OG1-CB 3.49Å; T483-C503 PolarHBondContact OG1-O 2.86Å | ||
| 484 | Q | 90.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -162.9 | 168 | 178.5 | 63 | -170.9 | 17.5 | 0 | 0 | 110.6 | D491 V502 C503 | Q484-D491 PolarHBondContact NE2-O 2.99Å; Q484-V502 WeakPolarHBondContact O-CA 3.43Å; Q484-C503 HydrophobicContact CG-CB 3.77Å; Q484-C503 WeakPolarHBondContact CG-SG 3.41Å; Q484-C503 PolarHBondContact NE2-SG 3.03Å; Q484-C503 PolarHBondContact O-N 3.45Å |
| 485 | W | 90.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 70.1 Ų | 70.1 | 10% | 0.102 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 150.6 | 168.9 | -64.6 | 93.1 | 0 | 0 | 0 | 109.9 | P446 Y466 C471 P472 P474 N501 V502 | P446-W485 HydrophobicContact CB-CZ3 4.35Å; P446-W485 HydrophobicContact CG-CE3 3.86Å; P446-W485 HydrophobicContact CG-CH2 3.29Å; P446-W485 HydrophobicContact CG-CZ2 3.99Å; P446-W485 HydrophobicContact CG-CZ3 3.21Å; Y466-W485 HydrophobicContact CD2-CB 3.98Å; Y466-W485 HydrophobicContact CD2-CD2 4.11Å; Y466-W485 HydrophobicContact CD2-CE3 4.44Å; Y466-W485 AromaticContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CG-CG 4.42Å; C471-W485 HydrophobicContact CB-CZ2 4.15Å; P472-W485 VanDerWaalsContact O-CZ2 3.28Å; P472-W485 WeakPolarHBondContact O-CZ2 3.01Å; P474-W485 HydrophobicContact CG-CH2 4.05Å; P474-W485 HydrophobicContact CG-CZ3 4.3Å; W485-N501 CarbonylContact C-O 3.58Å; W485-N501 WeakPolarHBondContact CA-O 3.05Å; W485-N501 HydrophobicContact CE3-CB 4.35Å; W485-N501 VanDerWaalsContact CE3-O 3.23Å; W485-V502 HydrophobicContact CD2-CG1 3.98Å; W485-V502 HydrophobicContact CE3-CG1 3.6Å; W485-V502 HydrophobicContact CH2-CG1 4.29Å; W485-V502 HydrophobicContact CZ3-CG1 3.74Å |
| 486 | C | 91.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | trans | -143.3 | 146.3 | 176.6 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | D491 C492 C498 N501 V502 | C486-D491 HydrophobicContact CB-CB 3.81Å; C486-C492 VanDerWaalsContact SG-SG 3.7Å; C486-C498 HydrophobicContact CB-CB 3.86Å; C486-C498 WeakPolarHBondContact CB-SG 3.46Å; C486-C498 PolarHBondContact O-SG 2.9Å; C486-C498 WeakPolarHBondContact SG-CA 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.39Å; C486-C498 CovalentContact SG-SG 2.02Å; C486-C498 PolarHBondContact SG-SG 3.2Å; C486-N501 PolarHBondContact N-O 3.47Å; C486-N501 CarbonylContact O-C 3.44Å; C486-N501 WeakPolarHBondContact O-CA 2.95Å; C486-N501 WeakPolarHBondContact O-CB 3.33Å; C486-V502 VanDerWaalsContact SG-CA 3.57Å; C486-V502 PolarHBondContact SG-N 3.1Å; C486-V502 VanDerWaalsContact SG-N 3.39Å | ||
| 487 | D | 91.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -99.1 | -26.3 | 165.8 | -81.6 | -32.5 | 0 | 0 | 0 | 110.4 | D491 | D487-D491 PolarHBondContact N-OD2 3.09Š|
| 488 | V | 91.5 | Very high | 90.9 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -136.5 | 155.2 | 178.8 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | S490 D491 | V488-S490 WeakPolarHBondContact CG2-OG 3.01Å; V488-S490 PolarHBondContact O-N 2.77Å; V488-S490 VanDerWaalsContact O-N 3.12Å; V488-D491 WeakPolarHBondContact CG2-OD1 2.88Å; V488-D491 WeakPolarHBondContact CG2-OD2 3.28Å; V488-D491 PolarHBondContact N-OD2 2.04Å; V488-D491 WeakPolarHBondContact O-CB 3.48Å; V488-D491 PolarHBondContact O-N 2.9Å |
| 489 | D | 88 | Confident | 91.3 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -56.4 | -29.4 | 179.9 | -75.4 | -45.4 | 0 | 0 | 0 | 113.7 | D491 C492 C498 | D489-D491 PolarHBondContact O-N 3.4Å; D489-C492 WeakPolarHBondContact O-CB 3.28Å; D489-C492 PolarHBondContact O-N 2.83Å; D489-C498 WeakPolarHBondContact OD1-CA 3.46Å; D489-C498 VanDerWaalsContact OD1-CB 3.22Å; D489-C498 WeakPolarHBondContact OD1-CB 3.24Å; D489-C498 PolarHBondContact OD1-N 2.92Å |
| 490 | S | 89.6 | Confident | 91.4 | Very high | 104 Ų | 104 | 69.8 Ų | 69.8 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -69.5 | -15.3 | 178.6 | 53 | 0 | 0 | 0 | 0 | 114.3 | V488 C492 | V488-S490 WeakPolarHBondContact CG2-OG 3.01Å; V488-S490 PolarHBondContact O-N 2.77Å; V488-S490 VanDerWaalsContact O-N 3.12Å; S490-C492 PolarHBondContact O-N 3.23Å |
| 491 | D | 91.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 71.1 Ų | 71.1 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -73.8 | -22.2 | 176.7 | -62.7 | -25.1 | 0 | 0 | 0 | 111.2 | Q484 C486 D487 V488 D489 | Q484-D491 PolarHBondContact NE2-O 2.99Å; C486-D491 HydrophobicContact CB-CB 3.81Å; D487-D491 PolarHBondContact N-OD2 3.09Å; V488-D491 WeakPolarHBondContact CG2-OD1 2.88Å; V488-D491 WeakPolarHBondContact CG2-OD2 3.28Å; V488-D491 PolarHBondContact N-OD2 2.04Å; V488-D491 WeakPolarHBondContact O-CB 3.48Å; V488-D491 PolarHBondContact O-N 2.9Å; D489-D491 PolarHBondContact O-N 3.4Å |
| 492 | C | 94.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 62.3 Ų | 62.3 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -80.7 | 146.7 | -175.4 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | C486 D489 S490 Q496 C503 | C486-C492 VanDerWaalsContact SG-SG 3.7Å; D489-C492 WeakPolarHBondContact O-CB 3.28Å; D489-C492 PolarHBondContact O-N 2.83Å; S490-C492 PolarHBondContact O-N 3.23Å; C492-Q496 HydrophobicContact CB-CB 3.85Å; C492-C503 WeakPolarHBondContact CA-SG 3.39Å; C492-C503 HydrophobicContact CB-CB 3.79Å; C492-C503 WeakPolarHBondContact CB-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.05Å; C492-C503 WeakPolarHBondContact SG-CB 3.44Å; C492-C503 CovalentContact SG-SG 2.03Å; C492-C503 PolarHBondContact SG-SG 2.89Å |
| 493 | M | 92.5 | Very high | 91.9 | Very high | 129 Ų | 129 | 62 Ų | 62 | 64% | 0.635 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 150.4 | 173.2 | -68.1 | -163.7 | 110.3 | 0 | 0 | 110.7 | G495 Q496 | M493-G495 PolarHBondContact O-N 2.86Å; M493-Q496 WeakPolarHBondContact O-CB 3.33Å; M493-Q496 PolarHBondContact O-N 3.43Å |
| 494 | P | 92.6 | Very high | 92.1 | Very high | 135 Ų | 135 | 60 Ų | 60 | 88% | 0.877 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 126.3 | 178.1 | -25.5 | 32.8 | 0 | 0 | 0 | 112.1 | ||
| 495 | G | 90.8 | Very high | 92.2 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 9.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M493 D506 | M493-G495 PolarHBondContact O-N 2.86Å; G495-D506 WeakPolarHBondContact O-CB 3Å; G495-D506 PolarHBondContact O-N 3.31Å |
| 496 | Q | 94.2 | Very high | 91.7 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.7 | 169.9 | -63.9 | 176.9 | -1.4 | 0 | 0 | 109.9 | T483 C492 M493 C503 C504 | T483-Q496 VanDerWaalsContact CG2-NE2 3.31Å; T483-Q496 VanDerWaalsContact OG1-CD 3.28Å; T483-Q496 PolarHBondContact OG1-NE2 2.9Å; T483-Q496 PolarHBondContact OG1-OE1 3.23Å; C492-Q496 HydrophobicContact CB-CB 3.85Å; M493-Q496 WeakPolarHBondContact O-CB 3.33Å; M493-Q496 PolarHBondContact O-N 3.43Å; Q496-C503 HydrophobicContact CB-CB 4.25Å; Q496-C504 CarbonylContact C-O 3.43Å; Q496-C504 WeakPolarHBondContact CA-O 3.13Å; Q496-C504 WeakPolarHBondContact CB-O 3.24Å |
| 497 | S | 93.5 | Very high | 90.5 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.7 | 172 | 51 | 0 | 0 | 0 | 0 | 110.7 | I499 C503 C504 D506 | S497-I499 PolarHBondContact O-N 3.32Å; S497-C503 WeakPolarHBondContact O-CA 3.02Å; S497-C504 PolarHBondContact N-O 3.42Å; S497-C504 PolarHBondContact O-N 2.94Å; S497-D506 WeakPolarHBondContact CB-OD1 3.39Å; S497-D506 PolarHBondContact OG-OD1 2.92Å |
| 498 | C | 94.8 | Very high | 89.2 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 105.5 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | C486 D489 | C486-C498 HydrophobicContact CB-CB 3.86Å; C486-C498 WeakPolarHBondContact CB-SG 3.46Å; C486-C498 PolarHBondContact O-SG 2.9Å; C486-C498 WeakPolarHBondContact SG-CA 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.39Å; C486-C498 CovalentContact SG-SG 2.02Å; C486-C498 PolarHBondContact SG-SG 3.2Å; D489-C498 WeakPolarHBondContact OD1-CA 3.46Å; D489-C498 VanDerWaalsContact OD1-CB 3.22Å; D489-C498 WeakPolarHBondContact OD1-CB 3.24Å; D489-C498 PolarHBondContact OD1-N 2.92Å |
| 499 | I | 92 | Very high | 87.6 | Confident | 41 Ų | 41 | 66 Ų | 66 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.9 | -179.1 | -55.3 | -178.9 | 0 | 0 | 0 | 107.8 | S497 N501 V502 C504 M509 | S497-I499 PolarHBondContact O-N 3.32Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.28Å; I499-V502 PolarHBondContact N-O 3.26Å; I499-V502 WeakPolarHBondContact O-CG2 3.3Å; I499-V502 PolarHBondContact O-N 2.93Å; I499-V502 VanDerWaalsContact O-N 3.13Å; I499-C504 HydrophobicContact CD1-CB 4.24Å; I499-M509 HydrophobicContact CD1-CE 3.68Å |
| 500 | Q | 91 | Very high | 86.3 | Confident | 151 Ų | 151 | 70.2 Ų | 70.2 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 43.6 | -178.1 | -60.7 | 178.5 | -24.1 | 0 | 0 | 113.1 | V502 | Q500-V502 PolarHBondContact O-N 2.04Š|
| 501 | N | 92.2 | Very high | 84.9 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 18.8 | -178.6 | -50.3 | -27.9 | 0 | 0 | 0 | 114.8 | W485 C486 I499 | W485-N501 CarbonylContact C-O 3.58Å; W485-N501 WeakPolarHBondContact CA-O 3.05Å; W485-N501 HydrophobicContact CE3-CB 4.35Å; W485-N501 VanDerWaalsContact CE3-O 3.23Å; C486-N501 PolarHBondContact N-O 3.47Å; C486-N501 CarbonylContact O-C 3.44Å; C486-N501 WeakPolarHBondContact O-CA 2.95Å; C486-N501 WeakPolarHBondContact O-CB 3.33Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.28Å |
| 502 | V | 93.1 | Very high | 83.2 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.6 | 172.8 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | P474 A482 Q484 W485 C486 I499 Q500 C504 | P474-V502 HydrophobicContact CG-CB 4.46Å; P474-V502 HydrophobicContact CG-CG1 3.6Å; P474-V502 HydrophobicContact CG-CG2 4.01Å; A482-V502 HydrophobicContact CB-CB 3.59Å; A482-V502 HydrophobicContact CB-CG1 4Å; A482-V502 HydrophobicContact CB-CG2 3.9Å; Q484-V502 WeakPolarHBondContact O-CA 3.43Å; W485-V502 HydrophobicContact CD2-CG1 3.98Å; W485-V502 HydrophobicContact CE3-CG1 3.6Å; W485-V502 HydrophobicContact CH2-CG1 4.29Å; W485-V502 HydrophobicContact CZ3-CG1 3.74Å; C486-V502 VanDerWaalsContact SG-CA 3.57Å; C486-V502 PolarHBondContact SG-N 3.1Å; C486-V502 VanDerWaalsContact SG-N 3.39Å; I499-V502 PolarHBondContact N-O 3.26Å; I499-V502 WeakPolarHBondContact O-CG2 3.3Å; I499-V502 PolarHBondContact O-N 2.93Å; I499-V502 VanDerWaalsContact O-N 3.13Å; Q500-V502 PolarHBondContact O-N 2.04Å; V502-C504 PolarHBondContact O-N 3.49Å |
| 503 | C | 95 | Very high | 81.4 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117.7 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | T483 Q484 C492 Q496 S497 | T483-C503 PolarHBondContact N-O 3.25Å; T483-C503 VanDerWaalsContact N-O 3.14Å; T483-C503 WeakPolarHBondContact OG1-CB 3.49Å; T483-C503 PolarHBondContact OG1-O 2.86Å; Q484-C503 HydrophobicContact CG-CB 3.77Å; Q484-C503 WeakPolarHBondContact CG-SG 3.41Å; Q484-C503 PolarHBondContact NE2-SG 3.03Å; Q484-C503 PolarHBondContact O-N 3.45Å; C492-C503 WeakPolarHBondContact CA-SG 3.39Å; C492-C503 HydrophobicContact CB-CB 3.79Å; C492-C503 WeakPolarHBondContact CB-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.05Å; C492-C503 WeakPolarHBondContact SG-CB 3.44Å; C492-C503 CovalentContact SG-SG 2.03Å; C492-C503 PolarHBondContact SG-SG 2.89Å; Q496-C503 HydrophobicContact CB-CB 4.25Å; S497-C503 WeakPolarHBondContact O-CA 3.02Å |
| 504 | C | 94.8 | Very high | 79.7 | Confident | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.027 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.9 | 178.7 | -67.5 | 0 | 0 | 0 | 0 | 110 | C476 Q496 S497 I499 V502 D506 | C476-C504 HydrophobicContact CB-CB 3.9Å; C476-C504 WeakPolarHBondContact CB-SG 3.02Å; C476-C504 VanDerWaalsContact SG-CA 3.53Å; C476-C504 WeakPolarHBondContact SG-CB 3.25Å; C476-C504 CovalentContact SG-SG 2.04Å; C476-C504 PolarHBondContact SG-SG 3.34Å; Q496-C504 CarbonylContact C-O 3.43Å; Q496-C504 WeakPolarHBondContact CA-O 3.13Å; Q496-C504 WeakPolarHBondContact CB-O 3.24Å; S497-C504 PolarHBondContact N-O 3.42Å; S497-C504 PolarHBondContact O-N 2.94Å; I499-C504 HydrophobicContact CD1-CB 4.24Å; V502-C504 PolarHBondContact O-N 3.49Å; C504-D506 PolarHBondContact O-N 3.17Å |
| 505 | S | 92.1 | Very high | 78 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 122.5 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112 | L507 | S505-L507 PolarHBondContact O-N 3.12Å |
| 506 | D | 79.8 | Confident | 76.2 | Confident | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.2 | -176.5 | -79.5 | -33.4 | 0 | 0 | 0 | 113.9 | G495 S497 C504 L508 M509 R510 | G495-D506 WeakPolarHBondContact O-CB 3Å; G495-D506 PolarHBondContact O-N 3.31Å; S497-D506 WeakPolarHBondContact CB-OD1 3.39Å; S497-D506 PolarHBondContact OG-OD1 2.92Å; C504-D506 PolarHBondContact O-N 3.17Å; D506-L508 PolarHBondContact O-N 2.87Å; D506-M509 PolarHBondContact O-N 3.16Å; D506-R510 PolarHBondContact O-N 2.01Å |
| 507 | L | 67.7 | Low | 73.7 | Confident | 139 Ų | 139 | 83.2 Ų | 83.2 | 73% | 0.728 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.4 | -174.2 | -93.6 | 153.9 | 0 | 0 | 0 | 113.6 | S505 L511 | S505-L507 PolarHBondContact O-N 3.12Å; L507-L511 WeakPolarHBondContact O-CD1 3.38Å |
| 508 | L | 61.9 | Low | 71.9 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -26.4 | 175.7 | -106.7 | 110 | 0 | 0 | 0 | 114.4 | T480 D506 | T480-L508 HydrophobicContact CG2-CD1 4.42Å; D506-L508 PolarHBondContact O-N 2.87Å |
| 509 | M | 59.6 | Low | 69.6 | Low | 84 Ų | 84 | 98.2 Ų | 98.2 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.7 | -33.3 | -177.3 | -72.3 | -74.1 | -98.1 | 0 | 0 | 111.7 | P477 I499 D506 T513 | P477-M509 HydrophobicContact CG-CE 3.98Å; P477-M509 HydrophobicContact CG-SD 4.38Å; I499-M509 HydrophobicContact CD1-CE 3.68Å; D506-M509 PolarHBondContact O-N 3.16Å; M509-T513 PolarHBondContact O-OG1 3.05Å |
| 510 | R | 60 | Low | 67.6 | Low | 194 Ų | 194 | 103.8 Ų | 103.8 | 73% | 0.732 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.8 | -28.1 | 174.9 | -85.1 | -175.8 | 164.7 | 178.5 | -2.5 | 114.3 | D506 T513 T514 | D506-R510 PolarHBondContact O-N 2.01Å; R510-T513 PolarHBondContact O-OG1 3.32Å; R510-T514 PolarHBondContact O-N 2.88Å; R510-T514 PolarHBondContact O-OG1 3.15Å |
| 511 | L | 59.9 | Low | 65.7 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.4 | -29.7 | 179.4 | -78.7 | 165.8 | 0 | 0 | 0 | 113 | L507 | L507-L511 WeakPolarHBondContact O-CD1 3.38Å |
| 512 | K | 56.7 | Low | 63.6 | Low | 154 Ų | 154 | 108 Ų | 108 | 67% | 0.67 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80 | -25 | 176.2 | -77.5 | -175.3 | 175.9 | -179.8 | 0 | 113.7 | ||
| 513 | T | 56.2 | Low | 61.6 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -83.8 | -15.3 | 176.4 | 32.2 | 0 | 0 | 0 | 0 | 113.6 | M509 R510 | M509-T513 PolarHBondContact O-OG1 3.05Å; R510-T513 PolarHBondContact O-OG1 3.32Å |
| 514 | T | 56.3 | Low | 59.4 | Low | 110 Ų | 110 | 122.4 Ų | 122.4 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -95.6 | -13.3 | 174.7 | 34.4 | 0 | 0 | 0 | 0 | 114.4 | R510 | R510-T514 PolarHBondContact O-N 2.88Å; R510-T514 PolarHBondContact O-OG1 3.15Å |
| 515 | A | 55.6 | Low | 57.5 | Low | 76 Ų | 76 | 134.2 Ų | 134.2 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -86.6 | -12.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 516 | F | 53.4 | Low | 55.6 | Low | 193 Ų | 193 | 136 Ų | 136 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -124.5 | 65.1 | 169.2 | -81.9 | -88.4 | 0 | 0 | 0 | 109.4 | ||
| 517 | G | 42.2 | Very low | 54.4 | Low | 58 Ų | 58 | 144.7 Ų | 144.7 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | trans | -62.4 | 129.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R519 | G517-R519 PolarHBondContact O-N 3.1Š| ||
| 518 | P | 56.3 | Low | 54 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | trans | -64.5 | 131.1 | 153 | 28.7 | -28.2 | 0 | 0 | 0 | 106.8 | L520 | P518-L520 PolarHBondContact O-N 3.21Š| ||
| 519 | R | 46 | Very low | 53.9 | Low | 242 Ų | 242 | 146.4 Ų | 146.4 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -36.1 | 113.5 | 176.2 | -76.5 | 178.5 | 169.9 | 177.6 | -3.3 | 111.3 | G517 N521 | G517-R519 PolarHBondContact O-N 3.1Å; R519-N521 PolarHBondContact O-N 2.84Å | ||
| 520 | L | 50.5 | Low | 54 | Low | 159 Ų | 159 | 153.9 Ų | 153.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -57.2 | 106.6 | 159.7 | -80.9 | 165.6 | 0 | 0 | 0 | 107.5 | P518 L522 | P518-L520 PolarHBondContact O-N 3.21Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 HydrophobicContact CB-CD1 4.43Å; L520-L522 PolarHBondContact O-N 3.11Å; L520-L522 VanDerWaalsContact O-N 3.13Å | ||
| 521 | N | 49.6 | Very low | 53.7 | Low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 87.3 | 166.1 | -139.3 | -26 | 0 | 0 | 0 | 106.2 | R519 G523 | R519-N521 PolarHBondContact O-N 2.84Å; N521-G523 PolarHBondContact O-N 3.09Å | ||
| 522 | L | 49.7 | Very low | 53.4 | Low | 159 Ų | 159 | 153.6 Ų | 153.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 77.4 | 163.7 | -102.7 | 112.8 | 0 | 0 | 0 | 108.1 | L520 R524 | L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 HydrophobicContact CB-CD1 4.43Å; L520-L522 PolarHBondContact O-N 3.11Å; L520-L522 VanDerWaalsContact O-N 3.13Å; L522-R524 PolarHBondContact O-N 3.44Å | ||
| 523 | G | 50.7 | Low | 53.2 | Low | 63 Ų | 63 | 153.6 Ų | 153.6 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 106.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | N521 R525 | N521-G523 PolarHBondContact O-N 3.09Å; G523-R525 PolarHBondContact O-N 3.11Å | ||
| 524 | R | 49.6 | Very low | 53 | Low | 243 Ų | 243 | 156.4 Ų | 156.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -21.4 | 127 | 158.2 | -70.4 | 170.4 | 177.7 | 172.3 | -1.5 | 114.1 | L522 | L522-R524 PolarHBondContact O-N 3.44Š| ||
| 525 | R | 53.8 | Low | 52.8 | Low | 252 Ų | 252 | 159.3 Ų | 159.3 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | -162.6 | 108.3 | 127 | -111.4 | 172.1 | -168.1 | 178.8 | 3.3 | 110.8 | G523 | G523-R525 PolarHBondContact O-N 3.11Š| |||
| 526 | A | 52.2 | Low | 52.7 | Low | 89 Ų | 89 | 164.8 Ų | 164.8 | 74% | 0.736 | 84% | 0.838 | S | S | * | * | trans | -84.5 | 153.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 527 | R | 55 | Low | 52.6 | Low | 231 Ų | 231 | 162.8 Ų | 162.8 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | 72.3 | 109 | 159 | -64.7 | -177.7 | -170.8 | 177.1 | 1.8 | 119 | ||||
| 528 | N | 58.3 | Low | 53.4 | Low | 140 Ų | 140 | 170.8 Ų | 170.8 | 75% | 0.749 | 86% | 0.856 | S | S | * | * | -177.6 | 116.8 | 103.6 | -92.3 | -1.6 | 0 | 0 | 0 | 106 | |||||
| 529 | T | 61.6 | Low | 53.2 | Low | 122 Ų | 122 | 174.9 Ų | 174.9 | 75% | 0.748 | 86% | 0.861 | S | S | * | * | 38.5 | 89 | 89.1 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 530 | D | 61.2 | Low | 53.8 | Low | 241 Ų | 241 | 168.8 Ų | 168.8 | 100% | 1.289 | 86% | 0.856 | S | S | * | * | -149.7 | 0 | 106.1 | -90.1 | -32.6 | 0 | 0 | 0 | 109.6 |
Retrieved 530 of 530 residues in 425.6 ms
(Link to these results)