| 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 | 34.2 | Very low | 29.6 | Very low | 246 Ų | 246 | 176 Ų | 176 | 100% | 1.212 | 87% | 0.865 | S | S | * | * | 0 | 110.2 | 0 | -94.6 | 172.6 | 170.9 | 0 | 0 | 107.2 | |||||
| 2 | A | 27.6 | Very low | 29.7 | Very low | 104 Ų | 104 | 173.1 Ų | 173.1 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 131.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 3 | V | 31.9 | Very low | 29.6 | Very low | 134 Ų | 134 | 175.5 Ų | 175.5 | 81% | 0.812 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 129.6 | 174.5 | -169.6 | 0 | 0 | 0 | 0 | 107.8 | ||
| 4 | P | 30.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 175.2 Ų | 175.2 | 74% | 0.74 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 136.3 | -173.7 | 31.7 | -31.6 | 0 | 0 | 0 | 111.6 | ||
| 5 | F | 25.8 | Very low | 29.4 | Very low | 209 Ų | 209 | 176.4 Ų | 176.4 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128 | 169.2 | -90 | -94.1 | 0 | 0 | 0 | 110.7 | ||
| 6 | R | 27.3 | Very low | 29.4 | Very low | 233 Ų | 233 | 172.9 Ų | 172.9 | 88% | 0.879 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 136.4 | 166.5 | -80.3 | -174.6 | 178.1 | -163 | 0.9 | 109.7 | ||
| 7 | P | 25.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 166.3 Ų | 166.3 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.1 | 172.9 | 30 | -29.8 | 0 | 0 | 0 | 110 | R9 | P7-R9 PolarHBondContact O-N 2.8Š|
| 8 | L | 31.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 167.1 Ų | 167.1 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.8 | 171.2 | -86.9 | 146.6 | 0 | 0 | 0 | 109.6 | ||
| 9 | R | 28.3 | Very low | 29.2 | Very low | 223 Ų | 223 | 165.3 Ų | 165.3 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 128.8 | 168.3 | -72.1 | -175 | -164.1 | -159.4 | 2.7 | 108.7 | P7 E11 | P7-R9 PolarHBondContact O-N 2.8Å; R9-E11 PolarHBondContact O-N 3.24Å |
| 10 | R | 33.8 | Very low | 29.1 | Very low | 227 Ų | 227 | 159.9 Ų | 159.9 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -64.3 | 109 | 157.4 | -100.6 | -177.5 | 173.1 | 161.8 | -2.7 | 107.9 | ||||
| 11 | E | 30.1 | Very low | 29.1 | Very low | 149 Ų | 149 | 158.1 Ų | 158.1 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | trans | -114.7 | 99 | 154.8 | -75.5 | -166 | 145.6 | 0 | 0 | 107.8 | R9 R13 | R9-E11 PolarHBondContact O-N 3.24Å; E11-R13 PolarHBondContact O-N 3.23Å; E11-R13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | D | 30.7 | Very low | 28.9 | Very low | 141 Ų | 141 | 154.8 Ų | 154.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -68.3 | 99.8 | 166.3 | -67.3 | -43.9 | 0 | 0 | 0 | 108.1 | ||||
| 13 | R | 27.7 | Very low | 28.9 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -105.1 | 101.4 | 157.6 | -74.1 | -165.4 | -164.7 | -160.5 | 5.6 | 108.8 | E11 F15 | E11-R13 PolarHBondContact O-N 3.23Å; E11-R13 VanDerWaalsContact O-N 3.14Å; R13-F15 PolarHBondContact O-N 3.25Å | ||
| 14 | L | 30.5 | Very low | 28.9 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 99.4 | 164.9 | -87.3 | 141 | 0 | 0 | 0 | 109.9 | ||||
| 15 | F | 26.4 | Very low | 29 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -90.7 | 110.5 | 151.9 | -96.6 | -87.4 | 0 | 0 | 0 | 107.8 | R13 G17 | R13-F15 PolarHBondContact O-N 3.25Å; F15-G17 PolarHBondContact O-N 3.38Å | ||
| 16 | S | 29.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -65.6 | 125.4 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 17 | G | 29.1 | Very low | 29.4 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 90 | 68.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F15 | F15-G17 PolarHBondContact O-N 3.38Š|
| 18 | F | 29.1 | Very low | 29.6 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 79% | 0.789 | 70% | 0.7 | S | S | * | * | trans | -176.3 | 76.4 | 145.6 | -104.3 | -76.3 | 0 | 0 | 0 | 108 | C20 | F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.12Å | ||
| 19 | T | 25.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | trans | -78.9 | 78.2 | 172.8 | 33 | 0 | 0 | 0 | 0 | 109.8 | L21 | T19-L21 PolarHBondContact O-N 3.01Š| ||
| 20 | C | 28.8 | Very low | 30.2 | Very low | 57 Ų | 57 | 128.6 Ų | 128.6 | 39% | 0.385 | 67% | 0.67 | S | S | . | * | trans | -79.5 | 96.5 | 155.6 | -160.2 | 0 | 0 | 0 | 0 | 105.9 | F18 F22 | F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.12Å; C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 HydrophobicContact CB-CE2 4.24Å; C20-F22 WeakPolarHBondContact O-CD2 3.49Å; C20-F22 VanDerWaalsContact O-CE2 3.31Å; C20-F22 WeakPolarHBondContact O-CE2 3.31Å; C20-F22 PolarHBondContact O-N 3.02Å | ||
| 21 | L | 27.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 64% | 0.639 | 66% | 0.662 | S | S | * | * | trans | -72.5 | 93.4 | -178.7 | -135 | 87.6 | 0 | 0 | 0 | 108.6 | T19 S23 | T19-L21 PolarHBondContact O-N 3.01Å; L21-S23 PolarHBondContact O-N 3.39Å | ||
| 22 | F | 30.8 | Very low | 30.1 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | trans | -59.4 | 121.8 | 172.1 | -65.1 | -88.5 | 0 | 0 | 0 | 109.2 | C20 | C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 HydrophobicContact CB-CE2 4.24Å; C20-F22 WeakPolarHBondContact O-CD2 3.49Å; C20-F22 VanDerWaalsContact O-CE2 3.31Å; C20-F22 WeakPolarHBondContact O-CE2 3.31Å; C20-F22 PolarHBondContact O-N 3.02Å | ||
| 23 | S | 28.3 | Very low | 29.9 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 49% | 0.49 | 65% | 0.648 | S | S | . | * | trans | -112.4 | 99.7 | 163 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | L21 F25 | L21-S23 PolarHBondContact O-N 3.39Å; S23-F25 VanDerWaalsContact CB-CD2 3.47Å; S23-F25 PolarHBondContact O-N 3.31Å | ||
| 24 | V | 30.3 | Very low | 30 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 62% | 0.624 | 65% | 0.651 | S | S | * | * | trans | -70.3 | 103.4 | 158.1 | 175.5 | 0 | 0 | 0 | 0 | 105.7 | L37 | V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CD2 3.51Å; V24-L37 HydrophobicContact CG1-CG 3.6Å | ||
| 25 | F | 33 | Very low | 30 | Very low | 102 Ų | 102 | 106.4 Ų | 106.4 | 45% | 0.447 | 62% | 0.616 | S | S | . | * | trans | -97.6 | 110.8 | 176 | -75.9 | -67.6 | 0 | 0 | 0 | 109.6 | S23 S27 | S23-F25 VanDerWaalsContact CB-CD2 3.47Å; S23-F25 PolarHBondContact O-N 3.31Å; F25-S27 PolarHBondContact O-N 2.79Å | ||
| 26 | T | 29.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 99 Ų | 99 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | trans | -72.6 | 110.2 | 158.9 | 49.3 | 0 | 0 | 0 | 0 | 107.8 | L37 | T26-L37 HydrophobicContact CG2-CD1 3.68Š| ||
| 27 | S | 32.8 | Very low | 30.7 | Very low | 47 Ų | 47 | 96.9 Ų | 96.9 | 33% | 0.329 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -90.2 | 125.9 | 167.8 | -168.6 | 0 | 0 | 0 | 0 | 108.5 | F25 V35 | F25-S27 PolarHBondContact O-N 2.79Å; S27-V35 VanDerWaalsContact O-CB 3.25Å; S27-V35 WeakPolarHBondContact O-CB 3.36Å; S27-V35 WeakPolarHBondContact O-CG2 3.2Å |
| 28 | A | 28.4 | Very low | 31.7 | Very low | 82 Ų | 82 | 95 Ų | 95 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | B | Isolated β-bridge | trans | -94.3 | 126.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 29 | N | 35.1 | Very low | 32.2 | Very low | 45 Ų | 45 | 88.8 Ų | 88.8 | 24% | 0.241 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 154.1 | 170.3 | -171.4 | -3.2 | 0 | 0 | 0 | 109.8 | N31 G32 V35 Y122 | N29-N31 PolarHBondContact O-N 3.09Å; N29-G32 PolarHBondContact O-N 2.8Å; N29-V35 HydrophobicContact CB-CG2 3.93Å; N29-Y122 PolarHBondContact ND2-OH 3.48Å; N29-Y122 VanDerWaalsContact ND2-OH 3.16Å |
| 30 | K | 37 | Very low | 33.1 | Very low | 208 Ų | 208 | 84.2 Ų | 84.2 | 90% | 0.904 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -13.9 | 175.6 | -72.4 | -179.8 | 179.7 | 172.2 | 0 | 114 | ||
| 31 | N | 33.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 85.5 Ų | 85.5 | 69% | 0.69 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 7.6 | -179.5 | -64.2 | -10.1 | 0 | 0 | 0 | 114.6 | N29 S33 | N29-N31 PolarHBondContact O-N 3.09Å; N31-S33 VanDerWaalsContact C-N 3.3Å; N31-S33 PolarHBondContact O-N 2.8Å |
| 32 | G | 29.1 | Very low | 34.7 | Very low | 65 Ų | 65 | 81.3 Ų | 81.3 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | trans | 77.5 | 3.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | N29 | N29-G32 PolarHBondContact O-N 2.8Š| ||
| 33 | S | 27.1 | Very low | 35 | Very low | 69 Ų | 69 | 74.2 Ų | 74.2 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | trans | -74.8 | 131.1 | 167.7 | -64 | 0 | 0 | 0 | 0 | 110.5 | N31 V35 | N31-S33 VanDerWaalsContact C-N 3.3Å; N31-S33 PolarHBondContact O-N 2.8Å; S33-V35 PolarHBondContact O-N 2.95Å | ||
| 34 | V | 28.5 | Very low | 35.5 | Very low | 139 Ų | 139 | 74 Ų | 74 | 84% | 0.842 | 44% | 0.438 | S | S | * | . | B | Isolated β-bridge | trans | -64.6 | 110.7 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 35 | V | 31.6 | Very low | 36.1 | Very low | 26 Ų | 26 | 70.8 Ų | 70.8 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | trans | -80.6 | 135.2 | 175.2 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | S27 N29 S33 | S27-V35 VanDerWaalsContact O-CB 3.25Å; S27-V35 WeakPolarHBondContact O-CB 3.36Å; S27-V35 WeakPolarHBondContact O-CG2 3.2Å; N29-V35 HydrophobicContact CB-CG2 3.93Å; S33-V35 PolarHBondContact O-N 2.95Å | ||
| 36 | A | 34.3 | Very low | 36.5 | Very low | 36 Ų | 36 | 71.5 Ų | 71.5 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | trans | -45 | 141.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | R38 | A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.48Å | ||
| 37 | L | 34.6 | Very low | 36.8 | Very low | 76 Ų | 76 | 69.7 Ų | 69.7 | 40% | 0.398 | 41% | 0.411 | S | S | . | . | trans | -62.9 | 85.5 | 179.3 | -138 | 78.5 | 0 | 0 | 0 | 108.7 | V24 T26 V39 Q91 | V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CD2 3.51Å; V24-L37 HydrophobicContact CG1-CG 3.6Å; T26-L37 HydrophobicContact CG2-CD1 3.68Å; L37-V39 PolarHBondContact O-N 2.95Å; L37-Q91 PolarHBondContact O-NE2 3.22Å | ||
| 38 | R | 50.1 | Low | 37.2 | Very low | 23 Ų | 23 | 72.2 Ų | 72.2 | 9% | 0.087 | 42% | 0.42 | C | S | . | . | trans | -74.6 | 113 | 178.9 | -78 | -169.3 | 171.9 | 149.1 | 10 | 109.2 | A36 V40 E106 L108 D126 | A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.48Å; R38-V40 HydrophobicContact CB-CG2 4.23Å; R38-V40 PolarHBondContact O-N 2.79Å; R38-E106 IonicContact CZ-OE2 2.63Å; R38-E106 IonicContact NE-OE1 3.26Å; R38-E106 IonicContact NE-OE2 2.83Å; R38-E106 PolarHBondContact NE-OE2 3.47Å; R38-E106 IonicContact NH2-OE2 3.96Å; R38-E106 PolarHBondContact NH2-OE2 3.41Å; R38-L108 VanDerWaalsContact NH2-CD1 3.32Å; R38-D126 IonicContact CZ-OD2 3.43Å; R38-D126 VanDerWaalsContact NH1-CG 3.32Å; R38-D126 IonicContact NH1-OD2 2.87Å; R38-D126 PolarHBondContact NH1-OD2 3.47Å; R38-D126 IonicContact NH2-OD2 3.84Å; R38-D126 PolarHBondContact NH2-OD2 3.09Å | ||
| 39 | V | 40.1 | Very low | 37.7 | Very low | 48 Ų | 48 | 74.2 Ų | 74.2 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | trans | -77.8 | 66.3 | 174.8 | -166.3 | 0 | 0 | 0 | 0 | 109.2 | L37 F41 R85 | L37-V39 PolarHBondContact O-N 2.95Å; V39-F41 PolarHBondContact O-N 2.85Å; V39-R85 VanDerWaalsContact CG1-NH1 3.3Å | ||
| 40 | V | 44.9 | Very low | 37.7 | Very low | 38 Ų | 38 | 81.6 Ų | 81.6 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | trans | -92 | 97.8 | 166.9 | -160.4 | 0 | 0 | 0 | 0 | 108.4 | R38 N131 | R38-V40 HydrophobicContact CB-CG2 4.23Å; R38-V40 PolarHBondContact O-N 2.79Å; V40-N131 WeakPolarHBondContact CB-OD1 3.39Å; V40-N131 WeakPolarHBondContact CG1-OD1 3.39Å | ||
| 41 | F | 44.9 | Very low | 37.7 | Very low | 85 Ų | 85 | 78.3 Ų | 78.3 | 37% | 0.373 | 44% | 0.437 | S | S | . | . | trans | -173.6 | 85.3 | 141.9 | -119.4 | -104.5 | 0 | 0 | 0 | 106.4 | V39 C43 V169 K171 F172 | V39-F41 PolarHBondContact O-N 2.85Å; F41-C43 HydrophobicContact CD1-CB 3.58Å; F41-C43 HydrophobicContact CE1-CB 4.16Å; F41-C43 PolarHBondContact O-N 2.8Å; F41-V169 HydrophobicContact CE2-CG1 4.47Å; F41-V169 HydrophobicContact CZ-CG1 4.45Å; F41-K171 HydrophobicContact CE1-CB 4.37Å; F41-K171 HydrophobicContact CE1-CD 3.74Å; F41-K171 HydrophobicContact CE1-CG 3.65Å; F41-K171 HydrophobicContact CZ-CB 4.46Å; F41-K171 HydrophobicContact CZ-CD 4.29Å; F41-K171 HydrophobicContact CZ-CG 3.73Å; F41-F172 HydrophobicContact CE1-CE2 4.37Å | ||
| 42 | L | 44.6 | Very low | 37.8 | Very low | 34 Ų | 34 | 77.7 Ų | 77.7 | 18% | 0.178 | 44% | 0.443 | C | S | . | . | trans | -79.1 | 62.9 | 167.9 | -150.4 | 84.4 | 0 | 0 | 0 | 108.7 | L45 A95 | L42-L45 HydrophobicContact CD1-CD1 3.77Å; L42-L45 HydrophobicContact CD2-CD1 4.23Å; L42-L45 HydrophobicContact CG-CD1 3.96Å; L42-A95 HydrophobicContact CD2-CB 3.52Å | ||
| 43 | C | 37.7 | Very low | 38 | Very low | 27 Ų | 27 | 80.1 Ų | 80.1 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | trans | -105 | 12 | 179.4 | -165.3 | 0 | 0 | 0 | 0 | 112.8 | F41 K171 | F41-C43 HydrophobicContact CD1-CB 3.58Å; F41-C43 HydrophobicContact CE1-CB 4.16Å; F41-C43 PolarHBondContact O-N 2.8Å; C43-K171 HydrophobicContact CB-CD 4.46Å; C43-K171 VanDerWaalsContact SG-CD 3.57Å; C43-K171 PolarHBondContact SG-NZ 3.21Å | ||
| 44 | C | 38.9 | Very low | 38.3 | Very low | 65 Ų | 65 | 81.8 Ų | 81.8 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | trans | -144.1 | 33.8 | -175.3 | -120 | 0 | 0 | 0 | 0 | 114.6 | K46 | C44-K46 VanDerWaalsContact C-N 3.29Š| ||
| 45 | L | 41.9 | Very low | 38.7 | Very low | 37 Ų | 37 | 85.6 Ų | 85.6 | 19% | 0.194 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -76.7 | -16.4 | 169.2 | -116.7 | 87 | 0 | 0 | 0 | 113.7 | L42 C47 I81 A95 | L42-L45 HydrophobicContact CD1-CD1 3.77Å; L42-L45 HydrophobicContact CD2-CD1 4.23Å; L42-L45 HydrophobicContact CG-CD1 3.96Å; L45-C47 PolarHBondContact O-N 3.14Å; L45-I81 HydrophobicContact CD1-CD1 3.71Å; L45-I81 HydrophobicContact CD1-CG1 4.5Å; L45-I81 HydrophobicContact CD2-CD1 3.95Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; L45-A95 HydrophobicContact CD1-CB 4.18Å; L45-A95 HydrophobicContact CD2-CB 3.53Å; L45-A95 HydrophobicContact CG-CB 4.45Å |
| 46 | K | 41.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 91.7 Ų | 91.7 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -71.4 | -12.2 | 173.5 | -67.6 | -170 | -179 | -170.7 | 0 | 114 | C44 S212 | C44-K46 VanDerWaalsContact C-N 3.29Å; K46-S212 PolarHBondContact NZ-O 3.43Å |
| 47 | C | 35.8 | Very low | 38.7 | Very low | 69 Ų | 69 | 99.1 Ų | 99.1 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -92.1 | -9.1 | -178.4 | -144.6 | 0 | 0 | 0 | 0 | 114.1 | L45 | L45-C47 PolarHBondContact O-N 3.14Š|
| 48 | L | 41.5 | Very low | 39.1 | Very low | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | trans | -122.5 | 30.8 | -173.6 | -117.8 | 96.4 | 0 | 0 | 0 | 114.6 | K50 L84 | L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.1Å; L48-L84 HydrophobicContact CD2-CB 4.28Å; L48-L84 HydrophobicContact CD2-CD1 4.18Å; L48-L84 HydrophobicContact CD2-CD2 3.72Å; L48-L84 HydrophobicContact CD2-CG 4.28Å | ||
| 49 | Q | 39.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | trans | -76.9 | 81.7 | 167.9 | -75.4 | -172.5 | -19.7 | 0 | 0 | 110.8 | D97 | Q49-D97 PolarHBondContact NE2-O 3.09Š| ||
| 50 | K | 35.8 | Very low | 38.6 | Very low | 199 Ų | 199 | 111.7 Ų | 111.7 | 87% | 0.865 | 60% | 0.599 | S | S | * | * | trans | -162.8 | 49 | 153.4 | -124.7 | 173.7 | -166.3 | 176.5 | 0 | 114.4 | L48 | L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.1Å | ||
| 51 | L | 35.3 | Very low | 39.2 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 73% | 0.728 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -133.4 | 141.8 | 164.7 | -75.9 | 168.3 | 0 | 0 | 0 | 112.1 | ||
| 52 | S | 35.5 | Very low | 40.9 | Very low | 116 Ų | 116 | 112.6 Ų | 112.6 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | trans | -63.5 | 139.9 | -152.2 | 179.1 | 0 | 0 | 0 | 0 | 115.3 | S54 | S52-S54 PolarHBondContact O-N 3.1Š| ||
| 53 | S | 34.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -81.1 | 111.1 | 170.9 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 54 | S | 33.6 | Very low | 45.7 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | trans | -101.9 | 110.7 | 163.6 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | S52 M56 | S52-S54 PolarHBondContact O-N 3.1Å; S54-M56 PolarHBondContact O-N 3.1Å | ||
| 55 | R | 35.5 | Very low | 48.3 | Very low | 219 Ų | 219 | 114.7 Ų | 114.7 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | -70.1 | 105.6 | 179.6 | -162.5 | 178.2 | -152.6 | -175.5 | 7.2 | 110.5 | ||||
| 56 | M | 32.6 | Very low | 50.7 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | trans | -92.8 | 123.6 | 163.5 | -76.6 | -150.5 | -66 | 0 | 0 | 110.6 | S54 H76 | S54-M56 PolarHBondContact O-N 3.1Å; M56-H76 PolarHBondContact O-CE1 3.03Å; M56-H76 VanDerWaalsContact O-CE1 3.31Å | ||
| 57 | K | 33.9 | Very low | 53 | Low | 192 Ų | 192 | 113 Ų | 113 | 84% | 0.835 | 64% | 0.637 | S | S | * | * | trans | -79.4 | 148.7 | -179.3 | -66.5 | 176.8 | 178.2 | 176.4 | 0 | 111 | ||||
| 58 | N | 42.6 | Very low | 55.6 | Low | 172 Ų | 172 | 111 Ų | 111 | 92% | 0.92 | 63% | 0.629 | S | S | * | * | trans | -18.6 | 120.6 | 172.7 | -83.3 | -8.4 | 0 | 0 | 0 | 116.9 | ||||
| 59 | A | 33.8 | Very low | 58.1 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | trans | -149.4 | 137.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V61 | A59-V61 HydrophobicContact CB-CG2 4.1Å; A59-V61 PolarHBondContact O-N 3.25Å | ||
| 60 | T | 46.9 | Very low | 60.7 | Low | 161 Ų | 161 | 100.8 Ų | 100.8 | 99% | 0.988 | 58% | 0.58 | S | S | * | * | trans | -66.8 | 52.2 | 169.8 | 26.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 61 | V | 58.3 | Low | 63.6 | Low | 120 Ų | 120 | 92 Ų | 92 | 73% | 0.727 | 54% | 0.543 | S | S | * | . | trans | -119 | 119.5 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 106 | A59 | A59-V61 HydrophobicContact CB-CG2 4.1Å; A59-V61 PolarHBondContact O-N 3.25Å | ||
| 62 | G | 78.8 | Confident | 66.4 | Low | 22 Ų | 22 | 85.3 Ų | 85.3 | 23% | 0.227 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A72 | G62-A72 CarbonylContact C-O 3.57Å; G62-A72 WeakPolarHBondContact CA-O 3.07Å |
| 63 | R | 91.3 | Very high | 69.2 | Low | 81 Ų | 81 | 83.3 Ų | 83.3 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 129.8 | 175.2 | -173.5 | 174.7 | -179.5 | 154.9 | -2.7 | 108.2 | S71 A72 I74 A78 D80 F94 | R63-S71 WeakPolarHBondContact O-CA 3.5Å; R63-A72 PolarHBondContact N-O 3.34Å; R63-A72 PolarHBondContact O-N 3.22Å; R63-I74 HydrophobicContact CB-CB 4.39Å; R63-I74 HydrophobicContact CB-CG1 3.95Å; R63-I74 HydrophobicContact CG-CG1 4.48Å; R63-A78 PolarHBondContact NH1-O 3.04Å; R63-A78 VanDerWaalsContact NH1-O 3.09Å; R63-D80 IonicContact CZ-OD2 3.72Å; R63-D80 VanDerWaalsContact NH2-CB 3.34Å; R63-D80 IonicContact NH2-OD2 3.07Å; R63-D80 PolarHBondContact NH2-OD2 2.99Å; R63-F94 VanDerWaalsContact CZ-CE1 3.49Å |
| 64 | P | 92.9 | Very high | 71.8 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.7 | 175.2 | 27.3 | -33.7 | 0 | 0 | 0 | 110.3 | L70 | P64-L70 CarbonylContact C-O 3.52Å; P64-L70 WeakPolarHBondContact CA-O 3.26Å |
| 65 | L | 92.6 | Very high | 74.4 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.3 | 176.1 | -57.7 | 176.3 | 0 | 0 | 0 | 108 | G67 G68 A69 L70 A72 E92 F94 V105 L239 | L65-G67 PolarHBondContact O-N 2.84Å; L65-G68 CarbonylContact O-C 3.57Å; L65-G68 PolarHBondContact O-N 3.04Å; L65-A69 PolarHBondContact O-N 2.7Å; L65-L70 HydrophobicContact CB-CB 4.09Å; L65-L70 PolarHBondContact N-O 3.17Å; L65-L70 PolarHBondContact O-N 3.07Å; L65-L70 VanDerWaalsContact O-N 3.14Å; L65-A72 HydrophobicContact CD1-CB 4.05Å; L65-E92 HydrophobicContact CB-CG 4.33Å; L65-E92 HydrophobicContact CD2-CB 4.34Å; L65-E92 HydrophobicContact CD2-CG 4.22Å; L65-F94 HydrophobicContact CD2-CE2 3.73Å; L65-F94 HydrophobicContact CD2-CZ 3.53Å; L65-V105 HydrophobicContact CD1-CG1 4.4Å; L65-V105 HydrophobicContact CD1-CG2 4.21Å; L65-L239 HydrophobicContact CD1-CD1 4.14Å |
| 66 | F | 92.4 | Very high | 76.5 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | 53.4 | 54.8 | 178.4 | -52.5 | -75.5 | 0 | 0 | 0 | 112.3 | G68 A69 L70 D89 E92 V105 L107 V246 | F66-G68 PolarHBondContact O-N 3.49Å; F66-G68 VanDerWaalsContact O-N 3.12Å; F66-A69 HydrophobicContact CB-CB 4.48Å; F66-A69 WeakPolarHBondContact O-CB 3.47Å; F66-A69 PolarHBondContact O-N 3.25Å; F66-L70 HydrophobicContact CD2-CB 4.38Å; F66-L70 HydrophobicContact CD2-CD1 3.82Å; F66-D89 WeakPolarHBondContact CD1-O 3.47Å; F66-E92 WeakPolarHBondContact CA-OE1 3.31Å; F66-E92 HydrophobicContact CD1-CG 4.11Å; F66-E92 HydrophobicContact CD2-CG 4.32Å; F66-E92 HydrophobicContact CE1-CG 3.77Å; F66-E92 HydrophobicContact CE2-CG 4.02Å; F66-E92 HydrophobicContact CG-CG 4.37Å; F66-E92 HydrophobicContact CZ-CB 4.48Å; F66-E92 HydrophobicContact CZ-CG 3.73Å; F66-E92 PolarHBondContact N-OE1 2.92Å; F66-V105 HydrophobicContact CE2-CG1 3.92Å; F66-V105 HydrophobicContact CZ-CG1 4.19Å; F66-L107 HydrophobicContact CD1-CD1 4.14Å; F66-L107 HydrophobicContact CD2-CD1 4.32Å; F66-L107 HydrophobicContact CE1-CD1 4.09Å; F66-L107 HydrophobicContact CE1-CG 3.97Å; F66-L107 HydrophobicContact CE2-CD1 4.26Å; F66-L107 HydrophobicContact CE2-CD2 3.9Å; F66-L107 HydrophobicContact CE2-CG 3.99Å; F66-L107 HydrophobicContact CG-CD1 4.26Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD2 4.02Å; F66-L107 HydrophobicContact CZ-CG 3.68Å; F66-V246 HydrophobicContact CB-CG2 3.81Å; F66-V246 HydrophobicContact CG-CG2 4.34Å |
| 67 | G | 89.3 | Confident | 78.9 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 95% | 0.948 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | 66.5 | 13.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L65 | L65-G67 PolarHBondContact O-N 2.84Š|
| 68 | G | 92.1 | Very high | 81.3 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 98.6 | 0.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L65 F66 L70 | L65-G68 CarbonylContact O-C 3.57Å; L65-G68 PolarHBondContact O-N 3.04Å; F66-G68 PolarHBondContact O-N 3.49Å; F66-G68 VanDerWaalsContact O-N 3.12Å; G68-L70 PolarHBondContact O-N 3.18Å |
| 69 | A | 93.4 | Very high | 83.3 | Confident | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 F66 H242 D243 V246 | L65-A69 PolarHBondContact O-N 2.7Å; F66-A69 HydrophobicContact CB-CB 4.48Å; F66-A69 WeakPolarHBondContact O-CB 3.47Å; F66-A69 PolarHBondContact O-N 3.25Å; A69-H242 PolarHBondContact O-N 3.25Å; A69-D243 HydrophobicContact CB-CB 3.94Å; A69-D243 PolarHBondContact O-N 3.41Å; A69-D243 VanDerWaalsContact O-N 3.09Å; A69-V246 HydrophobicContact CB-CB 3.53Å; A69-V246 HydrophobicContact CB-CG1 3.97Å; A69-V246 HydrophobicContact CB-CG2 3.81Å |
| 70 | L | 94.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 162.9 | 168.4 | -72.1 | 93.4 | 0 | 0 | 0 | 110.7 | P64 L65 F66 G68 L239 R240 L241 V246 | P64-L70 CarbonylContact C-O 3.52Å; P64-L70 WeakPolarHBondContact CA-O 3.26Å; L65-L70 HydrophobicContact CB-CB 4.09Å; L65-L70 PolarHBondContact N-O 3.17Å; L65-L70 PolarHBondContact O-N 3.07Å; L65-L70 VanDerWaalsContact O-N 3.14Å; F66-L70 HydrophobicContact CD2-CB 4.38Å; F66-L70 HydrophobicContact CD2-CD1 3.82Å; G68-L70 PolarHBondContact O-N 3.18Å; L70-L239 HydrophobicContact CD2-CD1 3.95Å; L70-L239 HydrophobicContact CD2-CG 4.36Å; L70-R240 CarbonylContact C-O 3.6Å; L70-R240 VanDerWaalsContact CA-O 3.22Å; L70-R240 WeakPolarHBondContact CA-O 3.38Å; L70-L241 HydrophobicContact CD1-CD1 4.06Å; L70-L241 HydrophobicContact CG-CD1 4.02Å; L70-V246 HydrophobicContact CD1-CG1 3.86Å; L70-V246 HydrophobicContact CD1-CG2 4.39Å |
| 71 | S | 95.4 | Very high | 87.5 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149.2 | 166.8 | 72 | 0 | 0 | 0 | 0 | 111.6 | R63 L239 R240 H242 | R63-S71 WeakPolarHBondContact O-CA 3.5Å; S71-L239 CarbonylContact O-C 3.5Å; S71-L239 WeakPolarHBondContact O-CA 3.31Å; S71-R240 PolarHBondContact N-O 3.44Å; S71-R240 PolarHBondContact O-N 2.85Å; S71-H242 WeakPolarHBondContact CB-NE2 3.3Å; S71-H242 PolarHBondContact OG-NE2 2.92Å |
| 72 | A | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 160.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | G62 R63 L65 I74 L235 L239 | G62-A72 CarbonylContact C-O 3.57Å; G62-A72 WeakPolarHBondContact CA-O 3.07Å; R63-A72 PolarHBondContact N-O 3.34Å; R63-A72 PolarHBondContact O-N 3.22Å; L65-A72 HydrophobicContact CD1-CB 4.05Å; A72-I74 HydrophobicContact CB-CD1 4.11Å; A72-I74 PolarHBondContact O-N 2.84Å; A72-I74 VanDerWaalsContact O-N 3.17Å; A72-L235 HydrophobicContact CB-CD2 4.29Å; A72-L235 HydrophobicContact CB-CG 4.18Å; A72-L239 HydrophobicContact CB-CB 4.46Å; A72-L239 HydrophobicContact CB-CD1 3.94Å |
| 73 | T | 94.1 | Very high | 88.1 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | trans | -79.1 | 97.6 | 170.9 | -53 | 0 | 0 | 0 | 0 | 108.9 | L235 S238 | T73-L235 WeakPolarHBondContact O-CA 3.22Å; T73-L235 WeakPolarHBondContact O-CB 3.37Å; T73-S238 WeakPolarHBondContact CB-OG 3.44Å; T73-S238 PolarHBondContact N-OG 2.65Å; T73-S238 VanDerWaalsContact OG1-CB 3.26Å; T73-S238 WeakPolarHBondContact OG1-CB 3.4Å; T73-S238 PolarHBondContact OG1-OG 3.43Å | ||
| 74 | I | 89.3 | Confident | 87.2 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -89.3 | 141.3 | 174.6 | -52.4 | -56.8 | 0 | 0 | 0 | 108.9 | R63 A72 A78 F94 L235 | R63-I74 HydrophobicContact CB-CB 4.39Å; R63-I74 HydrophobicContact CB-CG1 3.95Å; R63-I74 HydrophobicContact CG-CG1 4.48Å; A72-I74 HydrophobicContact CB-CD1 4.11Å; A72-I74 PolarHBondContact O-N 2.84Å; A72-I74 VanDerWaalsContact O-N 3.17Å; I74-A78 HydrophobicContact CG2-CB 3.46Å; I74-A78 VanDerWaalsContact CG2-CB 3.46Å; I74-F94 HydrophobicContact CD1-CD2 4.35Å; I74-F94 HydrophobicContact CD1-CE2 4.08Å; I74-F94 HydrophobicContact CG1-CE2 4.26Å; I74-F94 HydrophobicContact CG1-CZ 4.37Å; I74-F94 HydrophobicContact CG2-CD1 4.25Å; I74-F94 HydrophobicContact CG2-CD2 4.29Å; I74-F94 HydrophobicContact CG2-CG 4.1Å; I74-L235 HydrophobicContact CD1-CD1 3.37Å; I74-L235 HydrophobicContact CD1-CG 3.81Å | ||
| 75 | P | 87.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | trans | -52.4 | 141.3 | 174.5 | -27.5 | 35.6 | 0 | 0 | 0 | 112.7 | S77 A78 I103 W227 D231 | P75-S77 VanDerWaalsContact C-N 3.27Å; P75-S77 PolarHBondContact O-N 2.88Å; P75-A78 WeakPolarHBondContact O-CB 3.16Å; P75-A78 PolarHBondContact O-N 3.2Å; P75-I103 HydrophobicContact CG-CD1 4.04Å; P75-W227 VanDerWaalsContact CB-CD1 3.48Å; P75-W227 HydrophobicContact CB-CD2 4.07Å; P75-W227 HydrophobicContact CB-CG 4.01Å; P75-W227 HydrophobicContact CB-CZ2 4.28Å; P75-W227 HydrophobicContact CG-CD2 3.94Å; P75-W227 HydrophobicContact CG-CG 3.9Å; P75-D231 HydrophobicContact CG-CB 4.2Å | ||
| 76 | H | 79.7 | Confident | 85.4 | Confident | 161 Ų | 161 | 54 Ų | 54 | 75% | 0.745 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.4 | -173 | -173.4 | 64.8 | 0 | 0 | 0 | 113.7 | M56 A78 | M56-H76 PolarHBondContact O-CE1 3.03Å; M56-H76 VanDerWaalsContact O-CE1 3.31Å; H76-A78 PolarHBondContact O-N 3.44Å |
| 77 | S | 82.2 | Confident | 84.8 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.9 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | P75 K79 W227 | P75-S77 VanDerWaalsContact C-N 3.27Å; P75-S77 PolarHBondContact O-N 2.88Å; S77-K79 PolarHBondContact O-N 2.91Å; S77-W227 PolarHBondContact OG-NE1 3.49Å |
| 78 | A | 84.9 | Confident | 84.6 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 115.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R63 I74 P75 H76 F94 W227 | R63-A78 PolarHBondContact NH1-O 3.04Å; R63-A78 VanDerWaalsContact NH1-O 3.09Å; I74-A78 HydrophobicContact CG2-CB 3.46Å; I74-A78 VanDerWaalsContact CG2-CB 3.46Å; P75-A78 WeakPolarHBondContact O-CB 3.16Å; P75-A78 PolarHBondContact O-N 3.2Å; H76-A78 PolarHBondContact O-N 3.44Å; A78-F94 HydrophobicContact CB-CB 4.14Å; A78-W227 HydrophobicContact CB-CH2 3.67Å; A78-W227 HydrophobicContact CB-CZ2 3.48Å; A78-W227 VanDerWaalsContact CB-CZ2 3.48Å |
| 79 | K | 85.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.5 | 171.6 | -75.1 | -162.3 | -175.9 | 135.1 | 0 | 111.5 | S77 F94 A95 D97 | S77-K79 PolarHBondContact O-N 2.91Å; K79-F94 CarbonylContact O-C 3.52Å; K79-F94 VanDerWaalsContact O-CA 3.25Å; K79-F94 WeakPolarHBondContact O-CA 3.35Å; K79-A95 PolarHBondContact N-O 3.39Å; K79-A95 PolarHBondContact O-N 3.32Å; K79-D97 WeakPolarHBondContact CD-OD1 3.33Å; K79-D97 VanDerWaalsContact CE-CG 3.41Å; K79-D97 WeakPolarHBondContact CE-OD1 3.43Å; K79-D97 WeakPolarHBondContact CE-OD2 3.09Å; K79-D97 WeakPolarHBondContact CG-OD1 3.34Å; K79-D97 IonicContact NZ-OD1 3.89Å; K79-D97 PolarHBondContact NZ-OD1 2.84Å; K79-D97 IonicContact NZ-OD2 3.92Å; K79-D97 PolarHBondContact NZ-OD2 3Å |
| 80 | D | 85.8 | Confident | 84.1 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129 | 170.5 | -143.6 | -54.1 | 0 | 0 | 0 | 109.9 | R63 S82 E83 | R63-D80 IonicContact CZ-OD2 3.72Å; R63-D80 VanDerWaalsContact NH2-CB 3.34Å; R63-D80 IonicContact NH2-OD2 3.07Å; R63-D80 PolarHBondContact NH2-OD2 2.99Å; D80-S82 VanDerWaalsContact CG-OG 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.42Å; D80-S82 PolarHBondContact OD1-N 3.15Å; D80-S82 VanDerWaalsContact OD1-N 3.13Å; D80-S82 PolarHBondContact OD1-OG 3.39Å; D80-E83 HydrophobicContact CB-CG 4.48Å |
| 81 | I | 82.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -90.2 | -13.4 | 178.5 | -57.8 | -51.6 | 0 | 0 | 0 | 111.8 | L45 E83 L84 R85 V93 A95 | L45-I81 HydrophobicContact CD1-CD1 3.71Å; L45-I81 HydrophobicContact CD1-CG1 4.5Å; L45-I81 HydrophobicContact CD2-CD1 3.95Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; I81-E83 PolarHBondContact O-N 2.96Å; I81-L84 HydrophobicContact CD1-CD1 4.12Å; I81-L84 PolarHBondContact O-N 3.36Å; I81-R85 HydrophobicContact CG2-CG 3.87Å; I81-R85 PolarHBondContact O-N 2.62Å; I81-R85 VanDerWaalsContact O-N 3.14Å; I81-V93 HydrophobicContact CB-CB 4.18Å; I81-V93 HydrophobicContact CB-CG1 4.04Å; I81-V93 WeakPolarHBondContact CB-O 3.36Å; I81-V93 HydrophobicContact CG1-CG1 4Å; I81-V93 PolarHBondContact N-O 3.25Å; I81-A95 HydrophobicContact CD1-CB 3.68Å; I81-A95 HydrophobicContact CG1-CB 3.88Å |
| 82 | S | 75.9 | Confident | 83.6 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.1 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | D80 L84 R85 | D80-S82 VanDerWaalsContact CG-OG 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.42Å; D80-S82 PolarHBondContact OD1-N 3.15Å; D80-S82 VanDerWaalsContact OD1-N 3.13Å; D80-S82 PolarHBondContact OD1-OG 3.39Å; S82-L84 PolarHBondContact O-N 3.23Å; S82-R85 CarbonylContact C-O 3.22Å; S82-R85 WeakPolarHBondContact CA-O 3.38Å; S82-R85 VanDerWaalsContact O-O 3.12Å |
| 83 | E | 74.3 | Confident | 83.4 | Confident | 159 Ų | 159 | 60.5 Ų | 60.5 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.2 | 175 | -63.5 | -176.5 | -174.4 | 0 | 0 | 113.1 | D80 I81 | D80-E83 HydrophobicContact CB-CG 4.48Å; I81-E83 PolarHBondContact O-N 2.96Å |
| 84 | L | 71 | Confident | 83.2 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -27.7 | -173.7 | -56.7 | -172.6 | 0 | 0 | 0 | 112.7 | L48 I81 S82 | L48-L84 HydrophobicContact CD2-CB 4.28Å; L48-L84 HydrophobicContact CD2-CD1 4.18Å; L48-L84 HydrophobicContact CD2-CD2 3.72Å; L48-L84 HydrophobicContact CD2-CG 4.28Å; I81-L84 HydrophobicContact CD1-CD1 4.12Å; I81-L84 PolarHBondContact O-N 3.36Å; S82-L84 PolarHBondContact O-N 3.23Å |
| 85 | R | 74.2 | Confident | 83.2 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -155.3 | 153.4 | -178.2 | 67.3 | -175.2 | -171.7 | -175.4 | 1.3 | 110.5 | V39 I81 S82 I87 | V39-R85 VanDerWaalsContact CG1-NH1 3.3Å; I81-R85 HydrophobicContact CG2-CG 3.87Å; I81-R85 PolarHBondContact O-N 2.62Å; I81-R85 VanDerWaalsContact O-N 3.14Å; S82-R85 CarbonylContact C-O 3.22Å; S82-R85 WeakPolarHBondContact CA-O 3.38Å; S82-R85 VanDerWaalsContact O-O 3.12Å; R85-I87 HydrophobicContact CG-CG2 4.04Å; R85-I87 PolarHBondContact O-N 3.13Å |
| 86 | E | 73.3 | Confident | 83 | Confident | 195 Ų | 195 | 55.6 Ų | 55.6 | 91% | 0.911 | 28% | 0.278 | S | S | * | . | trans | -62.8 | 126.6 | 166.5 | -65.1 | -178.6 | 171.1 | 0 | 0 | 109.4 | ||||
| 87 | I | 80.1 | Confident | 82.7 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | trans | -115.5 | 152.2 | 171 | 61 | 178 | 0 | 0 | 0 | 108.2 | R85 Q91 V93 | R85-I87 HydrophobicContact CG-CG2 4.04Å; R85-I87 PolarHBondContact O-N 3.13Å; I87-Q91 VanDerWaalsContact CD1-O 3.22Å; I87-Q91 WeakPolarHBondContact CD1-O 3.4Å; I87-V93 HydrophobicContact CD1-CB 4.46Å; I87-V93 HydrophobicContact CD1-CG2 4.35Å; I87-V93 HydrophobicContact CG2-CG2 4.31Å | ||
| 88 | P | 84.9 | Confident | 82.2 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | trans | -55.6 | 142 | 174.7 | -25.4 | 35.7 | 0 | 0 | 0 | 111.8 | N90 Q91 | P88-N90 WeakPolarHBondContact CB-OD1 3.45Å; P88-N90 PolarHBondContact O-N 2.87Å; P88-Q91 HydrophobicContact CB-CB 4.47Å; P88-Q91 HydrophobicContact CB-CG 4.4Å; P88-Q91 PolarHBondContact O-N 2.93Å | ||
| 89 | D | 86.1 | Confident | 81.5 | Confident | 159 Ų | 159 | 54.6 Ų | 54.6 | 85% | 0.85 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.2 | -178.2 | -60.2 | -26.8 | 0 | 0 | 0 | 113.3 | F66 Q91 | F66-D89 WeakPolarHBondContact CD1-O 3.47Å; D89-Q91 VanDerWaalsContact C-N 3.28Å |
| 90 | N | 89.5 | Confident | 81.1 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.8 | 176.5 | 77 | -49.7 | 0 | 0 | 0 | 113.3 | P88 E106 L107 | P88-N90 WeakPolarHBondContact CB-OD1 3.45Å; P88-N90 PolarHBondContact O-N 2.87Å; N90-E106 CarbonylContact O-C 3.48Å; N90-E106 WeakPolarHBondContact O-CA 3.3Å; N90-L107 HydrophobicContact CB-CB 4.37Å; N90-L107 PolarHBondContact ND2-O 3.31Å; N90-L107 PolarHBondContact O-N 2.69Å |
| 91 | Q | 90.2 | Very high | 81.1 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.6 | -179.8 | -70.6 | 175.4 | 14.5 | 0 | 0 | 112.1 | L37 I87 P88 D89 V105 E106 | L37-Q91 PolarHBondContact O-NE2 3.22Å; I87-Q91 VanDerWaalsContact CD1-O 3.22Å; I87-Q91 WeakPolarHBondContact CD1-O 3.4Å; P88-Q91 HydrophobicContact CB-CB 4.47Å; P88-Q91 HydrophobicContact CB-CG 4.4Å; P88-Q91 PolarHBondContact O-N 2.93Å; D89-Q91 VanDerWaalsContact C-N 3.28Å; Q91-V105 CarbonylContact C-O 3.59Å; Q91-V105 WeakPolarHBondContact CA-O 3.49Å; Q91-E106 HydrophobicContact CG-CB 4.14Å; Q91-E106 HydrophobicContact CG-CG 3.75Å; Q91-E106 PolarHBondContact NE2-OE1 2.98Å |
| 92 | E | 90.3 | Very high | 81.4 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.2 | 166.4 | -64.6 | -74.2 | -170.7 | 0 | 0 | 107.9 | L65 F66 F94 I104 V105 | L65-E92 HydrophobicContact CB-CG 4.33Å; L65-E92 HydrophobicContact CD2-CB 4.34Å; L65-E92 HydrophobicContact CD2-CG 4.22Å; F66-E92 WeakPolarHBondContact CA-OE1 3.31Å; F66-E92 HydrophobicContact CD1-CG 4.11Å; F66-E92 HydrophobicContact CD2-CG 4.32Å; F66-E92 HydrophobicContact CE1-CG 3.77Å; F66-E92 HydrophobicContact CE2-CG 4.02Å; F66-E92 HydrophobicContact CG-CG 4.37Å; F66-E92 HydrophobicContact CZ-CB 4.48Å; F66-E92 HydrophobicContact CZ-CG 3.73Å; F66-E92 PolarHBondContact N-OE1 2.92Å; E92-F94 HydrophobicContact CB-CE2 4.02Å; E92-F94 HydrophobicContact CB-CZ 4.27Å; E92-I104 CarbonylContact O-C 3.57Å; E92-I104 WeakPolarHBondContact O-CA 3.32Å; E92-V105 HydrophobicContact CB-CB 4.23Å; E92-V105 PolarHBondContact N-O 2.97Å; E92-V105 PolarHBondContact O-N 2.93Å |
| 93 | V | 90.5 | Very high | 82.2 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.9 | -173.3 | -178 | 0 | 0 | 0 | 0 | 110.2 | I81 I87 I104 | I81-V93 HydrophobicContact CB-CB 4.18Å; I81-V93 HydrophobicContact CB-CG1 4.04Å; I81-V93 WeakPolarHBondContact CB-O 3.36Å; I81-V93 HydrophobicContact CG1-CG1 4Å; I81-V93 PolarHBondContact N-O 3.25Å; I87-V93 HydrophobicContact CD1-CB 4.46Å; I87-V93 HydrophobicContact CD1-CG2 4.35Å; I87-V93 HydrophobicContact CG2-CG2 4.31Å; V93-I104 HydrophobicContact CG1-CG1 4.28Å; V93-I104 HydrophobicContact CG2-CG1 4.39Å; V93-I104 HydrophobicContact CG2-CG2 4.28Å |
| 94 | F | 90.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.2 | 175.6 | -56.3 | -72.4 | 0 | 0 | 0 | 110.9 | R63 L65 I74 A78 K79 E92 S102 I103 | R63-F94 VanDerWaalsContact CZ-CE1 3.49Å; L65-F94 HydrophobicContact CD2-CE2 3.73Å; L65-F94 HydrophobicContact CD2-CZ 3.53Å; I74-F94 HydrophobicContact CD1-CD2 4.35Å; I74-F94 HydrophobicContact CD1-CE2 4.08Å; I74-F94 HydrophobicContact CG1-CE2 4.26Å; I74-F94 HydrophobicContact CG1-CZ 4.37Å; I74-F94 HydrophobicContact CG2-CD1 4.25Å; I74-F94 HydrophobicContact CG2-CD2 4.29Å; I74-F94 HydrophobicContact CG2-CG 4.1Å; A78-F94 HydrophobicContact CB-CB 4.14Å; K79-F94 CarbonylContact O-C 3.52Å; K79-F94 VanDerWaalsContact O-CA 3.25Å; K79-F94 WeakPolarHBondContact O-CA 3.35Å; E92-F94 HydrophobicContact CB-CE2 4.02Å; E92-F94 HydrophobicContact CB-CZ 4.27Å; F94-S102 CarbonylContact O-C 3.53Å; F94-S102 VanDerWaalsContact O-CA 3.23Å; F94-S102 WeakPolarHBondContact O-CA 3.43Å; F94-S102 WeakPolarHBondContact O-CB 3.32Å; F94-I103 HydrophobicContact CB-CB 4.33Å; F94-I103 HydrophobicContact CD2-CG2 4.49Å; F94-I103 PolarHBondContact N-O 3.43Å; F94-I103 PolarHBondContact O-N 3.04Å |
| 95 | A | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L42 L45 K79 I81 | L42-A95 HydrophobicContact CD2-CB 3.52Å; L45-A95 HydrophobicContact CD1-CB 4.18Å; L45-A95 HydrophobicContact CD2-CB 3.53Å; L45-A95 HydrophobicContact CG-CB 4.45Å; K79-A95 PolarHBondContact N-O 3.39Å; K79-A95 PolarHBondContact O-N 3.32Å; I81-A95 HydrophobicContact CD1-CB 3.68Å; I81-A95 HydrophobicContact CG1-CB 3.88Å |
| 96 | H | 83.2 | Confident | 85.1 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 148.4 | 169.5 | -165.7 | -58.1 | 0 | 0 | 0 | 110 | H98 N99 Q101 E225 W227 | H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact ND1-N 3.19Å; H96-H98 PolarHBondContact O-N 2.81Å; H96-N99 WeakPolarHBondContact CB-OD1 2.94Å; H96-N99 PolarHBondContact CD2-ND2 2.7Å; H96-N99 PolarHBondContact CD2-OD1 3.24Å; H96-N99 PolarHBondContact CE1-ND2 3.34Å; H96-N99 VanDerWaalsContact CG-CG 3.46Å; H96-N99 PolarHBondContact ND1-ND2 3.02Å; H96-N99 PolarHBondContact ND1-OD1 3.24Å; H96-N99 PolarHBondContact NE2-ND2 3.09Å; H96-Q101 HydrophobicContact CB-CB 4.04Å; H96-Q101 PolarHBondContact N-O 2.85Å; H96-E225 PolarHBondContact NE2-O 2.84Å; H96-W227 HydrophobicContact CB-CD2 4.47Å; H96-W227 HydrophobicContact CB-CE3 4.45Å; H96-W227 HydrophobicContact CB-CH2 3.78Å; H96-W227 HydrophobicContact CB-CZ2 3.72Å; H96-W227 HydrophobicContact CB-CZ3 4.13Å; H96-W227 AromaticContact CD2-CD1 3.78Å; H96-W227 AromaticContact CD2-CD2 3.9Å; H96-W227 AromaticContact CD2-CE2 3.46Å; H96-W227 VanDerWaalsContact CD2-CE2 3.46Å; H96-W227 AromaticContact CD2-CZ2 3.85Å; H96-W227 AromaticContact CD2-NE1 3.38Å; H96-W227 PolarHBondContact CD2-NE1 3.09Å; H96-W227 VanDerWaalsContact N-CH2 3.29Å |
| 97 | D | 74.6 | Confident | 86.1 | Confident | 41 Ų | 41 | 27.6 Ų | 27.6 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -70.4 | -18.9 | -175.2 | -79.7 | -16.4 | 0 | 0 | 0 | 116.6 | Q49 K79 | Q49-D97 PolarHBondContact NE2-O 3.09Å; K79-D97 WeakPolarHBondContact CD-OD1 3.33Å; K79-D97 VanDerWaalsContact CE-CG 3.41Å; K79-D97 WeakPolarHBondContact CE-OD1 3.43Å; K79-D97 WeakPolarHBondContact CE-OD2 3.09Å; K79-D97 WeakPolarHBondContact CG-OD1 3.34Å; K79-D97 IonicContact NZ-OD1 3.89Å; K79-D97 PolarHBondContact NZ-OD1 2.84Å; K79-D97 IonicContact NZ-OD2 3.92Å; K79-D97 PolarHBondContact NZ-OD2 3Å |
| 98 | H | 70.8 | Confident | 86.7 | Confident | 101 Ų | 101 | 27.4 Ų | 27.4 | 47% | 0.468 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -143.3 | -42.4 | -158.5 | -62.7 | -63.1 | 0 | 0 | 0 | 112.9 | H96 T224 | H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact ND1-N 3.19Å; H96-H98 PolarHBondContact O-N 2.81Å; H98-T224 PolarHBondContact CD2-OG1 2.83Å |
| 99 | N | 70.7 | Confident | 87 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.193 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -92 | 146.1 | 165.9 | 54.4 | 54.8 | 0 | 0 | 0 | 108.2 | H96 Q101 P226 | H96-N99 WeakPolarHBondContact CB-OD1 2.94Å; H96-N99 PolarHBondContact CD2-ND2 2.7Å; H96-N99 PolarHBondContact CD2-OD1 3.24Å; H96-N99 PolarHBondContact CE1-ND2 3.34Å; H96-N99 VanDerWaalsContact CG-CG 3.46Å; H96-N99 PolarHBondContact ND1-ND2 3.02Å; H96-N99 PolarHBondContact ND1-OD1 3.24Å; H96-N99 PolarHBondContact NE2-ND2 3.09Å; N99-Q101 HydrophobicContact CB-CG 4.24Å; N99-Q101 PolarHBondContact ND2-OE1 2.69Å; N99-Q101 PolarHBondContact O-N 3.08Å; N99-Q101 WeakPolarHBondContact OD1-CB 2.93Å; N99-Q101 VanDerWaalsContact OD1-CD 3.26Å; N99-Q101 WeakPolarHBondContact OD1-CG 3.18Å; N99-Q101 PolarHBondContact OD1-OE1 2.98Å; N99-P226 VanDerWaalsContact ND2-CA 3.29Å; N99-P226 WeakPolarHBondContact ND2-CA 3.5Å |
| 100 | D | 76.4 | Confident | 87.2 | Confident | 34 Ų | 34 | 26.3 Ų | 26.3 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -71.8 | 32.5 | -178.3 | -74 | -25.4 | 0 | 0 | 0 | 111.6 | P203 I206 S212 | D100-P203 HydrophobicContact CB-CG 3.86Å; D100-I206 WeakPolarHBondContact OD2-CD1 2.83Å; D100-S212 WeakPolarHBondContact OD2-CB 3.42Å; D100-S212 PolarHBondContact OD2-OG 3.08Å |
| 101 | Q | 86.2 | Confident | 87.2 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | trans | -81.2 | 147.2 | 177.8 | -66.6 | -179.9 | -35.5 | 0 | 0 | 111.6 | H96 N99 F200 N201 D202 W227 | H96-Q101 HydrophobicContact CB-CB 4.04Å; H96-Q101 PolarHBondContact N-O 2.85Å; N99-Q101 HydrophobicContact CB-CG 4.24Å; N99-Q101 PolarHBondContact ND2-OE1 2.69Å; N99-Q101 PolarHBondContact O-N 3.08Å; N99-Q101 WeakPolarHBondContact OD1-CB 2.93Å; N99-Q101 VanDerWaalsContact OD1-CD 3.26Å; N99-Q101 WeakPolarHBondContact OD1-CG 3.18Å; N99-Q101 PolarHBondContact OD1-OE1 2.98Å; Q101-F200 HydrophobicContact CB-CE2 4.05Å; Q101-F200 HydrophobicContact CG-CE2 4.18Å; Q101-N201 VanDerWaalsContact CA-O 3.31Å; Q101-N201 WeakPolarHBondContact CA-O 3.25Å; Q101-D202 PolarHBondContact NE2-OD1 3.33Å; Q101-W227 HydrophobicContact CB-CE3 4.1Å; Q101-W227 HydrophobicContact CB-CZ3 4.41Å; Q101-W227 PolarHBondContact NE2-O 3.16Å | ||
| 102 | S | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 143.6 | 177.8 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | F94 F200 N201 | F94-S102 CarbonylContact O-C 3.53Å; F94-S102 VanDerWaalsContact O-CA 3.23Å; F94-S102 WeakPolarHBondContact O-CA 3.43Å; F94-S102 WeakPolarHBondContact O-CB 3.32Å; S102-F200 WeakPolarHBondContact O-CA 3.33Å; S102-N201 PolarHBondContact N-O 2.86Å; S102-N201 PolarHBondContact O-N 3.24Å; S102-N201 WeakPolarHBondContact OG-CB 3.44Å; S102-N201 PolarHBondContact OG-ND2 3.16Å |
| 103 | I | 92.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.5 | 170.1 | -64.6 | 168.2 | 0 | 0 | 0 | 108.1 | P75 F94 V198 T199 F200 W227 L235 | P75-I103 HydrophobicContact CG-CD1 4.04Å; F94-I103 HydrophobicContact CB-CB 4.33Å; F94-I103 HydrophobicContact CD2-CG2 4.49Å; F94-I103 PolarHBondContact N-O 3.43Å; F94-I103 PolarHBondContact O-N 3.04Å; I103-V198 HydrophobicContact CG2-CG1 4.11Å; I103-T199 CarbonylContact C-O 3.53Å; I103-T199 VanDerWaalsContact CA-O 3.28Å; I103-T199 WeakPolarHBondContact CA-O 3.44Å; I103-F200 HydrophobicContact CG1-CB 4.24Å; I103-F200 HydrophobicContact CG1-CD2 3.76Å; I103-F200 HydrophobicContact CG1-CG 4.31Å; I103-W227 HydrophobicContact CB-CZ3 4.49Å; I103-W227 HydrophobicContact CD1-CD2 4.38Å; I103-W227 HydrophobicContact CD1-CE3 3.7Å; I103-W227 HydrophobicContact CD1-CZ3 3.87Å; I103-W227 HydrophobicContact CG1-CE3 3.92Å; I103-W227 HydrophobicContact CG1-CZ3 3.85Å; I103-L235 HydrophobicContact CD1-CD1 4Å; I103-L235 HydrophobicContact CG2-CD1 3.67Å |
| 104 | I | 92.6 | Very high | 86.7 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.1 | 177.8 | -57 | 171.8 | 0 | 0 | 0 | 107.5 | E92 V93 V198 T199 | E92-I104 CarbonylContact O-C 3.57Å; E92-I104 WeakPolarHBondContact O-CA 3.32Å; V93-I104 HydrophobicContact CG1-CG1 4.28Å; V93-I104 HydrophobicContact CG2-CG1 4.39Å; V93-I104 HydrophobicContact CG2-CG2 4.28Å; I104-V198 CarbonylContact O-C 3.59Å; I104-V198 VanDerWaalsContact O-CA 3.28Å; I104-V198 WeakPolarHBondContact O-CA 3.4Å; I104-T199 PolarHBondContact N-O 3.13Å; I104-T199 PolarHBondContact O-N 3.3Å |
| 105 | V | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.9 | 169.3 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | L65 F66 Q91 E92 V196 L197 V198 | L65-V105 HydrophobicContact CD1-CG1 4.4Å; L65-V105 HydrophobicContact CD1-CG2 4.21Å; F66-V105 HydrophobicContact CE2-CG1 3.92Å; F66-V105 HydrophobicContact CZ-CG1 4.19Å; Q91-V105 CarbonylContact C-O 3.59Å; Q91-V105 WeakPolarHBondContact CA-O 3.49Å; E92-V105 HydrophobicContact CB-CB 4.23Å; E92-V105 PolarHBondContact N-O 2.97Å; E92-V105 PolarHBondContact O-N 2.93Å; V105-V196 HydrophobicContact CG1-CG1 4.21Å; V105-L197 CarbonylContact C-O 3.54Å; V105-L197 WeakPolarHBondContact CA-O 3.37Å; V105-V198 HydrophobicContact CG1-CG2 4.39Å; V105-V198 HydrophobicContact CG2-CG1 4.23Å; V105-V198 HydrophobicContact CG2-CG2 4.49Å |
| 106 | E | 93.1 | Very high | 86.3 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.4 | -176.1 | -174.9 | 173.4 | -145 | 0 | 0 | 110.6 | R38 N90 Q91 L108 L197 | R38-E106 IonicContact CZ-OE2 2.63Å; R38-E106 IonicContact NE-OE1 3.26Å; R38-E106 IonicContact NE-OE2 2.83Å; R38-E106 PolarHBondContact NE-OE2 3.47Å; R38-E106 IonicContact NH2-OE2 3.96Å; R38-E106 PolarHBondContact NH2-OE2 3.41Å; N90-E106 CarbonylContact O-C 3.48Å; N90-E106 WeakPolarHBondContact O-CA 3.3Å; Q91-E106 HydrophobicContact CG-CB 4.14Å; Q91-E106 HydrophobicContact CG-CG 3.75Å; Q91-E106 PolarHBondContact NE2-OE1 2.98Å; E106-L108 HydrophobicContact CG-CD2 3.66Å; E106-L108 HydrophobicContact CG-CG 3.89Å; E106-L197 PolarHBondContact N-O 2.92Å; E106-L197 PolarHBondContact O-N 3.16Å |
| 107 | L | 93.4 | Very high | 86.4 | Confident | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.1 | 169.5 | -50.6 | -176.5 | 0 | 0 | 0 | 108.7 | F66 N90 T194 V196 V246 F247 | F66-L107 HydrophobicContact CD1-CD1 4.14Å; F66-L107 HydrophobicContact CD2-CD1 4.32Å; F66-L107 HydrophobicContact CE1-CD1 4.09Å; F66-L107 HydrophobicContact CE1-CG 3.97Å; F66-L107 HydrophobicContact CE2-CD1 4.26Å; F66-L107 HydrophobicContact CE2-CD2 3.9Å; F66-L107 HydrophobicContact CE2-CG 3.99Å; F66-L107 HydrophobicContact CG-CD1 4.26Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD2 4.02Å; F66-L107 HydrophobicContact CZ-CG 3.68Å; N90-L107 HydrophobicContact CB-CB 4.37Å; N90-L107 PolarHBondContact ND2-O 3.31Å; N90-L107 PolarHBondContact O-N 2.69Å; L107-T194 HydrophobicContact CB-CG2 4.48Å; L107-V196 HydrophobicContact CD2-CB 4.45Å; L107-V196 HydrophobicContact CD2-CG1 4.05Å; L107-V196 HydrophobicContact CD2-CG2 3.9Å; L107-V246 HydrophobicContact CD1-CG2 3.92Å; L107-F247 HydrophobicContact CD1-CE1 4.27Å; L107-F247 HydrophobicContact CD2-CE1 4.15Å |
| 108 | L | 92.5 | Very high | 87.2 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.2 | -175.4 | -65.3 | 175.9 | 0 | 0 | 0 | 111.6 | R38 E106 T194 D195 L197 | R38-L108 VanDerWaalsContact NH2-CD1 3.32Å; E106-L108 HydrophobicContact CG-CD2 3.66Å; E106-L108 HydrophobicContact CG-CG 3.89Å; L108-T194 CarbonylContact O-C 3.58Å; L108-T194 VanDerWaalsContact O-CA 3.29Å; L108-T194 WeakPolarHBondContact O-CA 3.43Å; L108-T194 WeakPolarHBondContact O-CG2 3.41Å; L108-D195 HydrophobicContact CB-CB 4.36Å; L108-D195 WeakPolarHBondContact CB-O 3.44Å; L108-D195 PolarHBondContact N-O 3.3Å; L108-D195 PolarHBondContact O-N 3.01Å; L108-L197 HydrophobicContact CD1-CB 3.77Å; L108-L197 HydrophobicContact CD1-CD2 3.68Å; L108-L197 HydrophobicContact CD1-CG 4.31Å; L108-L197 HydrophobicContact CG-CB 4.48Å |
| 109 | E | 91.4 | Very high | 88.2 | Confident | 137 Ų | 137 | 43.8 Ų | 43.8 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.7 | 169.6 | -171.5 | -179.2 | -174.1 | 0 | 0 | 111 | Q111 | E109-Q111 PolarHBondContact O-N 2.85Å; E109-Q111 PolarHBondContact O-NE2 3.23Å |
| 110 | L | 90.6 | Very high | 89.2 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | trans | -59.3 | 119.1 | 177.4 | 178.1 | 81.5 | 0 | 0 | 0 | 111.2 | S112 R188 P190 S193 D195 | L110-S112 PolarHBondContact O-N 3Å; L110-R188 HydrophobicContact CD1-CB 4.49Å; L110-P190 HydrophobicContact CD1-CG 4.41Å; L110-P190 HydrophobicContact CD2-CB 4.05Å; L110-P190 HydrophobicContact CD2-CG 4.5Å; L110-S193 VanDerWaalsContact CB-O 3.29Å; L110-S193 WeakPolarHBondContact CB-O 3.33Å; L110-S193 PolarHBondContact N-O 2.91Å; L110-D195 VanDerWaalsContact CD1-OD1 3.31Å; L110-D195 WeakPolarHBondContact CD1-OD1 3.44Å | ||
| 111 | Q | 89 | Confident | 90 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -84 | 85.4 | 174.4 | -59.6 | -54.1 | -50.8 | 0 | 0 | 110.8 | E109 H113 V114 Y122 R188 D195 | E109-Q111 PolarHBondContact O-N 2.85Å; E109-Q111 PolarHBondContact O-NE2 3.23Å; Q111-H113 PolarHBondContact O-N 3.34Å; Q111-H113 VanDerWaalsContact O-N 3.16Å; Q111-H113 PolarHBondContact OE1-CE1 2.98Å; Q111-H113 VanDerWaalsContact OE1-CE1 3.24Å; Q111-V114 HydrophobicContact CB-CG2 3.6Å; Q111-V114 VanDerWaalsContact O-CG2 3.29Å; Q111-V114 WeakPolarHBondContact O-CG2 3.38Å; Q111-V114 PolarHBondContact O-N 3.12Å; Q111-V114 VanDerWaalsContact O-O 3.12Å; Q111-Y122 HydrophobicContact CB-CE1 4.39Å; Q111-Y122 HydrophobicContact CG-CD1 4.18Å; Q111-Y122 HydrophobicContact CG-CE1 3.73Å; Q111-R188 PolarHBondContact O-NH2 3.49Å; Q111-D195 PolarHBondContact N-OD2 3.13Å | ||
| 112 | S | 85.6 | Confident | 90.3 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 66% | 0.664 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.1 | -174.3 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | L110 V114 | L110-S112 PolarHBondContact O-N 3Å; S112-V114 VanDerWaalsContact C-N 3.35Å |
| 113 | H | 87 | Confident | 90.3 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.9 | -179.5 | 68.4 | -82.2 | 0 | 0 | 0 | 114.1 | Q111 Y122 | Q111-H113 PolarHBondContact O-N 3.34Å; Q111-H113 VanDerWaalsContact O-N 3.16Å; Q111-H113 PolarHBondContact OE1-CE1 2.98Å; Q111-H113 VanDerWaalsContact OE1-CE1 3.24Å; H113-Y122 AromaticContact NE2-CE2 3.59Å; H113-Y122 AromaticContact NE2-CZ 3.96Å |
| 114 | V | 87.7 | Confident | 90.2 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -115 | 145.4 | 175 | -70.1 | 0 | 0 | 0 | 0 | 110.3 | Q111 S112 A119 Y122 R188 | Q111-V114 HydrophobicContact CB-CG2 3.6Å; Q111-V114 VanDerWaalsContact O-CG2 3.29Å; Q111-V114 WeakPolarHBondContact O-CG2 3.38Å; Q111-V114 PolarHBondContact O-N 3.12Å; Q111-V114 VanDerWaalsContact O-O 3.12Å; S112-V114 VanDerWaalsContact C-N 3.35Å; V114-A119 HydrophobicContact CB-CB 4.23Å; V114-A119 HydrophobicContact CG2-CB 3.8Å; V114-Y122 HydrophobicContact CG1-CD2 4.08Å; V114-Y122 HydrophobicContact CG1-CG 4.19Å; V114-Y122 HydrophobicContact CG2-CD1 4.45Å; V114-Y122 HydrophobicContact CG2-CG 4.24Å; V114-R188 PolarHBondContact O-NH1 3.1Å; V114-R188 PolarHBondContact O-NH2 3.02Å |
| 115 | Q | 85.6 | Confident | 90 | Very high | 132 Ų | 132 | 52.1 Ų | 52.1 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | trans | -131.1 | 154.8 | -176.4 | -64.6 | -167.7 | -13.6 | 0 | 0 | 112 | G117 D118 A119 | Q115-G117 PolarHBondContact O-N 3.5Å; Q115-D118 WeakPolarHBondContact O-CB 3.26Å; Q115-D118 PolarHBondContact O-N 2.87Å; Q115-D118 VanDerWaalsContact O-N 3.1Å; Q115-A119 PolarHBondContact O-N 2.87Å | ||
| 116 | N | 85.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | 50.5 | -136.4 | 172.6 | -57.6 | -41 | 0 | 0 | 0 | 113.3 | D118 A119 F161 | N116-D118 PolarHBondContact O-N 3.11Å; N116-A119 WeakPolarHBondContact O-CB 3.33Å; N116-A119 PolarHBondContact O-N 2.75Å; N116-A119 VanDerWaalsContact O-N 3.07Å; N116-F161 VanDerWaalsContact CA-CE2 3.44Å; N116-F161 HydrophobicContact CB-CE1 4.45Å; N116-F161 HydrophobicContact CB-CE2 4.36Å; N116-F161 HydrophobicContact CB-CZ 3.75Å; N116-F161 WeakPolarHBondContact O-CE2 3.13Å |
| 117 | G | 85.2 | Confident | 89.1 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -22 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q115 A119 A120 R121 | Q115-G117 PolarHBondContact O-N 3.5Å; G117-A119 VanDerWaalsContact C-N 3.32Å; G117-A120 PolarHBondContact O-N 3.31Å; G117-R121 PolarHBondContact O-N 3.14Å; G117-R121 VanDerWaalsContact O-N 3.16Å |
| 118 | D | 90.9 | Very high | 88.5 | Confident | 97 Ų | 97 | 52.8 Ų | 52.8 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74 | -26.6 | 176.9 | -59.9 | -32.6 | 0 | 0 | 0 | 111.8 | Q115 N116 A120 R121 Y122 | Q115-D118 WeakPolarHBondContact O-CB 3.26Å; Q115-D118 PolarHBondContact O-N 2.87Å; Q115-D118 VanDerWaalsContact O-N 3.1Å; N116-D118 PolarHBondContact O-N 3.11Å; D118-A120 VanDerWaalsContact C-N 3.33Å; D118-R121 PolarHBondContact O-N 3.06Å; D118-R121 IonicContact OD1-CZ 2.69Å; D118-R121 IonicContact OD1-NH1 3.52Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; D118-Y122 WeakPolarHBondContact O-CB 3.5Å; D118-Y122 PolarHBondContact O-N 3.36Å |
| 119 | A | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V114 Q115 N116 G117 Y122 H123 L186 | V114-A119 HydrophobicContact CB-CB 4.23Å; V114-A119 HydrophobicContact CG2-CB 3.8Å; Q115-A119 PolarHBondContact O-N 2.87Å; N116-A119 WeakPolarHBondContact O-CB 3.33Å; N116-A119 PolarHBondContact O-N 2.75Å; N116-A119 VanDerWaalsContact O-N 3.07Å; G117-A119 VanDerWaalsContact C-N 3.32Å; A119-Y122 PolarHBondContact O-N 2.96Å; A119-H123 PolarHBondContact O-CD2 2.87Å; A119-H123 PolarHBondContact O-N 3.35Å; A119-H123 VanDerWaalsContact O-N 3.08Å; A119-L186 HydrophobicContact CB-CD2 3.75Å |
| 120 | A | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G117 D118 F124 V144 F161 L163 L184 L186 | G117-A120 PolarHBondContact O-N 3.31Å; D118-A120 VanDerWaalsContact C-N 3.33Å; A120-F124 WeakPolarHBondContact O-CB 3.02Å; A120-F124 PolarHBondContact O-N 2.88Å; A120-V144 HydrophobicContact CB-CG1 4.22Å; A120-F161 HydrophobicContact CB-CB 4.01Å; A120-L163 HydrophobicContact CB-CB 4.15Å; A120-L163 HydrophobicContact CB-CD1 4.12Å; A120-L184 HydrophobicContact CB-CD2 4.45Å; A120-L186 HydrophobicContact CB-CD2 4.23Å |
| 121 | R | 93.4 | Very high | 85.7 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.6 | -68 | -176 | -179 | 96 | 6.3 | 112.2 | G117 D118 H123 F124 E125 V144 L163 | G117-R121 PolarHBondContact O-N 3.14Å; G117-R121 VanDerWaalsContact O-N 3.16Å; D118-R121 PolarHBondContact O-N 3.06Å; D118-R121 IonicContact OD1-CZ 2.69Å; D118-R121 IonicContact OD1-NH1 3.52Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; R121-H123 PolarHBondContact O-N 2.78Å; R121-F124 WeakPolarHBondContact O-CB 3.45Å; R121-F124 PolarHBondContact O-N 2.96Å; R121-E125 WeakPolarHBondContact O-CG 3.22Å; R121-E125 PolarHBondContact O-N 3.18Å; R121-V144 HydrophobicContact CG-CG2 4.23Å; R121-L163 HydrophobicContact CG-CD1 4.09Å |
| 122 | Y | 91.3 | Very high | 84.8 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.9 | -50.9 | 176.3 | 178.6 | -90.3 | 0 | 0 | 0 | 111.5 | N29 Q111 H113 V114 D118 A119 F124 E125 D126 | N29-Y122 PolarHBondContact ND2-OH 3.48Å; N29-Y122 VanDerWaalsContact ND2-OH 3.16Å; Q111-Y122 HydrophobicContact CB-CE1 4.39Å; Q111-Y122 HydrophobicContact CG-CD1 4.18Å; Q111-Y122 HydrophobicContact CG-CE1 3.73Å; H113-Y122 AromaticContact NE2-CE2 3.59Å; H113-Y122 AromaticContact NE2-CZ 3.96Å; V114-Y122 HydrophobicContact CG1-CD2 4.08Å; V114-Y122 HydrophobicContact CG1-CG 4.19Å; V114-Y122 HydrophobicContact CG2-CD1 4.45Å; V114-Y122 HydrophobicContact CG2-CG 4.24Å; D118-Y122 WeakPolarHBondContact O-CB 3.5Å; D118-Y122 PolarHBondContact O-N 3.36Å; A119-Y122 PolarHBondContact O-N 2.96Å; Y122-F124 VanDerWaalsContact C-N 3.32Å; Y122-F124 PolarHBondContact O-N 3.47Å; Y122-E125 PolarHBondContact O-N 2.92Å; Y122-D126 PolarHBondContact O-N 3.24Å |
| 123 | H | 91.2 | Very high | 83.6 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -36 | 177.5 | -74.1 | -61.8 | 0 | 0 | 0 | 112.2 | A119 R121 D126 V127 L184 D195 L197 | A119-H123 PolarHBondContact O-CD2 2.87Å; A119-H123 PolarHBondContact O-N 3.35Å; A119-H123 VanDerWaalsContact O-N 3.08Å; R121-H123 PolarHBondContact O-N 2.78Å; H123-D126 PolarHBondContact O-N 3.02Å; H123-V127 WeakPolarHBondContact O-CG2 3.19Å; H123-V127 PolarHBondContact O-N 3.46Å; H123-L184 HydrophobicContact CB-CD1 4.24Å; H123-D195 IonicContact CE1-OD2 3.58Å; H123-D195 IonicContact NE2-OD2 3.93Å; H123-D195 PolarHBondContact NE2-OD2 3.28Å; H123-D195 VanDerWaalsContact NE2-OD2 3.07Å; H123-L197 HydrophobicContact CB-CD1 3.99Å; H123-L197 HydrophobicContact CB-CD2 4.4Å |
| 124 | F | 89.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 174.5 | 179.3 | -102.2 | 0 | 0 | 0 | 113.1 | A120 R121 Y122 D126 V127 A128 S139 V141 L163 Q167 I182 L184 | A120-F124 WeakPolarHBondContact O-CB 3.02Å; A120-F124 PolarHBondContact O-N 2.88Å; R121-F124 WeakPolarHBondContact O-CB 3.45Å; R121-F124 PolarHBondContact O-N 2.96Å; Y122-F124 VanDerWaalsContact C-N 3.32Å; Y122-F124 PolarHBondContact O-N 3.47Å; F124-D126 VanDerWaalsContact C-N 3.35Å; F124-V127 PolarHBondContact O-N 3.15Å; F124-A128 PolarHBondContact O-N 2.86Å; F124-S139 WeakPolarHBondContact CE1-OG 3.28Å; F124-V141 HydrophobicContact CD1-CG2 3.47Å; F124-V141 VanDerWaalsContact CD1-CG2 3.47Å; F124-V141 HydrophobicContact CE1-CG2 3.61Å; F124-V141 HydrophobicContact CG-CG2 4.29Å; F124-L163 HydrophobicContact CB-CD1 3.85Å; F124-L163 HydrophobicContact CB-CD2 3.9Å; F124-L163 HydrophobicContact CD1-CD2 4.36Å; F124-L163 HydrophobicContact CD2-CD2 3.35Å; F124-L163 HydrophobicContact CE2-CD2 3.89Å; F124-L163 HydrophobicContact CG-CD1 4.26Å; F124-L163 HydrophobicContact CG-CD2 3.61Å; F124-Q167 HydrophobicContact CE2-CG 4.3Å; F124-Q167 HydrophobicContact CZ-CG 3.92Å; F124-Q167 PolarHBondContact O-NE2 3.26Å; F124-I182 HydrophobicContact CE2-CB 4.12Å; F124-I182 HydrophobicContact CE2-CG2 4.44Å; F124-L184 HydrophobicContact CB-CD1 4.05Å |
| 125 | E | 87.7 | Confident | 81.5 | Confident | 125 Ų | 125 | 47.4 Ų | 47.4 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 174.9 | -73.9 | 176.9 | -167.4 | 0 | 0 | 111.8 | R121 Y122 A128 G129 | R121-E125 WeakPolarHBondContact O-CG 3.22Å; R121-E125 PolarHBondContact O-N 3.18Å; Y122-E125 PolarHBondContact O-N 2.92Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 WeakPolarHBondContact O-CA 3.34Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 2.8Å; E125-A128 VanDerWaalsContact O-N 3.14Å; E125-G129 PolarHBondContact O-N 2.78Å |
| 126 | D | 86.1 | Confident | 80.6 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.4 | -170.3 | 49.4 | 0 | 0 | 0 | 111.9 | R38 Y122 H123 F124 G129 S130 | R38-D126 IonicContact CZ-OD2 3.43Å; R38-D126 VanDerWaalsContact NH1-CG 3.32Å; R38-D126 IonicContact NH1-OD2 2.87Å; R38-D126 PolarHBondContact NH1-OD2 3.47Å; R38-D126 IonicContact NH2-OD2 3.84Å; R38-D126 PolarHBondContact NH2-OD2 3.09Å; Y122-D126 PolarHBondContact O-N 3.24Å; H123-D126 PolarHBondContact O-N 3.02Å; F124-D126 VanDerWaalsContact C-N 3.35Å; D126-G129 PolarHBondContact O-N 3.48Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-OG 2.86Å; D126-S130 VanDerWaalsContact O-OG 3.09Å |
| 127 | V | 83.4 | Confident | 79.9 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 168.7 | 172 | 0 | 0 | 0 | 0 | 110.7 | H123 F124 G129 S130 N131 I182 L197 | H123-V127 WeakPolarHBondContact O-CG2 3.19Å; H123-V127 PolarHBondContact O-N 3.46Å; F124-V127 PolarHBondContact O-N 3.15Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.38Å; V127-S130 WeakPolarHBondContact O-CB 2.99Å; V127-S130 PolarHBondContact O-N 2.97Å; V127-N131 VanDerWaalsContact O-CG 3.3Å; V127-N131 PolarHBondContact O-N 2.83Å; V127-N131 VanDerWaalsContact O-N 3.13Å; V127-I182 HydrophobicContact CG1-CD1 4.14Å; V127-L197 HydrophobicContact CG2-CD2 4.43Å |
| 128 | A | 80 | Confident | 79.4 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F124 E125 N131 K132 A133 Q167 | F124-A128 PolarHBondContact O-N 2.86Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 WeakPolarHBondContact O-CA 3.34Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 2.8Å; E125-A128 VanDerWaalsContact O-N 3.14Å; A128-N131 CarbonylContact O-C 3.49Å; A128-N131 PolarHBondContact O-N 2.8Å; A128-N131 VanDerWaalsContact O-N 3.11Å; A128-K132 PolarHBondContact O-N 2.79Å; A128-A133 HydrophobicContact CB-CB 4.36Å; A128-A133 PolarHBondContact O-N 2.78Å; A128-Q167 VanDerWaalsContact CA-NE2 3.29Å; A128-Q167 VanDerWaalsContact CB-NE2 3.26Å |
| 129 | G | 75.4 | Confident | 79 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E125 D126 V127 N131 K132 S134 | E125-G129 PolarHBondContact O-N 2.78Å; D126-G129 PolarHBondContact O-N 3.48Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.38Å; G129-N131 PolarHBondContact O-N 2.86Å; G129-K132 PolarHBondContact O-N 2.94Å; G129-K132 VanDerWaalsContact O-N 3.13Å; G129-S134 WeakPolarHBondContact CA-OG 3.34Å; G129-S134 PolarHBondContact N-OG 2.79Å |
| 130 | S | 72.2 | Confident | 78.9 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 175.8 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | D126 V127 K132 | D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-OG 2.86Å; D126-S130 VanDerWaalsContact O-OG 3.09Å; V127-S130 WeakPolarHBondContact O-CB 2.99Å; V127-S130 PolarHBondContact O-N 2.97Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 2.85Å |
| 131 | N | 68.6 | Low | 78.9 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.9 | -179.7 | -66.1 | -10 | 0 | 0 | 0 | 114.4 | V40 V127 A128 G129 A133 Q167 V169 | V40-N131 WeakPolarHBondContact CB-OD1 3.39Å; V40-N131 WeakPolarHBondContact CG1-OD1 3.39Å; V127-N131 VanDerWaalsContact O-CG 3.3Å; V127-N131 PolarHBondContact O-N 2.83Å; V127-N131 VanDerWaalsContact O-N 3.13Å; A128-N131 CarbonylContact O-C 3.49Å; A128-N131 PolarHBondContact O-N 2.8Å; A128-N131 VanDerWaalsContact O-N 3.11Å; G129-N131 PolarHBondContact O-N 2.86Å; N131-A133 HydrophobicContact CB-CB 4.17Å; N131-A133 PolarHBondContact O-N 2.78Å; N131-A133 VanDerWaalsContact O-N 3.15Å; N131-Q167 PolarHBondContact ND2-OE1 3.41Å; N131-V169 HydrophobicContact CB-CG2 4.16Å |
| 132 | K | 69.1 | Low | 78.8 | Confident | 147 Ų | 147 | 55.3 Ų | 55.3 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 26.7 | -169.7 | -55.4 | 179.4 | -179.8 | 178.2 | 0 | 112.8 | A128 G129 S130 S134 | A128-K132 PolarHBondContact O-N 2.79Å; G129-K132 PolarHBondContact O-N 2.94Å; G129-K132 VanDerWaalsContact O-N 3.13Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 2.85Å; K132-S134 VanDerWaalsContact C-N 3.34Å |
| 133 | A | 62.1 | Low | 78.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -97.7 | 26.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A128 N131 T138 S139 Q167 V169 | A128-A133 HydrophobicContact CB-CB 4.36Å; A128-A133 PolarHBondContact O-N 2.78Å; N131-A133 HydrophobicContact CB-CB 4.17Å; N131-A133 PolarHBondContact O-N 2.78Å; N131-A133 VanDerWaalsContact O-N 3.15Å; A133-T138 PolarHBondContact O-OG1 2.82Å; A133-S139 WeakPolarHBondContact O-CB 3.09Å; A133-Q167 HydrophobicContact CB-CB 4.06Å; A133-Q167 HydrophobicContact CB-CG 4.41Å; A133-V169 HydrophobicContact CB-CG2 4.43Å | ||
| 134 | S | 60.7 | Low | 79.2 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 58% | 0.58 | 34% | 0.338 | S | S | * | . | trans | -88.3 | 0.6 | 179.7 | -53 | 0 | 0 | 0 | 0 | 114.9 | G129 K132 | G129-S134 WeakPolarHBondContact CA-OG 3.34Å; G129-S134 PolarHBondContact N-OG 2.79Å; K132-S134 VanDerWaalsContact C-N 3.34Å | ||
| 135 | A | 69.6 | Low | 79.4 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -69.5 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G137 T138 | A135-G137 PolarHBondContact O-N 2.79Å; A135-T138 WeakPolarHBondContact CA-OG1 3.08Å; A135-T138 HydrophobicContact CB-CG2 3.84Å; A135-T138 PolarHBondContact N-OG1 3.43Å; A135-T138 PolarHBondContact O-N 2.88Å; A135-T138 PolarHBondContact O-OG1 3.07Å |
| 136 | P | 66.6 | Low | 79.8 | Confident | 136 Ų | 136 | 57.4 Ų | 57.4 | 88% | 0.883 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 126 | 175.1 | -25.9 | 34.9 | 0 | 0 | 0 | 111 | ||
| 137 | G | 70.6 | Confident | 80.1 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 79% | 0.794 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A135 | A135-G137 PolarHBondContact O-N 2.79Š|
| 138 | T | 74.8 | Confident | 80.5 | Confident | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -99.8 | -4.7 | 173.1 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | A133 A135 Q167 C168 | A133-T138 PolarHBondContact O-OG1 2.82Å; A135-T138 WeakPolarHBondContact CA-OG1 3.08Å; A135-T138 HydrophobicContact CB-CG2 3.84Å; A135-T138 PolarHBondContact N-OG1 3.43Å; A135-T138 PolarHBondContact O-N 2.88Å; A135-T138 PolarHBondContact O-OG1 3.07Å; T138-Q167 CarbonylContact O-C 3.52Å; T138-Q167 VanDerWaalsContact O-CA 3.32Å; T138-Q167 WeakPolarHBondContact O-CA 3.49Å; T138-C168 HydrophobicContact CG2-CB 4.49Å; T138-C168 PolarHBondContact O-N 3.24Å |
| 139 | S | 82.1 | Confident | 81 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 133.1 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | F124 A133 T166 | F124-S139 WeakPolarHBondContact CE1-OG 3.28Å; A133-S139 WeakPolarHBondContact O-CB 3.09Å; S139-T166 WeakPolarHBondContact CA-O 3.44Å |
| 140 | E | 89 | Confident | 81.6 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 128 | -179.7 | -175.3 | -178.7 | -174.3 | 0 | 0 | 110.2 | G165 T166 | E140-G165 CarbonylContact O-C 3.43Å; E140-G165 WeakPolarHBondContact O-CA 3.29Å; E140-T166 PolarHBondContact N-O 2.91Å; E140-T166 PolarHBondContact O-N 3.44Å |
| 141 | V | 92.2 | Very high | 82.4 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | F124 V144 L163 | F124-V141 HydrophobicContact CD1-CG2 3.47Å; F124-V141 VanDerWaalsContact CD1-CG2 3.47Å; F124-V141 HydrophobicContact CE1-CG2 3.61Å; F124-V141 HydrophobicContact CG-CG2 4.29Å; V141-V144 HydrophobicContact CG1-CG2 3.63Å; V141-L163 HydrophobicContact CG1-CD1 3.9Å; V141-L163 HydrophobicContact CG1-CD2 4.45Å; V141-L163 HydrophobicContact CG1-CG 4Å; V141-L163 HydrophobicContact CG2-CD1 4.13Å |
| 142 | R | 92.6 | Very high | 83.6 | Confident | 148 Ų | 148 | 72.6 Ų | 72.6 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -43 | 178.9 | -66.9 | -177.7 | 172 | -172.9 | -4.2 | 112.3 | T164 T166 | R142-T164 WeakPolarHBondContact CA-O 3.29Å; R142-T164 WeakPolarHBondContact CB-O 3.29Å; R142-T164 PolarHBondContact N-O 3.19Å; R142-T166 VanDerWaalsContact CZ-CG2 3.45Å |
| 143 | A | 94.1 | Very high | 84.7 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 35% | 0.347 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 147.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L163 T164 | A143-L163 CarbonylContact O-C 3.59Å; A143-L163 WeakPolarHBondContact O-CA 3.48Å; A143-T164 PolarHBondContact N-O 2.89Å; A143-T164 PolarHBondContact O-N 2.77Å |
| 144 | V | 95.6 | Very high | 86.1 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.3 | 168.3 | -172 | 0 | 0 | 0 | 0 | 107.3 | A120 R121 V141 F161 L163 | A120-V144 HydrophobicContact CB-CG1 4.22Å; R121-V144 HydrophobicContact CG-CG2 4.23Å; V141-V144 HydrophobicContact CG1-CG2 3.63Å; V144-F161 HydrophobicContact CG1-CD1 4.33Å; V144-L163 HydrophobicContact CG2-CB 4.38Å; V144-L163 HydrophobicContact CG2-CD1 3.76Å; V144-L163 HydrophobicContact CG2-CG 3.99Å |
| 145 | V | 95.7 | Very high | 87.3 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.6 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | F161 L162 | V145-F161 CarbonylContact O-C 3.56Å; V145-F161 WeakPolarHBondContact O-CA 3.28Å; V145-L162 PolarHBondContact N-O 2.77Å; V145-L162 PolarHBondContact O-N 2.77Å |
| 146 | A | 94.9 | Very high | 88 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 51% | 0.512 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F161 | A146-F161 HydrophobicContact CB-CD1 4.07Å; A146-F161 HydrophobicContact CB-CE1 3.79Å |
| 147 | L | 93.2 | Very high | 89 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 121.9 | 174.2 | -65.5 | 174.5 | 0 | 0 | 0 | 108.9 | K149 L152 A160 L162 L236 | L147-K149 PolarHBondContact O-N 3.17Å; L147-L152 HydrophobicContact CB-CD1 4.18Å; L147-L152 HydrophobicContact CB-CD2 4.29Å; L147-L152 HydrophobicContact CD1-CD2 4.37Å; L147-A160 HydrophobicContact CB-CB 3.97Å; L147-A160 HydrophobicContact CD1-CB 4.38Å; L147-A160 PolarHBondContact N-O 2.98Å; L147-L162 HydrophobicContact CD1-CB 4.28Å; L147-L162 HydrophobicContact CD2-CB 3.94Å; L147-L162 HydrophobicContact CG-CB 4.13Å; L147-L236 HydrophobicContact CD1-CB 4.47Å; L147-L236 HydrophobicContact CD1-CD1 4.02Å |
| 148 | P | 91.9 | Very high | 90 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 132.3 | 177.3 | -21.6 | 33 | 0 | 0 | 0 | 110.5 | S150 D151 | P148-S150 PolarHBondContact O-N 3.47Å; P148-S150 VanDerWaalsContact O-N 3.15Å; P148-D151 PolarHBondContact O-N 2.77Å |
| 149 | K | 89.1 | Confident | 90.8 | Very high | 126 Ų | 126 | 64.8 Ų | 64.8 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.6 | -26 | 178.5 | -60.4 | -169.9 | -175.2 | -165 | 0 | 113 | L147 D151 L152 C157 S158 | L147-K149 PolarHBondContact O-N 3.17Å; K149-D151 PolarHBondContact O-N 2.9Å; K149-L152 PolarHBondContact O-N 2.84Å; K149-C157 WeakPolarHBondContact CE-O 3.23Å; K149-C157 PolarHBondContact NZ-O 3.36Å; K149-S158 WeakPolarHBondContact CE-O 3.47Å; K149-S158 PolarHBondContact NZ-O 2.92Å |
| 150 | S | 89.6 | Confident | 91.5 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -60.4 | -24.6 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | P148 | P148-S150 PolarHBondContact O-N 3.47Å; P148-S150 VanDerWaalsContact O-N 3.15Å |
| 151 | D | 89.3 | Confident | 91.8 | Very high | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -98.9 | -1.8 | -172.5 | -55.1 | -4.4 | 0 | 0 | 0 | 111.3 | P148 K149 Q237 | P148-D151 PolarHBondContact O-N 2.77Å; K149-D151 PolarHBondContact O-N 2.9Å; D151-Q237 VanDerWaalsContact O-CB 3.32Å; D151-Q237 WeakPolarHBondContact O-CB 3.45Å; D151-Q237 WeakPolarHBondContact O-CG 3.29Å |
| 152 | L | 92.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | trans | -109.1 | 132 | -173.3 | -58.1 | 178.9 | 0 | 0 | 0 | 111 | L147 K149 L154 A160 F187 Q237 | L147-L152 HydrophobicContact CB-CD1 4.18Å; L147-L152 HydrophobicContact CB-CD2 4.29Å; L147-L152 HydrophobicContact CD1-CD2 4.37Å; K149-L152 PolarHBondContact O-N 2.84Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-A160 HydrophobicContact CD1-CB 3.4Å; L152-F187 HydrophobicContact CD1-CD1 4.21Å; L152-F187 HydrophobicContact CD1-CE1 3.89Å; L152-F187 HydrophobicContact CD2-CE1 3.89Å; L152-F187 HydrophobicContact CG-CE1 4.39Å; L152-Q237 HydrophobicContact CD2-CG 4.49Å | ||
| 153 | S | 92.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -79.4 | -10.8 | 172.2 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | E155 Q237 L239 | S153-E155 PolarHBondContact O-N 2.8Å; S153-Q237 VanDerWaalsContact CB-O 3.31Å; S153-Q237 WeakPolarHBondContact CB-O 3.39Å; S153-Q237 PolarHBondContact N-O 2.85Å; S153-Q237 PolarHBondContact OG-O 2.87Å; S153-L239 CarbonylContact C-O 3.59Å; S153-L239 WeakPolarHBondContact CB-O 3.2Å |
| 154 | L | 90.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -83.4 | 94.7 | 179.6 | -171.6 | 69.9 | 0 | 0 | 0 | 109.6 | L152 C157 F187 L189 L239 L241 | L152-L154 VanDerWaalsContact C-N 3.27Å; L154-C157 HydrophobicContact CD2-CB 4.47Å; L154-F187 HydrophobicContact CB-CD1 4.45Å; L154-F187 HydrophobicContact CD2-CB 3.65Å; L154-F187 HydrophobicContact CD2-CD1 3.67Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CG 3.73Å; L154-L189 HydrophobicContact CD2-CD1 4.47Å; L154-L189 HydrophobicContact CD2-CD2 4.41Å; L154-L239 WeakPolarHBondContact CA-O 3.32Å; L154-L239 WeakPolarHBondContact CB-O 3.06Å; L154-L239 HydrophobicContact CD2-CD2 4.19Å; L154-L239 PolarHBondContact N-O 3.24Å; L154-L241 HydrophobicContact CD1-CB 3.62Å | ||
| 155 | E | 87.2 | Confident | 92.1 | Very high | 169 Ų | 169 | 46.6 Ų | 46.6 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 156.1 | 176.2 | -62 | -171.5 | -175.2 | 0 | 0 | 112 | S153 C157 | S153-E155 PolarHBondContact O-N 2.8Å; E155-C157 PolarHBondContact O-N 3.33Å |
| 156 | G | 83.8 | Confident | 91.8 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 55% | 0.546 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S158 Q191 | G156-S158 PolarHBondContact O-N 3.3Å; G156-Q191 PolarHBondContact O-NE2 3.23Å; G156-Q191 PolarHBondContact O-OE1 2.97Å |
| 157 | C | 87.6 | Confident | 91.2 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | trans | -66.7 | 126.1 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | K149 L154 E155 S159 R188 L189 | K149-C157 WeakPolarHBondContact CE-O 3.23Å; K149-C157 PolarHBondContact NZ-O 3.36Å; L154-C157 HydrophobicContact CD2-CB 4.47Å; E155-C157 PolarHBondContact O-N 3.33Å; C157-S159 PolarHBondContact SG-O 3.4Å; C157-R188 PolarHBondContact SG-O 3.19Å; C157-L189 HydrophobicContact CB-CD2 4.33Å | ||
| 158 | S | 91.2 | Very high | 90.3 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -71.7 | -41.6 | 176.6 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | K149 G156 R188 | K149-S158 WeakPolarHBondContact CE-O 3.47Å; K149-S158 PolarHBondContact NZ-O 2.92Å; G156-S158 PolarHBondContact O-N 3.3Å; S158-R188 PolarHBondContact N-O 2.83Å |
| 159 | S | 93 | Very high | 89.1 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 145.9 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | C157 R188 | C157-S159 PolarHBondContact SG-O 3.4Å; S159-R188 PolarHBondContact O-N 2.87Å; S159-R188 WeakPolarHBondContact OG-CD 3.43Å; S159-R188 WeakPolarHBondContact OG-CG 3.35Å |
| 160 | A | 95.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L147 L152 L186 F187 | L147-A160 HydrophobicContact CB-CB 3.97Å; L147-A160 HydrophobicContact CD1-CB 4.38Å; L147-A160 PolarHBondContact N-O 2.98Å; L152-A160 HydrophobicContact CD1-CB 3.4Å; A160-L186 CarbonylContact C-O 3.49Å; A160-L186 WeakPolarHBondContact CA-O 3.47Å; A160-F187 HydrophobicContact CB-CD1 3.8Å; A160-F187 HydrophobicContact CB-CE1 4.17Å; A160-F187 HydrophobicContact CB-CG 4.49Å |
| 161 | F | 96.6 | Very high | 85.8 | Confident | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.7 | -176.7 | -64.1 | -86.1 | 0 | 0 | 0 | 111.4 | N116 A120 V144 V145 A146 G185 L186 | N116-F161 VanDerWaalsContact CA-CE2 3.44Å; N116-F161 HydrophobicContact CB-CE1 4.45Å; N116-F161 HydrophobicContact CB-CE2 4.36Å; N116-F161 HydrophobicContact CB-CZ 3.75Å; N116-F161 WeakPolarHBondContact O-CE2 3.13Å; A120-F161 HydrophobicContact CB-CB 4.01Å; V144-F161 HydrophobicContact CG1-CD1 4.33Å; V145-F161 CarbonylContact O-C 3.56Å; V145-F161 WeakPolarHBondContact O-CA 3.28Å; A146-F161 HydrophobicContact CB-CD1 4.07Å; A146-F161 HydrophobicContact CB-CE1 3.79Å; F161-G185 CarbonylContact O-C 3.55Å; F161-G185 WeakPolarHBondContact O-CA 3.5Å; F161-L186 PolarHBondContact N-O 2.74Å; F161-L186 PolarHBondContact O-N 3.18Å |
| 162 | L | 96.8 | Very high | 83.7 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116 | 164.8 | 174.4 | 61.9 | 0 | 0 | 0 | 108.5 | V145 L147 L184 F232 Q233 L236 | V145-L162 PolarHBondContact N-O 2.77Å; V145-L162 PolarHBondContact O-N 2.77Å; L147-L162 HydrophobicContact CD1-CB 4.28Å; L147-L162 HydrophobicContact CD2-CB 3.94Å; L147-L162 HydrophobicContact CG-CB 4.13Å; L162-L184 CarbonylContact C-O 3.5Å; L162-L184 WeakPolarHBondContact CA-O 3.33Å; L162-F232 HydrophobicContact CD1-CD1 4.03Å; L162-F232 HydrophobicContact CD1-CE1 3.59Å; L162-Q233 HydrophobicContact CD2-CG 4.17Å; L162-L236 HydrophobicContact CD1-CD1 3.98Å |
| 163 | L | 96.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.4 | 170.1 | 179.8 | 153.9 | 0 | 0 | 0 | 109.4 | A120 R121 F124 V141 A143 V144 H183 L184 | A120-L163 HydrophobicContact CB-CB 4.15Å; A120-L163 HydrophobicContact CB-CD1 4.12Å; R121-L163 HydrophobicContact CG-CD1 4.09Å; F124-L163 HydrophobicContact CB-CD1 3.85Å; F124-L163 HydrophobicContact CB-CD2 3.9Å; F124-L163 HydrophobicContact CD1-CD2 4.36Å; F124-L163 HydrophobicContact CD2-CD2 3.35Å; F124-L163 HydrophobicContact CE2-CD2 3.89Å; F124-L163 HydrophobicContact CG-CD1 4.26Å; F124-L163 HydrophobicContact CG-CD2 3.61Å; V141-L163 HydrophobicContact CG1-CD1 3.9Å; V141-L163 HydrophobicContact CG1-CD2 4.45Å; V141-L163 HydrophobicContact CG1-CG 4Å; V141-L163 HydrophobicContact CG2-CD1 4.13Å; A143-L163 CarbonylContact O-C 3.59Å; A143-L163 WeakPolarHBondContact O-CA 3.48Å; V144-L163 HydrophobicContact CG2-CB 4.38Å; V144-L163 HydrophobicContact CG2-CD1 3.76Å; V144-L163 HydrophobicContact CG2-CG 3.99Å; L163-H183 CarbonylContact O-C 3.57Å; L163-H183 WeakPolarHBondContact O-CA 3.46Å; L163-L184 HydrophobicContact CB-CB 4.27Å; L163-L184 HydrophobicContact CB-CD2 4.48Å; L163-L184 HydrophobicContact CD2-CB 4.39Å; L163-L184 PolarHBondContact N-O 3.35Å; L163-L184 PolarHBondContact O-N 3.07Å |
| 164 | T | 95.2 | Very high | 79.2 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.7 | 168.1 | -62.3 | 0 | 0 | 0 | 0 | 108.4 | R142 A143 T181 H183 | R142-T164 WeakPolarHBondContact CA-O 3.29Å; R142-T164 WeakPolarHBondContact CB-O 3.29Å; R142-T164 PolarHBondContact N-O 3.19Å; A143-T164 PolarHBondContact N-O 2.89Å; A143-T164 PolarHBondContact O-N 2.77Å; T164-T181 HydrophobicContact CG2-CG2 4.08Å; T164-H183 VanDerWaalsContact CG2-CE1 3.44Å; T164-H183 WeakPolarHBondContact CG2-CE1 3.45Å; T164-H183 WeakPolarHBondContact CG2-ND1 3.31Å; T164-H183 PolarHBondContact OG1-ND1 3.41Å |
| 165 | G | 91.8 | Very high | 77 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 T181 I182 | E140-G165 CarbonylContact O-C 3.43Å; E140-G165 WeakPolarHBondContact O-CA 3.29Å; G165-T181 WeakPolarHBondContact O-CA 3.44Å; G165-I182 PolarHBondContact N-O 3.27Å; G165-I182 PolarHBondContact O-N 2.92Å |
| 166 | T | 88.1 | Confident | 75.1 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.5 | 174.1 | 42.2 | 0 | 0 | 0 | 0 | 110.3 | S139 E140 R142 T179 V180 L204 | S139-T166 WeakPolarHBondContact CA-O 3.44Å; E140-T166 PolarHBondContact N-O 2.91Å; E140-T166 PolarHBondContact O-N 3.44Å; R142-T166 VanDerWaalsContact CZ-CG2 3.45Å; T166-T179 HydrophobicContact CG2-CG2 4.38Å; T166-V180 CarbonylContact C-O 3.48Å; T166-V180 WeakPolarHBondContact CA-O 3.35Å; T166-L204 HydrophobicContact CG2-CD1 4.32Å |
| 167 | Q | 82.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.3 | 173.6 | -63.9 | -174.9 | -1 | 0 | 0 | 109.7 | F124 A128 N131 A133 T138 V169 V180 I182 | F124-Q167 HydrophobicContact CE2-CG 4.3Å; F124-Q167 HydrophobicContact CZ-CG 3.92Å; F124-Q167 PolarHBondContact O-NE2 3.26Å; A128-Q167 VanDerWaalsContact CA-NE2 3.29Å; A128-Q167 VanDerWaalsContact CB-NE2 3.26Å; N131-Q167 PolarHBondContact ND2-OE1 3.41Å; A133-Q167 HydrophobicContact CB-CB 4.06Å; A133-Q167 HydrophobicContact CB-CG 4.41Å; T138-Q167 CarbonylContact O-C 3.52Å; T138-Q167 VanDerWaalsContact O-CA 3.32Å; T138-Q167 WeakPolarHBondContact O-CA 3.49Å; Q167-V169 HydrophobicContact CB-CG2 4.33Å; Q167-V180 PolarHBondContact N-O 2.79Å; Q167-V180 PolarHBondContact O-N 2.93Å; Q167-I182 HydrophobicContact CB-CD1 4.22Å; Q167-I182 HydrophobicContact CG-CD1 3.83Å; Q167-I182 VanDerWaalsContact OE1-CD1 3.23Å |
| 168 | C | 74 | Confident | 72.9 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 105 | 172 | -69.4 | 0 | 0 | 0 | 0 | 107.9 | T138 | T138-C168 HydrophobicContact CG2-CB 4.49Å; T138-C168 PolarHBondContact O-N 3.24Å |
| 169 | V | 66.8 | Low | 72.1 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.1 | -178.6 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | F41 N131 A133 Q167 N178 | F41-V169 HydrophobicContact CE2-CG1 4.47Å; F41-V169 HydrophobicContact CZ-CG1 4.45Å; N131-V169 HydrophobicContact CB-CG2 4.16Å; A133-V169 HydrophobicContact CB-CG2 4.43Å; Q167-V169 HydrophobicContact CB-CG2 4.33Å; V169-N178 PolarHBondContact N-O 3.22Å; V169-N178 PolarHBondContact O-N 2.98Å; V169-N178 VanDerWaalsContact O-N 3.09Å |
| 170 | A | 58.6 | Low | 71.7 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 171 | K | 51.1 | Low | 71.4 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | trans | -87 | 136.2 | 170.9 | -66 | -169.2 | 172.5 | 167.8 | 0 | 108.4 | F41 C43 N173 E174 | F41-K171 HydrophobicContact CE1-CB 4.37Å; F41-K171 HydrophobicContact CE1-CD 3.74Å; F41-K171 HydrophobicContact CE1-CG 3.65Å; F41-K171 HydrophobicContact CZ-CB 4.46Å; F41-K171 HydrophobicContact CZ-CD 4.29Å; F41-K171 HydrophobicContact CZ-CG 3.73Å; C43-K171 HydrophobicContact CB-CD 4.46Å; C43-K171 VanDerWaalsContact SG-CD 3.57Å; C43-K171 PolarHBondContact SG-NZ 3.21Å; K171-N173 PolarHBondContact O-N 2.89Å; K171-E174 PolarHBondContact O-N 3.06Å | ||
| 172 | F | 45.3 | Very low | 71.1 | Confident | 135 Ų | 135 | 49.5 Ų | 49.5 | 59% | 0.592 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 50.4 | 164.4 | -66.9 | -80.6 | 0 | 0 | 0 | 117.9 | F41 E174 | F41-F172 HydrophobicContact CE1-CE2 4.37Å; F172-E174 PolarHBondContact O-N 2.8Å |
| 173 | N | 43.8 | Very low | 71.1 | Confident | 173 Ų | 173 | 49.6 Ų | 49.6 | 93% | 0.925 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.3 | 172.5 | -155 | 47.3 | 0 | 0 | 0 | 114 | K171 | K171-N173 PolarHBondContact O-N 2.89Š|
| 174 | E | 46.8 | Very low | 71 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | trans | -81.5 | 145.2 | 172.4 | -72.8 | 177.9 | 171.8 | 0 | 0 | 110.4 | K171 F172 A176 | K171-E174 PolarHBondContact O-N 3.06Å; F172-E174 PolarHBondContact O-N 2.8Å; E174-A176 HydrophobicContact CB-CB 4.29Å; E174-A176 PolarHBondContact O-N 3.17Å | ||
| 175 | E | 45 | Very low | 71.1 | Confident | 202 Ų | 202 | 48.5 Ų | 48.5 | 94% | 0.944 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -65.5 | -13.4 | 168.5 | -67.1 | -166.9 | 156.2 | 0 | 0 | 112.5 | K177 | E175-K177 PolarHBondContact O-N 3.38Š|
| 176 | A | 46.9 | Very low | 71.3 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | trans | -78.5 | 101.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E174 N178 S207 | E174-A176 HydrophobicContact CB-CB 4.29Å; E174-A176 PolarHBondContact O-N 3.17Å; A176-N178 PolarHBondContact O-N 2.78Å; A176-S207 WeakPolarHBondContact CB-OG 3.17Å | ||
| 177 | K | 59.3 | Low | 71.7 | Confident | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 113.5 | 170.7 | -63.6 | 177.9 | -177.3 | 178.2 | 0 | 109 | E175 | E175-K177 PolarHBondContact O-N 3.38Å |
| 178 | N | 66.2 | Low | 72.3 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.5 | 169.6 | -69.8 | -47.3 | 0 | 0 | 0 | 108.2 | V169 A176 S205 S207 S210 | V169-N178 PolarHBondContact N-O 3.22Å; V169-N178 PolarHBondContact O-N 2.98Å; V169-N178 VanDerWaalsContact O-N 3.09Å; A176-N178 PolarHBondContact O-N 2.78Å; N178-S205 PolarHBondContact OD1-O 3.16Å; N178-S207 PolarHBondContact OD1-N 3.46Å; N178-S210 PolarHBondContact ND2-OG 3.17Å |
| 179 | T | 74.8 | Confident | 73.2 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.7 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 109 | T166 L204 | T166-T179 HydrophobicContact CG2-CG2 4.38Å; T179-L204 HydrophobicContact CG2-CD1 4.06Å; T179-L204 PolarHBondContact O-N 2.8Å |
| 180 | V | 83.7 | Confident | 74.4 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.1 | 177.8 | -176 | 0 | 0 | 0 | 0 | 108.1 | T166 Q167 I182 N201 P203 | T166-V180 CarbonylContact C-O 3.48Å; T166-V180 WeakPolarHBondContact CA-O 3.35Å; Q167-V180 PolarHBondContact N-O 2.79Å; Q167-V180 PolarHBondContact O-N 2.93Å; V180-I182 HydrophobicContact CG1-CG1 4.11Å; V180-N201 HydrophobicContact CG1-CB 4.15Å; V180-P203 HydrophobicContact CG2-CB 4.49Å |
| 181 | T | 89.5 | Confident | 76 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 131.8 | 164.6 | -56.9 | 0 | 0 | 0 | 0 | 107.9 | T164 G165 H183 D202 L204 | T164-T181 HydrophobicContact CG2-CG2 4.08Å; G165-T181 WeakPolarHBondContact O-CA 3.44Å; T181-H183 WeakPolarHBondContact CG2-NE2 3.27Å; T181-D202 PolarHBondContact N-O 2.97Å; T181-D202 PolarHBondContact O-N 3.41Å; T181-L204 WeakPolarHBondContact OG1-CD1 3Å; T181-L204 WeakPolarHBondContact OG1-CD2 3.47Å; T181-L204 WeakPolarHBondContact OG1-CG 3.31Å |
| 182 | I | 91 | Very high | 78 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.7 | 175.8 | -57.7 | -176.3 | 0 | 0 | 0 | 107.7 | F124 V127 G165 Q167 V180 T199 F200 | F124-I182 HydrophobicContact CE2-CB 4.12Å; F124-I182 HydrophobicContact CE2-CG2 4.44Å; V127-I182 HydrophobicContact CG1-CD1 4.14Å; G165-I182 PolarHBondContact N-O 3.27Å; G165-I182 PolarHBondContact O-N 2.92Å; Q167-I182 HydrophobicContact CB-CD1 4.22Å; Q167-I182 HydrophobicContact CG-CD1 3.83Å; Q167-I182 VanDerWaalsContact OE1-CD1 3.23Å; V180-I182 HydrophobicContact CG1-CG1 4.11Å; I182-T199 HydrophobicContact CG2-CG2 3.67Å; I182-F200 WeakPolarHBondContact CA-O 3.35Å |
| 183 | H | 95.1 | Very high | 80.3 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.8 | 168.2 | -55.8 | -79.3 | 0 | 0 | 0 | 108.6 | L163 T164 T181 T199 F200 L229 F232 | L163-H183 CarbonylContact O-C 3.57Å; L163-H183 WeakPolarHBondContact O-CA 3.46Å; T164-H183 VanDerWaalsContact CG2-CE1 3.44Å; T164-H183 WeakPolarHBondContact CG2-CE1 3.45Å; T164-H183 WeakPolarHBondContact CG2-ND1 3.31Å; T164-H183 PolarHBondContact OG1-ND1 3.41Å; T181-H183 WeakPolarHBondContact CG2-NE2 3.27Å; H183-T199 CarbonylContact O-C 3.55Å; H183-T199 WeakPolarHBondContact O-CA 3.4Å; H183-F200 HydrophobicContact CB-CB 4.24Å; H183-F200 HydrophobicContact CB-CD1 4.17Å; H183-F200 AromaticContact CD2-CD1 3.44Å; H183-F200 VanDerWaalsContact CD2-CD1 3.44Å; H183-F200 WeakPolarHBondContact CD2-CD1 3.49Å; H183-F200 AromaticContact CD2-CE1 3.82Å; H183-F200 PolarHBondContact N-O 2.63Å; H183-F200 PolarHBondContact O-N 3.36Å; H183-L229 HydrophobicContact CB-CD1 4.44Å; H183-F232 HydrophobicContact CB-CD1 3.66Å; H183-F232 HydrophobicContact CB-CE1 3.49Å; H183-F232 VanDerWaalsContact CB-CE1 3.49Å; H183-F232 HydrophobicContact CB-CG 4.49Å; H183-F232 HydrophobicContact CB-CZ 4.21Å |
| 184 | L | 95.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.1 | -173.5 | -177.3 | 159.9 | 0 | 0 | 0 | 108.6 | A120 H123 F124 L162 L163 L186 L197 V198 | A120-L184 HydrophobicContact CB-CD2 4.45Å; H123-L184 HydrophobicContact CB-CD1 4.24Å; F124-L184 HydrophobicContact CB-CD1 4.05Å; L162-L184 CarbonylContact C-O 3.5Å; L162-L184 WeakPolarHBondContact CA-O 3.33Å; L163-L184 HydrophobicContact CB-CB 4.27Å; L163-L184 HydrophobicContact CB-CD2 4.48Å; L163-L184 HydrophobicContact CD2-CB 4.39Å; L163-L184 PolarHBondContact N-O 3.35Å; L163-L184 PolarHBondContact O-N 3.07Å; L184-L186 HydrophobicContact CD2-CB 3.99Å; L184-L197 HydrophobicContact CD1-CD1 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.46Å; L184-L197 VanDerWaalsContact CD2-CD1 3.46Å; L184-L197 HydrophobicContact CG-CD1 3.52Å; L184-L197 HydrophobicContact CG-CG 4.45Å; L184-V198 CarbonylContact C-O 3.59Å; L184-V198 WeakPolarHBondContact CA-O 3.32Å |
| 185 | G | 96.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F161 V198 | F161-G185 CarbonylContact O-C 3.55Å; F161-G185 WeakPolarHBondContact O-CA 3.5Å; G185-V198 PolarHBondContact N-O 2.96Å; G185-V198 PolarHBondContact O-N 3.41Å |
| 186 | L | 96.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.8 | 176.8 | 176.7 | 66.9 | 0 | 0 | 0 | 109.2 | A119 A120 A160 F161 L184 R188 D195 L197 | A119-L186 HydrophobicContact CB-CD2 3.75Å; A120-L186 HydrophobicContact CB-CD2 4.23Å; A160-L186 CarbonylContact C-O 3.49Å; A160-L186 WeakPolarHBondContact CA-O 3.47Å; F161-L186 PolarHBondContact N-O 2.74Å; F161-L186 PolarHBondContact O-N 3.18Å; L184-L186 HydrophobicContact CD2-CB 3.99Å; L186-R188 HydrophobicContact CD2-CG 4.24Å; L186-R188 HydrophobicContact CG-CG 4.14Å; L186-D195 HydrophobicContact CD1-CB 3.87Å; L186-L197 HydrophobicContact CD1-CD1 4.15Å |
| 187 | F | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.2 | 170.7 | -55.8 | -97.6 | 0 | 0 | 0 | 109.6 | L152 L154 A160 D195 V196 V198 L236 L239 | L152-F187 HydrophobicContact CD1-CD1 4.21Å; L152-F187 HydrophobicContact CD1-CE1 3.89Å; L152-F187 HydrophobicContact CD2-CE1 3.89Å; L152-F187 HydrophobicContact CG-CE1 4.39Å; L154-F187 HydrophobicContact CB-CD1 4.45Å; L154-F187 HydrophobicContact CD2-CB 3.65Å; L154-F187 HydrophobicContact CD2-CD1 3.67Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CG 3.73Å; A160-F187 HydrophobicContact CB-CD1 3.8Å; A160-F187 HydrophobicContact CB-CE1 4.17Å; A160-F187 HydrophobicContact CB-CG 4.49Å; F187-D195 CarbonylContact O-C 3.5Å; F187-D195 WeakPolarHBondContact O-CA 3.29Å; F187-V196 HydrophobicContact CB-CB 4.21Å; F187-V196 HydrophobicContact CD2-CB 4.45Å; F187-V196 PolarHBondContact N-O 3.14Å; F187-V196 PolarHBondContact O-N 3.42Å; F187-V198 HydrophobicContact CE2-CG2 4.11Å; F187-L236 HydrophobicContact CE2-CD2 3.71Å; F187-L236 HydrophobicContact CZ-CB 3.92Å; F187-L236 HydrophobicContact CZ-CD2 3.96Å; F187-L236 HydrophobicContact CZ-CG 4.5Å; F187-L236 VanDerWaalsContact CZ-O 3.32Å; F187-L236 WeakPolarHBondContact CZ-O 3.43Å; F187-L239 HydrophobicContact CD2-CD2 3.75Å; F187-L239 HydrophobicContact CE2-CD2 3.59Å; F187-L239 HydrophobicContact CG-CD2 4.32Å; F187-L239 HydrophobicContact CZ-CB 4.47Å; F187-L239 HydrophobicContact CZ-CD2 4.03Å |
| 188 | R | 94.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 6% | 0.064 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.5 | -177.4 | -49.6 | -159.7 | 74.6 | -174.2 | 9.2 | 110.5 | L110 Q111 V114 C157 S158 S159 L186 P190 D195 | L110-R188 HydrophobicContact CD1-CB 4.49Å; Q111-R188 PolarHBondContact O-NH2 3.49Å; V114-R188 PolarHBondContact O-NH1 3.1Å; V114-R188 PolarHBondContact O-NH2 3.02Å; C157-R188 PolarHBondContact SG-O 3.19Å; S158-R188 PolarHBondContact N-O 2.83Å; S159-R188 PolarHBondContact O-N 2.87Å; S159-R188 WeakPolarHBondContact OG-CD 3.43Å; S159-R188 WeakPolarHBondContact OG-CG 3.35Å; L186-R188 HydrophobicContact CD2-CG 4.24Å; L186-R188 HydrophobicContact CG-CG 4.14Å; R188-P190 VanDerWaalsContact C-CD 3.48Å; R188-P190 WeakPolarHBondContact O-CD 3.36Å; R188-D195 WeakPolarHBondContact CA-OD1 3.37Å; R188-D195 WeakPolarHBondContact CB-OD1 3.41Å; R188-D195 VanDerWaalsContact CG-OD1 3.27Å; R188-D195 WeakPolarHBondContact CG-OD1 3.4Å; R188-D195 IonicContact CZ-OD1 2.91Å; R188-D195 IonicContact NE-OD1 3.18Å; R188-D195 PolarHBondContact NE-OD1 2.84Å; R188-D195 IonicContact NE-OD2 2.98Å; R188-D195 IonicContact NH2-OD1 3.44Å; R188-D195 IonicContact NH2-OD2 3.88Å |
| 189 | L | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 74 | 179.2 | -61.5 | 165.4 | 0 | 0 | 0 | 110.2 | L154 C157 Q191 F192 S193 T194 V196 F247 | L154-L189 HydrophobicContact CD2-CD1 4.47Å; L154-L189 HydrophobicContact CD2-CD2 4.41Å; C157-L189 HydrophobicContact CB-CD2 4.33Å; L189-Q191 PolarHBondContact O-N 3.14Å; L189-Q191 VanDerWaalsContact O-N 3.16Å; L189-F192 HydrophobicContact CB-CB 4.46Å; L189-F192 HydrophobicContact CB-CD2 4Å; L189-F192 HydrophobicContact CD1-CD2 4.29Å; L189-F192 CarbonylContact O-C 3.59Å; L189-F192 PolarHBondContact O-N 3.27Å; L189-S193 PolarHBondContact O-N 3.16Å; L189-T194 CarbonylContact C-O 3.54Å; L189-T194 WeakPolarHBondContact CA-O 3.31Å; L189-T194 WeakPolarHBondContact CB-O 3.46Å; L189-T194 PolarHBondContact N-O 3.09Å; L189-T194 PolarHBondContact O-N 3.1Å; L189-V196 HydrophobicContact CD1-CG2 3.76Å; L189-F247 HydrophobicContact CD1-CE1 4.31Å; L189-F247 HydrophobicContact CD1-CE2 4.19Å; L189-F247 HydrophobicContact CD1-CZ 3.69Å |
| 190 | P | 92.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 18.5 Ų | 18.5 | 38% | 0.377 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -58.9 | -28.6 | -177.8 | -23.7 | 34.3 | 0 | 0 | 0 | 114.5 | L110 R188 F192 S193 | L110-P190 HydrophobicContact CD1-CG 4.41Å; L110-P190 HydrophobicContact CD2-CB 4.05Å; L110-P190 HydrophobicContact CD2-CG 4.5Å; R188-P190 VanDerWaalsContact C-CD 3.48Å; R188-P190 WeakPolarHBondContact O-CD 3.36Å; P190-F192 PolarHBondContact O-N 3.4Å; P190-S193 PolarHBondContact O-N 2.76Å; P190-S193 VanDerWaalsContact O-N 3.08Å |
| 191 | Q | 92.6 | Very high | 94 | Very high | 98 Ų | 98 | 18.2 Ų | 18.2 | 46% | 0.458 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -62 | -24 | 175.9 | 70.3 | -83 | 21.4 | 0 | 0 | 113.2 | G156 L189 | G156-Q191 PolarHBondContact O-NE2 3.23Å; G156-Q191 PolarHBondContact O-OE1 2.97Å; L189-Q191 PolarHBondContact O-N 3.14Å; L189-Q191 VanDerWaalsContact O-N 3.16Å |
| 192 | F | 92.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 19.8 Ų | 19.8 | 29% | 0.289 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -111 | 10.5 | 176.9 | -57.9 | -56.5 | 0 | 0 | 0 | 111.9 | L189 P190 T194 L241 P244 F247 | L189-F192 HydrophobicContact CB-CB 4.46Å; L189-F192 HydrophobicContact CB-CD2 4Å; L189-F192 HydrophobicContact CD1-CD2 4.29Å; L189-F192 CarbonylContact O-C 3.59Å; L189-F192 PolarHBondContact O-N 3.27Å; P190-F192 PolarHBondContact O-N 3.4Å; F192-T194 PolarHBondContact O-N 2.86Å; F192-T194 PolarHBondContact O-OG1 3.2Å; F192-L241 HydrophobicContact CE2-CD2 3.79Å; F192-L241 HydrophobicContact CZ-CD2 4.28Å; F192-P244 HydrophobicContact CE1-CB 3.76Å; F192-P244 HydrophobicContact CZ-CB 3.63Å; F192-F247 HydrophobicContact CB-CB 3.82Å; F192-F247 HydrophobicContact CB-CD1 4.44Å; F192-F247 HydrophobicContact CB-CD2 3.81Å; F192-F247 HydrophobicContact CB-CE2 4.5Å; F192-F247 HydrophobicContact CB-CG 3.77Å; F192-F247 HydrophobicContact CD1-CB 4.3Å; F192-F247 AromaticContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CG 4.43Å; F192-F247 AromaticContact CD2-CD2 3.51Å; F192-F247 HydrophobicContact CD2-CD2 3.51Å; F192-F247 AromaticContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CG 4.33Å; F192-F247 HydrophobicContact CD2-CZ 4.48Å; F192-F247 HydrophobicContact CE1-CD2 4.34Å; F192-F247 HydrophobicContact CE2-CD2 4.02Å; F192-F247 AromaticContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CG-CB 4.17Å; F192-F247 AromaticContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CD2 3.45Å; F192-F247 VanDerWaalsContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CE2 4.05Å; F192-F247 AromaticContact CG-CG 3.95Å; F192-F247 HydrophobicContact CG-CG 3.95Å; F192-F247 HydrophobicContact CZ-CD2 4.42Å |
| 193 | S | 93.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 21.3 Ų | 21.3 | 53% | 0.531 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 35.2 | -171.9 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | L110 L189 P190 | L110-S193 VanDerWaalsContact CB-O 3.29Å; L110-S193 WeakPolarHBondContact CB-O 3.33Å; L110-S193 PolarHBondContact N-O 2.91Å; L189-S193 PolarHBondContact O-N 3.16Å; P190-S193 PolarHBondContact O-N 2.76Å; P190-S193 VanDerWaalsContact O-N 3.08Å |
| 194 | T | 93.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 25 Ų | 25 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.1 | -171.8 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | L107 L108 L189 F192 V196 F247 | L107-T194 HydrophobicContact CB-CG2 4.48Å; L108-T194 CarbonylContact O-C 3.58Å; L108-T194 VanDerWaalsContact O-CA 3.29Å; L108-T194 WeakPolarHBondContact O-CA 3.43Å; L108-T194 WeakPolarHBondContact O-CG2 3.41Å; L189-T194 CarbonylContact C-O 3.54Å; L189-T194 WeakPolarHBondContact CA-O 3.31Å; L189-T194 WeakPolarHBondContact CB-O 3.46Å; L189-T194 PolarHBondContact N-O 3.09Å; L189-T194 PolarHBondContact O-N 3.1Å; F192-T194 PolarHBondContact O-N 2.86Å; F192-T194 PolarHBondContact O-OG1 3.2Å; T194-V196 HydrophobicContact CG2-CG2 4.42Å; T194-F247 HydrophobicContact CG2-CD1 3.71Å; T194-F247 HydrophobicContact CG2-CE1 3.65Å |
| 195 | D | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.7 | 163.1 | -80.3 | -29.8 | 0 | 0 | 0 | 108 | L108 L110 Q111 H123 L186 F187 R188 | L108-D195 HydrophobicContact CB-CB 4.36Å; L108-D195 WeakPolarHBondContact CB-O 3.44Å; L108-D195 PolarHBondContact N-O 3.3Å; L108-D195 PolarHBondContact O-N 3.01Å; L110-D195 VanDerWaalsContact CD1-OD1 3.31Å; L110-D195 WeakPolarHBondContact CD1-OD1 3.44Å; Q111-D195 PolarHBondContact N-OD2 3.13Å; H123-D195 IonicContact CE1-OD2 3.58Å; H123-D195 IonicContact NE2-OD2 3.93Å; H123-D195 PolarHBondContact NE2-OD2 3.28Å; H123-D195 VanDerWaalsContact NE2-OD2 3.07Å; L186-D195 HydrophobicContact CD1-CB 3.87Å; F187-D195 CarbonylContact O-C 3.5Å; F187-D195 WeakPolarHBondContact O-CA 3.29Å; R188-D195 WeakPolarHBondContact CA-OD1 3.37Å; R188-D195 WeakPolarHBondContact CB-OD1 3.41Å; R188-D195 VanDerWaalsContact CG-OD1 3.27Å; R188-D195 WeakPolarHBondContact CG-OD1 3.4Å; R188-D195 IonicContact CZ-OD1 2.91Å; R188-D195 IonicContact NE-OD1 3.18Å; R188-D195 PolarHBondContact NE-OD1 2.84Å; R188-D195 IonicContact NE-OD2 2.98Å; R188-D195 IonicContact NH2-OD1 3.44Å; R188-D195 IonicContact NH2-OD2 3.88Å |
| 196 | V | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.4 | 170.6 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | V105 L107 F187 L189 T194 L239 F247 | V105-V196 HydrophobicContact CG1-CG1 4.21Å; L107-V196 HydrophobicContact CD2-CB 4.45Å; L107-V196 HydrophobicContact CD2-CG1 4.05Å; L107-V196 HydrophobicContact CD2-CG2 3.9Å; F187-V196 HydrophobicContact CB-CB 4.21Å; F187-V196 HydrophobicContact CD2-CB 4.45Å; F187-V196 PolarHBondContact N-O 3.14Å; F187-V196 PolarHBondContact O-N 3.42Å; L189-V196 HydrophobicContact CD1-CG2 3.76Å; T194-V196 HydrophobicContact CG2-CG2 4.42Å; V196-L239 HydrophobicContact CG1-CD2 4.06Å; V196-F247 HydrophobicContact CG2-CE1 4.48Å |
| 197 | L | 95.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.1 | -178.3 | -170.3 | 70 | 0 | 0 | 0 | 110 | V105 E106 L108 H123 V127 L184 L186 | V105-L197 CarbonylContact C-O 3.54Å; V105-L197 WeakPolarHBondContact CA-O 3.37Å; E106-L197 PolarHBondContact N-O 2.92Å; E106-L197 PolarHBondContact O-N 3.16Å; L108-L197 HydrophobicContact CD1-CB 3.77Å; L108-L197 HydrophobicContact CD1-CD2 3.68Å; L108-L197 HydrophobicContact CD1-CG 4.31Å; L108-L197 HydrophobicContact CG-CB 4.48Å; H123-L197 HydrophobicContact CB-CD1 3.99Å; H123-L197 HydrophobicContact CB-CD2 4.4Å; V127-L197 HydrophobicContact CG2-CD2 4.43Å; L184-L197 HydrophobicContact CD1-CD1 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.46Å; L184-L197 VanDerWaalsContact CD2-CD1 3.46Å; L184-L197 HydrophobicContact CG-CD1 3.52Å; L184-L197 HydrophobicContact CG-CG 4.45Å; L186-L197 HydrophobicContact CD1-CD1 4.15Å |
| 198 | V | 96.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.4 | 171.2 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | I103 I104 V105 L184 G185 F187 F232 L235 L236 | I103-V198 HydrophobicContact CG2-CG1 4.11Å; I104-V198 CarbonylContact O-C 3.59Å; I104-V198 VanDerWaalsContact O-CA 3.28Å; I104-V198 WeakPolarHBondContact O-CA 3.4Å; V105-V198 HydrophobicContact CG1-CG2 4.39Å; V105-V198 HydrophobicContact CG2-CG1 4.23Å; V105-V198 HydrophobicContact CG2-CG2 4.49Å; L184-V198 CarbonylContact C-O 3.59Å; L184-V198 WeakPolarHBondContact CA-O 3.32Å; G185-V198 PolarHBondContact N-O 2.96Å; G185-V198 PolarHBondContact O-N 3.41Å; F187-V198 HydrophobicContact CE2-CG2 4.11Å; V198-F232 HydrophobicContact CB-CE2 4.25Å; V198-F232 HydrophobicContact CB-CZ 4.36Å; V198-F232 HydrophobicContact CG1-CE2 3.55Å; V198-F232 HydrophobicContact CG1-CZ 4.15Å; V198-L235 HydrophobicContact CG1-CD2 3.71Å; V198-L235 HydrophobicContact CG2-CD2 4.3Å; V198-L236 HydrophobicContact CB-CD2 3.71Å; V198-L236 HydrophobicContact CG1-CD2 4.11Å; V198-L236 HydrophobicContact CG2-CD2 3.81Å |
| 199 | T | 94.5 | Very high | 80.4 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.2 | 180 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | I103 I104 I182 H183 | I103-T199 CarbonylContact C-O 3.53Å; I103-T199 VanDerWaalsContact CA-O 3.28Å; I103-T199 WeakPolarHBondContact CA-O 3.44Å; I104-T199 PolarHBondContact N-O 3.13Å; I104-T199 PolarHBondContact O-N 3.3Å; I182-T199 HydrophobicContact CG2-CG2 3.67Å; H183-T199 CarbonylContact O-C 3.55Å; H183-T199 WeakPolarHBondContact O-CA 3.4Å |
| 200 | F | 93.6 | Very high | 77.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.3 | 170.9 | 169.7 | -135.1 | 0 | 0 | 0 | 109.5 | Q101 S102 I103 I182 H183 D202 W227 F232 | Q101-F200 HydrophobicContact CB-CE2 4.05Å; Q101-F200 HydrophobicContact CG-CE2 4.18Å; S102-F200 WeakPolarHBondContact O-CA 3.33Å; I103-F200 HydrophobicContact CG1-CB 4.24Å; I103-F200 HydrophobicContact CG1-CD2 3.76Å; I103-F200 HydrophobicContact CG1-CG 4.31Å; I182-F200 WeakPolarHBondContact CA-O 3.35Å; H183-F200 HydrophobicContact CB-CB 4.24Å; H183-F200 HydrophobicContact CB-CD1 4.17Å; H183-F200 AromaticContact CD2-CD1 3.44Å; H183-F200 VanDerWaalsContact CD2-CD1 3.44Å; H183-F200 WeakPolarHBondContact CD2-CD1 3.49Å; H183-F200 AromaticContact CD2-CE1 3.82Å; H183-F200 PolarHBondContact N-O 2.63Å; H183-F200 PolarHBondContact O-N 3.36Å; F200-D202 HydrophobicContact CE1-CB 4.03Å; F200-D202 HydrophobicContact CE2-CB 4.34Å; F200-D202 HydrophobicContact CZ-CB 3.85Å; F200-W227 HydrophobicContact CD2-CE3 4.49Å; F200-W227 HydrophobicContact CE2-CB 4.18Å; F200-W227 HydrophobicContact CE2-CE3 4.02Å; F200-W227 HydrophobicContact CZ-CB 4.02Å; F200-F232 HydrophobicContact CB-CD1 4.39Å; F200-F232 HydrophobicContact CB-CD2 3.36Å; F200-F232 HydrophobicContact CB-CE1 4.44Å; F200-F232 HydrophobicContact CB-CE2 3.41Å; F200-F232 VanDerWaalsContact CB-CE2 3.41Å; F200-F232 HydrophobicContact CB-CG 3.87Å; F200-F232 HydrophobicContact CB-CZ 3.98Å; F200-F232 HydrophobicContact CD1-CB 3.89Å; F200-F232 HydrophobicContact CD1-CD2 4.26Å; F200-F232 AromaticContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CG-CB 4.44Å; F200-F232 HydrophobicContact CG-CD2 4.05Å; F200-F232 HydrophobicContact CG-CG 4.26Å |
| 201 | N | 89.8 | Confident | 75.8 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.2 | 175.5 | -59.3 | -50.8 | 0 | 0 | 0 | 108.9 | Q101 S102 V180 | Q101-N201 VanDerWaalsContact CA-O 3.31Å; Q101-N201 WeakPolarHBondContact CA-O 3.25Å; S102-N201 PolarHBondContact N-O 2.86Å; S102-N201 PolarHBondContact O-N 3.24Å; S102-N201 WeakPolarHBondContact OG-CB 3.44Å; S102-N201 PolarHBondContact OG-ND2 3.16Å; V180-N201 HydrophobicContact CG1-CB 4.15Å |
| 202 | D | 87.2 | Confident | 73.6 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 98.3 | -179.2 | -176.3 | 33.4 | 0 | 0 | 0 | 110.5 | Q101 T181 F200 L204 | Q101-D202 PolarHBondContact NE2-OD1 3.33Å; T181-D202 PolarHBondContact N-O 2.97Å; T181-D202 PolarHBondContact O-N 3.41Å; F200-D202 HydrophobicContact CE1-CB 4.03Å; F200-D202 HydrophobicContact CE2-CB 4.34Å; F200-D202 HydrophobicContact CZ-CB 3.85Å; D202-L204 PolarHBondContact O-N 2.86Å |
| 203 | P | 81.8 | Confident | 71.2 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.4 | -176.9 | 26.4 | -29.9 | 0 | 0 | 0 | 111.7 | D100 V180 | D100-P203 HydrophobicContact CB-CG 3.86Å; V180-P203 HydrophobicContact CG2-CB 4.49Å |
| 204 | L | 68.9 | Low | 68.7 | Low | 92 Ų | 92 | 39.4 Ų | 39.4 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -83.6 | -28 | -176.4 | -69.8 | 178.2 | 0 | 0 | 0 | 114.2 | T166 T179 T181 D202 | T166-L204 HydrophobicContact CG2-CD1 4.32Å; T179-L204 HydrophobicContact CG2-CD1 4.06Å; T179-L204 PolarHBondContact O-N 2.8Å; T181-L204 WeakPolarHBondContact OG1-CD1 3Å; T181-L204 WeakPolarHBondContact OG1-CD2 3.47Å; T181-L204 WeakPolarHBondContact OG1-CG 3.31Å; D202-L204 PolarHBondContact O-N 2.86Å |
| 205 | S | 54.8 | Low | 66.3 | Low | 75 Ų | 75 | 41.5 Ų | 41.5 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | trans | -156.4 | 120.9 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | N178 | N178-S205 PolarHBondContact OD1-O 3.16Š| ||
| 206 | I | 51.7 | Low | 63.8 | Low | 68 Ų | 68 | 50.3 Ų | 50.3 | 35% | 0.349 | 33% | 0.326 | S | S | . | . | trans | -92.1 | 111.9 | 164.8 | -62.1 | 168.5 | 0 | 0 | 0 | 105.5 | D100 S212 A213 | D100-I206 WeakPolarHBondContact OD2-CD1 2.83Å; I206-S212 VanDerWaalsContact CG2-CB 3.5Å; I206-A213 HydrophobicContact CG2-CB 4.45Å | ||
| 207 | S | 39.8 | Very low | 61 | Low | 24 Ų | 24 | 53.7 Ų | 53.7 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | trans | -59.4 | 143 | 175.1 | 76.2 | 0 | 0 | 0 | 0 | 110.3 | A176 N178 G209 S210 | A176-S207 WeakPolarHBondContact CB-OG 3.17Å; N178-S207 PolarHBondContact OD1-N 3.46Å; S207-G209 PolarHBondContact O-N 3.35Å; S207-S210 PolarHBondContact O-N 3.02Å; S207-S210 PolarHBondContact OG-N 2.88Å; S207-S210 PolarHBondContact OG-OG 2.97Å | ||
| 208 | P | 44 | Very low | 58.3 | Low | 123 Ų | 123 | 56.9 Ų | 56.9 | 80% | 0.799 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -13.8 | 179.1 | -21.6 | 30.8 | 0 | 0 | 0 | 114.6 | A213 | P208-A213 VanDerWaalsContact O-CB 3.29Å; P208-A213 WeakPolarHBondContact O-CB 3.25Å |
| 209 | G | 42 | Very low | 55.5 | Low | 59 Ų | 59 | 66.3 Ų | 66.3 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S207 | S207-G209 PolarHBondContact O-N 3.35Š|
| 210 | S | 40.9 | Very low | 52.6 | Low | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.028 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -75.2 | 149.5 | 176.1 | -72.7 | 0 | 0 | 0 | 0 | 110.8 | N178 S207 S212 A213 | N178-S210 PolarHBondContact ND2-OG 3.17Å; S207-S210 PolarHBondContact O-N 3.02Å; S207-S210 PolarHBondContact OG-N 2.88Å; S207-S210 PolarHBondContact OG-OG 2.97Å; S210-S212 PolarHBondContact O-N 3.29Å; S210-A213 VanDerWaalsContact O-CB 3.27Å; S210-A213 WeakPolarHBondContact O-CB 3.49Å; S210-A213 PolarHBondContact O-N 3.47Å |
| 211 | S | 48.1 | Very low | 50 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.4 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | A213 | S211-A213 VanDerWaalsContact C-N 3.33Š|
| 212 | S | 45.9 | Very low | 47.8 | Very low | 12 Ų | 12 | 90 Ų | 90 | 8% | 0.084 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.2 | 170.4 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | K46 D100 I206 S210 | K46-S212 PolarHBondContact NZ-O 3.43Å; D100-S212 WeakPolarHBondContact OD2-CB 3.42Å; D100-S212 PolarHBondContact OD2-OG 3.08Å; I206-S212 VanDerWaalsContact CG2-CB 3.5Å; S210-S212 PolarHBondContact O-N 3.29Å |
| 213 | A | 43.4 | Very low | 45.8 | Very low | 34 Ų | 34 | 95.3 Ų | 95.3 | 28% | 0.281 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -88.7 | -20.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I206 P208 S210 S211 G215 | I206-A213 HydrophobicContact CG2-CB 4.45Å; P208-A213 VanDerWaalsContact O-CB 3.29Å; P208-A213 WeakPolarHBondContact O-CB 3.25Å; S210-A213 VanDerWaalsContact O-CB 3.27Å; S210-A213 WeakPolarHBondContact O-CB 3.49Å; S210-A213 PolarHBondContact O-N 3.47Å; S211-A213 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 2.81Å; A213-G215 VanDerWaalsContact O-N 3.16Å |
| 214 | V | 41.2 | Very low | 44.8 | Very low | 132 Ų | 132 | 96.1 Ų | 96.1 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 88.3 | -176.6 | -164.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 215 | G | 42.9 | Very low | 45.3 | Very low | 60 Ų | 60 | 98.9 Ų | 98.9 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.5 | 12.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A213 G217 | A213-G215 PolarHBondContact O-N 2.81Å; A213-G215 VanDerWaalsContact O-N 3.16Å; G215-G217 PolarHBondContact O-N 2.83Å |
| 216 | M | 42.3 | Very low | 46.8 | Very low | 185 Ų | 185 | 98.2 Ų | 98.2 | 91% | 0.911 | 58% | 0.584 | S | S | * | * | trans | -78.8 | 66.3 | 172 | -64.9 | -65.2 | -65.7 | 0 | 0 | 109.6 | ||||
| 217 | G | 35.4 | Very low | 48.6 | Very low | 70 Ų | 70 | 95.5 Ų | 95.5 | 72% | 0.722 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -137.2 | 73.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.5 | G215 | G215-G217 PolarHBondContact O-N 2.83Š|
| 218 | G | 40.6 | Very low | 51.1 | Low | 68 Ų | 68 | 97.3 Ų | 97.3 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | trans | 55.6 | 97.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 219 | E | 35.4 | Very low | 53.4 | Low | 198 Ų | 198 | 94.7 Ų | 94.7 | 93% | 0.925 | 56% | 0.559 | S | S | * | * | trans | -166.6 | 150 | 142.4 | -103.8 | 158 | -162.9 | 0 | 0 | 108.6 | Q221 | E219-Q221 PolarHBondContact O-N 2.88Š| ||
| 220 | Q | 35.6 | Very low | 55.8 | Low | 192 Ų | 192 | 97.8 Ų | 97.8 | 90% | 0.897 | 56% | 0.557 | S | S | * | * | trans | -47.2 | 122.6 | -158.8 | -66.9 | 167.1 | -5 | 0 | 0 | 114.4 | E222 | Q220-E222 PolarHBondContact O-N 3.16Š| ||
| 221 | Q | 38.8 | Very low | 58.2 | Low | 179 Ų | 179 | 99.2 Ų | 99.2 | 84% | 0.836 | 57% | 0.565 | S | S | * | * | trans | -73.8 | 89.2 | 175.8 | -159.9 | 159.6 | -3.4 | 0 | 0 | 108 | E219 D223 | E219-Q221 PolarHBondContact O-N 2.88Å; Q221-D223 PolarHBondContact O-N 3.35Å | ||
| 222 | E | 43.6 | Very low | 60.5 | Low | 157 Ų | 157 | 95.2 Ų | 95.2 | 73% | 0.734 | 54% | 0.537 | S | S | * | . | trans | -63.3 | 121.3 | 158.8 | -74.7 | -169.9 | 161.5 | 0 | 0 | 106.9 | Q220 T224 | Q220-E222 PolarHBondContact O-N 3.16Å; E222-T224 PolarHBondContact O-N 3.05Å; E222-T224 PolarHBondContact O-OG1 2.82Å; E222-T224 VanDerWaalsContact O-OG1 3.09Å | ||
| 223 | D | 43.8 | Very low | 62.8 | Low | 152 Ų | 152 | 98.1 Ų | 98.1 | 81% | 0.813 | 55% | 0.549 | S | S | * | . | trans | -53.6 | 84.9 | 173.4 | -76.1 | -35.4 | 0 | 0 | 0 | 110.1 | Q221 | Q221-D223 PolarHBondContact O-N 3.35Š| ||
| 224 | T | 62.3 | Low | 65.2 | Low | 50 Ų | 50 | 101.7 Ų | 101.7 | 31% | 0.307 | 56% | 0.555 | S | S | . | * | trans | -104.8 | 86.9 | 169.2 | 24.4 | 0 | 0 | 0 | 0 | 106.9 | H98 E222 | H98-T224 PolarHBondContact CD2-OG1 2.83Å; E222-T224 PolarHBondContact O-N 3.05Å; E222-T224 PolarHBondContact O-OG1 2.82Å; E222-T224 VanDerWaalsContact O-OG1 3.09Å | ||
| 225 | E | 78.2 | Confident | 67.8 | Low | 149 Ų | 149 | 95.4 Ų | 95.4 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 135.5 | 171 | -76 | -74 | 137.8 | 0 | 0 | 110.2 | H96 | H96-E225 PolarHBondContact NE2-O 2.84Š|
| 226 | P | 86.1 | Confident | 70.3 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 150.7 | 176 | 27.8 | -34 | 0 | 0 | 0 | 111.3 | N99 T228 | N99-P226 VanDerWaalsContact ND2-CA 3.29Å; N99-P226 WeakPolarHBondContact ND2-CA 3.5Å; P226-T228 PolarHBondContact O-N 3.46Å |
| 227 | W | 90.2 | Very high | 72.8 | Confident | 11 Ų | 11 | 87.6 Ų | 87.6 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 138.5 | 170.8 | -57.9 | -24 | 0 | 0 | 0 | 109.7 | P75 S77 A78 H96 Q101 I103 F200 | P75-W227 VanDerWaalsContact CB-CD1 3.48Å; P75-W227 HydrophobicContact CB-CD2 4.07Å; P75-W227 HydrophobicContact CB-CG 4.01Å; P75-W227 HydrophobicContact CB-CZ2 4.28Å; P75-W227 HydrophobicContact CG-CD2 3.94Å; P75-W227 HydrophobicContact CG-CG 3.9Å; S77-W227 PolarHBondContact OG-NE1 3.49Å; A78-W227 HydrophobicContact CB-CH2 3.67Å; A78-W227 HydrophobicContact CB-CZ2 3.48Å; A78-W227 VanDerWaalsContact CB-CZ2 3.48Å; H96-W227 HydrophobicContact CB-CD2 4.47Å; H96-W227 HydrophobicContact CB-CE3 4.45Å; H96-W227 HydrophobicContact CB-CH2 3.78Å; H96-W227 HydrophobicContact CB-CZ2 3.72Å; H96-W227 HydrophobicContact CB-CZ3 4.13Å; H96-W227 AromaticContact CD2-CD1 3.78Å; H96-W227 AromaticContact CD2-CD2 3.9Å; H96-W227 AromaticContact CD2-CE2 3.46Å; H96-W227 VanDerWaalsContact CD2-CE2 3.46Å; H96-W227 AromaticContact CD2-CZ2 3.85Å; H96-W227 AromaticContact CD2-NE1 3.38Å; H96-W227 PolarHBondContact CD2-NE1 3.09Å; H96-W227 VanDerWaalsContact N-CH2 3.29Å; Q101-W227 HydrophobicContact CB-CE3 4.1Å; Q101-W227 HydrophobicContact CB-CZ3 4.41Å; Q101-W227 PolarHBondContact NE2-O 3.16Å; I103-W227 HydrophobicContact CB-CZ3 4.49Å; I103-W227 HydrophobicContact CD1-CD2 4.38Å; I103-W227 HydrophobicContact CD1-CE3 3.7Å; I103-W227 HydrophobicContact CD1-CZ3 3.87Å; I103-W227 HydrophobicContact CG1-CE3 3.92Å; I103-W227 HydrophobicContact CG1-CZ3 3.85Å; F200-W227 HydrophobicContact CD2-CE3 4.49Å; F200-W227 HydrophobicContact CE2-CB 4.18Å; F200-W227 HydrophobicContact CE2-CE3 4.02Å; F200-W227 HydrophobicContact CZ-CB 4.02Å |
| 228 | T | 92.1 | Very high | 75.6 | Confident | 61 Ų | 61 | 85.5 Ų | 85.5 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 165.2 | -178.1 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | P226 Q230 D231 F232 | P226-T228 PolarHBondContact O-N 3.46Å; T228-Q230 PolarHBondContact O-N 2.99Å; T228-Q230 VanDerWaalsContact O-N 3.17Å; T228-Q230 PolarHBondContact OG1-N 3.32Å; T228-D231 WeakPolarHBondContact CB-OD2 3.35Å; T228-D231 PolarHBondContact N-OD2 2.8Å; T228-D231 WeakPolarHBondContact O-CB 3.37Å; T228-D231 PolarHBondContact O-N 2.91Å; T228-D231 PolarHBondContact OG1-N 3.34Å; T228-D231 PolarHBondContact OG1-OD2 2.95Å; T228-F232 PolarHBondContact O-N 3.48Å; T228-F232 VanDerWaalsContact O-N 3.12Å |
| 229 | L | 91.6 | Very high | 78.2 | Confident | 68 Ų | 68 | 82.2 Ų | 82.2 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.7 | -30.5 | 168.4 | -179.8 | 57.8 | 0 | 0 | 0 | 112.2 | H183 F232 Q233 | H183-L229 HydrophobicContact CB-CD1 4.44Å; L229-F232 HydrophobicContact CD1-CD1 4.16Å; L229-F232 PolarHBondContact O-N 2.89Å; L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.47Å; L229-Q233 WeakPolarHBondContact O-CB 3.34Å; L229-Q233 WeakPolarHBondContact O-CG 3.36Å; L229-Q233 PolarHBondContact O-N 2.98Å |
| 230 | Q | 92.8 | Very high | 81.1 | Confident | 125 Ų | 125 | 78.6 Ų | 78.6 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.6 | -34.8 | 177.3 | -169.1 | -178.8 | 9.1 | 0 | 0 | 112.1 | T228 F232 R234 | T228-Q230 PolarHBondContact O-N 2.99Å; T228-Q230 VanDerWaalsContact O-N 3.17Å; T228-Q230 PolarHBondContact OG1-N 3.32Å; Q230-F232 VanDerWaalsContact C-N 3.35Å; Q230-R234 WeakPolarHBondContact O-CB 3.47Å; Q230-R234 WeakPolarHBondContact O-CG 3.06Å; Q230-R234 PolarHBondContact O-N 3.36Å; Q230-R234 PolarHBondContact O-NE 3.19Å |
| 231 | D | 92.8 | Very high | 83.9 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 172.3 | -60.2 | -54.7 | 0 | 0 | 0 | 110.7 | P75 T228 R234 L235 | P75-D231 HydrophobicContact CG-CB 4.2Å; T228-D231 WeakPolarHBondContact CB-OD2 3.35Å; T228-D231 PolarHBondContact N-OD2 2.8Å; T228-D231 WeakPolarHBondContact O-CB 3.37Å; T228-D231 PolarHBondContact O-N 2.91Å; T228-D231 PolarHBondContact OG1-N 3.34Å; T228-D231 PolarHBondContact OG1-OD2 2.95Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 3.81Å; D231-R234 IonicContact OD1-NE 2.65Å; D231-R234 IonicContact OD1-NH1 3.09Å; D231-R234 PolarHBondContact OD1-NH1 3.44Å; D231-R234 IonicContact OD1-NH2 2.85Å; D231-R234 PolarHBondContact OD1-NH2 3.32Å; D231-L235 PolarHBondContact O-N 3.09Å |
| 232 | F | 94.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 175 | -174.5 | -118 | 0 | 0 | 0 | 112.3 | L162 H183 V198 F200 T228 L229 Q230 R234 L235 L236 | L162-F232 HydrophobicContact CD1-CD1 4.03Å; L162-F232 HydrophobicContact CD1-CE1 3.59Å; H183-F232 HydrophobicContact CB-CD1 3.66Å; H183-F232 HydrophobicContact CB-CE1 3.49Å; H183-F232 VanDerWaalsContact CB-CE1 3.49Å; H183-F232 HydrophobicContact CB-CG 4.49Å; H183-F232 HydrophobicContact CB-CZ 4.21Å; V198-F232 HydrophobicContact CB-CE2 4.25Å; V198-F232 HydrophobicContact CB-CZ 4.36Å; V198-F232 HydrophobicContact CG1-CE2 3.55Å; V198-F232 HydrophobicContact CG1-CZ 4.15Å; F200-F232 HydrophobicContact CB-CD1 4.39Å; F200-F232 HydrophobicContact CB-CD2 3.36Å; F200-F232 HydrophobicContact CB-CE1 4.44Å; F200-F232 HydrophobicContact CB-CE2 3.41Å; F200-F232 VanDerWaalsContact CB-CE2 3.41Å; F200-F232 HydrophobicContact CB-CG 3.87Å; F200-F232 HydrophobicContact CB-CZ 3.98Å; F200-F232 HydrophobicContact CD1-CB 3.89Å; F200-F232 HydrophobicContact CD1-CD2 4.26Å; F200-F232 AromaticContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CG-CB 4.44Å; F200-F232 HydrophobicContact CG-CD2 4.05Å; F200-F232 HydrophobicContact CG-CG 4.26Å; T228-F232 PolarHBondContact O-N 3.48Å; T228-F232 VanDerWaalsContact O-N 3.12Å; L229-F232 HydrophobicContact CD1-CD1 4.16Å; L229-F232 PolarHBondContact O-N 2.89Å; Q230-F232 VanDerWaalsContact C-N 3.35Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.95Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.15Å; F232-L235 VanDerWaalsContact O-N 3.16Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD1-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD2 4.44Å; F232-L236 HydrophobicContact CE1-CG 4.23Å; F232-L236 HydrophobicContact CE2-CD2 4.3Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CD2 4.04Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.21Å; F232-L236 PolarHBondContact O-N 3Å |
| 233 | Q | 94.4 | Very high | 88.8 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.2 | -75.3 | 175.9 | -28 | 0 | 0 | 112.3 | L162 L229 L235 L236 Q237 | L162-Q233 HydrophobicContact CD2-CG 4.17Å; L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.47Å; L229-Q233 WeakPolarHBondContact O-CB 3.34Å; L229-Q233 WeakPolarHBondContact O-CG 3.36Å; L229-Q233 PolarHBondContact O-N 2.98Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.86Å; Q233-L236 PolarHBondContact O-N 3.11Å; Q233-Q237 WeakPolarHBondContact O-CB 3.27Å; Q233-Q237 VanDerWaalsContact O-CG 3.26Å; Q233-Q237 WeakPolarHBondContact O-CG 3.18Å; Q233-Q237 PolarHBondContact O-N 3.28Å |
| 234 | R | 94.4 | Very high | 91.1 | Very high | 110 Ų | 110 | 59.2 Ų | 59.2 | 42% | 0.415 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174 | -81.8 | 179.3 | -84.6 | 168.4 | -14.5 | 112.2 | Q230 D231 F232 Q237 S238 | Q230-R234 WeakPolarHBondContact O-CB 3.47Å; Q230-R234 WeakPolarHBondContact O-CG 3.06Å; Q230-R234 PolarHBondContact O-N 3.36Å; Q230-R234 PolarHBondContact O-NE 3.19Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 3.81Å; D231-R234 IonicContact OD1-NE 2.65Å; D231-R234 IonicContact OD1-NH1 3.09Å; D231-R234 PolarHBondContact OD1-NH1 3.44Å; D231-R234 IonicContact OD1-NH2 2.85Å; D231-R234 PolarHBondContact OD1-NH2 3.32Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.95Å; R234-Q237 PolarHBondContact O-N 3.46Å; R234-S238 VanDerWaalsContact O-CB 3.3Å; R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.88Å; R234-S238 PolarHBondContact O-OG 2.92Å |
| 235 | L | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 172.8 | -176.6 | 167.1 | 0 | 0 | 0 | 110.4 | A72 T73 I74 I103 V198 D231 F232 Q233 Q237 S238 L239 | A72-L235 HydrophobicContact CB-CD2 4.29Å; A72-L235 HydrophobicContact CB-CG 4.18Å; T73-L235 WeakPolarHBondContact O-CA 3.22Å; T73-L235 WeakPolarHBondContact O-CB 3.37Å; I74-L235 HydrophobicContact CD1-CD1 3.37Å; I74-L235 HydrophobicContact CD1-CG 3.81Å; I103-L235 HydrophobicContact CD1-CD1 4Å; I103-L235 HydrophobicContact CG2-CD1 3.67Å; V198-L235 HydrophobicContact CG1-CD2 3.71Å; V198-L235 HydrophobicContact CG2-CD2 4.3Å; D231-L235 PolarHBondContact O-N 3.09Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.15Å; F232-L235 VanDerWaalsContact O-N 3.16Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.86Å; L235-Q237 PolarHBondContact O-N 3.17Å; L235-S238 PolarHBondContact O-N 3.13Å; L235-S238 PolarHBondContact O-OG 3.17Å; L235-L239 PolarHBondContact O-N 3.02Å |
| 236 | L | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 179.9 | -62.6 | -177.2 | 0 | 0 | 0 | 112.5 | L147 L162 F187 V198 F232 Q233 S238 L239 | L147-L236 HydrophobicContact CD1-CB 4.47Å; L147-L236 HydrophobicContact CD1-CD1 4.02Å; L162-L236 HydrophobicContact CD1-CD1 3.98Å; F187-L236 HydrophobicContact CE2-CD2 3.71Å; F187-L236 HydrophobicContact CZ-CB 3.92Å; F187-L236 HydrophobicContact CZ-CD2 3.96Å; F187-L236 HydrophobicContact CZ-CG 4.5Å; F187-L236 VanDerWaalsContact CZ-O 3.32Å; F187-L236 WeakPolarHBondContact CZ-O 3.43Å; V198-L236 HydrophobicContact CB-CD2 3.71Å; V198-L236 HydrophobicContact CG1-CD2 4.11Å; V198-L236 HydrophobicContact CG2-CD2 3.81Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD1-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD2 4.44Å; F232-L236 HydrophobicContact CE1-CG 4.23Å; F232-L236 HydrophobicContact CE2-CD2 4.3Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CD2 4.04Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.21Å; F232-L236 PolarHBondContact O-N 3Å; Q233-L236 PolarHBondContact O-N 3.11Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 2.92Å; L236-L239 PolarHBondContact O-N 3.21Å |
| 237 | Q | 94.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -29.9 | -178.9 | -71.4 | 172.8 | -17.5 | 0 | 0 | 113.1 | D151 L152 S153 Q233 R234 L235 | D151-Q237 VanDerWaalsContact O-CB 3.32Å; D151-Q237 WeakPolarHBondContact O-CB 3.45Å; D151-Q237 WeakPolarHBondContact O-CG 3.29Å; L152-Q237 HydrophobicContact CD2-CG 4.49Å; S153-Q237 VanDerWaalsContact CB-O 3.31Å; S153-Q237 WeakPolarHBondContact CB-O 3.39Å; S153-Q237 PolarHBondContact N-O 2.85Å; S153-Q237 PolarHBondContact OG-O 2.87Å; Q233-Q237 WeakPolarHBondContact O-CB 3.27Å; Q233-Q237 VanDerWaalsContact O-CG 3.26Å; Q233-Q237 WeakPolarHBondContact O-CG 3.18Å; Q233-Q237 PolarHBondContact O-N 3.28Å; R234-Q237 PolarHBondContact O-N 3.46Å; L235-Q237 PolarHBondContact O-N 3.17Å |
| 238 | S | 95.1 | Very high | 92.5 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -94.4 | -5.8 | -178.4 | 62 | 0 | 0 | 0 | 0 | 114.3 | T73 R234 L235 L236 R240 | T73-S238 WeakPolarHBondContact CB-OG 3.44Å; T73-S238 PolarHBondContact N-OG 2.65Å; T73-S238 VanDerWaalsContact OG1-CB 3.26Å; T73-S238 WeakPolarHBondContact OG1-CB 3.4Å; T73-S238 PolarHBondContact OG1-OG 3.43Å; R234-S238 VanDerWaalsContact O-CB 3.3Å; R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.88Å; R234-S238 PolarHBondContact O-OG 2.92Å; L235-S238 PolarHBondContact O-N 3.13Å; L235-S238 PolarHBondContact O-OG 3.17Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 2.92Å; S238-R240 PolarHBondContact O-N 2.77Å |
| 239 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -57.4 | 125.2 | 174.3 | -173.9 | 67 | 0 | 0 | 0 | 109.2 | L65 L70 S71 A72 S153 L154 F187 V196 L235 L236 | L65-L239 HydrophobicContact CD1-CD1 4.14Å; L70-L239 HydrophobicContact CD2-CD1 3.95Å; L70-L239 HydrophobicContact CD2-CG 4.36Å; S71-L239 CarbonylContact O-C 3.5Å; S71-L239 WeakPolarHBondContact O-CA 3.31Å; A72-L239 HydrophobicContact CB-CB 4.46Å; A72-L239 HydrophobicContact CB-CD1 3.94Å; S153-L239 CarbonylContact C-O 3.59Å; S153-L239 WeakPolarHBondContact CB-O 3.2Å; L154-L239 WeakPolarHBondContact CA-O 3.32Å; L154-L239 WeakPolarHBondContact CB-O 3.06Å; L154-L239 HydrophobicContact CD2-CD2 4.19Å; L154-L239 PolarHBondContact N-O 3.24Å; F187-L239 HydrophobicContact CD2-CD2 3.75Å; F187-L239 HydrophobicContact CE2-CD2 3.59Å; F187-L239 HydrophobicContact CG-CD2 4.32Å; F187-L239 HydrophobicContact CZ-CB 4.47Å; F187-L239 HydrophobicContact CZ-CD2 4.03Å; V196-L239 HydrophobicContact CG1-CD2 4.06Å; L235-L239 PolarHBondContact O-N 3.02Å; L236-L239 PolarHBondContact O-N 3.21Å | ||
| 240 | R | 95 | Very high | 92.6 | Very high | 122 Ų | 122 | 62.4 Ų | 62.4 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.3 | -176.9 | -177.4 | 177 | -68.9 | -174.8 | 2.6 | 109.9 | L70 S71 S238 H242 | L70-R240 CarbonylContact C-O 3.6Å; L70-R240 VanDerWaalsContact CA-O 3.22Å; L70-R240 WeakPolarHBondContact CA-O 3.38Å; S71-R240 PolarHBondContact N-O 3.44Å; S71-R240 PolarHBondContact O-N 2.85Å; S238-R240 PolarHBondContact O-N 2.77Å; R240-H242 WeakPolarHBondContact CD-CE1 3.33Å |
| 241 | L | 94.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.1 | 170.6 | -179.2 | 66.7 | 0 | 0 | 0 | 109 | L70 L154 F192 D243 P244 V246 F247 | L70-L241 HydrophobicContact CD1-CD1 4.06Å; L70-L241 HydrophobicContact CG-CD1 4.02Å; L154-L241 HydrophobicContact CD1-CB 3.62Å; F192-L241 HydrophobicContact CE2-CD2 3.79Å; F192-L241 HydrophobicContact CZ-CD2 4.28Å; L241-D243 WeakPolarHBondContact CD1-O 3.45Å; L241-P244 HydrophobicContact CD2-CB 4.41Å; L241-V246 HydrophobicContact CD1-CG1 4.18Å; L241-F247 HydrophobicContact CD1-CE2 3.54Å; L241-F247 HydrophobicContact CD1-CZ 3.94Å; L241-F247 HydrophobicContact CD2-CE2 3.8Å; L241-F247 HydrophobicContact CG-CE2 4.33Å |
| 242 | H | 93.6 | Very high | 92.6 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -109.8 | -38.5 | 175.7 | -60.6 | -70.4 | 0 | 0 | 0 | 111.8 | A69 S71 R240 | A69-H242 PolarHBondContact O-N 3.25Å; S71-H242 WeakPolarHBondContact CB-NE2 3.3Å; S71-H242 PolarHBondContact OG-NE2 2.92Å; R240-H242 WeakPolarHBondContact CD-CE1 3.33Å |
| 243 | D | 92.9 | Very high | 92.4 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -127.5 | 110.2 | -179 | -168.3 | -12.5 | 0 | 0 | 0 | 110.3 | A69 L241 D245 V246 | A69-D243 HydrophobicContact CB-CB 3.94Å; A69-D243 PolarHBondContact O-N 3.41Å; A69-D243 VanDerWaalsContact O-N 3.09Å; L241-D243 WeakPolarHBondContact CD1-O 3.45Å; D243-D245 PolarHBondContact O-N 3.02Å; D243-D245 VanDerWaalsContact OD1-CB 3.31Å; D243-D245 WeakPolarHBondContact OD1-CB 3.38Å; D243-D245 PolarHBondContact OD1-N 2.77Å; D243-V246 VanDerWaalsContact O-CG1 3.3Å; D243-V246 WeakPolarHBondContact O-CG1 3.5Å | ||
| 244 | P | 91.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -71.4 | -14.5 | 179 | 31.5 | -35.4 | 0 | 0 | 0 | 113.6 | F192 L241 V246 F247 | F192-P244 HydrophobicContact CE1-CB 3.76Å; F192-P244 HydrophobicContact CZ-CB 3.63Å; L241-P244 HydrophobicContact CD2-CB 4.41Å; P244-V246 PolarHBondContact O-N 2.71Å; P244-V246 VanDerWaalsContact O-N 3.09Å; P244-F247 VanDerWaalsContact O-CD2 3.31Å; P244-F247 WeakPolarHBondContact O-CD2 3.35Å; P244-F247 PolarHBondContact O-N 3.01Å; P244-F247 VanDerWaalsContact O-N 3.1Å |
| 245 | D | 91.4 | Very high | 92.1 | Very high | 126 Ų | 126 | 60.3 Ų | 60.3 | 67% | 0.674 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.5 | -178.1 | -68.5 | -5.5 | 0 | 0 | 0 | 112.1 | D243 F247 G248 | D243-D245 PolarHBondContact O-N 3.02Å; D243-D245 VanDerWaalsContact OD1-CB 3.31Å; D243-D245 WeakPolarHBondContact OD1-CB 3.38Å; D243-D245 PolarHBondContact OD1-N 2.77Å; D245-F247 PolarHBondContact O-N 3.17Å; D245-F247 VanDerWaalsContact O-N 3.1Å; D245-G248 PolarHBondContact O-N 3.22Å; D245-G248 VanDerWaalsContact O-N 3.1Å |
| 246 | V | 90.7 | Very high | 91.9 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -57.9 | -20.8 | 171.7 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | F66 A69 L70 L107 L241 D243 P244 | F66-V246 HydrophobicContact CB-CG2 3.81Å; F66-V246 HydrophobicContact CG-CG2 4.34Å; A69-V246 HydrophobicContact CB-CB 3.53Å; A69-V246 HydrophobicContact CB-CG1 3.97Å; A69-V246 HydrophobicContact CB-CG2 3.81Å; L70-V246 HydrophobicContact CD1-CG1 3.86Å; L70-V246 HydrophobicContact CD1-CG2 4.39Å; L107-V246 HydrophobicContact CD1-CG2 3.92Å; L241-V246 HydrophobicContact CD1-CG1 4.18Å; D243-V246 VanDerWaalsContact O-CG1 3.3Å; D243-V246 WeakPolarHBondContact O-CG1 3.5Å; P244-V246 PolarHBondContact O-N 2.71Å; P244-V246 VanDerWaalsContact O-N 3.09Å |
| 247 | F | 87.2 | Confident | 91.6 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -92.5 | -4.4 | 179.7 | -55.2 | -62.3 | 0 | 0 | 0 | 114.3 | L107 L189 F192 T194 V196 L241 P244 D245 | L107-F247 HydrophobicContact CD1-CE1 4.27Å; L107-F247 HydrophobicContact CD2-CE1 4.15Å; L189-F247 HydrophobicContact CD1-CE1 4.31Å; L189-F247 HydrophobicContact CD1-CE2 4.19Å; L189-F247 HydrophobicContact CD1-CZ 3.69Å; F192-F247 HydrophobicContact CB-CB 3.82Å; F192-F247 HydrophobicContact CB-CD1 4.44Å; F192-F247 HydrophobicContact CB-CD2 3.81Å; F192-F247 HydrophobicContact CB-CE2 4.5Å; F192-F247 HydrophobicContact CB-CG 3.77Å; F192-F247 HydrophobicContact CD1-CB 4.3Å; F192-F247 AromaticContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CG 4.43Å; F192-F247 AromaticContact CD2-CD2 3.51Å; F192-F247 HydrophobicContact CD2-CD2 3.51Å; F192-F247 AromaticContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CG 4.33Å; F192-F247 HydrophobicContact CD2-CZ 4.48Å; F192-F247 HydrophobicContact CE1-CD2 4.34Å; F192-F247 HydrophobicContact CE2-CD2 4.02Å; F192-F247 AromaticContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CG-CB 4.17Å; F192-F247 AromaticContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CD2 3.45Å; F192-F247 VanDerWaalsContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CE2 4.05Å; F192-F247 AromaticContact CG-CG 3.95Å; F192-F247 HydrophobicContact CG-CG 3.95Å; F192-F247 HydrophobicContact CZ-CD2 4.42Å; T194-F247 HydrophobicContact CG2-CD1 3.71Å; T194-F247 HydrophobicContact CG2-CE1 3.65Å; V196-F247 HydrophobicContact CG2-CE1 4.48Å; L241-F247 HydrophobicContact CD1-CE2 3.54Å; L241-F247 HydrophobicContact CD1-CZ 3.94Å; L241-F247 HydrophobicContact CD2-CE2 3.8Å; L241-F247 HydrophobicContact CG-CE2 4.33Å; P244-F247 VanDerWaalsContact O-CD2 3.31Å; P244-F247 WeakPolarHBondContact O-CD2 3.35Å; P244-F247 PolarHBondContact O-N 3.01Å; P244-F247 VanDerWaalsContact O-N 3.1Å; D245-F247 PolarHBondContact O-N 3.17Å; D245-F247 VanDerWaalsContact O-N 3.1Å |
| 248 | G | 77.4 | Confident | 91.3 | Very high | 133 Ų | 133 | 69.5 Ų | 69.5 | 100% | 1.371 | 42% | 0.416 | S | S | * | . | trans | 113.3 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D245 | D245-G248 PolarHBondContact O-N 3.22Å; D245-G248 VanDerWaalsContact O-N 3.1Å |
Retrieved 248 of 248 residues in 591.4 ms
(Link to these results)