| 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 | 38.5 | Very low | 41.4 | Very low | 244 Ų | 244 | 156.1 Ų | 156.1 | 100% | 1.202 | 84% | 0.84 | S | S | * | * | 0 | 97.1 | 0 | -75.9 | 178.8 | 171.5 | 0 | 0 | 108.3 | |||||
| 2 | I | 39.7 | Very low | 41.5 | Very low | 145 Ų | 145 | 159 Ų | 159 | 74% | 0.744 | 84% | 0.839 | S | S | * | * | trans | -124.9 | 104.7 | 173.7 | -63.7 | 175.3 | 0 | 0 | 0 | 105.7 | Y4 | I2-Y4 HydrophobicContact CG2-CE2 4.19Š| ||
| 3 | K | 38.7 | Very low | 41.5 | Very low | 212 Ų | 212 | 151.9 Ų | 151.9 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | trans | -83.7 | 111.5 | 177.1 | -76.7 | -177.2 | 175.5 | -179.3 | 0 | 107.9 | A5 | K3-A5 PolarHBondContact O-N 3.38Š| ||
| 4 | Y | 45.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 112.4 | 168.7 | -76.2 | -87.4 | 0 | 0 | 0 | 109 | I2 H6 | I2-Y4 HydrophobicContact CG2-CE2 4.19Å; Y4-H6 PolarHBondContact O-N 3.49Å | ||
| 5 | A | 42.4 | Very low | 41.5 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 101.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | K3 L7 | K3-A5 PolarHBondContact O-N 3.38Å; A5-L7 PolarHBondContact O-N 3.29Å | ||
| 6 | H | 42.8 | Very low | 41.4 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -81.4 | 112.8 | 170 | -85.1 | -69.1 | 0 | 0 | 0 | 109.6 | Y4 G8 | Y4-H6 PolarHBondContact O-N 3.49Å; H6-G8 PolarHBondContact O-N 3.42Å | ||
| 7 | L | 41.8 | Very low | 41.5 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -59.4 | 115.9 | 174.5 | -136.1 | 72.6 | 0 | 0 | 0 | 109.6 | A5 T9 | A5-L7 PolarHBondContact O-N 3.29Å; L7-T9 PolarHBondContact O-N 3.38Å | ||
| 8 | G | 41.2 | Very low | 41.5 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 110.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H6 T10 | H6-G8 PolarHBondContact O-N 3.42Å; G8-T10 PolarHBondContact O-N 3.31Å | ||
| 9 | T | 40.9 | Very low | 41.3 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -75.5 | 103.7 | 166.9 | 38.5 | 0 | 0 | 0 | 0 | 109.5 | L7 L11 | L7-T9 PolarHBondContact O-N 3.38Å; T9-L11 PolarHBondContact O-N 3.29Å | ||
| 10 | T | 41 | Very low | 41.2 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -72.1 | 105.5 | 168.3 | 26.1 | 0 | 0 | 0 | 0 | 109.6 | G8 F12 | G8-T10 PolarHBondContact O-N 3.31Å; T10-F12 PolarHBondContact O-N 3.22Å | ||
| 11 | L | 43.3 | Very low | 41.1 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -67 | 110.3 | 167.1 | -98.3 | 91.2 | 0 | 0 | 0 | 109.2 | T9 G13 | T9-L11 PolarHBondContact O-N 3.29Å; L11-G13 PolarHBondContact O-N 3.19Å; L11-G13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | F | 42.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 97.5 | 162.5 | -81.5 | -91.6 | 0 | 0 | 0 | 108.8 | T10 V14 | T10-F12 PolarHBondContact O-N 3.22Å; F12-V14 PolarHBondContact O-N 3.13Å | ||
| 13 | G | 41.5 | Very low | 41.8 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -69.4 | 104.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L11 V15 | L11-G13 PolarHBondContact O-N 3.19Å; L11-G13 VanDerWaalsContact O-N 3.13Å; G13-V15 PolarHBondContact O-N 3.1Å; G13-V15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | V | 43.3 | Very low | 42.5 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -71.7 | 99.9 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | F12 W16 | F12-V14 PolarHBondContact O-N 3.13Å; V14-W16 PolarHBondContact O-N 3.06Å | ||
| 15 | V | 40.1 | Very low | 43.5 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -71.2 | 98.7 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | G13 I17 | G13-V15 PolarHBondContact O-N 3.1Å; G13-V15 VanDerWaalsContact O-N 3.1Å; V15-I17 VanDerWaalsContact C-N 3.29Å; V15-I17 HydrophobicContact CG1-CG1 3.94Å; V15-I17 PolarHBondContact O-N 2.98Å | ||
| 16 | W | 40.5 | Very low | 45.7 | Very low | 229 Ų | 229 | 117.2 Ų | 117.2 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -67.4 | 93.8 | 161.8 | -77.2 | 85.2 | 0 | 0 | 0 | 107.7 | V14 A18 | V14-W16 PolarHBondContact O-N 3.06Å; W16-A18 PolarHBondContact O-N 2.82Å | ||
| 17 | I | 41.6 | Very low | 48.2 | Very low | 123 Ų | 123 | 109.1 Ų | 109.1 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | trans | -68.1 | 93.1 | 159.9 | -58.6 | 177.8 | 0 | 0 | 0 | 104.8 | V15 H19 | V15-I17 VanDerWaalsContact C-N 3.29Å; V15-I17 HydrophobicContact CG1-CG1 3.94Å; V15-I17 PolarHBondContact O-N 2.98Å; I17-H19 PolarHBondContact O-N 2.9Å | ||
| 18 | A | 42.5 | Very low | 50.9 | Low | 78 Ų | 78 | 102 Ų | 102 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | trans | -58.8 | 96.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | W16 V20 | W16-A18 PolarHBondContact O-N 2.82Å; A18-V20 PolarHBondContact O-N 2.73Å | ||
| 19 | H | 37.7 | Very low | 53.5 | Low | 167 Ų | 167 | 98.5 Ų | 98.5 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | trans | -58.8 | 87 | 149.7 | -75 | -67.2 | 0 | 0 | 0 | 104.5 | I17 A21 | I17-H19 PolarHBondContact O-N 2.9Å; H19-A21 PolarHBondContact O-N 2.8Å | ||
| 20 | V | 39.9 | Very low | 56.2 | Low | 124 Ų | 124 | 93.2 Ų | 93.2 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | trans | -52.1 | 102.7 | 148.8 | -176.9 | 0 | 0 | 0 | 0 | 101.5 | A18 S22 | A18-V20 PolarHBondContact O-N 2.73Å; V20-S22 PolarHBondContact O-N 2.75Å | ||
| 21 | A | 38.3 | Very low | 58.7 | Low | 81 Ų | 81 | 88.4 Ų | 88.4 | 67% | 0.669 | 50% | 0.498 | S | S | * | . | trans | -56.5 | 93.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 102.5 | H19 M23 | H19-A21 PolarHBondContact O-N 2.8Å; A21-M23 PolarHBondContact O-N 2.66Å | ||
| 22 | S | 42.7 | Very low | 61.1 | Low | 97 Ų | 97 | 80.6 Ų | 80.6 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | trans | -46.4 | 104.6 | 158.4 | 168.9 | 0 | 0 | 0 | 0 | 101.7 | V20 S24 | V20-S22 PolarHBondContact O-N 2.75Å; S22-S24 PolarHBondContact O-N 2.49Å | ||
| 23 | M | 50 | Low | 63.5 | Low | 124 Ų | 124 | 77.6 Ų | 77.6 | 61% | 0.611 | 45% | 0.446 | S | S | * | . | trans | -63.9 | 90.5 | 173.1 | -69.7 | -162.1 | 94 | 0 | 0 | 101.8 | A21 T25 N35 | A21-M23 PolarHBondContact O-N 2.66Å; M23-T25 VanDerWaalsContact C-N 3.27Å; M23-T25 PolarHBondContact O-N 3.25Å; M23-N35 HydrophobicContact CE-CB 4.19Å | ||
| 24 | S | 52.6 | Low | 65.9 | Low | 65 Ų | 65 | 77.3 Ų | 77.3 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | trans | -58.1 | 100.1 | -174 | 170.1 | 0 | 0 | 0 | 0 | 105.9 | S22 D26 R30 | S22-S24 PolarHBondContact O-N 2.49Å; S24-D26 PolarHBondContact O-N 3.13Å; S24-R30 PolarHBondContact O-NH1 2.67Å; S24-R30 PolarHBondContact O-NH2 3.13Å | ||
| 25 | T | 67.4 | Low | 68.3 | Low | 30 Ų | 30 | 72.2 Ų | 72.2 | 18% | 0.184 | 40% | 0.402 | C | S | . | . | trans | -78.7 | 79.6 | 170.1 | 48.2 | 0 | 0 | 0 | 0 | 105.2 | M23 P97 | M23-T25 VanDerWaalsContact C-N 3.27Å; M23-T25 PolarHBondContact O-N 3.25Å; T25-P97 WeakPolarHBondContact O-CB 3.34Å; T25-P97 WeakPolarHBondContact O-CG 3.4Å | ||
| 26 | D | 88.1 | Confident | 70.8 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | trans | -91.6 | 158.4 | 177.5 | -142 | -38.4 | 0 | 0 | 0 | 111.5 | S24 L28 R30 N128 N131 | S24-D26 PolarHBondContact O-N 3.13Å; D26-L28 PolarHBondContact O-N 2.93Å; D26-R30 PolarHBondContact O-NH2 2.79Å; D26-N128 PolarHBondContact OD1-ND2 3.38Å; D26-N128 PolarHBondContact OD1-OD1 2.99Å; D26-N131 WeakPolarHBondContact OD1-CB 3.23Å; D26-N131 PolarHBondContact OD1-ND2 2.77Å; D26-N131 PolarHBondContact OD2-ND2 2.87Å | ||
| 27 | Y | 95.9 | Very high | 73.4 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -75.5 | 70.6 | 176.7 | -70.3 | -64 | 0 | 0 | 0 | 111.6 | P97 S107 R109 M126 S127 N128 N131 A132 F133 | Y27-P97 HydrophobicContact CD1-CB 4.1Å; Y27-P97 HydrophobicContact CD1-CG 4.36Å; Y27-P97 HydrophobicContact CE1-CB 3.77Å; Y27-P97 HydrophobicContact CE1-CG 4.47Å; Y27-S107 VanDerWaalsContact CE2-CB 3.46Å; Y27-S107 WeakPolarHBondContact CE2-OG 3.25Å; Y27-R109 PolarHBondContact OH-NH2 2.85Å; Y27-M126 HydrophobicContact CD1-CB 3.39Å; Y27-M126 HydrophobicContact CD1-CG 4.3Å; Y27-M126 HydrophobicContact CE1-CB 3.58Å; Y27-M126 HydrophobicContact CE1-CG 4.14Å; Y27-M126 HydrophobicContact CE1-SD 4.36Å; Y27-M126 HydrophobicContact CG-CB 4.06Å; Y27-S127 VanDerWaalsContact CD2-C 3.48Å; Y27-N128 HydrophobicContact CD2-CB 3.81Å; Y27-N128 HydrophobicContact CE2-CB 4.22Å; Y27-N131 CarbonylContact O-C 3.59Å; Y27-N131 WeakPolarHBondContact O-CB 3.48Å; Y27-A132 CarbonylContact O-C 3.59Å; Y27-A132 WeakPolarHBondContact O-CA 3.16Å; Y27-A132 PolarHBondContact O-N 2.79Å; Y27-F133 HydrophobicContact CD1-CD1 4.21Å; Y27-F133 AromaticContact CD1-CE1 3.71Å; Y27-F133 HydrophobicContact CD1-CE1 3.71Å; Y27-F133 PolarHBondContact O-N 3.29Å |
| 28 | L | 97.1 | Very high | 76 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -127.6 | 150.7 | 171.7 | -68.6 | 171.8 | 0 | 0 | 0 | 109.6 | D26 R30 N131 K223 L225 | D26-L28 PolarHBondContact O-N 2.93Å; L28-R30 PolarHBondContact O-N 3.17Å; L28-N131 HydrophobicContact CD2-CB 3.85Å; L28-N131 HydrophobicContact CG-CB 3.93Å; L28-K223 HydrophobicContact CD2-CD 3.73Å; L28-L225 HydrophobicContact CD1-CD2 4.28Å |
| 29 | C | 97.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -59.5 | 135.1 | 160.8 | -55.4 | 0 | 0 | 0 | 0 | 109 | G37 V38 F41 C164 V165 S166 | C29-G37 CarbonylContact O-C 3.56Å; C29-G37 WeakPolarHBondContact O-CA 3.2Å; C29-V38 HydrophobicContact CB-CG2 4.06Å; C29-V38 WeakPolarHBondContact O-CG2 3.04Å; C29-V38 PolarHBondContact O-N 2.74Å; C29-F41 HydrophobicContact CB-CD1 3.62Å; C29-F41 HydrophobicContact CB-CE1 3.7Å; C29-C164 HydrophobicContact CB-CB 3.93Å; C29-C164 WeakPolarHBondContact CB-SG 3.4Å; C29-C164 WeakPolarHBondContact SG-CB 3.16Å; C29-C164 CovalentContact SG-SG 2.04Å; C29-C164 PolarHBondContact SG-SG 2.82Å; C29-V165 VanDerWaalsContact SG-CA 3.57Å; C29-V165 PolarHBondContact SG-N 2.86Å; C29-S166 WeakPolarHBondContact CB-OG 3.41Å; C29-S166 PolarHBondContact N-OG 2.83Å; C29-S166 PolarHBondContact SG-N 2.86Å; C29-S166 VanDerWaalsContact SG-N 3.39Å | ||
| 30 | R | 96.1 | Very high | 81.4 | Confident | 15 Ų | 15 | 47 Ų | 47 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 145 | -174.5 | -72.4 | 176.9 | -176 | -85.4 | -8.9 | 113.1 | S24 D26 L28 N35 K36 M90 R93 T94 | S24-R30 PolarHBondContact O-NH1 2.67Å; S24-R30 PolarHBondContact O-NH2 3.13Å; D26-R30 PolarHBondContact O-NH2 2.79Å; L28-R30 PolarHBondContact O-N 3.17Å; R30-N35 PolarHBondContact NH1-O 2.96Å; R30-K36 WeakPolarHBondContact CA-O 3.23Å; R30-M90 WeakPolarHBondContact O-CA 2.93Å; R30-M90 VanDerWaalsContact O-CB 3.25Å; R30-M90 WeakPolarHBondContact O-CB 3.04Å; R30-R93 HydrophobicContact CB-CB 3.85Å; R30-R93 WeakPolarHBondContact CD-O 3.29Å; R30-T94 PolarHBondContact N-OG1 2.84Å |
| 31 | E | 94.3 | Very high | 84.2 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | trans | -87.5 | 161.8 | 170.7 | 65.8 | 70.3 | -139.1 | 0 | 0 | 112.9 | E33 S34 N35 K36 V38 M90 R93 | E31-E33 PolarHBondContact OE2-N 3.26Å; E31-S34 VanDerWaalsContact CD-N 3.34Å; E31-S34 WeakPolarHBondContact OE1-CA 3.39Å; E31-S34 WeakPolarHBondContact OE1-CB 3.24Å; E31-S34 PolarHBondContact OE1-N 3.21Å; E31-S34 PolarHBondContact OE1-OG 2.71Å; E31-S34 PolarHBondContact OE2-N 2.99Å; E31-S34 VanDerWaalsContact OE2-N 3.13Å; E31-N35 WeakPolarHBondContact O-CA 3.41Å; E31-N35 PolarHBondContact OE1-N 3.45Å; E31-K36 HydrophobicContact CG-CB 4.47Å; E31-K36 PolarHBondContact N-O 3.11Å; E31-K36 PolarHBondContact OE1-N 3.08Å; E31-V38 HydrophobicContact CB-CG1 3.79Å; E31-V38 HydrophobicContact CG-CG1 3.81Å; E31-M90 HydrophobicContact CB-CE 4.25Å; E31-R93 VanDerWaalsContact O-CD 3.31Å; E31-R93 WeakPolarHBondContact O-CD 3.21Å | ||
| 32 | Q | 94.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -47.1 | -165.8 | -180 | 160 | -73.6 | 0 | 0 | 113.3 | S80 M82 Q89 M90 R93 | Q32-S80 PolarHBondContact NE2-OG 3.3Å; Q32-S80 PolarHBondContact OE1-OG 2.86Å; Q32-S80 VanDerWaalsContact OE1-OG 3.11Å; Q32-M82 HydrophobicContact CG-CE 3.81Å; Q32-Q89 HydrophobicContact CG-CB 4.48Å; Q32-Q89 VanDerWaalsContact OE1-CB 3.28Å; Q32-M90 HydrophobicContact CB-CG 3.69Å; Q32-M90 HydrophobicContact CB-SD 4.45Å; Q32-R93 PolarHBondContact O-NE 2.79Å; Q32-R93 PolarHBondContact O-NH2 3.05Å |
| 33 | E | 91.6 | Very high | 89.8 | Confident | 127 Ų | 127 | 32.6 Ų | 32.6 | 59% | 0.593 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -47.9 | -161.4 | -59.8 | -56.6 | 144.9 | 0 | 0 | 111.2 | E31 | E31-E33 PolarHBondContact OE2-N 3.26Š|
| 34 | S | 91.8 | Very high | 92.1 | Very high | 61 Ų | 61 | 26.7 Ų | 26.7 | 43% | 0.427 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -0 | -177.9 | 80.1 | 0 | 0 | 0 | 0 | 114.9 | E31 K36 | E31-S34 VanDerWaalsContact CD-N 3.34Å; E31-S34 WeakPolarHBondContact OE1-CA 3.39Å; E31-S34 WeakPolarHBondContact OE1-CB 3.24Å; E31-S34 PolarHBondContact OE1-N 3.21Å; E31-S34 PolarHBondContact OE1-OG 2.71Å; E31-S34 PolarHBondContact OE2-N 2.99Å; E31-S34 VanDerWaalsContact OE2-N 3.13Å; S34-K36 PolarHBondContact O-N 2.91Å; S34-K36 VanDerWaalsContact OG-CD 3.26Å; S34-K36 WeakPolarHBondContact OG-CD 3.24Å; S34-K36 WeakPolarHBondContact OG-CG 3.2Å |
| 35 | N | 93.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | trans | 59.3 | 16.6 | -175.5 | -165.1 | 43.4 | 0 | 0 | 0 | 114.3 | M23 R30 E31 R93 | M23-N35 HydrophobicContact CE-CB 4.19Å; R30-N35 PolarHBondContact NH1-O 2.96Å; E31-N35 WeakPolarHBondContact O-CA 3.41Å; E31-N35 PolarHBondContact OE1-N 3.45Å; N35-R93 VanDerWaalsContact CB-NH1 3.33Å; N35-R93 WeakPolarHBondContact OD1-CD 3.42Å; N35-R93 VanDerWaalsContact OD1-CG 3.31Å; N35-R93 WeakPolarHBondContact OD1-CG 3.35Å; N35-R93 PolarHBondContact OD1-NH1 2.88Å | ||
| 36 | K | 93.7 | Very high | 95.6 | Very high | 141 Ų | 141 | 22.3 Ų | 22.3 | 61% | 0.613 | 12% | 0.117 | S | C | * | . | trans | -76 | 150.5 | -178.4 | -74.7 | 178.6 | -172 | 175.5 | 0 | 110.6 | R30 E31 S34 | R30-K36 WeakPolarHBondContact CA-O 3.23Å; E31-K36 HydrophobicContact CG-CB 4.47Å; E31-K36 PolarHBondContact N-O 3.11Å; E31-K36 PolarHBondContact OE1-N 3.08Å; S34-K36 PolarHBondContact O-N 2.91Å; S34-K36 VanDerWaalsContact OG-CD 3.26Å; S34-K36 WeakPolarHBondContact OG-CD 3.24Å; S34-K36 WeakPolarHBondContact OG-CG 3.2Å | ||
| 37 | G | 94.7 | Very high | 96 | Very high | 28 Ų | 28 | 21.5 Ų | 21.5 | 29% | 0.289 | 11% | 0.114 | S | C | . | . | B | Isolated β-bridge | trans | -63.2 | 139.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C29 L225 | C29-G37 CarbonylContact O-C 3.56Å; C29-G37 WeakPolarHBondContact O-CA 3.2Å; G37-L225 VanDerWaalsContact C-CD1 3.49Å; G37-L225 WeakPolarHBondContact O-CD1 3.25Å |
| 38 | V | 95.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | trans | -124.4 | 155.2 | 173.3 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | C29 E31 W40 F41 N69 A71 S166 | C29-V38 HydrophobicContact CB-CG2 4.06Å; C29-V38 WeakPolarHBondContact O-CG2 3.04Å; C29-V38 PolarHBondContact O-N 2.74Å; E31-V38 HydrophobicContact CB-CG1 3.79Å; E31-V38 HydrophobicContact CG-CG1 3.81Å; V38-W40 VanDerWaalsContact C-N 3.26Å; V38-W40 PolarHBondContact O-N 2.82Å; V38-F41 HydrophobicContact CG2-CB 4.4Å; V38-F41 HydrophobicContact CG2-CD1 4.27Å; V38-N69 HydrophobicContact CG1-CB 4.42Å; V38-N69 HydrophobicContact CG2-CB 4.37Å; V38-A71 HydrophobicContact CG1-CB 4.36Å; V38-S166 WeakPolarHBondContact O-CB 3.18Å; V38-S166 PolarHBondContact O-OG 3.21Å | ||
| 39 | Q | 96.8 | Very high | 95.5 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -68.7 | -34.4 | -178 | -59.7 | 179.5 | -80.8 | 0 | 0 | 110.7 | S70 S166 T222 K223 L225 K229 | Q39-S70 PolarHBondContact N-OG 3.02Å; Q39-S166 PolarHBondContact O-N 2.82Å; Q39-T222 HydrophobicContact CB-CG2 4.42Å; Q39-T222 PolarHBondContact NE2-OG1 3.45Å; Q39-K223 PolarHBondContact NE2-O 3.12Å; Q39-L225 HydrophobicContact CG-CB 4.42Å; Q39-L225 HydrophobicContact CG-CD1 4.16Å; Q39-L225 HydrophobicContact CG-CG 4.3Å; Q39-K229 PolarHBondContact NE2-O 3.28Å; Q39-K229 PolarHBondContact OE1-O 2.69Å |
| 40 | W | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 158 | 174.3 | 54.8 | -96.3 | 0 | 0 | 0 | 110.1 | V38 L68 N69 S70 A73 F163 C164 V165 I337 L342 | V38-W40 VanDerWaalsContact C-N 3.26Å; V38-W40 PolarHBondContact O-N 2.82Å; W40-L68 HydrophobicContact CZ3-CB 4.06Å; W40-N69 WeakPolarHBondContact O-CA 3.25Å; W40-S70 PolarHBondContact O-N 2.48Å; W40-A73 HydrophobicContact CH2-CB 3.52Å; W40-A73 HydrophobicContact CZ2-CB 4.17Å; W40-A73 HydrophobicContact CZ3-CB 4.45Å; W40-F163 HydrophobicContact CB-CE2 4.09Å; W40-C164 CarbonylContact C-O 3.54Å; W40-C164 WeakPolarHBondContact CA-O 3.16Å; W40-C164 VanDerWaalsContact CB-O 3.26Å; W40-C164 WeakPolarHBondContact CB-O 3.42Å; W40-V165 HydrophobicContact CB-CG2 4.31Å; W40-I337 HydrophobicContact CD2-CD1 4.23Å; W40-I337 HydrophobicContact CG-CD1 3.93Å; W40-L342 HydrophobicContact CE3-CD1 4.14Å; W40-L342 HydrophobicContact CH2-CB 3.76Å; W40-L342 HydrophobicContact CH2-CD1 3.74Å; W40-L342 HydrophobicContact CH2-CG 4.09Å; W40-L342 HydrophobicContact CZ2-CB 4.18Å; W40-L342 HydrophobicContact CZ2-CD1 4.22Å; W40-L342 HydrophobicContact CZ3-CB 4.49Å; W40-L342 HydrophobicContact CZ3-CD1 3.71Å; W40-L342 HydrophobicContact CZ3-CG 4.33Å |
| 41 | F | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 161.4 | 160.8 | 69.7 | -107.7 | 0 | 0 | 0 | 110.9 | C29 V38 I43 L68 N69 M90 L91 T94 L135 F163 C164 | C29-F41 HydrophobicContact CB-CD1 3.62Å; C29-F41 HydrophobicContact CB-CE1 3.7Å; V38-F41 HydrophobicContact CG2-CB 4.4Å; V38-F41 HydrophobicContact CG2-CD1 4.27Å; F41-I43 HydrophobicContact CD2-CD1 4.09Å; F41-I43 HydrophobicContact CD2-CG1 3.89Å; F41-I43 HydrophobicContact CE2-CD1 3.64Å; F41-I43 HydrophobicContact CE2-CG1 3.93Å; F41-I43 HydrophobicContact CZ-CD1 4.46Å; F41-L68 CarbonylContact C-O 3.58Å; F41-L68 VanDerWaalsContact CA-O 3.25Å; F41-L68 WeakPolarHBondContact CA-O 3.23Å; F41-L68 WeakPolarHBondContact CB-O 3.33Å; F41-N69 HydrophobicContact CB-CB 3.84Å; F41-M90 HydrophobicContact CB-CE 3.29Å; F41-M90 HydrophobicContact CD1-CE 4.02Å; F41-M90 HydrophobicContact CD2-CE 4.31Å; F41-M90 HydrophobicContact CG-CE 3.65Å; F41-L91 HydrophobicContact CZ-CD1 4.44Å; F41-T94 HydrophobicContact CE1-CG2 4.33Å; F41-T94 VanDerWaalsContact CE1-OG1 3.3Å; F41-T94 WeakPolarHBondContact CE1-OG1 3.33Å; F41-L135 HydrophobicContact CZ-CD1 4.46Å; F41-F163 WeakPolarHBondContact O-CD2 3.31Å; F41-C164 HydrophobicContact CD1-CB 3.74Å; F41-C164 HydrophobicContact CD2-CB 3.99Å; F41-C164 HydrophobicContact CE1-CB 3.31Å; F41-C164 VanDerWaalsContact CE1-SG 3.57Å; F41-C164 HydrophobicContact CE2-CB 3.62Å; F41-C164 HydrophobicContact CG-CB 4.03Å; F41-C164 HydrophobicContact CZ-CB 3.25Å; F41-C164 PolarHBondContact N-O 3.26Å; F41-C164 PolarHBondContact O-N 2.83Å |
| 42 | L | 98.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.4 | 172.5 | -171.4 | 164.9 | 0 | 0 | 0 | 108.6 | Y67 L68 W77 L161 L162 F163 W316 F346 | L42-Y67 CarbonylContact O-C 3.49Å; L42-Y67 WeakPolarHBondContact O-CA 3.48Å; L42-Y67 WeakPolarHBondContact O-CB 3.44Å; L42-L68 HydrophobicContact CB-CB 4.47Å; L42-L68 PolarHBondContact N-O 3.15Å; L42-L68 PolarHBondContact O-N 3.28Å; L42-W77 HydrophobicContact CD2-CH2 3.38Å; L42-W77 HydrophobicContact CD2-CZ3 3.7Å; L42-L161 HydrophobicContact CD1-CD1 4.09Å; L42-L161 HydrophobicContact CD2-CD1 3.33Å; L42-L161 HydrophobicContact CG-CD1 3.73Å; L42-L162 CarbonylContact C-O 3.32Å; L42-L162 VanDerWaalsContact CA-O 3.29Å; L42-L162 WeakPolarHBondContact CA-O 3.19Å; L42-F163 HydrophobicContact CB-CD2 4.42Å; L42-W316 HydrophobicContact CD1-CD2 4.48Å; L42-W316 HydrophobicContact CD1-CE3 4.41Å; L42-W316 HydrophobicContact CD1-CH2 3.31Å; L42-W316 HydrophobicContact CD1-CZ2 3.38Å; L42-W316 HydrophobicContact CD1-CZ3 3.87Å; L42-W316 HydrophobicContact CG-CH2 4.31Å; L42-F346 HydrophobicContact CD1-CE2 3.68Å; L42-F346 HydrophobicContact CD1-CZ 3.68Å; L42-F346 HydrophobicContact CD2-CZ 4.35Å |
| 43 | I | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.7 | 172.4 | -68.5 | 169.3 | 0 | 0 | 0 | 108.1 | F41 K45 F65 F66 I84 M90 L91 L162 | F41-I43 HydrophobicContact CD2-CD1 4.09Å; F41-I43 HydrophobicContact CD2-CG1 3.89Å; F41-I43 HydrophobicContact CE2-CD1 3.64Å; F41-I43 HydrophobicContact CE2-CG1 3.93Å; F41-I43 HydrophobicContact CZ-CD1 4.46Å; I43-K45 HydrophobicContact CG2-CB 4.37Å; I43-F65 HydrophobicContact CB-CD2 4.45Å; I43-F65 HydrophobicContact CD1-CE2 4.44Å; I43-F65 HydrophobicContact CG1-CD2 4.23Å; I43-F65 HydrophobicContact CG1-CE2 4.29Å; I43-F65 HydrophobicContact CG2-CB 3.83Å; I43-F65 HydrophobicContact CG2-CD2 3.62Å; I43-F65 HydrophobicContact CG2-CE2 4.4Å; I43-F65 HydrophobicContact CG2-CG 3.91Å; I43-F66 WeakPolarHBondContact CA-O 3.48Å; I43-I84 HydrophobicContact CG2-CD1 3.93Å; I43-M90 HydrophobicContact CD1-CB 4.28Å; I43-L91 HydrophobicContact CD1-CB 3.8Å; I43-L162 HydrophobicContact CB-CB 4.24Å; I43-L162 HydrophobicContact CB-CD1 4.06Å; I43-L162 HydrophobicContact CG2-CD1 3.83Å; I43-L162 PolarHBondContact N-O 2.94Å; I43-L162 PolarHBondContact O-N 3.15Å |
| 44 | Y | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 95.2 | 166.8 | -144.8 | -57.1 | 0 | 0 | 0 | 107.6 | M46 F65 F66 W77 A159 L161 W262 L287 L296 D301 S303 W305 | Y44-M46 HydrophobicContact CD1-SD 4.26Å; Y44-F65 CarbonylContact O-C 3.46Å; Y44-F65 VanDerWaalsContact O-CA 3.25Å; Y44-F65 WeakPolarHBondContact O-CA 3.47Å; Y44-F65 WeakPolarHBondContact O-CB 3.31Å; Y44-F66 PolarHBondContact N-O 3.05Å; Y44-F66 PolarHBondContact O-N 3.05Å; Y44-W77 AromaticContact CD2-CH2 3.85Å; Y44-W77 HydrophobicContact CD2-CH2 3.85Å; Y44-W77 HydrophobicContact CD2-CZ2 4.33Å; Y44-W77 HydrophobicContact CG-CH2 4.42Å; Y44-A159 HydrophobicContact CE1-CB 4.05Å; Y44-L161 HydrophobicContact CD2-CD1 4.09Å; Y44-W262 PolarHBondContact OH-NE1 3.24Å; Y44-L287 HydrophobicContact CD1-CD1 4.34Å; Y44-L287 HydrophobicContact CD2-CD1 4.34Å; Y44-L287 HydrophobicContact CG-CD1 3.95Å; Y44-L296 HydrophobicContact CD1-CD2 4.15Å; Y44-L296 HydrophobicContact CE1-CD1 4.11Å; Y44-L296 HydrophobicContact CE1-CD2 3.49Å; Y44-L296 VanDerWaalsContact CE1-CD2 3.49Å; Y44-L296 HydrophobicContact CE1-CG 4.46Å; Y44-L296 HydrophobicContact CE2-CD1 4.13Å; Y44-D301 PolarHBondContact OH-OD2 2.85Å; Y44-S303 PolarHBondContact OH-OG 2.79Å; Y44-W305 AromaticContact CE2-NE1 3.88Å |
| 45 | K | 98.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.6 | 175.5 | 178.7 | -89.2 | 173.1 | -162.4 | 0 | 107.5 | I43 G62 F65 I84 W150 A155 R156 K158 A159 Q160 L162 | I43-K45 HydrophobicContact CG2-CB 4.37Å; K45-G62 WeakPolarHBondContact CE-O 3.21Å; K45-G62 PolarHBondContact NZ-O 3.35Å; K45-F65 HydrophobicContact CB-CB 4.19Å; K45-I84 HydrophobicContact CB-CD1 3.91Å; K45-I84 HydrophobicContact CG-CD1 3.95Å; K45-I84 HydrophobicContact CG-CG2 4.27Å; K45-W150 HydrophobicContact CB-CZ2 4.44Å; K45-W150 HydrophobicContact CD-CZ2 3.9Å; K45-W150 HydrophobicContact CG-CZ2 3.87Å; K45-A155 WeakPolarHBondContact CD-O 3.35Å; K45-A155 WeakPolarHBondContact CE-O 3.44Å; K45-A155 PolarHBondContact NZ-O 2.91Å; K45-R156 PolarHBondContact NZ-O 3.04Å; K45-K158 PolarHBondContact NZ-O 3.04Å; K45-A159 CarbonylContact O-C 3.55Å; K45-A159 WeakPolarHBondContact O-CA 3.45Å; K45-A159 VanDerWaalsContact O-CB 3.32Å; K45-A159 WeakPolarHBondContact O-CB 3.25Å; K45-Q160 HydrophobicContact CB-CB 4.21Å; K45-Q160 HydrophobicContact CD-CB 4.15Å; K45-Q160 HydrophobicContact CD-CG 3.99Å; K45-Q160 PolarHBondContact N-O 3.2Å; K45-Q160 PolarHBondContact O-N 3.19Å; K45-L162 HydrophobicContact CB-CD1 4.39Å |
| 46 | M | 96.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 153 | -174.3 | -60.9 | -56.1 | -63.7 | 0 | 0 | 111.6 | Y44 F59 G64 F66 L287 T294 L296 | Y44-M46 HydrophobicContact CD1-SD 4.26Å; M46-F59 HydrophobicContact CB-CD1 4.24Å; M46-F59 HydrophobicContact CB-CE1 4.33Å; M46-F59 HydrophobicContact CG-CD1 4.14Å; M46-F59 HydrophobicContact CG-CE1 3.78Å; M46-G64 PolarHBondContact N-O 3.36Å; M46-F66 HydrophobicContact CG-CD2 3.79Å; M46-F66 HydrophobicContact CG-CE2 3.84Å; M46-F66 HydrophobicContact SD-CD2 3.74Å; M46-F66 HydrophobicContact SD-CE2 3.97Å; M46-L287 HydrophobicContact SD-CD1 3.75Å; M46-T294 HydrophobicContact CE-CG2 3.55Å; M46-L296 HydrophobicContact CE-CD2 3.43Å; M46-L296 VanDerWaalsContact CE-CD2 3.43Å; M46-L296 HydrophobicContact CE-CG 4.29Å; M46-L296 HydrophobicContact SD-CD2 3.96Å |
| 47 | A | 95.9 | Very high | 88.6 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 155.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q49 D157 A159 | A47-Q49 PolarHBondContact O-N 3.17Å; A47-Q49 VanDerWaalsContact O-N 3.12Å; A47-Q49 PolarHBondContact O-NE2 2.75Å; A47-D157 WeakPolarHBondContact CA-O 3.48Å; A47-A159 HydrophobicContact CB-CB 4.35Å |
| 48 | K | 94.3 | Very high | 88.6 | Confident | 106 Ų | 106 | 39 Ų | 39 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -57 | 121.2 | 174.8 | -172.5 | -178.2 | -177.7 | -176 | 0 | 109 | A60 D157 | K48-A60 WeakPolarHBondContact CE-O 3.26Å; K48-A60 WeakPolarHBondContact CG-O 2.8Å; K48-D157 PolarHBondContact N-O 3.41Å |
| 49 | Q | 89.1 | Confident | 88.5 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 144.2 | -177.2 | -60.7 | -63.1 | -57.3 | 0 | 0 | 110 | A47 V51 F53 F59 A60 | A47-Q49 PolarHBondContact O-N 3.17Å; A47-Q49 VanDerWaalsContact O-N 3.12Å; A47-Q49 PolarHBondContact O-NE2 2.75Å; Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 2.96Å; Q49-F53 HydrophobicContact CB-CE2 4.09Å; Q49-F53 HydrophobicContact CG-CE2 3.84Å; Q49-F59 HydrophobicContact CB-CB 4.24Å; Q49-F59 HydrophobicContact CG-CB 3.95Å; Q49-F59 HydrophobicContact CG-CD1 4.36Å; Q49-F59 PolarHBondContact N-O 3.21Å; Q49-A60 WeakPolarHBondContact O-CA 3.46Å |
| 50 | P | 82.6 | Confident | 88.3 | Confident | 124 Ų | 124 | 39 Ų | 39 | 81% | 0.805 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -69.8 | -26.2 | -179.2 | 27.2 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 51 | V | 75 | Confident | 88.1 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -136.3 | 143 | 179.6 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | Q49 | Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 2.96Å |
| 52 | D | 66 | Low | 88 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | trans | -73.5 | 132.6 | 171.3 | -79.2 | -56.9 | 0 | 0 | 0 | 111.3 | D54 G57 A60 | D52-D54 VanDerWaalsContact CB-O 3.23Å; D52-D54 WeakPolarHBondContact CB-O 3.09Å; D52-G57 VanDerWaalsContact CG-CA 3.43Å; D52-G57 VanDerWaalsContact OD1-CA 3.25Å; D52-G57 WeakPolarHBondContact OD1-CA 3.32Å; D52-G57 VanDerWaalsContact OD2-CA 3.24Å; D52-G57 WeakPolarHBondContact OD2-CA 3.35Å; D52-A60 HydrophobicContact CB-CB 4.23Å; D52-A60 WeakPolarHBondContact OD1-CB 3.09Å; D52-A60 PolarHBondContact OD1-N 3.09Å; D52-A60 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 53 | F | 66.8 | Low | 87.9 | Confident | 100 Ų | 100 | 44.9 Ų | 44.9 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -78.5 | -7.6 | 169.6 | -58.8 | -79.8 | 0 | 0 | 0 | 112.6 | Q49 F59 T294 | Q49-F53 HydrophobicContact CB-CE2 4.09Å; Q49-F53 HydrophobicContact CG-CE2 3.84Å; F53-F59 HydrophobicContact CD2-CB 4.47Å; F53-T294 HydrophobicContact CE2-CG2 4.22Å; F53-T294 HydrophobicContact CZ-CG2 4.45Å |
| 54 | D | 68.5 | Low | 87.8 | Confident | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -151.2 | 162 | 179.2 | 57.8 | 54 | 0 | 0 | 0 | 112.2 | D52 S56 K79 | D52-D54 VanDerWaalsContact CB-O 3.23Å; D52-D54 WeakPolarHBondContact CB-O 3.09Å; D54-S56 PolarHBondContact O-N 3.22Å; D54-S56 VanDerWaalsContact OD1-CB 3.24Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 3.46Å; D54-S56 VanDerWaalsContact OD1-N 3.13Å; D54-S56 PolarHBondContact OD1-OG 3.44Å; D54-K79 WeakPolarHBondContact OD2-CE 3.45Å; D54-K79 IonicContact OD2-NZ 2.83Å; D54-K79 PolarHBondContact OD2-NZ 3.31Å |
| 55 | A | 73.7 | Confident | 87.7 | Confident | 118 Ų | 118 | 45 Ų | 45 | 98% | 0.975 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 56 | S | 84.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 45 Ų | 45 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.5 | -171.2 | 78.5 | 0 | 0 | 0 | 0 | 114.3 | D54 I58 | D54-S56 PolarHBondContact O-N 3.22Å; D54-S56 VanDerWaalsContact OD1-CB 3.24Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 3.46Å; D54-S56 VanDerWaalsContact OD1-N 3.13Å; D54-S56 PolarHBondContact OD1-OG 3.44Å; S56-I58 PolarHBondContact O-N 3.41Å; S56-I58 WeakPolarHBondContact OG-CB 3.44Å; S56-I58 VanDerWaalsContact OG-CD1 3.29Å; S56-I58 WeakPolarHBondContact OG-CD1 3.21Å; S56-I58 WeakPolarHBondContact OG-CG1 3.49Å; S56-I58 PolarHBondContact OG-N 2.81Å |
| 57 | G | 90.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | 78.7 | -6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D52 F59 N61 | D52-G57 VanDerWaalsContact CG-CA 3.43Å; D52-G57 VanDerWaalsContact OD1-CA 3.25Å; D52-G57 WeakPolarHBondContact OD1-CA 3.32Å; D52-G57 VanDerWaalsContact OD2-CA 3.24Å; D52-G57 WeakPolarHBondContact OD2-CA 3.35Å; G57-F59 PolarHBondContact O-N 2.9Å; G57-N61 WeakPolarHBondContact O-CB 3.12Å; G57-N61 PolarHBondContact O-N 3.05Å; G57-N61 PolarHBondContact O-ND2 3.46Å | ||
| 58 | I | 94.5 | Very high | 87.9 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -42.3 | -164.6 | -73 | 168.1 | 0 | 0 | 0 | 111.5 | S56 G62 H63 G64 K81 | S56-I58 PolarHBondContact O-N 3.41Å; S56-I58 WeakPolarHBondContact OG-CB 3.44Å; S56-I58 VanDerWaalsContact OG-CD1 3.29Å; S56-I58 WeakPolarHBondContact OG-CD1 3.21Å; S56-I58 WeakPolarHBondContact OG-CG1 3.49Å; S56-I58 PolarHBondContact OG-N 2.81Å; I58-G62 PolarHBondContact O-N 2.59Å; I58-H63 HydrophobicContact CG2-CB 4.33Å; I58-H63 CarbonylContact O-C 3.52Å; I58-H63 WeakPolarHBondContact O-CA 3.39Å; I58-H63 PolarHBondContact O-N 3.43Å; I58-G64 VanDerWaalsContact CG2-CA 3.41Å; I58-G64 PolarHBondContact O-N 2.89Å; I58-K81 WeakPolarHBondContact CD1-O 3.36Å |
| 59 | F | 93.7 | Very high | 88 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -40.4 | -175.7 | -75.7 | -99.4 | 0 | 0 | 0 | 111.9 | M46 Q49 F53 G57 N61 G62 F66 K79 | M46-F59 HydrophobicContact CB-CD1 4.24Å; M46-F59 HydrophobicContact CB-CE1 4.33Å; M46-F59 HydrophobicContact CG-CD1 4.14Å; M46-F59 HydrophobicContact CG-CE1 3.78Å; Q49-F59 HydrophobicContact CB-CB 4.24Å; Q49-F59 HydrophobicContact CG-CB 3.95Å; Q49-F59 HydrophobicContact CG-CD1 4.36Å; Q49-F59 PolarHBondContact N-O 3.21Å; F53-F59 HydrophobicContact CD2-CB 4.47Å; G57-F59 PolarHBondContact O-N 2.9Å; F59-N61 PolarHBondContact O-N 3.09Å; F59-G62 PolarHBondContact O-N 2.74Å; F59-F66 HydrophobicContact CE1-CD2 4.33Å; F59-F66 AromaticContact CE1-CE2 3.8Å; F59-F66 HydrophobicContact CE1-CE2 3.8Å; F59-F66 HydrophobicContact CZ-CE2 4.28Å; F59-K79 HydrophobicContact CE2-CD 4.22Å; F59-K79 HydrophobicContact CE2-CG 4.06Å; F59-K79 HydrophobicContact CZ-CD 4.15Å; F59-K79 VanDerWaalsContact CZ-CE 3.48Å; F59-K79 HydrophobicContact CZ-CG 3.7Å |
| 60 | A | 92.9 | Very high | 88.3 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K48 Q49 D52 G62 | K48-A60 WeakPolarHBondContact CE-O 3.26Å; K48-A60 WeakPolarHBondContact CG-O 2.8Å; Q49-A60 WeakPolarHBondContact O-CA 3.46Å; D52-A60 HydrophobicContact CB-CB 4.23Å; D52-A60 WeakPolarHBondContact OD1-CB 3.09Å; D52-A60 PolarHBondContact OD1-N 3.09Å; D52-A60 WeakPolarHBondContact OD2-CB 3.4Å; A60-G62 VanDerWaalsContact C-N 3.33Å |
| 61 | N | 94.3 | Very high | 88.8 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.7 | 171.2 | -68.8 | -46.6 | 0 | 0 | 0 | 113.8 | G57 F59 | G57-N61 WeakPolarHBondContact O-CB 3.12Å; G57-N61 PolarHBondContact O-N 3.05Å; G57-N61 PolarHBondContact O-ND2 3.46Å; F59-N61 PolarHBondContact O-N 3.09Å |
| 62 | G | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 25.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K45 I58 F59 A60 R156 | K45-G62 WeakPolarHBondContact CE-O 3.21Å; K45-G62 PolarHBondContact NZ-O 3.35Å; I58-G62 PolarHBondContact O-N 2.59Å; F59-G62 PolarHBondContact O-N 2.74Å; A60-G62 VanDerWaalsContact C-N 3.33Å; G62-R156 WeakPolarHBondContact CA-O 3.23Å |
| 63 | H | 96.7 | Very high | 91.1 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | trans | -113.2 | -3 | 177.6 | -62.2 | -55.9 | 0 | 0 | 0 | 113.5 | I58 G83 I84 D85 W150 | I58-H63 HydrophobicContact CG2-CB 4.33Å; I58-H63 CarbonylContact O-C 3.52Å; I58-H63 WeakPolarHBondContact O-CA 3.39Å; I58-H63 PolarHBondContact O-N 3.43Å; H63-G83 WeakPolarHBondContact O-CA 3.38Å; H63-I84 HydrophobicContact CB-CG2 4.34Å; H63-I84 PolarHBondContact O-N 2.75Å; H63-D85 WeakPolarHBondContact CB-OD1 3.36Å; H63-D85 IonicContact CD2-OD1 3.66Å; H63-D85 IonicContact CG-OD1 3.43Å; H63-D85 IonicContact ND1-OD1 3.23Å; H63-W150 AromaticContact ND1-CD1 3.88Å | ||
| 64 | G | 96 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -71.6 | 141.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | M46 I58 | M46-G64 PolarHBondContact N-O 3.36Å; I58-G64 VanDerWaalsContact CG2-CA 3.41Å; I58-G64 PolarHBondContact O-N 2.89Å | ||
| 65 | F | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154 | 178.4 | 70.8 | -87.3 | 0 | 0 | 0 | 112 | I43 Y44 K45 Y67 S80 M82 I84 Q89 | I43-F65 HydrophobicContact CB-CD2 4.45Å; I43-F65 HydrophobicContact CD1-CE2 4.44Å; I43-F65 HydrophobicContact CG1-CD2 4.23Å; I43-F65 HydrophobicContact CG1-CE2 4.29Å; I43-F65 HydrophobicContact CG2-CB 3.83Å; I43-F65 HydrophobicContact CG2-CD2 3.62Å; I43-F65 HydrophobicContact CG2-CE2 4.4Å; I43-F65 HydrophobicContact CG2-CG 3.91Å; Y44-F65 CarbonylContact O-C 3.46Å; Y44-F65 VanDerWaalsContact O-CA 3.25Å; Y44-F65 WeakPolarHBondContact O-CA 3.47Å; Y44-F65 WeakPolarHBondContact O-CB 3.31Å; K45-F65 HydrophobicContact CB-CB 4.19Å; F65-Y67 HydrophobicContact CD2-CD1 4.23Å; F65-Y67 AromaticContact CE2-CD1 3.73Å; F65-Y67 HydrophobicContact CE2-CD1 3.73Å; F65-Y67 HydrophobicContact CE2-CG 4.38Å; F65-S80 WeakPolarHBondContact CE1-OG 3.25Å; F65-S80 WeakPolarHBondContact CZ-OG 3.33Å; F65-S80 WeakPolarHBondContact O-CB 3.42Å; F65-S80 PolarHBondContact O-N 3.28Å; F65-M82 WeakPolarHBondContact CE1-O 3.17Å; F65-I84 HydrophobicContact CD1-CB 3.71Å; F65-I84 HydrophobicContact CD1-CG1 4.31Å; F65-I84 HydrophobicContact CE1-CB 4.03Å; F65-I84 HydrophobicContact CE1-CG1 4.5Å; F65-Q89 HydrophobicContact CE1-CB 4.47Å; F65-Q89 HydrophobicContact CE1-CG 4.35Å; F65-Q89 HydrophobicContact CZ-CB 3.98Å; F65-Q89 HydrophobicContact CZ-CG 4.27Å |
| 66 | F | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 155.2 | 166.4 | -66.6 | -103.1 | 0 | 0 | 0 | 109 | I43 Y44 M46 F59 W77 T78 K79 L287 H289 | I43-F66 WeakPolarHBondContact CA-O 3.48Å; Y44-F66 PolarHBondContact N-O 3.05Å; Y44-F66 PolarHBondContact O-N 3.05Å; M46-F66 HydrophobicContact CG-CD2 3.79Å; M46-F66 HydrophobicContact CG-CE2 3.84Å; M46-F66 HydrophobicContact SD-CD2 3.74Å; M46-F66 HydrophobicContact SD-CE2 3.97Å; F59-F66 HydrophobicContact CE1-CD2 4.33Å; F59-F66 AromaticContact CE1-CE2 3.8Å; F59-F66 HydrophobicContact CE1-CE2 3.8Å; F59-F66 HydrophobicContact CZ-CE2 4.28Å; F66-W77 HydrophobicContact CB-CE3 3.8Å; F66-W77 HydrophobicContact CB-CZ3 4.36Å; F66-W77 HydrophobicContact CD1-CB 4.34Å; F66-T78 CarbonylContact C-O 3.5Å; F66-T78 VanDerWaalsContact CA-O 3.23Å; F66-T78 WeakPolarHBondContact CA-O 3.38Å; F66-K79 HydrophobicContact CD1-CB 3.93Å; F66-K79 HydrophobicContact CD1-CG 4.45Å; F66-K79 HydrophobicContact CE1-CB 3.66Å; F66-K79 HydrophobicContact CE1-CD 4.49Å; F66-K79 HydrophobicContact CE1-CG 3.98Å; F66-K79 HydrophobicContact CZ-CB 4.29Å; F66-K79 HydrophobicContact CZ-CD 4.37Å; F66-K79 HydrophobicContact CZ-CG 4.09Å; F66-L287 HydrophobicContact CB-CD1 3.78Å; F66-L287 HydrophobicContact CD1-CB 4.25Å; F66-L287 HydrophobicContact CD2-CB 4.28Å; F66-L287 HydrophobicContact CD2-CD1 3.64Å; F66-L287 HydrophobicContact CE1-CB 4.3Å; F66-L287 HydrophobicContact CE2-CB 4.33Å; F66-L287 HydrophobicContact CE2-CD1 4.35Å; F66-L287 HydrophobicContact CG-CB 4.24Å; F66-L287 HydrophobicContact CG-CD1 3.75Å; F66-L287 HydrophobicContact CZ-CB 4.34Å; F66-H289 HydrophobicContact CD1-CB 4.28Å; F66-H289 HydrophobicContact CE1-CB 3.79Å |
| 67 | Y | 98.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 158.3 | 178 | 67.4 | -94.9 | 0 | 0 | 0 | 113.5 | L42 F65 T78 M90 | L42-Y67 CarbonylContact O-C 3.49Å; L42-Y67 WeakPolarHBondContact O-CA 3.48Å; L42-Y67 WeakPolarHBondContact O-CB 3.44Å; F65-Y67 HydrophobicContact CD2-CD1 4.23Å; F65-Y67 AromaticContact CE2-CD1 3.73Å; F65-Y67 HydrophobicContact CE2-CD1 3.73Å; F65-Y67 HydrophobicContact CE2-CG 4.38Å; Y67-T78 HydrophobicContact CD1-CG2 4.49Å; Y67-T78 WeakPolarHBondContact CD1-O 3.45Å; Y67-T78 HydrophobicContact CE1-CG2 3.69Å; Y67-T78 HydrophobicContact CE2-CG2 4.06Å; Y67-T78 VanDerWaalsContact CZ-CG2 3.44Å; Y67-T78 PolarHBondContact N-O 3.36Å; Y67-T78 PolarHBondContact O-N 3Å; Y67-T78 WeakPolarHBondContact OH-CG2 3.43Å; Y67-M90 HydrophobicContact CD1-SD 4.07Å; Y67-M90 HydrophobicContact CD2-CE 4.09Å; Y67-M90 HydrophobicContact CD2-SD 3.33Å; Y67-M90 WeakPolarHBondContact CD2-SD 3.49Å; Y67-M90 HydrophobicContact CE1-SD 4.47Å; Y67-M90 HydrophobicContact CE2-SD 3.81Å; Y67-M90 HydrophobicContact CG-SD 3.46Å |
| 68 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.3 | 167.3 | -66.5 | 168.9 | 0 | 0 | 0 | 108.3 | W40 F41 L42 A73 G76 W77 A345 F346 | W40-L68 HydrophobicContact CZ3-CB 4.06Å; F41-L68 CarbonylContact C-O 3.58Å; F41-L68 VanDerWaalsContact CA-O 3.25Å; F41-L68 WeakPolarHBondContact CA-O 3.23Å; F41-L68 WeakPolarHBondContact CB-O 3.33Å; L42-L68 HydrophobicContact CB-CB 4.47Å; L42-L68 PolarHBondContact N-O 3.15Å; L42-L68 PolarHBondContact O-N 3.28Å; L68-A73 HydrophobicContact CD2-CB 4.43Å; L68-G76 VanDerWaalsContact CD2-O 3.24Å; L68-G76 WeakPolarHBondContact CD2-O 3.35Å; L68-W77 HydrophobicContact CD1-CD2 3.96Å; L68-W77 HydrophobicContact CD1-CE3 4.03Å; L68-W77 HydrophobicContact CD1-CH2 3.84Å; L68-W77 HydrophobicContact CD1-CZ2 3.73Å; L68-W77 HydrophobicContact CD1-CZ3 3.98Å; L68-W77 HydrophobicContact CD2-CD2 4.23Å; L68-W77 HydrophobicContact CD2-CE3 4.34Å; L68-W77 HydrophobicContact CD2-CG 4.41Å; L68-W77 HydrophobicContact CG-CD2 3.86Å; L68-W77 HydrophobicContact CG-CE3 3.64Å; L68-W77 HydrophobicContact CG-CH2 4.25Å; L68-W77 HydrophobicContact CG-CZ2 4.42Å; L68-W77 HydrophobicContact CG-CZ3 3.85Å; L68-A345 HydrophobicContact CD1-CB 3.72Å; L68-A345 HydrophobicContact CD2-CB 3.84Å; L68-A345 HydrophobicContact CG-CB 4.45Å; L68-F346 HydrophobicContact CD1-CD2 4.28Å; L68-F346 HydrophobicContact CD1-CE2 3.97Å |
| 69 | N | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.4 | 168.7 | 64.8 | 63 | 0 | 0 | 0 | 111.2 | V38 W40 F41 A71 T72 A73 M90 | V38-N69 HydrophobicContact CG1-CB 4.42Å; V38-N69 HydrophobicContact CG2-CB 4.37Å; W40-N69 WeakPolarHBondContact O-CA 3.25Å; F41-N69 HydrophobicContact CB-CB 3.84Å; N69-A71 PolarHBondContact O-N 3.03Å; N69-A71 WeakPolarHBondContact OD1-CA 3.39Å; N69-A71 WeakPolarHBondContact OD1-CB 3.33Å; N69-A71 PolarHBondContact OD1-N 2.83Å; N69-T72 PolarHBondContact ND2-OG1 3.46Å; N69-T72 VanDerWaalsContact ND2-OG1 3.07Å; N69-T72 PolarHBondContact O-N 3.19Å; N69-T72 VanDerWaalsContact O-N 3.14Å; N69-T72 PolarHBondContact OD1-N 2.71Å; N69-T72 PolarHBondContact OD1-OG1 3.01Å; N69-T72 VanDerWaalsContact OD1-OG1 3.13Å; N69-A73 WeakPolarHBondContact O-CB 3.42Å; N69-A73 PolarHBondContact O-N 3.25Å; N69-M90 HydrophobicContact CB-CE 3.77Å |
| 70 | S | 95.7 | Very high | 95.8 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.1 | -176.6 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | Q39 W40 | Q39-S70 PolarHBondContact N-OG 3.02Å; W40-S70 PolarHBondContact O-N 2.48Å |
| 71 | A | 93 | Very high | 95.8 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 63% | 0.628 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -31.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V38 N69 | V38-A71 HydrophobicContact CG1-CB 4.36Å; N69-A71 PolarHBondContact O-N 3.03Å; N69-A71 WeakPolarHBondContact OD1-CA 3.39Å; N69-A71 WeakPolarHBondContact OD1-CB 3.33Å; N69-A71 PolarHBondContact OD1-N 2.83Å |
| 72 | T | 93.8 | Very high | 95.8 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -2.2 | -171.1 | 62.5 | 0 | 0 | 0 | 0 | 115 | N69 A74 M75 | N69-T72 PolarHBondContact ND2-OG1 3.46Å; N69-T72 VanDerWaalsContact ND2-OG1 3.07Å; N69-T72 PolarHBondContact O-N 3.19Å; N69-T72 VanDerWaalsContact O-N 3.14Å; N69-T72 PolarHBondContact OD1-N 2.71Å; N69-T72 PolarHBondContact OD1-OG1 3.01Å; N69-T72 VanDerWaalsContact OD1-OG1 3.13Å; T72-A74 PolarHBondContact O-N 3.4Å; T72-M75 VanDerWaalsContact CB-CE 3.45Å; T72-M75 HydrophobicContact CG2-CE 3.62Å; T72-M75 WeakPolarHBondContact O-CB 3.29Å; T72-M75 PolarHBondContact O-N 2.79Å |
| 73 | A | 95.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -57.5 | -24.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W40 L68 N69 M75 G76 P341 | W40-A73 HydrophobicContact CH2-CB 3.52Å; W40-A73 HydrophobicContact CZ2-CB 4.17Å; W40-A73 HydrophobicContact CZ3-CB 4.45Å; L68-A73 HydrophobicContact CD2-CB 4.43Å; N69-A73 WeakPolarHBondContact O-CB 3.42Å; N69-A73 PolarHBondContact O-N 3.25Å; A73-M75 PolarHBondContact O-N 3Å; A73-G76 PolarHBondContact O-N 2.88Å; A73-P341 HydrophobicContact CB-CB 3.91Å |
| 74 | A | 94.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 71% | 0.711 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -62.2 | -22 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T72 G76 P341 | T72-A74 PolarHBondContact O-N 3.4Å; A74-G76 VanDerWaalsContact C-N 3.31Å; A74-P341 HydrophobicContact CB-CB 4.44Å |
| 75 | M | 95.3 | Very high | 96 | Very high | 148 Ų | 148 | 36.9 Ų | 36.9 | 73% | 0.729 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -85 | -4.1 | 175.1 | -58.8 | -171.6 | -68.7 | 0 | 0 | 113 | T72 A73 | T72-M75 VanDerWaalsContact CB-CE 3.45Å; T72-M75 HydrophobicContact CG2-CE 3.62Å; T72-M75 WeakPolarHBondContact O-CB 3.29Å; T72-M75 PolarHBondContact O-N 2.79Å; A73-M75 PolarHBondContact O-N 3Å |
| 76 | G | 96.5 | Very high | 96 | Very high | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | trans | 78.4 | -165.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L68 A73 A74 | L68-G76 VanDerWaalsContact CD2-O 3.24Å; L68-G76 WeakPolarHBondContact CD2-O 3.35Å; A73-G76 PolarHBondContact O-N 2.88Å; A74-G76 VanDerWaalsContact C-N 3.31Å | ||
| 77 | W | 97.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.038 | 26% | 0.259 | C | S | . | . | trans | -60.9 | 135.1 | -176.3 | -71.1 | 104 | 0 | 0 | 0 | 112 | L42 Y44 F66 L68 L287 H289 A345 F346 T349 | L42-W77 HydrophobicContact CD2-CH2 3.38Å; L42-W77 HydrophobicContact CD2-CZ3 3.7Å; Y44-W77 AromaticContact CD2-CH2 3.85Å; Y44-W77 HydrophobicContact CD2-CH2 3.85Å; Y44-W77 HydrophobicContact CD2-CZ2 4.33Å; Y44-W77 HydrophobicContact CG-CH2 4.42Å; F66-W77 HydrophobicContact CB-CE3 3.8Å; F66-W77 HydrophobicContact CB-CZ3 4.36Å; F66-W77 HydrophobicContact CD1-CB 4.34Å; L68-W77 HydrophobicContact CD1-CD2 3.96Å; L68-W77 HydrophobicContact CD1-CE3 4.03Å; L68-W77 HydrophobicContact CD1-CH2 3.84Å; L68-W77 HydrophobicContact CD1-CZ2 3.73Å; L68-W77 HydrophobicContact CD1-CZ3 3.98Å; L68-W77 HydrophobicContact CD2-CD2 4.23Å; L68-W77 HydrophobicContact CD2-CE3 4.34Å; L68-W77 HydrophobicContact CD2-CG 4.41Å; L68-W77 HydrophobicContact CG-CD2 3.86Å; L68-W77 HydrophobicContact CG-CE3 3.64Å; L68-W77 HydrophobicContact CG-CH2 4.25Å; L68-W77 HydrophobicContact CG-CZ2 4.42Å; L68-W77 HydrophobicContact CG-CZ3 3.85Å; W77-L287 HydrophobicContact CD2-CD2 3.94Å; W77-L287 HydrophobicContact CG-CD2 4.13Å; W77-L287 HydrophobicContact CZ2-CD2 3.93Å; W77-H289 PolarHBondContact O-ND1 3.07Å; W77-A345 PolarHBondContact NE1-O 2.93Å; W77-F346 AromaticContact CH2-CE2 3.84Å; W77-F346 HydrophobicContact CH2-CE2 3.84Å; W77-F346 AromaticContact CH2-CZ 3.73Å; W77-F346 HydrophobicContact CH2-CZ 3.73Å; W77-F346 AromaticContact CZ2-CD2 3.97Å; W77-F346 HydrophobicContact CZ2-CD2 3.97Å; W77-F346 HydrophobicContact CZ2-CE1 4.03Å; W77-F346 AromaticContact CZ2-CE2 3.43Å; W77-F346 HydrophobicContact CZ2-CE2 3.43Å; W77-F346 VanDerWaalsContact CZ2-CE2 3.43Å; W77-F346 HydrophobicContact CZ2-CG 4.48Å; W77-F346 AromaticContact CZ2-CZ 3.47Å; W77-F346 HydrophobicContact CZ2-CZ 3.47Å; W77-F346 VanDerWaalsContact CZ2-CZ 3.47Å; W77-T349 PolarHBondContact NE1-OG1 2.67Å; W77-T349 VanDerWaalsContact NE1-OG1 3.14Å | ||
| 78 | T | 96.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 51 Ų | 51 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.6 | 173.7 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | F66 Y67 H289 | F66-T78 CarbonylContact C-O 3.5Å; F66-T78 VanDerWaalsContact CA-O 3.23Å; F66-T78 WeakPolarHBondContact CA-O 3.38Å; Y67-T78 HydrophobicContact CD1-CG2 4.49Å; Y67-T78 WeakPolarHBondContact CD1-O 3.45Å; Y67-T78 HydrophobicContact CE1-CG2 3.69Å; Y67-T78 HydrophobicContact CE2-CG2 4.06Å; Y67-T78 VanDerWaalsContact CZ-CG2 3.44Å; Y67-T78 PolarHBondContact N-O 3.36Å; Y67-T78 PolarHBondContact O-N 3Å; Y67-T78 WeakPolarHBondContact OH-CG2 3.43Å; T78-H289 WeakPolarHBondContact CA-ND1 3.41Å |
| 79 | K | 94.8 | Very high | 95.6 | Very high | 32 Ų | 32 | 51 Ų | 51 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 124.3 | 172.1 | -171.8 | -178.1 | 171.1 | -170.5 | 0 | 109.1 | D54 F59 F66 H289 | D54-K79 WeakPolarHBondContact OD2-CE 3.45Å; D54-K79 IonicContact OD2-NZ 2.83Å; D54-K79 PolarHBondContact OD2-NZ 3.31Å; F59-K79 HydrophobicContact CE2-CD 4.22Å; F59-K79 HydrophobicContact CE2-CG 4.06Å; F59-K79 HydrophobicContact CZ-CD 4.15Å; F59-K79 VanDerWaalsContact CZ-CE 3.48Å; F59-K79 HydrophobicContact CZ-CG 3.7Å; F66-K79 HydrophobicContact CD1-CB 3.93Å; F66-K79 HydrophobicContact CD1-CG 4.45Å; F66-K79 HydrophobicContact CE1-CB 3.66Å; F66-K79 HydrophobicContact CE1-CD 4.49Å; F66-K79 HydrophobicContact CE1-CG 3.98Å; F66-K79 HydrophobicContact CZ-CB 4.29Å; F66-K79 HydrophobicContact CZ-CD 4.37Å; F66-K79 HydrophobicContact CZ-CG 4.09Å; K79-H289 HydrophobicContact CB-CB 4Å |
| 80 | S | 95.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | -73.2 | 140.5 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | Q32 F65 M82 | Q32-S80 PolarHBondContact NE2-OG 3.3Å; Q32-S80 PolarHBondContact OE1-OG 2.86Å; Q32-S80 VanDerWaalsContact OE1-OG 3.11Å; F65-S80 WeakPolarHBondContact CE1-OG 3.25Å; F65-S80 WeakPolarHBondContact CZ-OG 3.33Å; F65-S80 WeakPolarHBondContact O-CB 3.42Å; F65-S80 PolarHBondContact O-N 3.28Å; S80-M82 VanDerWaalsContact C-N 3.33Å; S80-M82 PolarHBondContact OG-N 3.03Å; S80-M82 VanDerWaalsContact OG-N 3.08Å; S80-M82 PolarHBondContact OG-O 2.79Å | ||
| 81 | K | 92.9 | Very high | 95.7 | Very high | 190 Ų | 190 | 49.1 Ų | 49.1 | 83% | 0.826 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -86.5 | -4.3 | 170 | -61.3 | -179.6 | -178 | 176.3 | 0 | 113 | I58 | I58-K81 WeakPolarHBondContact CD1-O 3.36Š|
| 82 | M | 94.8 | Very high | 96 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -117.6 | 141.8 | 179.2 | -60.3 | -176.3 | -136.1 | 0 | 0 | 109.1 | Q32 F65 S80 K88 Q89 | Q32-M82 HydrophobicContact CG-CE 3.81Å; F65-M82 WeakPolarHBondContact CE1-O 3.17Å; S80-M82 VanDerWaalsContact C-N 3.33Å; S80-M82 PolarHBondContact OG-N 3.03Å; S80-M82 VanDerWaalsContact OG-N 3.08Å; S80-M82 PolarHBondContact OG-O 2.79Å; M82-K88 HydrophobicContact CE-CB 4.42Å; M82-K88 HydrophobicContact SD-CB 3.94Å; M82-Q89 HydrophobicContact CB-CB 4.23Å; M82-Q89 HydrophobicContact SD-CB 4.35Å |
| 83 | G | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -66.9 | 147.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H63 D85 K86 | H63-G83 WeakPolarHBondContact O-CA 3.38Å; G83-D85 WeakPolarHBondContact CA-OD1 3.21Å; G83-D85 PolarHBondContact O-N 3.2Å; G83-D85 VanDerWaalsContact O-N 3.15Å; G83-K86 WeakPolarHBondContact O-CB 3.34Å; G83-K86 PolarHBondContact O-N 3.03Å | ||
| 84 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.2 | 177.2 | -162 | 165.3 | 0 | 0 | 0 | 112.1 | I43 K45 H63 F65 K86 Q89 L91 Y148 W150 L162 | I43-I84 HydrophobicContact CG2-CD1 3.93Å; K45-I84 HydrophobicContact CB-CD1 3.91Å; K45-I84 HydrophobicContact CG-CD1 3.95Å; K45-I84 HydrophobicContact CG-CG2 4.27Å; H63-I84 HydrophobicContact CB-CG2 4.34Å; H63-I84 PolarHBondContact O-N 2.75Å; F65-I84 HydrophobicContact CD1-CB 3.71Å; F65-I84 HydrophobicContact CD1-CG1 4.31Å; F65-I84 HydrophobicContact CE1-CB 4.03Å; F65-I84 HydrophobicContact CE1-CG1 4.5Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-Q89 PolarHBondContact O-NE2 2.87Å; I84-L91 HydrophobicContact CD1-CD2 3.95Å; I84-L91 HydrophobicContact CG1-CD2 3.91Å; I84-Y148 WeakPolarHBondContact O-CE1 3.44Å; I84-Y148 PolarHBondContact O-OH 3.39Å; I84-W150 HydrophobicContact CB-CD2 4.49Å; I84-W150 HydrophobicContact CB-CE3 4.44Å; I84-W150 HydrophobicContact CD1-CD2 4.28Å; I84-W150 HydrophobicContact CD1-CE3 3.77Å; I84-W150 HydrophobicContact CD1-CH2 3.64Å; I84-W150 HydrophobicContact CD1-CZ2 4.14Å; I84-W150 HydrophobicContact CD1-CZ3 3.43Å; I84-W150 VanDerWaalsContact CD1-CZ3 3.43Å; I84-W150 HydrophobicContact CG1-CD2 4.28Å; I84-W150 HydrophobicContact CG1-CE3 3.76Å; I84-W150 HydrophobicContact CG1-CZ3 3.92Å; I84-W150 HydrophobicContact CG2-CB 4.12Å; I84-W150 HydrophobicContact CG2-CD2 3.49Å; I84-W150 VanDerWaalsContact CG2-CD2 3.49Å; I84-W150 HydrophobicContact CG2-CE3 3.89Å; I84-W150 HydrophobicContact CG2-CG 3.59Å; I84-L162 HydrophobicContact CD1-CD1 4.24Å |
| 85 | D | 97.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.9 | 174.5 | 68.9 | -53.1 | 0 | 0 | 0 | 113.6 | H63 G83 W150 | H63-D85 WeakPolarHBondContact CB-OD1 3.36Å; H63-D85 IonicContact CD2-OD1 3.66Å; H63-D85 IonicContact CG-OD1 3.43Å; H63-D85 IonicContact ND1-OD1 3.23Å; G83-D85 WeakPolarHBondContact CA-OD1 3.21Å; G83-D85 PolarHBondContact O-N 3.2Å; G83-D85 VanDerWaalsContact O-N 3.15Å; D85-W150 HydrophobicContact CB-CB 3.8Å |
| 86 | K | 97.1 | Very high | 96.5 | Very high | 107 Ų | 107 | 36.3 Ų | 36.3 | 47% | 0.465 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -90.9 | 156.7 | -174.9 | -59.4 | -50.2 | -176.1 | -148.5 | 0 | 112.6 | G83 I84 Q89 | G83-K86 WeakPolarHBondContact O-CB 3.34Å; G83-K86 PolarHBondContact O-N 3.03Å; I84-K86 VanDerWaalsContact C-N 3.31Å; K86-Q89 WeakPolarHBondContact O-CG 3.45Å; K86-Q89 PolarHBondContact O-NE2 3.12Å |
| 87 | P | 95 | Very high | 96.4 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 49% | 0.494 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 170.3 | 168.7 | 31.9 | -37.1 | 0 | 0 | 0 | 111.4 | Q89 E92 | P87-Q89 PolarHBondContact O-N 2.85Å; P87-E92 WeakPolarHBondContact CA-OE2 3.44Å; P87-E92 HydrophobicContact CB-CG 4.46Å |
| 88 | K | 94.4 | Very high | 96.3 | Very high | 128 Ų | 128 | 35.9 Ų | 35.9 | 56% | 0.557 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 0.6 | 174.7 | -54 | 178.1 | -179.2 | 178 | 0 | 115.8 | M82 E92 R93 | M82-K88 HydrophobicContact CE-CB 4.42Å; M82-K88 HydrophobicContact SD-CB 3.94Å; K88-E92 PolarHBondContact N-OE2 3.19Å; K88-R93 VanDerWaalsContact O-CZ 3.29Å; K88-R93 PolarHBondContact O-NE 2.82Å; K88-R93 PolarHBondContact O-NH2 3.19Å |
| 89 | Q | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -91.7 | 168 | 166.3 | 59.3 | 69.9 | 28.6 | 0 | 0 | 112.1 | Q32 F65 M82 I84 K86 P87 L91 E92 R93 Y148 | Q32-Q89 HydrophobicContact CG-CB 4.48Å; Q32-Q89 VanDerWaalsContact OE1-CB 3.28Å; F65-Q89 HydrophobicContact CE1-CB 4.47Å; F65-Q89 HydrophobicContact CE1-CG 4.35Å; F65-Q89 HydrophobicContact CZ-CB 3.98Å; F65-Q89 HydrophobicContact CZ-CG 4.27Å; M82-Q89 HydrophobicContact CB-CB 4.23Å; M82-Q89 HydrophobicContact SD-CB 4.35Å; I84-Q89 PolarHBondContact O-NE2 2.87Å; K86-Q89 WeakPolarHBondContact O-CG 3.45Å; K86-Q89 PolarHBondContact O-NE2 3.12Å; P87-Q89 PolarHBondContact O-N 2.85Å; Q89-L91 PolarHBondContact O-N 2.67Å; Q89-L91 VanDerWaalsContact OE1-CB 3.24Å; Q89-E92 VanDerWaalsContact NE2-CB 3.33Å; Q89-E92 PolarHBondContact O-N 2.92Å; Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 VanDerWaalsContact O-CG 3.25Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 2.93Å; Q89-Y148 PolarHBondContact NE2-OH 2.96Å |
| 90 | M | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53 | -46.4 | -168.3 | -58.3 | 178.9 | 72.7 | 0 | 0 | 114.2 | R30 E31 Q32 F41 I43 Y67 N69 T94 | R30-M90 WeakPolarHBondContact O-CA 2.93Å; R30-M90 VanDerWaalsContact O-CB 3.25Å; R30-M90 WeakPolarHBondContact O-CB 3.04Å; E31-M90 HydrophobicContact CB-CE 4.25Å; Q32-M90 HydrophobicContact CB-CG 3.69Å; Q32-M90 HydrophobicContact CB-SD 4.45Å; F41-M90 HydrophobicContact CB-CE 3.29Å; F41-M90 HydrophobicContact CD1-CE 4.02Å; F41-M90 HydrophobicContact CD2-CE 4.31Å; F41-M90 HydrophobicContact CG-CE 3.65Å; I43-M90 HydrophobicContact CD1-CB 4.28Å; Y67-M90 HydrophobicContact CD1-SD 4.07Å; Y67-M90 HydrophobicContact CD2-CE 4.09Å; Y67-M90 HydrophobicContact CD2-SD 3.33Å; Y67-M90 WeakPolarHBondContact CD2-SD 3.49Å; Y67-M90 HydrophobicContact CE1-SD 4.47Å; Y67-M90 HydrophobicContact CE2-SD 3.81Å; Y67-M90 HydrophobicContact CG-SD 3.46Å; N69-M90 HydrophobicContact CB-CE 3.77Å; M90-T94 WeakPolarHBondContact O-CB 3.5Å; M90-T94 PolarHBondContact O-N 2.68Å; M90-T94 PolarHBondContact O-OG1 3.29Å |
| 91 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.2 | -45.9 | -176.3 | -172.3 | 60.4 | 0 | 0 | 0 | 111.8 | F41 I43 I84 Q89 T94 L95 L135 F142 Y148 W150 L162 | F41-L91 HydrophobicContact CZ-CD1 4.44Å; I43-L91 HydrophobicContact CD1-CB 3.8Å; I84-L91 HydrophobicContact CD1-CD2 3.95Å; I84-L91 HydrophobicContact CG1-CD2 3.91Å; Q89-L91 PolarHBondContact O-N 2.67Å; Q89-L91 VanDerWaalsContact OE1-CB 3.24Å; L91-T94 PolarHBondContact O-N 2.9Å; L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CG-CD1 4.28Å; L91-L95 PolarHBondContact O-N 2.71Å; L91-L135 HydrophobicContact CD1-CD1 4.23Å; L91-L135 HydrophobicContact CD1-CD2 3.77Å; L91-F142 HydrophobicContact CD1-CE1 4.02Å; L91-F142 HydrophobicContact CD1-CZ 3.9Å; L91-F142 HydrophobicContact CD2-CE1 3.87Å; L91-F142 HydrophobicContact CD2-CE2 4.04Å; L91-F142 HydrophobicContact CD2-CZ 3.36Å; L91-F142 HydrophobicContact CG-CE1 4.21Å; L91-F142 HydrophobicContact CG-CZ 3.63Å; L91-Y148 HydrophobicContact CG-CE2 4.35Å; L91-W150 HydrophobicContact CD2-CE3 4.31Å; L91-W150 HydrophobicContact CD2-CZ3 3.78Å; L91-L162 HydrophobicContact CD1-CD2 3.99Å; L91-L162 HydrophobicContact CD2-CD2 3.64Å; L91-L162 HydrophobicContact CG-CD2 4.48Å |
| 92 | E | 97.8 | Very high | 96 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 175.7 | -175.9 | -86.1 | 143.8 | 0 | 0 | 110.6 | P87 K88 Q89 T94 L95 R96 Y148 | P87-E92 WeakPolarHBondContact CA-OE2 3.44Å; P87-E92 HydrophobicContact CB-CG 4.46Å; K88-E92 PolarHBondContact N-OE2 3.19Å; Q89-E92 VanDerWaalsContact NE2-CB 3.33Å; Q89-E92 PolarHBondContact O-N 2.92Å; E92-T94 VanDerWaalsContact C-N 3.25Å; E92-T94 PolarHBondContact O-N 3.26Å; E92-L95 CarbonylContact O-C 3.55Å; E92-L95 PolarHBondContact O-N 3.2Å; E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 PolarHBondContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.57Å; E92-R96 IonicContact OE1-NE 2.82Å; E92-R96 PolarHBondContact OE1-NE 3.13Å; E92-R96 IonicContact OE1-NH2 3.45Å; E92-R96 PolarHBondContact OE1-NH2 3.07Å; E92-R96 IonicContact OE2-CZ 3.57Å; E92-R96 IonicContact OE2-NE 3.61Å; E92-R96 IonicContact OE2-NH2 2.69Å; E92-R96 PolarHBondContact OE2-NH2 2.82Å; E92-Y148 HydrophobicContact CB-CD1 3.98Å; E92-Y148 HydrophobicContact CB-CD2 3.99Å; E92-Y148 HydrophobicContact CB-CE1 3.74Å; E92-Y148 HydrophobicContact CB-CE2 3.75Å; E92-Y148 HydrophobicContact CB-CG 4.11Å; E92-Y148 HydrophobicContact CG-CD1 3.73Å; E92-Y148 HydrophobicContact CG-CD2 3.96Å; E92-Y148 HydrophobicContact CG-CE1 4.03Å; E92-Y148 HydrophobicContact CG-CE2 4.24Å; E92-Y148 HydrophobicContact CG-CG 3.7Å |
| 93 | R | 97.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -41.6 | 175.2 | -75.6 | 174.5 | -179.2 | -59.6 | 1.6 | 112.6 | R30 E31 Q32 N35 K88 Q89 R96 | R30-R93 HydrophobicContact CB-CB 3.85Å; R30-R93 WeakPolarHBondContact CD-O 3.29Å; E31-R93 VanDerWaalsContact O-CD 3.31Å; E31-R93 WeakPolarHBondContact O-CD 3.21Å; Q32-R93 PolarHBondContact O-NE 2.79Å; Q32-R93 PolarHBondContact O-NH2 3.05Å; N35-R93 VanDerWaalsContact CB-NH1 3.33Å; N35-R93 WeakPolarHBondContact OD1-CD 3.42Å; N35-R93 VanDerWaalsContact OD1-CG 3.31Å; N35-R93 WeakPolarHBondContact OD1-CG 3.35Å; N35-R93 PolarHBondContact OD1-NH1 2.88Å; K88-R93 VanDerWaalsContact O-CZ 3.29Å; K88-R93 PolarHBondContact O-NE 2.82Å; K88-R93 PolarHBondContact O-NH2 3.19Å; Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 VanDerWaalsContact O-CG 3.25Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 2.93Å; R93-R96 VanDerWaalsContact CG-NH2 3.28Å |
| 94 | T | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -40.8 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | R30 F41 M90 L91 E92 P97 F133 | R30-T94 PolarHBondContact N-OG1 2.84Å; F41-T94 HydrophobicContact CE1-CG2 4.33Å; F41-T94 VanDerWaalsContact CE1-OG1 3.3Å; F41-T94 WeakPolarHBondContact CE1-OG1 3.33Å; M90-T94 WeakPolarHBondContact O-CB 3.5Å; M90-T94 PolarHBondContact O-N 2.68Å; M90-T94 PolarHBondContact O-OG1 3.29Å; L91-T94 PolarHBondContact O-N 2.9Å; E92-T94 VanDerWaalsContact C-N 3.25Å; E92-T94 PolarHBondContact O-N 3.26Å; T94-P97 WeakPolarHBondContact O-CD 3.4Å; T94-F133 HydrophobicContact CG2-CD1 3.87Å; T94-F133 HydrophobicContact CG2-CD2 4.2Å; T94-F133 HydrophobicContact CG2-CE1 3.76Å; T94-F133 HydrophobicContact CG2-CE2 4.17Å; T94-F133 HydrophobicContact CG2-CG 4.09Å; T94-F133 HydrophobicContact CG2-CZ 3.95Å; T94-F133 VanDerWaalsContact O-CE1 3.29Å; T94-F133 WeakPolarHBondContact O-CE1 3.47Å |
| 95 | L | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -86.4 | -12.3 | -179.9 | -67.9 | 167.8 | 0 | 0 | 0 | 113.8 | L91 E92 Y98 Y99 V124 F133 F142 P143 Y148 | L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CG-CD1 4.28Å; L91-L95 PolarHBondContact O-N 2.71Å; E92-L95 CarbonylContact O-C 3.55Å; E92-L95 PolarHBondContact O-N 3.2Å; L95-Y98 WeakPolarHBondContact O-CB 3.45Å; L95-Y98 PolarHBondContact O-N 2.71Å; L95-Y99 HydrophobicContact CB-CD2 4.1Å; L95-Y99 HydrophobicContact CB-CE2 3.76Å; L95-Y99 WeakPolarHBondContact O-CD2 3.47Å; L95-Y99 PolarHBondContact O-N 3.38Å; L95-V124 HydrophobicContact CD2-CG1 4.15Å; L95-F133 HydrophobicContact CD2-CE2 4.47Å; L95-F133 HydrophobicContact CD2-CZ 4.03Å; L95-F142 HydrophobicContact CD1-CE1 4Å; L95-F142 HydrophobicContact CD1-CE2 4.22Å; L95-F142 HydrophobicContact CD1-CZ 3.38Å; L95-P143 HydrophobicContact CD1-CB 3.95Å; L95-Y148 HydrophobicContact CD1-CD2 4.32Å; L95-Y148 HydrophobicContact CD1-CE2 4.1Å |
| 96 | R | 96.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -51.1 | -43.5 | -178.2 | -167.6 | -179.1 | -57.1 | 144.8 | -0.9 | 114.6 | E92 R93 Y98 Y99 E100 | E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 PolarHBondContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.57Å; E92-R96 IonicContact OE1-NE 2.82Å; E92-R96 PolarHBondContact OE1-NE 3.13Å; E92-R96 IonicContact OE1-NH2 3.45Å; E92-R96 PolarHBondContact OE1-NH2 3.07Å; E92-R96 IonicContact OE2-CZ 3.57Å; E92-R96 IonicContact OE2-NE 3.61Å; E92-R96 IonicContact OE2-NH2 2.69Å; E92-R96 PolarHBondContact OE2-NH2 2.82Å; R93-R96 VanDerWaalsContact CG-NH2 3.28Å; R96-Y98 PolarHBondContact O-N 2.95Å; R96-Y98 VanDerWaalsContact O-N 3.17Å; R96-Y99 PolarHBondContact O-N 2.71Å; R96-E100 WeakPolarHBondContact CD-OE1 3.26Å; R96-E100 HydrophobicContact CG-CG 3.76Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 PolarHBondContact O-N 3.19Å |
| 97 | P | 95.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.3 | -33.8 | 178.9 | -19.9 | 29.4 | 0 | 0 | 0 | 113.2 | T25 Y27 T94 K101 | T25-P97 WeakPolarHBondContact O-CB 3.34Å; T25-P97 WeakPolarHBondContact O-CG 3.4Å; Y27-P97 HydrophobicContact CD1-CB 4.1Å; Y27-P97 HydrophobicContact CD1-CG 4.36Å; Y27-P97 HydrophobicContact CE1-CB 3.77Å; Y27-P97 HydrophobicContact CE1-CG 4.47Å; T94-P97 WeakPolarHBondContact O-CD 3.4Å; P97-K101 PolarHBondContact O-N 2.79Å |
| 98 | Y | 95.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 175.7 | 166.3 | -102.5 | 0 | 0 | 0 | 112 | L95 R96 M111 M126 K145 L188 | L95-Y98 WeakPolarHBondContact O-CB 3.45Å; L95-Y98 PolarHBondContact O-N 2.71Å; R96-Y98 PolarHBondContact O-N 2.95Å; R96-Y98 VanDerWaalsContact O-N 3.17Å; Y98-M111 HydrophobicContact CD1-CE 4.25Å; Y98-M111 HydrophobicContact CE1-CE 3.67Å; Y98-M111 HydrophobicContact CE2-CE 3.98Å; Y98-M126 HydrophobicContact CD2-CE 3.87Å; Y98-M126 HydrophobicContact CD2-SD 4.24Å; Y98-M126 HydrophobicContact CE2-CE 4.24Å; Y98-M126 HydrophobicContact CG-CE 4.26Å; Y98-K145 PolarHBondContact OH-O 2.94Å; Y98-L188 WeakPolarHBondContact OH-CD1 3.24Å |
| 99 | Y | 96.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.2 | -31.5 | -177.5 | -68.2 | -64.2 | 0 | 0 | 0 | 114.2 | L95 R96 K101 P143 P144 R146 T147 Y148 | L95-Y99 HydrophobicContact CB-CD2 4.1Å; L95-Y99 HydrophobicContact CB-CE2 3.76Å; L95-Y99 WeakPolarHBondContact O-CD2 3.47Å; L95-Y99 PolarHBondContact O-N 3.38Å; R96-Y99 PolarHBondContact O-N 2.71Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; Y99-P143 WeakPolarHBondContact OH-CB 3.29Å; Y99-P144 WeakPolarHBondContact CE1-O 3.45Å; Y99-P144 PolarHBondContact OH-O 3.19Å; Y99-R146 WeakPolarHBondContact CD1-O 3.4Å; Y99-T147 VanDerWaalsContact CE1-C 3.43Å; Y99-Y148 HydrophobicContact CD2-CD2 4.48Å; Y99-Y148 AromaticContact CE2-CD2 3.82Å; Y99-Y148 HydrophobicContact CE2-CD2 3.82Å; Y99-Y148 HydrophobicContact CE2-CG 4.31Å |
| 100 | E | 94.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 40.4 Ų | 40.4 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -76.6 | -22.2 | 179.3 | -74.1 | -179.7 | 160 | 0 | 0 | 112.9 | R96 P102 | R96-E100 WeakPolarHBondContact CD-OE1 3.26Å; R96-E100 HydrophobicContact CG-CG 3.76Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 PolarHBondContact O-N 3.19Å; E100-P102 VanDerWaalsContact C-CD 3.47Å |
| 101 | K | 92.7 | Very high | 95.2 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 50% | 0.496 | 19% | 0.19 | S | C | . | . | trans | -126 | 65.3 | -179.1 | -57.7 | -178.4 | -178.8 | 178 | 0 | 111.1 | P97 Y99 E103 D104 R109 | P97-K101 PolarHBondContact O-N 2.79Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.04Å; K101-D104 HydrophobicContact CB-CB 3.7Å; K101-D104 HydrophobicContact CD-CB 4.44Å; K101-D104 PolarHBondContact O-N 3.07Å; K101-D104 VanDerWaalsContact O-N 3.09Å; K101-R109 VanDerWaalsContact O-CZ 3.3Å; K101-R109 PolarHBondContact O-NH1 2.95Å; K101-R109 PolarHBondContact O-NH2 2.89Å | ||
| 102 | P | 89.7 | Confident | 95.1 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31 | -179.1 | 25.1 | -33.9 | 0 | 0 | 0 | 112.6 | E100 R105 R109 | E100-P102 VanDerWaalsContact C-CD 3.47Å; P102-R105 PolarHBondContact O-NH1 2.83Å; P102-R105 VanDerWaalsContact O-NH1 3.09Å; P102-R109 PolarHBondContact O-NH1 3.03Å |
| 103 | E | 91.1 | Very high | 95.1 | Very high | 137 Ų | 137 | 40 Ų | 40 | 64% | 0.64 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.2 | 178.5 | -56.9 | -51.3 | 152.6 | 0 | 0 | 114.6 | K101 R105 | K101-E103 PolarHBondContact O-N 3.04Å; E103-R105 VanDerWaalsContact C-NH1 3.32Å; E103-R105 WeakPolarHBondContact O-CG 3.41Å; E103-R105 PolarHBondContact O-N 3.49Å; E103-R105 PolarHBondContact O-NH1 2.04Å; E103-R105 IonicContact OE2-CZ 2.88Å; E103-R105 IonicContact OE2-NH1 3.68Å; E103-R105 IonicContact OE2-NH2 3.78Å; E103-R105 PolarHBondContact OE2-NH2 3.43Å |
| 104 | D | 91.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | trans | -69.5 | 132.4 | 177 | 151.8 | 41.1 | 0 | 0 | 0 | 110.8 | K101 D106 S107 R109 | K101-D104 HydrophobicContact CB-CB 3.7Å; K101-D104 HydrophobicContact CD-CB 4.44Å; K101-D104 PolarHBondContact O-N 3.07Å; K101-D104 VanDerWaalsContact O-N 3.09Å; D104-D106 PolarHBondContact OD1-N 3.37Å; D104-S107 PolarHBondContact OD1-N 2.97Å; D104-S107 PolarHBondContact OD1-OG 2.81Å; D104-S107 WeakPolarHBondContact OD2-CB 3.39Å; D104-S107 PolarHBondContact OD2-OG 2.99Å; D104-R109 VanDerWaalsContact CG-NH2 3.27Å; D104-R109 IonicContact OD2-CZ 3.86Å; D104-R109 IonicContact OD2-NE 3.6Å; D104-R109 IonicContact OD2-NH2 3.85Å; D104-R109 PolarHBondContact OD2-NH2 2.81Å | ||
| 105 | R | 88.7 | Confident | 94 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 41% | 0.408 | 21% | 0.207 | S | C | . | . | trans | -126.4 | 9.7 | -170.9 | -67.3 | -59.5 | 177.8 | -85.2 | -10.3 | 111.4 | P102 E103 Y190 | P102-R105 PolarHBondContact O-NH1 2.83Å; P102-R105 VanDerWaalsContact O-NH1 3.09Å; E103-R105 VanDerWaalsContact C-NH1 3.32Å; E103-R105 WeakPolarHBondContact O-CG 3.41Å; E103-R105 PolarHBondContact O-N 3.49Å; E103-R105 PolarHBondContact O-NH1 2.04Å; E103-R105 IonicContact OE2-CZ 2.88Å; E103-R105 IonicContact OE2-NH1 3.68Å; E103-R105 IonicContact OE2-NH2 3.78Å; E103-R105 PolarHBondContact OE2-NH2 3.43Å; R105-Y190 WeakPolarHBondContact CA-OH 3.38Å; R105-Y190 HydrophobicContact CB-CE1 4.11Å; R105-Y190 HydrophobicContact CB-CE2 4.22Å; R105-Y190 WeakPolarHBondContact CB-OH 3.38Å; R105-Y190 VanDerWaalsContact CD-CZ 3.46Å; R105-Y190 HydrophobicContact CG-CE2 4.19Å; R105-Y190 WeakPolarHBondContact O-CE1 3.37Å; R105-Y190 PolarHBondContact O-OH 2.98Å | ||
| 106 | D | 92 | Very high | 93 | Very high | 121 Ų | 121 | 46 Ų | 46 | 65% | 0.647 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -108.5 | -12.2 | 178.4 | -57.4 | -36.6 | 0 | 0 | 0 | 111.2 | D104 P192 | D104-D106 PolarHBondContact OD1-N 3.37Å; D106-P192 VanDerWaalsContact O-CG 3.3Å; D106-P192 WeakPolarHBondContact O-CG 3.16Å |
| 107 | S | 95.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -101.3 | 133.4 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | Y27 D104 R109 S127 Y190 P192 | Y27-S107 VanDerWaalsContact CE2-CB 3.46Å; Y27-S107 WeakPolarHBondContact CE2-OG 3.25Å; D104-S107 PolarHBondContact OD1-N 2.97Å; D104-S107 PolarHBondContact OD1-OG 2.81Å; D104-S107 WeakPolarHBondContact OD2-CB 3.39Å; D104-S107 PolarHBondContact OD2-OG 2.99Å; S107-R109 PolarHBondContact O-N 2.63Å; S107-S127 CarbonylContact C-O 3.56Å; S107-S127 WeakPolarHBondContact CA-O 3.19Å; S107-S127 WeakPolarHBondContact CB-O 3.48Å; S107-Y190 VanDerWaalsContact O-CD1 3.26Å; S107-Y190 WeakPolarHBondContact O-CD1 3.32Å; S107-P192 VanDerWaalsContact C-CG 3.49Å |
| 108 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 130.2 | 166.7 | 175 | 68.4 | 0 | 0 | 0 | 109.2 | L125 M126 S127 L172 L191 F195 | L108-L125 HydrophobicContact CD2-CD2 4.23Å; L108-L125 HydrophobicContact CD2-CG 4.42Å; L108-M126 VanDerWaalsContact O-CA 3.32Å; L108-M126 WeakPolarHBondContact O-CA 3.43Å; L108-S127 PolarHBondContact N-O 3.22Å; L108-S127 PolarHBondContact O-N 3.1Å; L108-L172 HydrophobicContact CD2-CD1 3.95Å; L108-L172 HydrophobicContact CD2-CD2 4.32Å; L108-L191 HydrophobicContact CD1-CD2 3.34Å; L108-F195 HydrophobicContact CB-CD2 4Å; L108-F195 HydrophobicContact CB-CE1 4.4Å; L108-F195 HydrophobicContact CB-CE2 3.84Å; L108-F195 HydrophobicContact CB-CG 4.36Å; L108-F195 HydrophobicContact CB-CZ 4.06Å; L108-F195 HydrophobicContact CD1-CB 4.27Å; L108-F195 HydrophobicContact CD1-CD1 4.21Å; L108-F195 HydrophobicContact CD1-CD2 4.44Å; L108-F195 HydrophobicContact CD1-CG 4.05Å; L108-F195 HydrophobicContact CD2-CD1 4Å; L108-F195 HydrophobicContact CD2-CE1 3.83Å; L108-F195 HydrophobicContact CD2-CZ 4.22Å; L108-F195 HydrophobicContact CG-CD1 4.48Å |
| 109 | R | 97.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 123.3 | 173.1 | -54.3 | 171.5 | 178.8 | -160.1 | -11.6 | 108.4 | Y27 K101 P102 D104 S107 M126 L188 H189 Y190 | Y27-R109 PolarHBondContact OH-NH2 2.85Å; K101-R109 VanDerWaalsContact O-CZ 3.3Å; K101-R109 PolarHBondContact O-NH1 2.95Å; K101-R109 PolarHBondContact O-NH2 2.89Å; P102-R109 PolarHBondContact O-NH1 3.03Å; D104-R109 VanDerWaalsContact CG-NH2 3.27Å; D104-R109 IonicContact OD2-CZ 3.86Å; D104-R109 IonicContact OD2-NE 3.6Å; D104-R109 IonicContact OD2-NH2 3.85Å; D104-R109 PolarHBondContact OD2-NH2 2.81Å; S107-R109 PolarHBondContact O-N 2.63Å; R109-M126 VanDerWaalsContact CA-SD 3.54Å; R109-M126 HydrophobicContact CB-CE 4.03Å; R109-M126 HydrophobicContact CB-SD 3.56Å; R109-M126 VanDerWaalsContact CB-SD 3.56Å; R109-M126 HydrophobicContact CG-CE 4.48Å; R109-M126 HydrophobicContact CG-SD 3.58Å; R109-M126 VanDerWaalsContact CG-SD 3.58Å; R109-L188 HydrophobicContact CB-CD2 4.29Å; R109-H189 CarbonylContact O-C 3.6Å; R109-H189 WeakPolarHBondContact O-CA 3.3Å; R109-Y190 PolarHBondContact N-O 3.33Å; R109-Y190 PolarHBondContact O-N 3.41Å |
| 110 | L | 97.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 126.1 | 177.8 | -167.7 | 162.6 | 0 | 0 | 0 | 108.4 | Y112 V124 L125 V186 L188 L203 | L110-Y112 HydrophobicContact CD2-CD1 3.39Å; L110-Y112 HydrophobicContact CD2-CE1 4.33Å; L110-Y112 HydrophobicContact CD2-CG 4.03Å; L110-V124 WeakPolarHBondContact O-CA 3.27Å; L110-L125 HydrophobicContact CB-CB 4.29Å; L110-L125 PolarHBondContact N-O 3.5Å; L110-L125 PolarHBondContact O-N 3.18Å; L110-V186 HydrophobicContact CD1-CG1 4.41Å; L110-V186 HydrophobicContact CD2-CG1 4.01Å; L110-V186 HydrophobicContact CD2-CG2 4.17Å; L110-V186 HydrophobicContact CG-CG1 3.81Å; L110-L188 CarbonylContact C-O 3.54Å; L110-L188 WeakPolarHBondContact CA-O 3.09Å; L110-L203 HydrophobicContact CD1-CD2 3.64Å; L110-L203 HydrophobicContact CD1-CG 4.36Å |
| 111 | M | 98 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.3 | 168.1 | -51 | 175.6 | 177.6 | 0 | 0 | 108.9 | Y98 G123 V124 M126 P143 Y187 L188 | Y98-M111 HydrophobicContact CD1-CE 4.25Å; Y98-M111 HydrophobicContact CE1-CE 3.67Å; Y98-M111 HydrophobicContact CE2-CE 3.98Å; M111-G123 WeakPolarHBondContact CA-O 3.35Å; M111-V124 HydrophobicContact CG-CG1 4.37Å; M111-V124 HydrophobicContact CG-CG2 4.3Å; M111-M126 HydrophobicContact CE-CE 3.62Å; M111-M126 HydrophobicContact CG-CE 4.18Å; M111-P143 HydrophobicContact CE-CG 3.67Å; M111-P143 HydrophobicContact SD-CG 3.91Å; M111-Y187 HydrophobicContact CB-CD2 4.18Å; M111-Y187 HydrophobicContact CB-CE1 4.25Å; M111-Y187 HydrophobicContact CB-CE2 3.41Å; M111-Y187 VanDerWaalsContact CB-CE2 3.41Å; M111-Y187 VanDerWaalsContact CB-CZ 3.46Å; M111-Y187 WeakPolarHBondContact CB-OH 3.44Å; M111-Y187 HydrophobicContact CG-CE2 4.37Å; M111-Y187 PolarHBondContact O-N 3.05Å; M111-Y187 HydrophobicContact SD-CE2 4.1Å; M111-L188 HydrophobicContact CB-CB 4.03Å; M111-L188 HydrophobicContact CE-CD1 4.41Å; M111-L188 HydrophobicContact CE-CD2 4.42Å; M111-L188 HydrophobicContact CG-CB 4.18Å; M111-L188 HydrophobicContact CG-CD2 4.09Å; M111-L188 PolarHBondContact N-O 2.88Å; M111-L188 PolarHBondContact O-N 3.4Å; M111-L188 HydrophobicContact SD-CB 4.19Å; M111-L188 HydrophobicContact SD-CD1 4.03Å; M111-L188 HydrophobicContact SD-CD2 4.26Å; M111-L188 HydrophobicContact SD-CG 4.39Å |
| 112 | Y | 97.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165.3 | -173.8 | 69.7 | -88.1 | 0 | 0 | 0 | 111.9 | L110 Y122 G123 W134 L136 L179 P184 W185 Y187 | L110-Y112 HydrophobicContact CD2-CD1 3.39Å; L110-Y112 HydrophobicContact CD2-CE1 4.33Å; L110-Y112 HydrophobicContact CD2-CG 4.03Å; Y112-Y122 VanDerWaalsContact O-CA 3.27Å; Y112-Y122 WeakPolarHBondContact O-CA 3.25Å; Y112-G123 VanDerWaalsContact CD1-O 3.29Å; Y112-G123 WeakPolarHBondContact CD1-O 3.31Å; Y112-G123 VanDerWaalsContact CE1-CA 3.41Å; Y112-G123 PolarHBondContact N-O 3.46Å; Y112-G123 PolarHBondContact O-N 3.41Å; Y112-W134 AromaticContact CE1-NE1 3.98Å; Y112-W134 AromaticContact CZ-NE1 3.87Å; Y112-W134 WeakPolarHBondContact OH-CZ2 3Å; Y112-W134 PolarHBondContact OH-NE1 3.38Å; Y112-L136 WeakPolarHBondContact OH-CD2 3.18Å; Y112-L179 HydrophobicContact CD1-CD2 3.87Å; Y112-L179 HydrophobicContact CD2-CD1 3.95Å; Y112-L179 HydrophobicContact CD2-CD2 4.29Å; Y112-L179 HydrophobicContact CE1-CD1 4.37Å; Y112-L179 HydrophobicContact CE1-CD2 3.57Å; Y112-L179 HydrophobicContact CE2-CD1 3.38Å; Y112-L179 HydrophobicContact CE2-CD2 4.06Å; Y112-L179 HydrophobicContact CE2-CG 4.37Å; Y112-L179 HydrophobicContact CG-CD2 4.19Å; Y112-P184 HydrophobicContact CD2-CB 3.64Å; Y112-P184 HydrophobicContact CD2-CG 4.41Å; Y112-P184 HydrophobicContact CE2-CB 4.47Å; Y112-P184 HydrophobicContact CG-CB 4.21Å; Y112-W185 CarbonylContact C-O 3.54Å; Y112-W185 WeakPolarHBondContact CA-O 3.09Å; Y112-Y187 WeakPolarHBondContact O-CE1 3.48Å |
| 113 | T | 96.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.8 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | K115 S121 Y122 P184 W185 Y187 | T113-K115 HydrophobicContact CG2-CB 4.18Å; T113-K115 WeakPolarHBondContact OG1-CB 3.2Å; T113-K115 PolarHBondContact OG1-N 3.01Å; T113-S121 VanDerWaalsContact CA-O 3.3Å; T113-S121 WeakPolarHBondContact CA-O 2.93Å; T113-S121 PolarHBondContact OG1-O 3.3Å; T113-Y122 VanDerWaalsContact CB-CD1 3.45Å; T113-Y122 HydrophobicContact CG2-CE1 4.42Å; T113-Y122 WeakPolarHBondContact OG1-CD1 3.46Å; T113-Y122 WeakPolarHBondContact OG1-CE1 3.32Å; T113-P184 CarbonylContact O-C 3.57Å; T113-P184 WeakPolarHBondContact O-CA 3.16Å; T113-W185 HydrophobicContact CG2-CB 4.08Å; T113-W185 HydrophobicContact CG2-CE3 3.7Å; T113-W185 PolarHBondContact N-O 2.9Å; T113-W185 PolarHBondContact O-N 2.85Å; T113-Y187 HydrophobicContact CG2-CD1 4.21Å; T113-Y187 HydrophobicContact CG2-CE1 4.43Å |
| 114 | T | 91.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | trans | -108.4 | 26.6 | 165.3 | 56 | 0 | 0 | 0 | 0 | 110.5 | V116 S121 E182 P184 | T114-V116 PolarHBondContact O-N 3.36Å; T114-S121 PolarHBondContact N-O 2.79Å; T114-E182 HydrophobicContact CG2-CB 3.77Å; T114-E182 WeakPolarHBondContact CG2-OE2 3.11Å; T114-P184 HydrophobicContact CG2-CB 3.87Å | ||
| 115 | K | 80.4 | Confident | 90.3 | Very high | 97 Ų | 97 | 29.6 Ų | 29.6 | 42% | 0.422 | 16% | 0.162 | S | C | . | . | trans | -55.9 | 125.3 | 179.3 | 177.7 | 174.9 | -164.8 | 154 | 0 | 110.5 | T113 R119 N120 Y122 D140 | T113-K115 HydrophobicContact CG2-CB 4.18Å; T113-K115 WeakPolarHBondContact OG1-CB 3.2Å; T113-K115 PolarHBondContact OG1-N 3.01Å; K115-R119 VanDerWaalsContact CA-O 3.27Å; K115-R119 WeakPolarHBondContact CA-O 3.33Å; K115-N120 WeakPolarHBondContact CD-OD1 3.48Å; K115-N120 WeakPolarHBondContact CE-OD1 3.32Å; K115-N120 WeakPolarHBondContact CG-OD1 3.3Å; K115-N120 PolarHBondContact NZ-OD1 2.75Å; K115-Y122 WeakPolarHBondContact CD-OH 3.08Å; K115-Y122 PolarHBondContact NZ-OH 2.98Å; K115-D140 IonicContact NZ-OD1 3.14Å; K115-D140 PolarHBondContact NZ-OD1 3.36Å; K115-D140 IonicContact NZ-OD2 3.8Å; K115-D140 PolarHBondContact NZ-OD2 3.04Å | ||
| 116 | V | 77.4 | Confident | 90.7 | Very high | 47 Ų | 47 | 24.4 Ų | 24.4 | 29% | 0.285 | 14% | 0.143 | S | C | . | . | B | Isolated β-bridge | trans | -123.5 | 164.7 | 168.2 | -67.3 | 0 | 0 | 0 | 0 | 107.4 | T114 A118 R119 L330 | T114-V116 PolarHBondContact O-N 3.36Å; V116-A118 PolarHBondContact O-N 2.85Å; V116-R119 HydrophobicContact CG2-CB 3.83Å; V116-R119 PolarHBondContact N-O 3.42Å; V116-R119 VanDerWaalsContact N-O 3.1Å; V116-R119 PolarHBondContact O-N 2.89Å; V116-L330 HydrophobicContact CG2-CD1 4.18Å |
| 117 | S | 68.9 | Low | 91 | Very high | 104 Ų | 104 | 18.7 Ų | 18.7 | 73% | 0.727 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -25 | -168.6 | 70.4 | 0 | 0 | 0 | 0 | 116 | R326 | S117-R326 PolarHBondContact OG-NH2 2.6Š|
| 118 | A | 67.2 | Low | 90.9 | Very high | 53 Ų | 53 | 19.6 Ų | 19.6 | 44% | 0.438 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -4.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V116 | V116-A118 PolarHBondContact O-N 2.85Š|
| 119 | R | 75.3 | Confident | 90.7 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -152.7 | 134.4 | -161.4 | -173.3 | 174.5 | 91.7 | 179 | 4.8 | 112.8 | K115 V116 N320 S321 E327 D331 | K115-R119 VanDerWaalsContact CA-O 3.27Å; K115-R119 WeakPolarHBondContact CA-O 3.33Å; V116-R119 HydrophobicContact CG2-CB 3.83Å; V116-R119 PolarHBondContact N-O 3.42Å; V116-R119 VanDerWaalsContact N-O 3.1Å; V116-R119 PolarHBondContact O-N 2.89Å; R119-N320 WeakPolarHBondContact CD-O 3.5Å; R119-N320 WeakPolarHBondContact CG-O 3.35Å; R119-N320 PolarHBondContact NE-O 3.48Å; R119-N320 PolarHBondContact NH1-O 3.1Å; R119-S321 VanDerWaalsContact NH1-CB 3.27Å; R119-S321 PolarHBondContact NH1-OG 3.41Å; R119-S321 VanDerWaalsContact NH1-OG 3.17Å; R119-E327 VanDerWaalsContact CD-OE1 3.25Å; R119-E327 WeakPolarHBondContact CD-OE1 3.09Å; R119-E327 IonicContact CZ-OE1 2.62Å; R119-E327 IonicContact CZ-OE2 3.05Å; R119-E327 IonicContact NE-OE1 2.68Å; R119-E327 IonicContact NH1-OE1 3.04Å; R119-E327 PolarHBondContact NH1-OE1 3.17Å; R119-E327 IonicContact NH1-OE2 3.77Å; R119-E327 PolarHBondContact NH1-OE2 2.99Å; R119-D331 PolarHBondContact NH2-O 3.3Å |
| 120 | N | 86.1 | Confident | 90.5 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | trans | -113 | 116.8 | 177.5 | -69.6 | -21.9 | 0 | 0 | 0 | 108.3 | K115 Y122 D138 | K115-N120 WeakPolarHBondContact CD-OD1 3.48Å; K115-N120 WeakPolarHBondContact CE-OD1 3.32Å; K115-N120 WeakPolarHBondContact CG-OD1 3.3Å; K115-N120 PolarHBondContact NZ-OD1 2.75Å; N120-Y122 HydrophobicContact CB-CE2 3.78Å; N120-D138 WeakPolarHBondContact CB-O 3.43Å; N120-D138 WeakPolarHBondContact O-CA 3.36Å | ||
| 121 | S | 95.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | trans | -141.3 | 135.9 | 168.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | T113 T114 N320 | T113-S121 VanDerWaalsContact CA-O 3.3Å; T113-S121 WeakPolarHBondContact CA-O 2.93Å; T113-S121 PolarHBondContact OG1-O 3.3Å; T114-S121 PolarHBondContact N-O 2.79Å; S121-N320 WeakPolarHBondContact OG-CB 3.26Å | ||
| 122 | Y | 97.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.7 | -172.2 | -58.3 | -82.6 | 0 | 0 | 0 | 109.3 | Y112 T113 K115 N120 H137 A139 D140 Y187 | Y112-Y122 VanDerWaalsContact O-CA 3.27Å; Y112-Y122 WeakPolarHBondContact O-CA 3.25Å; T113-Y122 VanDerWaalsContact CB-CD1 3.45Å; T113-Y122 HydrophobicContact CG2-CE1 4.42Å; T113-Y122 WeakPolarHBondContact OG1-CD1 3.46Å; T113-Y122 WeakPolarHBondContact OG1-CE1 3.32Å; K115-Y122 WeakPolarHBondContact CD-OH 3.08Å; K115-Y122 PolarHBondContact NZ-OH 2.98Å; N120-Y122 HydrophobicContact CB-CE2 3.78Å; Y122-H137 WeakPolarHBondContact CB-CE1 3.06Å; Y122-H137 WeakPolarHBondContact CB-NE2 3.38Å; Y122-H137 AromaticContact CD2-CE1 3.69Å; Y122-H137 AromaticContact CD2-ND1 3.81Å; Y122-H137 AromaticContact CG-CE1 3.63Å; Y122-H137 PolarHBondContact N-O 3.2Å; Y122-H137 PolarHBondContact O-N 3.23Å; Y122-A139 WeakPolarHBondContact CD2-O 3.39Å; Y122-A139 WeakPolarHBondContact CE2-O 3.38Å; Y122-D140 HydrophobicContact CE2-CB 4.47Å; Y122-D140 PolarHBondContact OH-OD1 2.74Å; Y122-Y187 HydrophobicContact CD1-CE1 4.25Å |
| 123 | G | 98.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M111 Y112 L135 | M111-G123 WeakPolarHBondContact CA-O 3.35Å; Y112-G123 VanDerWaalsContact CD1-O 3.29Å; Y112-G123 WeakPolarHBondContact CD1-O 3.31Å; Y112-G123 VanDerWaalsContact CE1-CA 3.41Å; Y112-G123 PolarHBondContact N-O 3.46Å; Y112-G123 PolarHBondContact O-N 3.41Å; G123-L135 CarbonylContact C-O 3.38Å; G123-L135 WeakPolarHBondContact CA-O 2.87Å |
| 124 | V | 98.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.9 | 176 | -177.3 | 0 | 0 | 0 | 0 | 107 | L95 L110 M111 M126 F133 W134 L135 P143 | L95-V124 HydrophobicContact CD2-CG1 4.15Å; L110-V124 WeakPolarHBondContact O-CA 3.27Å; M111-V124 HydrophobicContact CG-CG1 4.37Å; M111-V124 HydrophobicContact CG-CG2 4.3Å; V124-M126 HydrophobicContact CG1-CE 3.51Å; V124-M126 HydrophobicContact CG1-CG 3.77Å; V124-M126 HydrophobicContact CG1-SD 4.5Å; V124-F133 HydrophobicContact CB-CE2 4.46Å; V124-F133 HydrophobicContact CG1-CE2 3.99Å; V124-F133 HydrophobicContact CG1-CZ 4.38Å; V124-W134 WeakPolarHBondContact O-CA 3.45Å; V124-L135 HydrophobicContact CB-CB 4.19Å; V124-L135 HydrophobicContact CB-CD2 4.4Å; V124-L135 HydrophobicContact CG2-CD2 4.35Å; V124-L135 PolarHBondContact N-O 2.97Å; V124-L135 PolarHBondContact O-N 3.21Å; V124-P143 HydrophobicContact CG2-CG 3.82Å |
| 125 | L | 98.4 | Very high | 91 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.3 | 176.7 | -167.5 | 68.9 | 0 | 0 | 0 | 107.8 | L108 L110 W134 L172 I175 | L108-L125 HydrophobicContact CD2-CD2 4.23Å; L108-L125 HydrophobicContact CD2-CG 4.42Å; L110-L125 HydrophobicContact CB-CB 4.29Å; L110-L125 PolarHBondContact N-O 3.5Å; L110-L125 PolarHBondContact O-N 3.18Å; L125-W134 HydrophobicContact CD1-CB 3.67Å; L125-W134 HydrophobicContact CD1-CG 3.88Å; L125-L172 HydrophobicContact CD1-CD2 3.56Å; L125-L172 HydrophobicContact CD2-CD2 3.8Å; L125-L172 HydrophobicContact CG-CD2 3.71Å; L125-I175 HydrophobicContact CD1-CG2 4.29Å; L125-I175 HydrophobicContact CD2-CG2 4.3Å |
| 126 | M | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138 | -176.9 | -60.6 | -77 | 172.4 | 0 | 0 | 109.3 | Y27 Y98 L108 R109 M111 V124 A132 F133 | Y27-M126 HydrophobicContact CD1-CB 3.39Å; Y27-M126 HydrophobicContact CD1-CG 4.3Å; Y27-M126 HydrophobicContact CE1-CB 3.58Å; Y27-M126 HydrophobicContact CE1-CG 4.14Å; Y27-M126 HydrophobicContact CE1-SD 4.36Å; Y27-M126 HydrophobicContact CG-CB 4.06Å; Y98-M126 HydrophobicContact CD2-CE 3.87Å; Y98-M126 HydrophobicContact CD2-SD 4.24Å; Y98-M126 HydrophobicContact CE2-CE 4.24Å; Y98-M126 HydrophobicContact CG-CE 4.26Å; L108-M126 VanDerWaalsContact O-CA 3.32Å; L108-M126 WeakPolarHBondContact O-CA 3.43Å; R109-M126 VanDerWaalsContact CA-SD 3.54Å; R109-M126 HydrophobicContact CB-CE 4.03Å; R109-M126 HydrophobicContact CB-SD 3.56Å; R109-M126 VanDerWaalsContact CB-SD 3.56Å; R109-M126 HydrophobicContact CG-CE 4.48Å; R109-M126 HydrophobicContact CG-SD 3.58Å; R109-M126 VanDerWaalsContact CG-SD 3.58Å; M111-M126 HydrophobicContact CE-CE 3.62Å; M111-M126 HydrophobicContact CG-CE 4.18Å; V124-M126 HydrophobicContact CG1-CE 3.51Å; V124-M126 HydrophobicContact CG1-CG 3.77Å; V124-M126 HydrophobicContact CG1-SD 4.5Å; M126-A132 CarbonylContact O-C 3.49Å; M126-A132 VanDerWaalsContact O-CA 3.23Å; M126-A132 WeakPolarHBondContact O-CA 3.23Å; M126-F133 HydrophobicContact CB-CD1 4.28Å; M126-F133 HydrophobicContact CB-CE1 3.78Å; M126-F133 HydrophobicContact CB-CE2 4.16Å; M126-F133 HydrophobicContact CB-CZ 3.68Å; M126-F133 HydrophobicContact CG-CE1 4.12Å; M126-F133 HydrophobicContact CG-CE2 3.99Å; M126-F133 HydrophobicContact CG-CZ 3.53Å; M126-F133 PolarHBondContact N-O 3.23Å; M126-F133 VanDerWaalsContact N-O 3.12Å; M126-F133 PolarHBondContact O-N 2.52Å |
| 127 | S | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 146 | 179.7 | -164.8 | 0 | 0 | 0 | 0 | 112.2 | Y27 S107 L108 N131 L172 | Y27-S127 VanDerWaalsContact CD2-C 3.48Å; S107-S127 CarbonylContact C-O 3.56Å; S107-S127 WeakPolarHBondContact CA-O 3.19Å; S107-S127 WeakPolarHBondContact CB-O 3.48Å; L108-S127 PolarHBondContact N-O 3.22Å; L108-S127 PolarHBondContact O-N 3.1Å; S127-N131 CarbonylContact C-O 3.49Å; S127-N131 VanDerWaalsContact CA-O 3.24Å; S127-N131 WeakPolarHBondContact CA-O 2.99Å; S127-N131 PolarHBondContact OG-O 2.87Å; S127-N131 VanDerWaalsContact OG-O 3.07Å; S127-L172 VanDerWaalsContact CB-CD1 3.49Å; S127-L172 WeakPolarHBondContact OG-CD1 3.46Å |
| 128 | N | 94.5 | Very high | 94.2 | Very high | 27 Ų | 27 | 17 Ų | 17 | 14% | 0.144 | 10% | 0.099 | C | C | . | . | trans | -111.6 | -174.9 | 155.7 | 63.8 | 8.5 | 0 | 0 | 0 | 108.3 | D26 Y27 E130 N131 P169 | D26-N128 PolarHBondContact OD1-ND2 3.38Å; D26-N128 PolarHBondContact OD1-OD1 2.99Å; Y27-N128 HydrophobicContact CD2-CB 3.81Å; Y27-N128 HydrophobicContact CE2-CB 4.22Å; N128-E130 PolarHBondContact O-N 3.39Å; N128-E130 PolarHBondContact OD1-N 3.34Å; N128-N131 PolarHBondContact N-O 3.3Å; N128-N131 PolarHBondContact OD1-N 3.23Å; N128-N131 PolarHBondContact OD1-O 3.06Å; N128-N131 VanDerWaalsContact OD1-O 3.04Å; N128-P169 WeakPolarHBondContact O-CG 3.28Å | ||
| 129 | P | 92.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 14.5 Ų | 14.5 | 58% | 0.584 | 8% | 0.078 | S | C | * | . | S | Bend | trans | -59.8 | -24.5 | -180 | -28 | 37.6 | 0 | 0 | 0 | 115 | ||
| 130 | E | 93.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 17 Ų | 17 | 51% | 0.514 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -99.8 | -33.1 | -173.7 | -63 | 77 | -166.9 | 0 | 0 | 114.2 | N128 K223 | N128-E130 PolarHBondContact O-N 3.39Å; N128-E130 PolarHBondContact OD1-N 3.34Å; E130-K223 PolarHBondContact O-NZ 3.27Å |
| 131 | N | 96.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.064 | 11% | 0.11 | C | C | . | . | trans | -144.5 | 146.5 | -168.4 | -59.2 | -72.9 | 0 | 0 | 0 | 112.1 | D26 Y27 L28 S127 N128 K223 | D26-N131 WeakPolarHBondContact OD1-CB 3.23Å; D26-N131 PolarHBondContact OD1-ND2 2.77Å; D26-N131 PolarHBondContact OD2-ND2 2.87Å; Y27-N131 CarbonylContact O-C 3.59Å; Y27-N131 WeakPolarHBondContact O-CB 3.48Å; L28-N131 HydrophobicContact CD2-CB 3.85Å; L28-N131 HydrophobicContact CG-CB 3.93Å; S127-N131 CarbonylContact C-O 3.49Å; S127-N131 VanDerWaalsContact CA-O 3.24Å; S127-N131 WeakPolarHBondContact CA-O 2.99Å; S127-N131 PolarHBondContact OG-O 2.87Å; S127-N131 VanDerWaalsContact OG-O 3.07Å; N128-N131 PolarHBondContact N-O 3.3Å; N128-N131 PolarHBondContact OD1-N 3.23Å; N128-N131 PolarHBondContact OD1-O 3.06Å; N128-N131 VanDerWaalsContact OD1-O 3.04Å; N131-K223 VanDerWaalsContact OD1-CD 3.26Å; N131-K223 WeakPolarHBondContact OD1-CD 3.26Å; N131-K223 WeakPolarHBondContact OD1-CE 3.4Å; N131-K223 PolarHBondContact OD1-NZ 3.03Å | ||
| 132 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y27 M126 S166 F167 L172 | Y27-A132 CarbonylContact O-C 3.59Å; Y27-A132 WeakPolarHBondContact O-CA 3.16Å; Y27-A132 PolarHBondContact O-N 2.79Å; M126-A132 CarbonylContact O-C 3.49Å; M126-A132 VanDerWaalsContact O-CA 3.23Å; M126-A132 WeakPolarHBondContact O-CA 3.23Å; A132-S166 CarbonylContact O-C 3.6Å; A132-S166 WeakPolarHBondContact O-CA 3.33Å; A132-F167 HydrophobicContact CB-CB 4.41Å; A132-F167 PolarHBondContact N-O 3.12Å; A132-F167 PolarHBondContact O-N 3.12Å; A132-L172 HydrophobicContact CB-CD1 4.11Å; A132-L172 HydrophobicContact CB-CD2 3.88Å; A132-L172 HydrophobicContact CB-CG 4.13Å |
| 133 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.7 | 159.8 | 73.4 | -107.6 | 0 | 0 | 0 | 110.9 | Y27 T94 L95 V124 M126 L135 V165 | Y27-F133 HydrophobicContact CD1-CD1 4.21Å; Y27-F133 AromaticContact CD1-CE1 3.71Å; Y27-F133 HydrophobicContact CD1-CE1 3.71Å; Y27-F133 PolarHBondContact O-N 3.29Å; T94-F133 HydrophobicContact CG2-CD1 3.87Å; T94-F133 HydrophobicContact CG2-CD2 4.2Å; T94-F133 HydrophobicContact CG2-CE1 3.76Å; T94-F133 HydrophobicContact CG2-CE2 4.17Å; T94-F133 HydrophobicContact CG2-CG 4.09Å; T94-F133 HydrophobicContact CG2-CZ 3.95Å; T94-F133 VanDerWaalsContact O-CE1 3.29Å; T94-F133 WeakPolarHBondContact O-CE1 3.47Å; L95-F133 HydrophobicContact CD2-CE2 4.47Å; L95-F133 HydrophobicContact CD2-CZ 4.03Å; V124-F133 HydrophobicContact CB-CE2 4.46Å; V124-F133 HydrophobicContact CG1-CE2 3.99Å; V124-F133 HydrophobicContact CG1-CZ 4.38Å; M126-F133 HydrophobicContact CB-CD1 4.28Å; M126-F133 HydrophobicContact CB-CE1 3.78Å; M126-F133 HydrophobicContact CB-CE2 4.16Å; M126-F133 HydrophobicContact CB-CZ 3.68Å; M126-F133 HydrophobicContact CG-CE1 4.12Å; M126-F133 HydrophobicContact CG-CE2 3.99Å; M126-F133 HydrophobicContact CG-CZ 3.53Å; M126-F133 PolarHBondContact N-O 3.23Å; M126-F133 VanDerWaalsContact N-O 3.12Å; M126-F133 PolarHBondContact O-N 2.52Å; F133-L135 HydrophobicContact CD2-CB 4.12Å; F133-L135 HydrophobicContact CE2-CB 4.09Å; F133-V165 CarbonylContact C-O 3.08Å; F133-V165 WeakPolarHBondContact CA-O 3.29Å |
| 134 | W | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.1 | 168.5 | -175.3 | 24.6 | 0 | 0 | 0 | 108.9 | Y112 V124 L125 L136 C164 V165 F167 I175 L220 Y235 V335 | Y112-W134 AromaticContact CE1-NE1 3.98Å; Y112-W134 AromaticContact CZ-NE1 3.87Å; Y112-W134 WeakPolarHBondContact OH-CZ2 3Å; Y112-W134 PolarHBondContact OH-NE1 3.38Å; V124-W134 WeakPolarHBondContact O-CA 3.45Å; L125-W134 HydrophobicContact CD1-CB 3.67Å; L125-W134 HydrophobicContact CD1-CG 3.88Å; W134-L136 HydrophobicContact CD2-CG 4.45Å; W134-L136 HydrophobicContact CH2-CD1 4.29Å; W134-L136 HydrophobicContact CZ2-CD1 4.12Å; W134-L136 HydrophobicContact CZ2-CD2 3.64Å; W134-L136 HydrophobicContact CZ2-CG 4.19Å; W134-C164 CarbonylContact O-C 3.49Å; W134-C164 WeakPolarHBondContact O-CA 3.5Å; W134-V165 PolarHBondContact N-O 3.12Å; W134-V165 PolarHBondContact O-N 2.85Å; W134-F167 HydrophobicContact CB-CD2 4.25Å; W134-F167 HydrophobicContact CB-CE2 4.1Å; W134-F167 HydrophobicContact CE3-CE2 4.11Å; W134-I175 HydrophobicContact CD2-CG2 4.14Å; W134-I175 HydrophobicContact CE3-CD1 4.2Å; W134-I175 HydrophobicContact CE3-CG1 4.37Å; W134-I175 HydrophobicContact CE3-CG2 4.2Å; W134-I175 HydrophobicContact CH2-CG2 4.49Å; W134-I175 HydrophobicContact CZ2-CG2 4.41Å; W134-I175 HydrophobicContact CZ3-CG2 4.38Å; W134-L220 HydrophobicContact CZ3-CD1 4.43Å; W134-Y235 AromaticContact CH2-CD1 3.56Å; W134-Y235 HydrophobicContact CH2-CD1 3.56Å; W134-Y235 AromaticContact CH2-CD2 3.98Å; W134-Y235 HydrophobicContact CH2-CD2 3.98Å; W134-Y235 AromaticContact CH2-CE1 3.39Å; W134-Y235 HydrophobicContact CH2-CE1 3.39Å; W134-Y235 AromaticContact CH2-CE2 3.82Å; W134-Y235 HydrophobicContact CH2-CE2 3.82Å; W134-Y235 AromaticContact CH2-CG 3.86Å; W134-Y235 HydrophobicContact CH2-CG 3.86Å; W134-Y235 AromaticContact CH2-CZ 3.52Å; W134-Y235 HydrophobicContact CZ2-CE1 4.01Å; W134-Y235 HydrophobicContact CZ2-CE2 4.46Å; W134-Y235 AromaticContact CZ2-CZ 3.95Å; W134-Y235 AromaticContact CZ3-CD1 3.94Å; W134-Y235 HydrophobicContact CZ3-CD1 3.94Å; W134-Y235 HydrophobicContact CZ3-CE1 4.17Å; W134-Y235 HydrophobicContact CZ3-CG 4.21Å; W134-V335 HydrophobicContact CH2-CG2 3.48Å; W134-V335 VanDerWaalsContact CH2-CG2 3.48Å; W134-V335 HydrophobicContact CZ2-CG2 4.35Å; W134-V335 HydrophobicContact CZ3-CG1 4.22Å; W134-V335 HydrophobicContact CZ3-CG2 3.79Å |
| 135 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.3 | 177.8 | 171.3 | 72.4 | 0 | 0 | 0 | 108.8 | F41 L91 G123 V124 F133 F142 L162 F163 C164 | F41-L135 HydrophobicContact CZ-CD1 4.46Å; L91-L135 HydrophobicContact CD1-CD1 4.23Å; L91-L135 HydrophobicContact CD1-CD2 3.77Å; G123-L135 CarbonylContact C-O 3.38Å; G123-L135 WeakPolarHBondContact CA-O 2.87Å; V124-L135 HydrophobicContact CB-CB 4.19Å; V124-L135 HydrophobicContact CB-CD2 4.4Å; V124-L135 HydrophobicContact CG2-CD2 4.35Å; V124-L135 PolarHBondContact N-O 2.97Å; V124-L135 PolarHBondContact O-N 3.21Å; F133-L135 HydrophobicContact CD2-CB 4.12Å; F133-L135 HydrophobicContact CE2-CB 4.09Å; L135-F142 HydrophobicContact CD2-CE1 4.21Å; L135-L162 HydrophobicContact CD1-CB 4.21Å; L135-F163 CarbonylContact C-O 3.6Å; L135-F163 WeakPolarHBondContact CA-O 3.36Å; L135-C164 HydrophobicContact CD1-CB 3.87Å |
| 136 | L | 98.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.2 | 174.3 | -65.9 | 166.7 | 0 | 0 | 0 | 109.2 | Y112 W134 L162 F163 Y318 V335 | Y112-L136 WeakPolarHBondContact OH-CD2 3.18Å; W134-L136 HydrophobicContact CD2-CG 4.45Å; W134-L136 HydrophobicContact CH2-CD1 4.29Å; W134-L136 HydrophobicContact CZ2-CD1 4.12Å; W134-L136 HydrophobicContact CZ2-CD2 3.64Å; W134-L136 HydrophobicContact CZ2-CG 4.19Å; L136-L162 CarbonylContact O-C 3.27Å; L136-L162 VanDerWaalsContact O-CA 3.32Å; L136-L162 WeakPolarHBondContact O-CA 3.13Å; L136-F163 HydrophobicContact CD1-CD1 4.39Å; L136-F163 PolarHBondContact N-O 2.86Å; L136-F163 PolarHBondContact O-N 2.91Å; L136-Y318 HydrophobicContact CB-CD1 4.09Å; L136-Y318 HydrophobicContact CB-CE1 3.88Å; L136-Y318 HydrophobicContact CB-CE2 4.39Å; L136-Y318 HydrophobicContact CB-CG 4.45Å; L136-Y318 HydrophobicContact CD1-CD1 3.98Å; L136-Y318 HydrophobicContact CD1-CE1 4.42Å; L136-V335 HydrophobicContact CD1-CB 3.89Å; L136-V335 HydrophobicContact CD1-CG1 4.38Å; L136-V335 HydrophobicContact CD1-CG2 3.57Å |
| 137 | H | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 165.5 | 176.1 | 66.3 | 92.1 | 0 | 0 | 0 | 113.5 | Y122 A139 F142 L161 L162 Y318 | Y122-H137 WeakPolarHBondContact CB-CE1 3.06Å; Y122-H137 WeakPolarHBondContact CB-NE2 3.38Å; Y122-H137 AromaticContact CD2-CE1 3.69Å; Y122-H137 AromaticContact CD2-ND1 3.81Å; Y122-H137 AromaticContact CG-CE1 3.63Å; Y122-H137 PolarHBondContact N-O 3.2Å; Y122-H137 PolarHBondContact O-N 3.23Å; H137-A139 PolarHBondContact CE1-O 3.38Å; H137-A139 VanDerWaalsContact CE1-O 3.3Å; H137-A139 PolarHBondContact ND1-N 2.91Å; H137-A139 PolarHBondContact ND1-O 2.92Å; H137-F142 AromaticContact CE1-CD1 3.69Å; H137-F142 PolarHBondContact CE1-O 3.02Å; H137-F142 AromaticContact ND1-CD1 3.97Å; H137-F142 AromaticContact NE2-CD1 3.76Å; H137-F142 PolarHBondContact NE2-O 3.03Å; H137-L161 WeakPolarHBondContact CA-O 3.45Å; H137-L162 HydrophobicContact CB-CB 4.18Å; H137-L162 HydrophobicContact CB-CD2 3.87Å; H137-L162 HydrophobicContact CB-CG 3.69Å; H137-Y318 WeakPolarHBondContact CA-OH 3.42Å; H137-Y318 PolarHBondContact O-OH 2.8Å |
| 138 | D | 96.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -105.5 | -10.7 | 177.2 | 47.2 | 15 | 0 | 0 | 0 | 113.7 | N120 D140 Q160 L161 S303 | N120-D138 WeakPolarHBondContact CB-O 3.43Å; N120-D138 WeakPolarHBondContact O-CA 3.36Å; D138-D140 PolarHBondContact O-N 3.31Å; D138-Q160 VanDerWaalsContact C-OE1 3.29Å; D138-Q160 VanDerWaalsContact CG-OE1 3.29Å; D138-Q160 PolarHBondContact O-OE1 2.88Å; D138-Q160 VanDerWaalsContact OD1-CA 3.25Å; D138-Q160 WeakPolarHBondContact OD1-CA 3.49Å; D138-Q160 WeakPolarHBondContact OD1-CB 3.44Å; D138-Q160 PolarHBondContact OD1-OE1 2.96Å; D138-L161 VanDerWaalsContact CG-N 3.33Å; D138-L161 PolarHBondContact OD1-N 3.07Å; D138-L161 PolarHBondContact OD2-N 3.19Å; D138-S303 WeakPolarHBondContact OD2-CA 3.25Å; D138-S303 PolarHBondContact OD2-N 2.89Å | ||
| 139 | A | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -64.7 | 114.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y122 H137 F142 W150 A155 Q160 | Y122-A139 WeakPolarHBondContact CD2-O 3.39Å; Y122-A139 WeakPolarHBondContact CE2-O 3.38Å; H137-A139 PolarHBondContact CE1-O 3.38Å; H137-A139 VanDerWaalsContact CE1-O 3.3Å; H137-A139 PolarHBondContact ND1-N 2.91Å; H137-A139 PolarHBondContact ND1-O 2.92Å; A139-F142 HydrophobicContact CB-CB 4.02Å; A139-F142 PolarHBondContact O-N 2.84Å; A139-W150 HydrophobicContact CB-CH2 3.64Å; A139-W150 HydrophobicContact CB-CZ2 3.93Å; A139-W150 HydrophobicContact CB-CZ3 4.46Å; A139-A155 HydrophobicContact CB-CB 4.08Å; A139-Q160 HydrophobicContact CB-CB 4.4Å; A139-Q160 HydrophobicContact CB-CG 4.22Å | ||
| 140 | D | 93.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 146.4 | 178.5 | -156.1 | 6.7 | 0 | 0 | 0 | 112.3 | K115 Y122 D138 F142 P151 | K115-D140 IonicContact NZ-OD1 3.14Å; K115-D140 PolarHBondContact NZ-OD1 3.36Å; K115-D140 IonicContact NZ-OD2 3.8Å; K115-D140 PolarHBondContact NZ-OD2 3.04Å; Y122-D140 HydrophobicContact CE2-CB 4.47Å; Y122-D140 PolarHBondContact OH-OD1 2.74Å; D138-D140 PolarHBondContact O-N 3.31Å; D140-F142 PolarHBondContact O-N 2.98Å; D140-F142 VanDerWaalsContact O-N 3.1Å; D140-P151 WeakPolarHBondContact O-CB 3.39Å; D140-P151 WeakPolarHBondContact O-CG 3.32Å |
| 141 | A | 94.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 59% | 0.587 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 14.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | P151 | A141-P151 HydrophobicContact CB-CB 4.12Å; A141-P151 HydrophobicContact CB-CG 4.25Å; A141-P151 WeakPolarHBondContact O-CG 3.23Å |
| 142 | F | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 149.1 | 173 | -175.3 | -99.7 | 0 | 0 | 0 | 111.4 | L91 L95 L135 H137 A139 D140 Y148 W150 P151 L162 | L91-F142 HydrophobicContact CD1-CE1 4.02Å; L91-F142 HydrophobicContact CD1-CZ 3.9Å; L91-F142 HydrophobicContact CD2-CE1 3.87Å; L91-F142 HydrophobicContact CD2-CE2 4.04Å; L91-F142 HydrophobicContact CD2-CZ 3.36Å; L91-F142 HydrophobicContact CG-CE1 4.21Å; L91-F142 HydrophobicContact CG-CZ 3.63Å; L95-F142 HydrophobicContact CD1-CE1 4Å; L95-F142 HydrophobicContact CD1-CE2 4.22Å; L95-F142 HydrophobicContact CD1-CZ 3.38Å; L135-F142 HydrophobicContact CD2-CE1 4.21Å; H137-F142 AromaticContact CE1-CD1 3.69Å; H137-F142 PolarHBondContact CE1-O 3.02Å; H137-F142 AromaticContact ND1-CD1 3.97Å; H137-F142 AromaticContact NE2-CD1 3.76Å; H137-F142 PolarHBondContact NE2-O 3.03Å; A139-F142 HydrophobicContact CB-CB 4.02Å; A139-F142 PolarHBondContact O-N 2.84Å; D140-F142 PolarHBondContact O-N 2.98Å; D140-F142 VanDerWaalsContact O-N 3.1Å; F142-Y148 HydrophobicContact CE2-CE2 4.11Å; F142-Y148 HydrophobicContact CZ-CE2 4.3Å; F142-W150 HydrophobicContact CD1-CZ3 4.41Å; F142-W150 AromaticContact CD2-CE3 3.93Å; F142-W150 HydrophobicContact CD2-CE3 3.93Å; F142-W150 AromaticContact CD2-CZ3 3.95Å; F142-W150 HydrophobicContact CD2-CZ3 3.95Å; F142-W150 HydrophobicContact CE2-CE3 4.02Å; F142-W150 HydrophobicContact CE2-CZ3 4.07Å; F142-W150 HydrophobicContact CG-CZ3 4.14Å; F142-W150 HydrophobicContact CZ-CZ3 4.35Å; F142-P151 HydrophobicContact CB-CG 3.81Å; F142-P151 HydrophobicContact CD2-CG 4.44Å; F142-L162 HydrophobicContact CD1-CD2 4.37Å; F142-L162 HydrophobicContact CE1-CD2 4.04Å |
| 143 | P | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -74 | 146.5 | -20.7 | 33 | -34.9 | 0 | 0 | 0 | 111.5 | L95 Y99 M111 V124 | L95-P143 HydrophobicContact CD1-CB 3.95Å; Y99-P143 WeakPolarHBondContact OH-CB 3.29Å; M111-P143 HydrophobicContact CE-CG 3.67Å; M111-P143 HydrophobicContact SD-CG 3.91Å; V124-P143 HydrophobicContact CG2-CG 3.82Å |
| 144 | P | 97.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144 | 172.2 | -20.2 | 31.9 | 0 | 0 | 0 | 111.5 | Y99 R146 A149 | Y99-P144 WeakPolarHBondContact CE1-O 3.45Å; Y99-P144 PolarHBondContact OH-O 3.19Å; P144-R146 VanDerWaalsContact C-N 3.34Å; P144-R146 PolarHBondContact O-N 3.02Å; P144-A149 WeakPolarHBondContact CD-O 3.08Å; P144-A149 HydrophobicContact CG-CB 4.31Å; P144-A149 WeakPolarHBondContact CG-O 3.26Å |
| 145 | K | 95.5 | Very high | 96.6 | Very high | 119 Ų | 119 | 46.5 Ų | 46.5 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -68.3 | -22.7 | -171.4 | -61.1 | -177.6 | 176.8 | -172.5 | 0 | 115.5 | Y98 Y187 L188 | Y98-K145 PolarHBondContact OH-O 2.94Å; K145-Y187 PolarHBondContact NZ-O 2.86Å; K145-L188 HydrophobicContact CB-CD1 4.37Å; K145-L188 HydrophobicContact CD-CD1 4.09Å; K145-L188 HydrophobicContact CG-CD1 3.93Å |
| 146 | R | 94.7 | Very high | 96.5 | Very high | 225 Ų | 225 | 49.8 Ų | 49.8 | 85% | 0.849 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -113.3 | -43.3 | -167.9 | -66.2 | -172.1 | 178.8 | -159.5 | -0.5 | 114.3 | Y99 P144 | Y99-R146 WeakPolarHBondContact CD1-O 3.4Å; P144-R146 VanDerWaalsContact C-N 3.34Å; P144-R146 PolarHBondContact O-N 3.02Å |
| 147 | T | 96.8 | Very high | 96.4 | Very high | 102 Ų | 102 | 52.1 Ų | 52.1 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -139.3 | 139.4 | -175.1 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | Y99 A149 | Y99-T147 VanDerWaalsContact CE1-C 3.43Å; T147-A149 PolarHBondContact O-N 3.03Å |
| 148 | Y | 98.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | trans | -59 | 122.6 | 172.9 | -175.3 | -90.9 | 0 | 0 | 0 | 110.2 | I84 Q89 L91 E92 L95 Y99 F142 | I84-Y148 WeakPolarHBondContact O-CE1 3.44Å; I84-Y148 PolarHBondContact O-OH 3.39Å; Q89-Y148 PolarHBondContact NE2-OH 2.96Å; L91-Y148 HydrophobicContact CG-CE2 4.35Å; E92-Y148 HydrophobicContact CB-CD1 3.98Å; E92-Y148 HydrophobicContact CB-CD2 3.99Å; E92-Y148 HydrophobicContact CB-CE1 3.74Å; E92-Y148 HydrophobicContact CB-CE2 3.75Å; E92-Y148 HydrophobicContact CB-CG 4.11Å; E92-Y148 HydrophobicContact CG-CD1 3.73Å; E92-Y148 HydrophobicContact CG-CD2 3.96Å; E92-Y148 HydrophobicContact CG-CE1 4.03Å; E92-Y148 HydrophobicContact CG-CE2 4.24Å; E92-Y148 HydrophobicContact CG-CG 3.7Å; L95-Y148 HydrophobicContact CD1-CD2 4.32Å; L95-Y148 HydrophobicContact CD1-CE2 4.1Å; Y99-Y148 HydrophobicContact CD2-CD2 4.48Å; Y99-Y148 AromaticContact CE2-CD2 3.82Å; Y99-Y148 HydrophobicContact CE2-CD2 3.82Å; Y99-Y148 HydrophobicContact CE2-CG 4.31Å; F142-Y148 HydrophobicContact CE2-CE2 4.11Å; F142-Y148 HydrophobicContact CZ-CE2 4.3Å | ||
| 149 | A | 98 | Very high | 96.4 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -156.4 | 150.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | P144 T147 | P144-A149 WeakPolarHBondContact CD-O 3.08Å; P144-A149 HydrophobicContact CG-CB 4.31Å; P144-A149 WeakPolarHBondContact CG-O 3.26Å; T147-A149 PolarHBondContact O-N 3.03Å | ||
| 150 | W | 98.2 | Very high | 96.5 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | trans | -83.7 | 128.4 | 168.1 | -167.2 | -102.8 | 0 | 0 | 0 | 109.7 | K45 H63 I84 D85 L91 A139 F142 A155 Q160 L162 | K45-W150 HydrophobicContact CB-CZ2 4.44Å; K45-W150 HydrophobicContact CD-CZ2 3.9Å; K45-W150 HydrophobicContact CG-CZ2 3.87Å; H63-W150 AromaticContact ND1-CD1 3.88Å; I84-W150 HydrophobicContact CB-CD2 4.49Å; I84-W150 HydrophobicContact CB-CE3 4.44Å; I84-W150 HydrophobicContact CD1-CD2 4.28Å; I84-W150 HydrophobicContact CD1-CE3 3.77Å; I84-W150 HydrophobicContact CD1-CH2 3.64Å; I84-W150 HydrophobicContact CD1-CZ2 4.14Å; I84-W150 HydrophobicContact CD1-CZ3 3.43Å; I84-W150 VanDerWaalsContact CD1-CZ3 3.43Å; I84-W150 HydrophobicContact CG1-CD2 4.28Å; I84-W150 HydrophobicContact CG1-CE3 3.76Å; I84-W150 HydrophobicContact CG1-CZ3 3.92Å; I84-W150 HydrophobicContact CG2-CB 4.12Å; I84-W150 HydrophobicContact CG2-CD2 3.49Å; I84-W150 VanDerWaalsContact CG2-CD2 3.49Å; I84-W150 HydrophobicContact CG2-CE3 3.89Å; I84-W150 HydrophobicContact CG2-CG 3.59Å; D85-W150 HydrophobicContact CB-CB 3.8Å; L91-W150 HydrophobicContact CD2-CE3 4.31Å; L91-W150 HydrophobicContact CD2-CZ3 3.78Å; A139-W150 HydrophobicContact CB-CH2 3.64Å; A139-W150 HydrophobicContact CB-CZ2 3.93Å; A139-W150 HydrophobicContact CB-CZ3 4.46Å; F142-W150 HydrophobicContact CD1-CZ3 4.41Å; F142-W150 AromaticContact CD2-CE3 3.93Å; F142-W150 HydrophobicContact CD2-CE3 3.93Å; F142-W150 AromaticContact CD2-CZ3 3.95Å; F142-W150 HydrophobicContact CD2-CZ3 3.95Å; F142-W150 HydrophobicContact CE2-CE3 4.02Å; F142-W150 HydrophobicContact CE2-CZ3 4.07Å; F142-W150 HydrophobicContact CG-CZ3 4.14Å; F142-W150 HydrophobicContact CZ-CZ3 4.35Å; W150-A155 HydrophobicContact CZ2-CB 4.33Å; W150-A155 WeakPolarHBondContact CZ2-O 3.35Å; W150-A155 PolarHBondContact NE1-O 2.69Å; W150-Q160 HydrophobicContact CZ2-CB 4.43Å; W150-Q160 HydrophobicContact CZ2-CG 4.24Å; W150-L162 HydrophobicContact CH2-CD1 4.06Å; W150-L162 HydrophobicContact CH2-CD2 4.22Å; W150-L162 HydrophobicContact CZ3-CD2 4.18Å | ||
| 151 | P | 97.2 | Very high | 96.7 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | trans | -66.1 | 153.6 | -178.3 | -21.1 | 34 | 0 | 0 | 0 | 112.8 | D140 A141 F142 A155 R156 | D140-P151 WeakPolarHBondContact O-CB 3.39Å; D140-P151 WeakPolarHBondContact O-CG 3.32Å; A141-P151 HydrophobicContact CB-CB 4.12Å; A141-P151 HydrophobicContact CB-CG 4.25Å; A141-P151 WeakPolarHBondContact O-CG 3.23Å; F142-P151 HydrophobicContact CB-CG 3.81Å; F142-P151 HydrophobicContact CD2-CG 4.44Å; P151-A155 HydrophobicContact CB-CB 4.11Å; P151-A155 HydrophobicContact CG-CB 4.45Å; P151-R156 WeakPolarHBondContact O-CB 3.23Å | ||
| 152 | N | 95.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 48.5 Ų | 48.5 | 64% | 0.642 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -79 | -179.1 | 168.6 | -70.4 | -53.5 | 0 | 0 | 0 | 111.3 | R156 | N152-R156 PolarHBondContact OD1-NH1 3.2Å; N152-R156 VanDerWaalsContact OD1-NH1 3.15Å |
| 153 | G | 95 | Very high | 97 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -143.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A155 R156 D157 | G153-A155 VanDerWaalsContact C-N 3.28Å; G153-A155 PolarHBondContact O-N 3.46Å; G153-R156 CarbonylContact O-C 3.57Å; G153-R156 WeakPolarHBondContact O-CA 3.15Å; G153-R156 WeakPolarHBondContact O-CB 3.25Å; G153-R156 PolarHBondContact O-N 2.8Å; G153-D157 PolarHBondContact O-N 3.2Å |
| 154 | E | 94.7 | Very high | 97 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.2 | -38.8 | -172.8 | -64.6 | -69.7 | -168.4 | 0 | 0 | 113.6 | R156 D157 K158 Q160 | E154-R156 PolarHBondContact O-N 2.92Å; E154-D157 PolarHBondContact O-N 3.14Å; E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 PolarHBondContact O-N 2.9Å; E154-K158 IonicContact OE1-NZ 3.85Å; E154-K158 PolarHBondContact OE1-NZ 2.87Å; E154-K158 WeakPolarHBondContact OE2-CD 3.43Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 VanDerWaalsContact OE2-CG 3.23Å; E154-K158 WeakPolarHBondContact OE2-CG 3.32Å; E154-K158 IonicContact OE2-NZ 2.69Å; E154-K158 PolarHBondContact OE2-NZ 2.84Å; E154-Q160 PolarHBondContact O-NE2 2.95Å |
| 155 | A | 96.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K45 A139 W150 P151 G153 | K45-A155 WeakPolarHBondContact CD-O 3.35Å; K45-A155 WeakPolarHBondContact CE-O 3.44Å; K45-A155 PolarHBondContact NZ-O 2.91Å; A139-A155 HydrophobicContact CB-CB 4.08Å; W150-A155 HydrophobicContact CZ2-CB 4.33Å; W150-A155 WeakPolarHBondContact CZ2-O 3.35Å; W150-A155 PolarHBondContact NE1-O 2.69Å; P151-A155 HydrophobicContact CB-CB 4.11Å; P151-A155 HydrophobicContact CG-CB 4.45Å; G153-A155 VanDerWaalsContact C-N 3.28Å; G153-A155 PolarHBondContact O-N 3.46Å |
| 156 | R | 96.9 | Very high | 97.2 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -89.8 | -33.9 | 176.9 | -170.6 | -168.9 | 68.3 | -173.8 | -0.4 | 112.9 | K45 G62 P151 N152 G153 E154 | K45-R156 PolarHBondContact NZ-O 3.04Å; G62-R156 WeakPolarHBondContact CA-O 3.23Å; P151-R156 WeakPolarHBondContact O-CB 3.23Å; N152-R156 PolarHBondContact OD1-NH1 3.2Å; N152-R156 VanDerWaalsContact OD1-NH1 3.15Å; G153-R156 CarbonylContact O-C 3.57Å; G153-R156 WeakPolarHBondContact O-CA 3.15Å; G153-R156 WeakPolarHBondContact O-CB 3.25Å; G153-R156 PolarHBondContact O-N 2.8Å; E154-R156 PolarHBondContact O-N 2.92Å |
| 157 | D | 96.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -90.5 | -29.6 | -170 | -60.2 | -24.4 | 0 | 0 | 0 | 111.9 | A47 K48 G153 E154 | A47-D157 WeakPolarHBondContact CA-O 3.48Å; K48-D157 PolarHBondContact N-O 3.41Å; G153-D157 PolarHBondContact O-N 3.2Å; E154-D157 PolarHBondContact O-N 3.14Å |
| 158 | K | 96.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 28 Ų | 28 | 20% | 0.204 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -104.7 | 161.4 | 176.5 | -71.6 | -174.8 | -179.3 | 136.7 | 0 | 113.7 | K45 E154 T300 D302 | K45-K158 PolarHBondContact NZ-O 3.04Å; E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 PolarHBondContact O-N 2.9Å; E154-K158 IonicContact OE1-NZ 3.85Å; E154-K158 PolarHBondContact OE1-NZ 2.87Å; E154-K158 WeakPolarHBondContact OE2-CD 3.43Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 VanDerWaalsContact OE2-CG 3.23Å; E154-K158 WeakPolarHBondContact OE2-CG 3.32Å; E154-K158 IonicContact OE2-NZ 2.69Å; E154-K158 PolarHBondContact OE2-NZ 2.84Å; K158-T300 CarbonylContact C-O 3.54Å; K158-T300 VanDerWaalsContact CA-O 3.27Å; K158-T300 WeakPolarHBondContact CA-O 3.45Å; K158-T300 VanDerWaalsContact CB-O 3.31Å; K158-T300 WeakPolarHBondContact CB-O 3.2Å; K158-D302 VanDerWaalsContact CD-OD2 3.26Å; K158-D302 WeakPolarHBondContact CD-OD2 3.47Å |
| 159 | A | 97.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 142.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y44 K45 A47 T300 D301 D302 | Y44-A159 HydrophobicContact CE1-CB 4.05Å; K45-A159 CarbonylContact O-C 3.55Å; K45-A159 WeakPolarHBondContact O-CA 3.45Å; K45-A159 VanDerWaalsContact O-CB 3.32Å; K45-A159 WeakPolarHBondContact O-CB 3.25Å; A47-A159 HydrophobicContact CB-CB 4.35Å; A159-T300 PolarHBondContact N-O 3.38Å; A159-D301 HydrophobicContact CB-CB 3.95Å; A159-D302 PolarHBondContact O-N 3.49Å |
| 160 | Q | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.6 | -173.4 | -54.8 | -60.9 | -41.8 | 0 | 0 | 108.3 | K45 D138 A139 W150 E154 D302 | K45-Q160 HydrophobicContact CB-CB 4.21Å; K45-Q160 HydrophobicContact CD-CB 4.15Å; K45-Q160 HydrophobicContact CD-CG 3.99Å; K45-Q160 PolarHBondContact N-O 3.2Å; K45-Q160 PolarHBondContact O-N 3.19Å; D138-Q160 VanDerWaalsContact C-OE1 3.29Å; D138-Q160 VanDerWaalsContact CG-OE1 3.29Å; D138-Q160 PolarHBondContact O-OE1 2.88Å; D138-Q160 VanDerWaalsContact OD1-CA 3.25Å; D138-Q160 WeakPolarHBondContact OD1-CA 3.49Å; D138-Q160 WeakPolarHBondContact OD1-CB 3.44Å; D138-Q160 PolarHBondContact OD1-OE1 2.96Å; A139-Q160 HydrophobicContact CB-CB 4.4Å; A139-Q160 HydrophobicContact CB-CG 4.22Å; W150-Q160 HydrophobicContact CZ2-CB 4.43Å; W150-Q160 HydrophobicContact CZ2-CG 4.24Å; E154-Q160 PolarHBondContact O-NE2 2.95Å; Q160-D302 PolarHBondContact NE2-OD2 3.39Å |
| 161 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.9 | 177.6 | 179 | 70.7 | 0 | 0 | 0 | 110.1 | L42 Y44 H137 D138 S303 W305 W316 Y318 | L42-L161 HydrophobicContact CD1-CD1 4.09Å; L42-L161 HydrophobicContact CD2-CD1 3.33Å; L42-L161 HydrophobicContact CG-CD1 3.73Å; Y44-L161 HydrophobicContact CD2-CD1 4.09Å; H137-L161 WeakPolarHBondContact CA-O 3.45Å; D138-L161 VanDerWaalsContact CG-N 3.33Å; D138-L161 PolarHBondContact OD1-N 3.07Å; D138-L161 PolarHBondContact OD2-N 3.19Å; L161-S303 VanDerWaalsContact CB-CB 3.41Å; L161-W305 HydrophobicContact CD2-CB 4.19Å; L161-W305 HydrophobicContact CD2-CG 4.42Å; L161-W316 HydrophobicContact CD1-CZ2 4.48Å; L161-W316 HydrophobicContact CD2-CH2 4.14Å; L161-W316 HydrophobicContact CD2-CZ2 3.85Å; L161-Y318 HydrophobicContact CD2-CD2 3.66Å; L161-Y318 HydrophobicContact CD2-CE2 4.13Å; L161-Y318 HydrophobicContact CG-CD2 4.09Å; L161-Y318 HydrophobicContact CG-CE2 4.29Å |
| 162 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.8 | 175 | -51.9 | 91.2 | 0 | 0 | 0 | 109.6 | L42 I43 K45 I84 L91 L135 L136 H137 F142 W150 | L42-L162 CarbonylContact C-O 3.32Å; L42-L162 VanDerWaalsContact CA-O 3.29Å; L42-L162 WeakPolarHBondContact CA-O 3.19Å; I43-L162 HydrophobicContact CB-CB 4.24Å; I43-L162 HydrophobicContact CB-CD1 4.06Å; I43-L162 HydrophobicContact CG2-CD1 3.83Å; I43-L162 PolarHBondContact N-O 2.94Å; I43-L162 PolarHBondContact O-N 3.15Å; K45-L162 HydrophobicContact CB-CD1 4.39Å; I84-L162 HydrophobicContact CD1-CD1 4.24Å; L91-L162 HydrophobicContact CD1-CD2 3.99Å; L91-L162 HydrophobicContact CD2-CD2 3.64Å; L91-L162 HydrophobicContact CG-CD2 4.48Å; L135-L162 HydrophobicContact CD1-CB 4.21Å; L136-L162 CarbonylContact O-C 3.27Å; L136-L162 VanDerWaalsContact O-CA 3.32Å; L136-L162 WeakPolarHBondContact O-CA 3.13Å; H137-L162 HydrophobicContact CB-CB 4.18Å; H137-L162 HydrophobicContact CB-CD2 3.87Å; H137-L162 HydrophobicContact CB-CG 3.69Å; F142-L162 HydrophobicContact CD1-CD2 4.37Å; F142-L162 HydrophobicContact CE1-CD2 4.04Å; W150-L162 HydrophobicContact CH2-CD1 4.06Å; W150-L162 HydrophobicContact CH2-CD2 4.22Å; W150-L162 HydrophobicContact CZ3-CD2 4.18Å |
| 163 | F | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.2 | 178.9 | 180 | -135.5 | 0 | 0 | 0 | 110 | W40 F41 L42 L135 L136 V165 W316 Y318 V335 I337 | W40-F163 HydrophobicContact CB-CE2 4.09Å; F41-F163 WeakPolarHBondContact O-CD2 3.31Å; L42-F163 HydrophobicContact CB-CD2 4.42Å; L135-F163 CarbonylContact C-O 3.6Å; L135-F163 WeakPolarHBondContact CA-O 3.36Å; L136-F163 HydrophobicContact CD1-CD1 4.39Å; L136-F163 PolarHBondContact N-O 2.86Å; L136-F163 PolarHBondContact O-N 2.91Å; F163-V165 HydrophobicContact CD1-CG2 4.18Å; F163-V165 HydrophobicContact CD2-CG2 4.43Å; F163-V165 HydrophobicContact CE1-CG2 3.52Å; F163-V165 HydrophobicContact CE2-CG2 3.81Å; F163-V165 HydrophobicContact CZ-CG2 3.31Å; F163-W316 HydrophobicContact CB-CH2 4.4Å; F163-W316 HydrophobicContact CD1-CZ3 4.01Å; F163-W316 HydrophobicContact CD2-CZ3 4.1Å; F163-W316 HydrophobicContact CE1-CZ3 4.16Å; F163-W316 HydrophobicContact CE2-CZ3 4.25Å; F163-W316 HydrophobicContact CG-CH2 4.28Å; F163-W316 AromaticContact CG-CZ3 3.99Å; F163-W316 HydrophobicContact CG-CZ3 3.99Å; F163-W316 HydrophobicContact CZ-CZ3 4.28Å; F163-Y318 HydrophobicContact CB-CD2 4.26Å; F163-V335 HydrophobicContact CE1-CG1 3.99Å; F163-I337 HydrophobicContact CZ-CB 4.46Å; F163-I337 HydrophobicContact CZ-CD1 4.39Å; F163-I337 HydrophobicContact CZ-CG2 4.38Å |
| 164 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.6 | 178.7 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | C29 W40 F41 W134 L135 | C29-C164 HydrophobicContact CB-CB 3.93Å; C29-C164 WeakPolarHBondContact CB-SG 3.4Å; C29-C164 WeakPolarHBondContact SG-CB 3.16Å; C29-C164 CovalentContact SG-SG 2.04Å; C29-C164 PolarHBondContact SG-SG 2.82Å; W40-C164 CarbonylContact C-O 3.54Å; W40-C164 WeakPolarHBondContact CA-O 3.16Å; W40-C164 VanDerWaalsContact CB-O 3.26Å; W40-C164 WeakPolarHBondContact CB-O 3.42Å; F41-C164 HydrophobicContact CD1-CB 3.74Å; F41-C164 HydrophobicContact CD2-CB 3.99Å; F41-C164 HydrophobicContact CE1-CB 3.31Å; F41-C164 VanDerWaalsContact CE1-SG 3.57Å; F41-C164 HydrophobicContact CE2-CB 3.62Å; F41-C164 HydrophobicContact CG-CB 4.03Å; F41-C164 HydrophobicContact CZ-CB 3.25Å; F41-C164 PolarHBondContact N-O 3.26Å; F41-C164 PolarHBondContact O-N 2.83Å; W134-C164 CarbonylContact O-C 3.49Å; W134-C164 WeakPolarHBondContact O-CA 3.5Å; L135-C164 HydrophobicContact CD1-CB 3.87Å |
| 165 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.8 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | C29 W40 F133 W134 F163 F167 T222 V233 | C29-V165 VanDerWaalsContact SG-CA 3.57Å; C29-V165 PolarHBondContact SG-N 2.86Å; W40-V165 HydrophobicContact CB-CG2 4.31Å; F133-V165 CarbonylContact C-O 3.08Å; F133-V165 WeakPolarHBondContact CA-O 3.29Å; W134-V165 PolarHBondContact N-O 3.12Å; W134-V165 PolarHBondContact O-N 2.85Å; F163-V165 HydrophobicContact CD1-CG2 4.18Å; F163-V165 HydrophobicContact CD2-CG2 4.43Å; F163-V165 HydrophobicContact CE1-CG2 3.52Å; F163-V165 HydrophobicContact CE2-CG2 3.81Å; F163-V165 HydrophobicContact CZ-CG2 3.31Å; V165-F167 HydrophobicContact CB-CD2 4.27Å; V165-F167 HydrophobicContact CB-CE2 3.55Å; V165-F167 HydrophobicContact CB-CZ 3.87Å; V165-F167 HydrophobicContact CG1-CD1 4.5Å; V165-F167 HydrophobicContact CG1-CD2 4.09Å; V165-F167 HydrophobicContact CG1-CE1 3.9Å; V165-F167 HydrophobicContact CG1-CE2 3.45Å; V165-F167 VanDerWaalsContact CG1-CE2 3.45Å; V165-F167 HydrophobicContact CG1-CZ 3.33Å; V165-T222 HydrophobicContact CG1-CG2 3.67Å; V165-V233 HydrophobicContact CG1-CG2 4.25Å |
| 166 | S | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.6 | 173.2 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | C29 V38 Q39 A132 T222 K223 | C29-S166 WeakPolarHBondContact CB-OG 3.41Å; C29-S166 PolarHBondContact N-OG 2.83Å; C29-S166 PolarHBondContact SG-N 2.86Å; C29-S166 VanDerWaalsContact SG-N 3.39Å; V38-S166 WeakPolarHBondContact O-CB 3.18Å; V38-S166 PolarHBondContact O-OG 3.21Å; Q39-S166 PolarHBondContact O-N 2.82Å; A132-S166 CarbonylContact O-C 3.6Å; A132-S166 WeakPolarHBondContact O-CA 3.33Å; S166-T222 CarbonylContact O-C 3.59Å; S166-T222 WeakPolarHBondContact O-CA 3.25Å; S166-K223 PolarHBondContact O-N 3.17Å |
| 167 | F | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159 | -179.3 | -70.9 | -72.5 | 0 | 0 | 0 | 111.6 | A132 W134 V165 I175 L220 T221 V233 | A132-F167 HydrophobicContact CB-CB 4.41Å; A132-F167 PolarHBondContact N-O 3.12Å; A132-F167 PolarHBondContact O-N 3.12Å; W134-F167 HydrophobicContact CB-CD2 4.25Å; W134-F167 HydrophobicContact CB-CE2 4.1Å; W134-F167 HydrophobicContact CE3-CE2 4.11Å; V165-F167 HydrophobicContact CB-CD2 4.27Å; V165-F167 HydrophobicContact CB-CE2 3.55Å; V165-F167 HydrophobicContact CB-CZ 3.87Å; V165-F167 HydrophobicContact CG1-CD1 4.5Å; V165-F167 HydrophobicContact CG1-CD2 4.09Å; V165-F167 HydrophobicContact CG1-CE1 3.9Å; V165-F167 HydrophobicContact CG1-CE2 3.45Å; V165-F167 VanDerWaalsContact CG1-CE2 3.45Å; V165-F167 HydrophobicContact CG1-CZ 3.33Å; F167-I175 HydrophobicContact CD2-CD1 3.81Å; F167-I175 HydrophobicContact CE2-CD1 3.9Å; F167-I175 HydrophobicContact CG-CD1 4.25Å; F167-I175 HydrophobicContact CZ-CD1 4.44Å; F167-L220 HydrophobicContact CE1-CB 3.84Å; F167-L220 HydrophobicContact CE1-CD1 4.4Å; F167-L220 HydrophobicContact CZ-CB 4.31Å; F167-L220 HydrophobicContact CZ-CD1 4.14Å; F167-T221 VanDerWaalsContact CD1-O 3.24Å; F167-T221 WeakPolarHBondContact CD1-O 3.24Å; F167-V233 HydrophobicContact CZ-CB 4.49Å; F167-V233 HydrophobicContact CZ-CG1 4.44Å |
| 168 | D | 97.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 23.6 Ų | 23.6 | 32% | 0.316 | 12% | 0.122 | S | C | . | . | trans | -73.3 | 141.9 | 157.8 | -68.8 | -59.8 | 0 | 0 | 0 | 109.1 | S170 S171 K223 | D168-S170 PolarHBondContact O-N 3.33Å; D168-S171 WeakPolarHBondContact O-CB 3.15Å; D168-S171 PolarHBondContact O-N 3.23Å; D168-S171 PolarHBondContact O-OG 3.25Å; D168-K223 IonicContact OD1-NZ 2.74Å; D168-K223 PolarHBondContact OD1-NZ 3.15Å | ||
| 169 | P | 96.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 21.3 Ų | 21.3 | 18% | 0.175 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -54.8 | -24.2 | -179 | -30.2 | 37.7 | 0 | 0 | 0 | 114.6 | N128 S171 L172 | N128-P169 WeakPolarHBondContact O-CG 3.28Å; P169-S171 PolarHBondContact O-N 2.86Å; P169-S171 VanDerWaalsContact O-N 3.15Å; P169-L172 HydrophobicContact CB-CD1 4.01Å; P169-L172 VanDerWaalsContact O-CB 3.23Å; P169-L172 WeakPolarHBondContact O-CB 3.47Å; P169-L172 WeakPolarHBondContact O-CD1 3.35Å; P169-L172 VanDerWaalsContact O-CG 3.25Å; P169-L172 WeakPolarHBondContact O-CG 3.49Å; P169-L172 PolarHBondContact O-N 3.2Å |
| 170 | S | 96.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 22.7 Ų | 22.7 | 66% | 0.657 | 12% | 0.117 | S | C | * | . | G | 310 helix | trans | -59.3 | -22.3 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | D168 L172 | D168-S170 PolarHBondContact O-N 3.33Å; S170-L172 VanDerWaalsContact C-N 3.34Å |
| 171 | S | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -77 | -20.5 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | D168 P169 Q173 Q174 I175 | D168-S171 WeakPolarHBondContact O-CB 3.15Å; D168-S171 PolarHBondContact O-N 3.23Å; D168-S171 PolarHBondContact O-OG 3.25Å; P169-S171 PolarHBondContact O-N 2.86Å; P169-S171 VanDerWaalsContact O-N 3.15Å; S171-Q173 VanDerWaalsContact C-N 3.28Å; S171-Q173 PolarHBondContact O-N 2.88Å; S171-Q174 PolarHBondContact O-N 2.57Å; S171-Q174 VanDerWaalsContact O-N 3.11Å; S171-I175 WeakPolarHBondContact O-CG1 3.18Å; S171-I175 PolarHBondContact O-N 2.88Å |
| 172 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -35.5 | -173.1 | -66.7 | 170 | 0 | 0 | 0 | 112.9 | L108 L125 S127 A132 P169 S170 Q174 I175 A176 F195 Y200 | L108-L172 HydrophobicContact CD2-CD1 3.95Å; L108-L172 HydrophobicContact CD2-CD2 4.32Å; L125-L172 HydrophobicContact CD1-CD2 3.56Å; L125-L172 HydrophobicContact CD2-CD2 3.8Å; L125-L172 HydrophobicContact CG-CD2 3.71Å; S127-L172 VanDerWaalsContact CB-CD1 3.49Å; S127-L172 WeakPolarHBondContact OG-CD1 3.46Å; A132-L172 HydrophobicContact CB-CD1 4.11Å; A132-L172 HydrophobicContact CB-CD2 3.88Å; A132-L172 HydrophobicContact CB-CG 4.13Å; P169-L172 HydrophobicContact CB-CD1 4.01Å; P169-L172 VanDerWaalsContact O-CB 3.23Å; P169-L172 WeakPolarHBondContact O-CB 3.47Å; P169-L172 WeakPolarHBondContact O-CD1 3.35Å; P169-L172 VanDerWaalsContact O-CG 3.25Å; P169-L172 WeakPolarHBondContact O-CG 3.49Å; P169-L172 PolarHBondContact O-N 3.2Å; S170-L172 VanDerWaalsContact C-N 3.34Å; L172-Q174 VanDerWaalsContact C-N 3.28Å; L172-Q174 PolarHBondContact O-N 2.99Å; L172-I175 PolarHBondContact O-N 2.87Å; L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 2.56Å; L172-F195 HydrophobicContact CB-CE1 4.44Å; L172-F195 HydrophobicContact CD1-CE1 3.72Å; L172-F195 HydrophobicContact CD1-CZ 3.83Å; L172-Y200 HydrophobicContact CB-CE1 4.21Å; L172-Y200 VanDerWaalsContact CB-OH 3.25Å; L172-Y200 WeakPolarHBondContact CB-OH 3.18Å |
| 173 | Q | 97.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 28.8 Ų | 28.8 | 39% | 0.393 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64 | -39.6 | -179.9 | -166.7 | -172.3 | 48.7 | 0 | 0 | 110.7 | S171 R177 P199 Y200 | S171-Q173 VanDerWaalsContact C-N 3.28Å; S171-Q173 PolarHBondContact O-N 2.88Å; Q173-R177 VanDerWaalsContact O-CB 3.28Å; Q173-R177 WeakPolarHBondContact O-CB 3.27Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-P199 HydrophobicContact CG-CG 4.29Å; Q173-Y200 VanDerWaalsContact CA-OH 3.28Å; Q173-Y200 WeakPolarHBondContact CA-OH 3.24Å; Q173-Y200 PolarHBondContact N-OH 3.41Å |
| 174 | Q | 98.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 29 Ų | 29 | 34% | 0.336 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -72.3 | -38.6 | 178.4 | -67.4 | -178.1 | 98.4 | 0 | 0 | 111.5 | S171 L172 T178 Q218 L220 | S171-Q174 PolarHBondContact O-N 2.57Å; S171-Q174 VanDerWaalsContact O-N 3.11Å; L172-Q174 VanDerWaalsContact C-N 3.28Å; L172-Q174 PolarHBondContact O-N 2.99Å; Q174-T178 WeakPolarHBondContact O-CB 3.49Å; Q174-T178 PolarHBondContact O-N 2.98Å; Q174-T178 PolarHBondContact O-OG1 2.89Å; Q174-Q218 HydrophobicContact CB-CG 4.01Å; Q174-L220 HydrophobicContact CB-CD2 3.94Å |
| 175 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -54.1 | 173.2 | -67 | 167.6 | 0 | 0 | 0 | 109.8 | L125 W134 F167 S171 L172 R177 T178 L179 L220 | L125-I175 HydrophobicContact CD1-CG2 4.29Å; L125-I175 HydrophobicContact CD2-CG2 4.3Å; W134-I175 HydrophobicContact CD2-CG2 4.14Å; W134-I175 HydrophobicContact CE3-CD1 4.2Å; W134-I175 HydrophobicContact CE3-CG1 4.37Å; W134-I175 HydrophobicContact CE3-CG2 4.2Å; W134-I175 HydrophobicContact CH2-CG2 4.49Å; W134-I175 HydrophobicContact CZ2-CG2 4.41Å; W134-I175 HydrophobicContact CZ3-CG2 4.38Å; F167-I175 HydrophobicContact CD2-CD1 3.81Å; F167-I175 HydrophobicContact CE2-CD1 3.9Å; F167-I175 HydrophobicContact CG-CD1 4.25Å; F167-I175 HydrophobicContact CZ-CD1 4.44Å; S171-I175 WeakPolarHBondContact O-CG1 3.18Å; S171-I175 PolarHBondContact O-N 2.88Å; L172-I175 PolarHBondContact O-N 2.87Å; I175-R177 PolarHBondContact O-N 3.05Å; I175-T178 PolarHBondContact O-N 2.82Å; I175-T178 VanDerWaalsContact O-N 3.13Å; I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.21Å; I175-L179 PolarHBondContact O-N 2.82Å; I175-L220 HydrophobicContact CD1-CD1 4.33Å; I175-L220 HydrophobicContact CG1-CD1 3.71Å; I175-L220 HydrophobicContact CG1-CD2 4.13Å |
| 176 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L172 T178 L179 R180 P199 Y200 L203 | L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 2.56Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 2.98Å; A176-L179 PolarHBondContact O-N 3.15Å; A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.34Å; A176-R180 VanDerWaalsContact O-N 3.15Å; A176-P199 HydrophobicContact CB-CG 3.78Å; A176-Y200 HydrophobicContact CB-CD1 3.5Å; A176-Y200 HydrophobicContact CB-CE1 3.47Å; A176-Y200 VanDerWaalsContact CB-CE1 3.47Å; A176-Y200 HydrophobicContact CB-CG 4.48Å; A176-L203 HydrophobicContact CB-CD2 3.99Å |
| 177 | R | 96 | Very high | 96.1 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.2 | -174.1 | 175.6 | -70.4 | 148.7 | 0.1 | 112 | Q173 I175 P199 | Q173-R177 VanDerWaalsContact O-CB 3.28Å; Q173-R177 WeakPolarHBondContact O-CB 3.27Å; Q173-R177 PolarHBondContact O-N 2.95Å; I175-R177 PolarHBondContact O-N 3.05Å; R177-P199 HydrophobicContact CB-CB 4.26Å; R177-P199 HydrophobicContact CB-CG 3.98Å |
| 178 | T | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74 | -40.3 | -179.2 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | Q174 I175 A176 R180 Y181 R216 Q218 Y235 T237 | Q174-T178 WeakPolarHBondContact O-CB 3.49Å; Q174-T178 PolarHBondContact O-N 2.98Å; Q174-T178 PolarHBondContact O-OG1 2.89Å; I175-T178 PolarHBondContact O-N 2.82Å; I175-T178 VanDerWaalsContact O-N 3.13Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 2.98Å; T178-R180 PolarHBondContact O-N 2.96Å; T178-Y181 VanDerWaalsContact O-CB 3.27Å; T178-Y181 WeakPolarHBondContact O-CB 3.05Å; T178-Y181 PolarHBondContact O-N 3.24Å; T178-R216 HydrophobicContact CG2-CG 4.09Å; T178-R216 PolarHBondContact OG1-NE 3.21Å; T178-Q218 HydrophobicContact CG2-CB 4.1Å; T178-Q218 WeakPolarHBondContact OG1-CB 3.28Å; T178-Q218 WeakPolarHBondContact OG1-CG 3.32Å; T178-Y235 VanDerWaalsContact CB-CE1 3.48Å; T178-Y235 HydrophobicContact CG2-CD1 3.31Å; T178-Y235 HydrophobicContact CG2-CD2 4.11Å; T178-Y235 HydrophobicContact CG2-CE1 3.43Å; T178-Y235 VanDerWaalsContact CG2-CE1 3.43Å; T178-Y235 HydrophobicContact CG2-CE2 4.21Å; T178-Y235 HydrophobicContact CG2-CG 3.67Å; T178-T237 HydrophobicContact CG2-CG2 3.61Å |
| 179 | L | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -32.6 | 177 | 177.1 | 58.2 | 0 | 0 | 0 | 113.1 | Y112 I175 A176 Y181 E182 P184 L203 Y235 | Y112-L179 HydrophobicContact CD1-CD2 3.87Å; Y112-L179 HydrophobicContact CD2-CD1 3.95Å; Y112-L179 HydrophobicContact CD2-CD2 4.29Å; Y112-L179 HydrophobicContact CE1-CD1 4.37Å; Y112-L179 HydrophobicContact CE1-CD2 3.57Å; Y112-L179 HydrophobicContact CE2-CD1 3.38Å; Y112-L179 HydrophobicContact CE2-CD2 4.06Å; Y112-L179 HydrophobicContact CE2-CG 4.37Å; Y112-L179 HydrophobicContact CG-CD2 4.19Å; I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.21Å; I175-L179 PolarHBondContact O-N 2.82Å; A176-L179 PolarHBondContact O-N 3.15Å; L179-Y181 PolarHBondContact O-N 3.24Å; L179-Y181 VanDerWaalsContact O-N 3.11Å; L179-E182 HydrophobicContact CD1-CB 4.38Å; L179-E182 HydrophobicContact CD1-CG 4.47Å; L179-E182 WeakPolarHBondContact O-CB 3.49Å; L179-E182 PolarHBondContact O-N 2.82Å; L179-P184 HydrophobicContact CD1-CB 4.26Å; L179-P184 HydrophobicContact CD1-CG 3.91Å; L179-P184 HydrophobicContact CD2-CG 4.45Å; L179-P184 HydrophobicContact CG-CG 3.89Å; L179-P184 VanDerWaalsContact O-CD 3.3Å; L179-P184 WeakPolarHBondContact O-CD 3.43Å; L179-L203 HydrophobicContact CB-CD1 4.49Å; L179-L203 HydrophobicContact CD2-CD1 4.1Å; L179-L203 HydrophobicContact CD2-CD2 3.94Å; L179-L203 HydrophobicContact CG-CD1 3.94Å; L179-Y235 VanDerWaalsContact CA-OH 3.27Å; L179-Y235 WeakPolarHBondContact CA-OH 3.36Å; L179-Y235 HydrophobicContact CB-CE1 4.43Å |
| 180 | R | 94.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.5 | -26.4 | 173.1 | -71.2 | -177.6 | 65.7 | -168.8 | 1 | 113.5 | A176 T178 E182 R183 L203 E207 L209 | A176-R180 WeakPolarHBondContact O-CG 3.49Å; A176-R180 PolarHBondContact O-N 3.34Å; A176-R180 VanDerWaalsContact O-N 3.15Å; T178-R180 PolarHBondContact O-N 2.96Å; R180-E182 PolarHBondContact O-N 2.71Å; R180-R183 PolarHBondContact O-N 2.8Å; R180-R183 VanDerWaalsContact O-N 3.15Å; R180-L203 HydrophobicContact CG-CB 3.88Å; R180-L203 HydrophobicContact CG-CD1 3.88Å; R180-L203 HydrophobicContact CG-CG 4.46Å; R180-E207 PolarHBondContact NH2-O 2.94Å; R180-L209 HydrophobicContact CB-CD1 3.57Å; R180-L209 HydrophobicContact CB-CG 4.46Å; R180-L209 VanDerWaalsContact CZ-CD2 3.47Å |
| 181 | Y | 93.1 | Very high | 96 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -67.3 | -24.1 | 176.2 | -76.4 | -116.1 | 0 | 0 | 0 | 112.6 | T178 L179 R183 L209 Q212 M213 R216 T237 R239 | T178-Y181 VanDerWaalsContact O-CB 3.27Å; T178-Y181 WeakPolarHBondContact O-CB 3.05Å; T178-Y181 PolarHBondContact O-N 3.24Å; L179-Y181 PolarHBondContact O-N 3.24Å; L179-Y181 VanDerWaalsContact O-N 3.11Å; Y181-R183 VanDerWaalsContact C-N 3.28Å; Y181-L209 HydrophobicContact CD2-CD1 4.16Å; Y181-L209 HydrophobicContact CE2-CD1 4.42Å; Y181-Q212 HydrophobicContact CE1-CB 4.07Å; Y181-Q212 VanDerWaalsContact CZ-CD 3.41Å; Y181-Q212 VanDerWaalsContact OH-CD 3.24Å; Y181-Q212 PolarHBondContact OH-OE1 3.32Å; Y181-M213 WeakPolarHBondContact CE1-O 3.49Å; Y181-R216 HydrophobicContact CD1-CB 3.83Å; Y181-R216 HydrophobicContact CD2-CB 4.34Å; Y181-R216 HydrophobicContact CE1-CB 3.58Å; Y181-R216 HydrophobicContact CE2-CB 4.14Å; Y181-R216 HydrophobicContact CE2-CG 4.3Å; Y181-R216 HydrophobicContact CG-CB 4.2Å; Y181-T237 VanDerWaalsContact CB-OG1 3.3Å; Y181-T237 WeakPolarHBondContact CB-OG1 3.37Å; Y181-R239 HydrophobicContact CD1-CG 4.06Å |
| 182 | E | 92.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -82.3 | -5.5 | 175.9 | -56.4 | -171.2 | -146.5 | 0 | 0 | 113.3 | T114 L179 R180 P184 Y235 T237 N320 S333 | T114-E182 HydrophobicContact CG2-CB 3.77Å; T114-E182 WeakPolarHBondContact CG2-OE2 3.11Å; L179-E182 HydrophobicContact CD1-CB 4.38Å; L179-E182 HydrophobicContact CD1-CG 4.47Å; L179-E182 WeakPolarHBondContact O-CB 3.49Å; L179-E182 PolarHBondContact O-N 2.82Å; R180-E182 PolarHBondContact O-N 2.71Å; E182-P184 VanDerWaalsContact C-N 3.34Å; E182-Y235 WeakPolarHBondContact OE1-CE2 3.42Å; E182-Y235 VanDerWaalsContact OE1-CZ 3.22Å; E182-Y235 PolarHBondContact OE1-OH 3.24Å; E182-T237 HydrophobicContact CG-CG2 4Å; E182-N320 PolarHBondContact OE2-ND2 2.85Å; E182-S333 VanDerWaalsContact CD-CB 3.41Å; E182-S333 WeakPolarHBondContact OE1-CB 3.23Å; E182-S333 PolarHBondContact OE1-OG 3.39Å; E182-S333 PolarHBondContact OE2-OG 3.49Å; E182-S333 VanDerWaalsContact OE2-OG 3.07Å |
| 183 | R | 91.7 | Very high | 95.7 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 42% | 0.415 | 20% | 0.201 | S | C | . | . | trans | 44.1 | 54.1 | -174.1 | -65.2 | -177 | -71.4 | 171.9 | 1 | 112.6 | R180 Y181 S240 D331 | R180-R183 PolarHBondContact O-N 2.8Å; R180-R183 VanDerWaalsContact O-N 3.15Å; Y181-R183 VanDerWaalsContact C-N 3.28Å; R183-S240 PolarHBondContact NH2-OG 2.89Å; R183-D331 IonicContact CZ-OD1 3.19Å; R183-D331 IonicContact CZ-OD2 2.66Å; R183-D331 IonicContact NE-OD1 2.78Å; R183-D331 IonicContact NE-OD2 2.72Å; R183-D331 PolarHBondContact NE-OD2 2.62Å; R183-D331 IonicContact NH2-OD1 2.71Å; R183-D331 PolarHBondContact NH2-OD1 3.25Å; R183-D331 IonicContact NH2-OD2 3.7Å; R183-D331 PolarHBondContact NH2-OD2 2.68Å | ||
| 184 | P | 94.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | trans | -69.7 | 158.8 | -175.7 | 34.3 | -39.8 | 0 | 0 | 0 | 111.3 | Y112 T113 T114 L179 E182 L203 Q206 | Y112-P184 HydrophobicContact CD2-CB 3.64Å; Y112-P184 HydrophobicContact CD2-CG 4.41Å; Y112-P184 HydrophobicContact CE2-CB 4.47Å; Y112-P184 HydrophobicContact CG-CB 4.21Å; T113-P184 CarbonylContact O-C 3.57Å; T113-P184 WeakPolarHBondContact O-CA 3.16Å; T114-P184 HydrophobicContact CG2-CB 3.87Å; L179-P184 HydrophobicContact CD1-CB 4.26Å; L179-P184 HydrophobicContact CD1-CG 3.91Å; L179-P184 HydrophobicContact CD2-CG 4.45Å; L179-P184 HydrophobicContact CG-CG 3.89Å; L179-P184 VanDerWaalsContact O-CD 3.3Å; L179-P184 WeakPolarHBondContact O-CD 3.43Å; E182-P184 VanDerWaalsContact C-N 3.34Å; P184-L203 HydrophobicContact CG-CD1 3.64Å; P184-Q206 PolarHBondContact O-NE2 3.49Å | ||
| 185 | W | 95 | Very high | 95.4 | Very high | 150 Ų | 150 | 43.7 Ų | 43.7 | 57% | 0.568 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111 | 163.1 | -178.2 | 50.3 | 0 | 0 | 0 | 110.6 | Y112 T113 Y187 Q206 | Y112-W185 CarbonylContact C-O 3.54Å; Y112-W185 WeakPolarHBondContact CA-O 3.09Å; T113-W185 HydrophobicContact CG2-CB 4.08Å; T113-W185 HydrophobicContact CG2-CE3 3.7Å; T113-W185 PolarHBondContact N-O 2.9Å; T113-W185 PolarHBondContact O-N 2.85Å; W185-Y187 HydrophobicContact CE3-CD1 4.38Å; W185-Y187 PolarHBondContact O-N 2.87Å; W185-Q206 VanDerWaalsContact CA-NE2 3.32Å |
| 186 | V | 96.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 109.4 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | L110 H189 L203 V204 | L110-V186 HydrophobicContact CD1-CG1 4.41Å; L110-V186 HydrophobicContact CD2-CG1 4.01Å; L110-V186 HydrophobicContact CD2-CG2 4.17Å; L110-V186 HydrophobicContact CG-CG1 3.81Å; V186-H189 HydrophobicContact CG1-CB 3.88Å; V186-L203 HydrophobicContact CG2-CD1 4.44Å; V186-L203 HydrophobicContact CG2-CG 4.22Å; V186-V204 HydrophobicContact CG1-CG2 4.29Å |
| 187 | Y | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -7.4 | -173.8 | 60.7 | -102.9 | 0 | 0 | 0 | 113.7 | M111 Y112 T113 Y122 K145 W185 | M111-Y187 HydrophobicContact CB-CD2 4.18Å; M111-Y187 HydrophobicContact CB-CE1 4.25Å; M111-Y187 HydrophobicContact CB-CE2 3.41Å; M111-Y187 VanDerWaalsContact CB-CE2 3.41Å; M111-Y187 VanDerWaalsContact CB-CZ 3.46Å; M111-Y187 WeakPolarHBondContact CB-OH 3.44Å; M111-Y187 HydrophobicContact CG-CE2 4.37Å; M111-Y187 PolarHBondContact O-N 3.05Å; M111-Y187 HydrophobicContact SD-CE2 4.1Å; Y112-Y187 WeakPolarHBondContact O-CE1 3.48Å; T113-Y187 HydrophobicContact CG2-CD1 4.21Å; T113-Y187 HydrophobicContact CG2-CE1 4.43Å; Y122-Y187 HydrophobicContact CD1-CE1 4.25Å; K145-Y187 PolarHBondContact NZ-O 2.86Å; W185-Y187 HydrophobicContact CE3-CD1 4.38Å; W185-Y187 PolarHBondContact O-N 2.87Å |
| 188 | L | 95.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 127.8 | 168.4 | -176.4 | 147.9 | 0 | 0 | 0 | 107.4 | Y98 R109 L110 M111 K145 | Y98-L188 WeakPolarHBondContact OH-CD1 3.24Å; R109-L188 HydrophobicContact CB-CD2 4.29Å; L110-L188 CarbonylContact C-O 3.54Å; L110-L188 WeakPolarHBondContact CA-O 3.09Å; M111-L188 HydrophobicContact CB-CB 4.03Å; M111-L188 HydrophobicContact CE-CD1 4.41Å; M111-L188 HydrophobicContact CE-CD2 4.42Å; M111-L188 HydrophobicContact CG-CB 4.18Å; M111-L188 HydrophobicContact CG-CD2 4.09Å; M111-L188 PolarHBondContact N-O 2.88Å; M111-L188 PolarHBondContact O-N 3.4Å; M111-L188 HydrophobicContact SD-CB 4.19Å; M111-L188 HydrophobicContact SD-CD1 4.03Å; M111-L188 HydrophobicContact SD-CD2 4.26Å; M111-L188 HydrophobicContact SD-CG 4.39Å; K145-L188 HydrophobicContact CB-CD1 4.37Å; K145-L188 HydrophobicContact CD-CD1 4.09Å; K145-L188 HydrophobicContact CG-CD1 3.93Å |
| 189 | H | 96 | Very high | 95.1 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.44 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.3 | 171.4 | 65.1 | 94.8 | 0 | 0 | 0 | 111.2 | R109 V186 V204 | R109-H189 CarbonylContact O-C 3.6Å; R109-H189 WeakPolarHBondContact O-CA 3.3Å; V186-H189 HydrophobicContact CG1-CB 3.88Å; H189-V204 HydrophobicContact CB-CG2 3.95Å |
| 190 | Y | 96.1 | Very high | 95.2 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 120.6 | 161.9 | -179.4 | -89.8 | 0 | 0 | 0 | 107.4 | R105 S107 R109 P192 | R105-Y190 WeakPolarHBondContact CA-OH 3.38Å; R105-Y190 HydrophobicContact CB-CE1 4.11Å; R105-Y190 HydrophobicContact CB-CE2 4.22Å; R105-Y190 WeakPolarHBondContact CB-OH 3.38Å; R105-Y190 VanDerWaalsContact CD-CZ 3.46Å; R105-Y190 HydrophobicContact CG-CE2 4.19Å; R105-Y190 WeakPolarHBondContact O-CE1 3.37Å; R105-Y190 PolarHBondContact O-OH 2.98Å; S107-Y190 VanDerWaalsContact O-CD1 3.26Å; S107-Y190 WeakPolarHBondContact O-CD1 3.32Å; R109-Y190 PolarHBondContact N-O 3.33Å; R109-Y190 PolarHBondContact O-N 3.41Å; Y190-P192 HydrophobicContact CD1-CG 4.29Å; Y190-P192 HydrophobicContact CE1-CB 4.49Å; Y190-P192 HydrophobicContact CE1-CG 3.86Å |
| 191 | L | 96.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | trans | -114.3 | 104.7 | -177.4 | -58 | -172.7 | 0 | 0 | 0 | 109 | L108 F195 Q196 V204 | L108-L191 HydrophobicContact CD1-CD2 3.34Å; L191-F195 HydrophobicContact CB-CB 4.23Å; L191-F195 HydrophobicContact CD2-CB 4.31Å; L191-Q196 HydrophobicContact CB-CG 4.11Å; L191-Q196 PolarHBondContact O-NE2 3.03Å; L191-V204 HydrophobicContact CD1-CG2 3.95Å; L191-V204 HydrophobicContact CD2-CG2 4.44Å; L191-V204 HydrophobicContact CG-CG2 4.4Å | ||
| 192 | P | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | trans | -53.8 | 161.2 | 164.1 | -21.1 | 29.5 | 0 | 0 | 0 | 111.5 | D106 S107 Y190 E194 F195 Q196 | D106-P192 VanDerWaalsContact O-CG 3.3Å; D106-P192 WeakPolarHBondContact O-CG 3.16Å; S107-P192 VanDerWaalsContact C-CG 3.49Å; Y190-P192 HydrophobicContact CD1-CG 4.29Å; Y190-P192 HydrophobicContact CE1-CB 4.49Å; Y190-P192 HydrophobicContact CE1-CG 3.86Å; P192-E194 VanDerWaalsContact CB-CD 3.49Å; P192-E194 WeakPolarHBondContact CB-OE2 3.49Å; P192-E194 PolarHBondContact O-N 3.35Å; P192-E194 VanDerWaalsContact O-N 3.12Å; P192-F195 HydrophobicContact CB-CD2 4.07Å; P192-F195 HydrophobicContact CG-CD2 3.93Å; P192-F195 HydrophobicContact CG-CE2 4.43Å; P192-F195 CarbonylContact O-C 3.47Å; P192-F195 WeakPolarHBondContact O-CA 3.31Å; P192-F195 PolarHBondContact O-N 3.46Å; P192-Q196 PolarHBondContact O-N 2.93Å | ||
| 193 | V | 95.1 | Very high | 95.6 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 70% | 0.697 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -54.8 | -37.1 | -171.5 | 120.7 | 0 | 0 | 0 | 0 | 112.7 | F195 Q196 | V193-F195 PolarHBondContact O-N 2.79Å; V193-Q196 WeakPolarHBondContact O-CB 3.29Å; V193-Q196 PolarHBondContact O-N 3.22Å; V193-Q196 VanDerWaalsContact O-N 3.12Å |
| 194 | E | 94 | Very high | 95.8 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -68.5 | -21 | 178.7 | 66.4 | -88.5 | -149.2 | 0 | 0 | 113.5 | P192 | P192-E194 VanDerWaalsContact CB-CD 3.49Å; P192-E194 WeakPolarHBondContact CB-OE2 3.49Å; P192-E194 PolarHBondContact O-N 3.35Å; P192-E194 VanDerWaalsContact O-N 3.12Å |
| 195 | F | 96.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -97.6 | -2.5 | 174 | -64 | -81.2 | 0 | 0 | 0 | 112.5 | L108 L172 L191 P192 V193 T197 Y200 | L108-F195 HydrophobicContact CB-CD2 4Å; L108-F195 HydrophobicContact CB-CE1 4.4Å; L108-F195 HydrophobicContact CB-CE2 3.84Å; L108-F195 HydrophobicContact CB-CG 4.36Å; L108-F195 HydrophobicContact CB-CZ 4.06Å; L108-F195 HydrophobicContact CD1-CB 4.27Å; L108-F195 HydrophobicContact CD1-CD1 4.21Å; L108-F195 HydrophobicContact CD1-CD2 4.44Å; L108-F195 HydrophobicContact CD1-CG 4.05Å; L108-F195 HydrophobicContact CD2-CD1 4Å; L108-F195 HydrophobicContact CD2-CE1 3.83Å; L108-F195 HydrophobicContact CD2-CZ 4.22Å; L108-F195 HydrophobicContact CG-CD1 4.48Å; L172-F195 HydrophobicContact CB-CE1 4.44Å; L172-F195 HydrophobicContact CD1-CE1 3.72Å; L172-F195 HydrophobicContact CD1-CZ 3.83Å; L191-F195 HydrophobicContact CB-CB 4.23Å; L191-F195 HydrophobicContact CD2-CB 4.31Å; P192-F195 HydrophobicContact CB-CD2 4.07Å; P192-F195 HydrophobicContact CG-CD2 3.93Å; P192-F195 HydrophobicContact CG-CE2 4.43Å; P192-F195 CarbonylContact O-C 3.47Å; P192-F195 WeakPolarHBondContact O-CA 3.31Å; P192-F195 PolarHBondContact O-N 3.46Å; V193-F195 PolarHBondContact O-N 2.79Å; F195-T197 PolarHBondContact O-N 3.35Å; F195-Y200 HydrophobicContact CB-CD2 4.26Å; F195-Y200 HydrophobicContact CB-CG 4.43Å; F195-Y200 HydrophobicContact CD1-CD1 4.22Å; F195-Y200 AromaticContact CD1-CD2 3.97Å; F195-Y200 HydrophobicContact CD1-CD2 3.97Å; F195-Y200 AromaticContact CD1-CE1 3.86Å; F195-Y200 HydrophobicContact CD1-CE1 3.86Å; F195-Y200 AromaticContact CD1-CE2 3.58Å; F195-Y200 HydrophobicContact CD1-CE2 3.58Å; F195-Y200 HydrophobicContact CD1-CG 4.26Å; F195-Y200 AromaticContact CD1-CZ 3.5Å; F195-Y200 HydrophobicContact CE1-CE1 4.27Å; F195-Y200 HydrophobicContact CE1-CE2 4.24Å; F195-Y200 AromaticContact CE1-CZ 3.83Å; F195-Y200 VanDerWaalsContact O-CB 3.24Å; F195-Y200 WeakPolarHBondContact O-CB 3.39Å |
| 196 | Q | 96 | Very high | 95.4 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -80.9 | 55.6 | 172.8 | -65.1 | 175.5 | 21.2 | 0 | 0 | 110.6 | L191 P192 V193 I201 | L191-Q196 HydrophobicContact CB-CG 4.11Å; L191-Q196 PolarHBondContact O-NE2 3.03Å; P192-Q196 PolarHBondContact O-N 2.93Å; V193-Q196 WeakPolarHBondContact O-CB 3.29Å; V193-Q196 PolarHBondContact O-N 3.22Å; V193-Q196 VanDerWaalsContact O-N 3.12Å; Q196-I201 HydrophobicContact CB-CD1 4.24Å; Q196-I201 VanDerWaalsContact O-CD1 3.29Å; Q196-I201 WeakPolarHBondContact O-CD1 3.39Å |
| 197 | T | 96.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -151.9 | 173.5 | 179.5 | -167 | 0 | 0 | 0 | 0 | 110.6 | F195 Y200 I201 | F195-T197 PolarHBondContact O-N 3.35Å; T197-Y200 HydrophobicContact CG2-CD2 4.43Å; T197-Y200 PolarHBondContact O-N 3.48Å; T197-I201 PolarHBondContact O-N 2.88Å |
| 198 | S | 95.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 135.3 | 176.1 | -161.5 | 0 | 0 | 0 | 0 | 111.7 | E202 | S198-E202 VanDerWaalsContact CA-OE2 3.25Å; S198-E202 WeakPolarHBondContact CA-OE2 3.43Å; S198-E202 WeakPolarHBondContact CB-OE1 3.23Å; S198-E202 PolarHBondContact OG-OE1 2.93Å; S198-E202 PolarHBondContact OG-OE2 2.81Å |
| 199 | P | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -99.1 | 10.8 | 9.4 | 40.7 | -38.9 | 0 | 0 | 0 | 114.6 | Q173 A176 R177 E202 L203 | Q173-P199 HydrophobicContact CG-CG 4.29Å; A176-P199 HydrophobicContact CB-CG 3.78Å; R177-P199 HydrophobicContact CB-CB 4.26Å; R177-P199 HydrophobicContact CB-CG 3.98Å; P199-E202 VanDerWaalsContact C-OE2 3.25Å; P199-E202 WeakPolarHBondContact CA-OE2 3.45Å; P199-L203 WeakPolarHBondContact O-CB 3.25Å; P199-L203 PolarHBondContact O-N 3.11Å; P199-L203 VanDerWaalsContact O-N 3.12Å |
| 200 | Y | 97.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.1 | -39.4 | -168.5 | -54.6 | -77.4 | 0 | 0 | 0 | 112.8 | L172 Q173 A176 F195 T197 E202 L203 V204 | L172-Y200 HydrophobicContact CB-CE1 4.21Å; L172-Y200 VanDerWaalsContact CB-OH 3.25Å; L172-Y200 WeakPolarHBondContact CB-OH 3.18Å; Q173-Y200 VanDerWaalsContact CA-OH 3.28Å; Q173-Y200 WeakPolarHBondContact CA-OH 3.24Å; Q173-Y200 PolarHBondContact N-OH 3.41Å; A176-Y200 HydrophobicContact CB-CD1 3.5Å; A176-Y200 HydrophobicContact CB-CE1 3.47Å; A176-Y200 VanDerWaalsContact CB-CE1 3.47Å; A176-Y200 HydrophobicContact CB-CG 4.48Å; F195-Y200 HydrophobicContact CB-CD2 4.26Å; F195-Y200 HydrophobicContact CB-CG 4.43Å; F195-Y200 HydrophobicContact CD1-CD1 4.22Å; F195-Y200 AromaticContact CD1-CD2 3.97Å; F195-Y200 HydrophobicContact CD1-CD2 3.97Å; F195-Y200 AromaticContact CD1-CE1 3.86Å; F195-Y200 HydrophobicContact CD1-CE1 3.86Å; F195-Y200 AromaticContact CD1-CE2 3.58Å; F195-Y200 HydrophobicContact CD1-CE2 3.58Å; F195-Y200 HydrophobicContact CD1-CG 4.26Å; F195-Y200 AromaticContact CD1-CZ 3.5Å; F195-Y200 HydrophobicContact CE1-CE1 4.27Å; F195-Y200 HydrophobicContact CE1-CE2 4.24Å; F195-Y200 AromaticContact CE1-CZ 3.83Å; F195-Y200 VanDerWaalsContact O-CB 3.24Å; F195-Y200 WeakPolarHBondContact O-CB 3.39Å; T197-Y200 HydrophobicContact CG2-CD2 4.43Å; T197-Y200 PolarHBondContact O-N 3.48Å; Y200-E202 VanDerWaalsContact C-N 3.35Å; Y200-L203 WeakPolarHBondContact O-CB 3.23Å; Y200-L203 PolarHBondContact O-N 3.11Å; Y200-V204 PolarHBondContact O-N 3.36Å |
| 201 | I | 96.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 70.7 Ų | 70.7 | 33% | 0.328 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 175.4 | -71.3 | 178.3 | 0 | 0 | 0 | 109.2 | Q196 T197 L203 V204 D205 | Q196-I201 HydrophobicContact CB-CD1 4.24Å; Q196-I201 VanDerWaalsContact O-CD1 3.29Å; Q196-I201 WeakPolarHBondContact O-CD1 3.39Å; T197-I201 PolarHBondContact O-N 2.88Å; I201-L203 PolarHBondContact O-N 3.4Å; I201-V204 PolarHBondContact O-N 2.97Å; I201-D205 VanDerWaalsContact CG2-OD2 3.27Å; I201-D205 WeakPolarHBondContact CG2-OD2 3.41Å; I201-D205 WeakPolarHBondContact O-CB 3.25Å; I201-D205 PolarHBondContact O-N 2.91Å |
| 202 | E | 95 | Very high | 90 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 16% | 0.159 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.6 | -25.3 | -178.3 | -57.1 | 94.2 | 140.6 | 0 | 0 | 112.9 | S198 P199 Y200 Q206 E207 | S198-E202 VanDerWaalsContact CA-OE2 3.25Å; S198-E202 WeakPolarHBondContact CA-OE2 3.43Å; S198-E202 WeakPolarHBondContact CB-OE1 3.23Å; S198-E202 PolarHBondContact OG-OE1 2.93Å; S198-E202 PolarHBondContact OG-OE2 2.81Å; P199-E202 VanDerWaalsContact C-OE2 3.25Å; P199-E202 WeakPolarHBondContact CA-OE2 3.45Å; Y200-E202 VanDerWaalsContact C-N 3.35Å; E202-Q206 PolarHBondContact O-N 2.87Å; E202-E207 HydrophobicContact CB-CB 4.01Å; E202-E207 HydrophobicContact CG-CB 4.4Å; E202-E207 WeakPolarHBondContact CG-OE2 3.34Å; E202-E207 PolarHBondContact O-N 3.33Å |
| 203 | L | 96.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68 | -42.4 | 171 | 173.8 | 64.2 | 0 | 0 | 0 | 111.1 | L110 A176 L179 R180 P184 V186 P199 Y200 I201 | L110-L203 HydrophobicContact CD1-CD2 3.64Å; L110-L203 HydrophobicContact CD1-CG 4.36Å; A176-L203 HydrophobicContact CB-CD2 3.99Å; L179-L203 HydrophobicContact CB-CD1 4.49Å; L179-L203 HydrophobicContact CD2-CD1 4.1Å; L179-L203 HydrophobicContact CD2-CD2 3.94Å; L179-L203 HydrophobicContact CG-CD1 3.94Å; R180-L203 HydrophobicContact CG-CB 3.88Å; R180-L203 HydrophobicContact CG-CD1 3.88Å; R180-L203 HydrophobicContact CG-CG 4.46Å; P184-L203 HydrophobicContact CG-CD1 3.64Å; V186-L203 HydrophobicContact CG2-CD1 4.44Å; V186-L203 HydrophobicContact CG2-CG 4.22Å; P199-L203 WeakPolarHBondContact O-CB 3.25Å; P199-L203 PolarHBondContact O-N 3.11Å; P199-L203 VanDerWaalsContact O-N 3.12Å; Y200-L203 WeakPolarHBondContact O-CB 3.23Å; Y200-L203 PolarHBondContact O-N 3.11Å; I201-L203 PolarHBondContact O-N 3.4Å |
| 204 | V | 96.5 | Very high | 89.5 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72 | -44.9 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | V186 H189 L191 Y200 I201 Q206 | V186-V204 HydrophobicContact CG1-CG2 4.29Å; H189-V204 HydrophobicContact CB-CG2 3.95Å; L191-V204 HydrophobicContact CD1-CG2 3.95Å; L191-V204 HydrophobicContact CD2-CG2 4.44Å; L191-V204 HydrophobicContact CG-CG2 4.4Å; Y200-V204 PolarHBondContact O-N 3.36Å; I201-V204 PolarHBondContact O-N 2.97Å; V204-Q206 PolarHBondContact O-N 3.47Å |
| 205 | D | 94.6 | Very high | 89.5 | Confident | 113 Ų | 113 | 73 Ų | 73 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3 | -179.9 | -67.8 | -15.3 | 0 | 0 | 0 | 112.8 | I201 E207 | I201-D205 VanDerWaalsContact CG2-OD2 3.27Å; I201-D205 WeakPolarHBondContact CG2-OD2 3.41Å; I201-D205 WeakPolarHBondContact O-CB 3.25Å; I201-D205 PolarHBondContact O-N 2.91Å; D205-E207 PolarHBondContact O-N 3.47Å |
| 206 | Q | 86.5 | Confident | 89.4 | Confident | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35.8 | -178.3 | -50.1 | -170.2 | -76 | 0 | 0 | 113 | P184 W185 E202 V204 E208 | P184-Q206 PolarHBondContact O-NE2 3.49Å; W185-Q206 VanDerWaalsContact CA-NE2 3.32Å; E202-Q206 PolarHBondContact O-N 2.87Å; V204-Q206 PolarHBondContact O-N 3.47Å; Q206-E208 PolarHBondContact O-N 2.99Å |
| 207 | E | 86.1 | Confident | 89.5 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | trans | -67.9 | 124.1 | -178.3 | -168.7 | -170.6 | 157.7 | 0 | 0 | 110.7 | R180 E202 D205 | R180-E207 PolarHBondContact NH2-O 2.94Å; E202-E207 HydrophobicContact CB-CB 4.01Å; E202-E207 HydrophobicContact CG-CB 4.4Å; E202-E207 WeakPolarHBondContact CG-OE2 3.34Å; E202-E207 PolarHBondContact O-N 3.33Å; D205-E207 PolarHBondContact O-N 3.47Å | ||
| 208 | E | 77.7 | Confident | 89.6 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | trans | -64.9 | 133.5 | -176.3 | -69.1 | -161.9 | 149.1 | 0 | 0 | 113.5 | Q206 R210 | Q206-E208 PolarHBondContact O-N 2.99Å; E208-R210 PolarHBondContact O-N 3.43Å | ||
| 209 | L | 77.6 | Confident | 89.7 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | trans | -80.2 | 98.5 | 172.3 | -67.8 | 162.7 | 0 | 0 | 0 | 110 | R180 Y181 Q212 R239 | R180-L209 HydrophobicContact CB-CD1 3.57Å; R180-L209 HydrophobicContact CB-CG 4.46Å; R180-L209 VanDerWaalsContact CZ-CD2 3.47Å; Y181-L209 HydrophobicContact CD2-CD1 4.16Å; Y181-L209 HydrophobicContact CE2-CD1 4.42Å; L209-Q212 HydrophobicContact CB-CG 4.46Å; L209-Q212 HydrophobicContact CD2-CG 4.49Å; L209-Q212 VanDerWaalsContact CD2-NE2 3.33Å; L209-R239 PolarHBondContact O-NH1 3.03Å | ||
| 210 | R | 71.9 | Confident | 89.8 | Confident | 229 Ų | 229 | 69.2 Ų | 69.2 | 86% | 0.864 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.5 | -31.4 | -178.1 | -67.9 | -174.6 | 177.2 | 177.2 | 0.9 | 114.3 | E208 | E208-R210 PolarHBondContact O-N 3.43Š|
| 211 | T | 71.5 | Confident | 89.8 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 84% | 0.84 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -133.9 | 67.1 | -167.2 | 41.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 212 | Q | 77 | Confident | 89.9 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | trans | -134.4 | 155.1 | 178.1 | -74.5 | -174.3 | -16.4 | 0 | 0 | 113.2 | Y181 L209 | Y181-Q212 HydrophobicContact CE1-CB 4.07Å; Y181-Q212 VanDerWaalsContact CZ-CD 3.41Å; Y181-Q212 VanDerWaalsContact OH-CD 3.24Å; Y181-Q212 PolarHBondContact OH-OE1 3.32Å; L209-Q212 HydrophobicContact CB-CG 4.46Å; L209-Q212 HydrophobicContact CD2-CG 4.49Å; L209-Q212 VanDerWaalsContact CD2-NE2 3.33Å | ||
| 213 | M | 88.8 | Confident | 89.9 | Confident | 134 Ų | 134 | 68.9 Ų | 68.9 | 66% | 0.66 | 35% | 0.345 | S | S | * | . | trans | -55.4 | 147.6 | 173.5 | -68.2 | -65 | -71.4 | 0 | 0 | 111.4 | Y181 I215 | Y181-M213 WeakPolarHBondContact CE1-O 3.49Å; M213-I215 PolarHBondContact O-N 3.43Å | ||
| 214 | P | 91 | Very high | 89.8 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -59.9 | -29 | 177.1 | 20.2 | -31.4 | 0 | 0 | 0 | 113.7 | K238 R239 H241 A242 | P214-K238 WeakPolarHBondContact O-CA 3.27Å; P214-R239 PolarHBondContact O-N 2.93Å; P214-H241 VanDerWaalsContact CA-CE1 3.41Å; P214-H241 WeakPolarHBondContact CA-CE1 3.18Å; P214-H241 VanDerWaalsContact CB-CE1 3.45Å; P214-H241 WeakPolarHBondContact CB-CE1 3.44Å; P214-A242 HydrophobicContact CB-CB 3.49Å; P214-A242 VanDerWaalsContact CB-CB 3.49Å |
| 215 | I | 94.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.6 | -175.2 | -62.2 | 161.3 | 0 | 0 | 0 | 108.1 | M213 V217 T237 L244 V250 | M213-I215 PolarHBondContact O-N 3.43Å; I215-V217 HydrophobicContact CG2-CG2 4.2Å; I215-T237 WeakPolarHBondContact CA-O 3.41Å; I215-L244 HydrophobicContact CD1-CD1 3.77Å; I215-L244 HydrophobicContact CG1-CD1 4.37Å; I215-V250 HydrophobicContact CD1-CB 4.46Å; I215-V250 HydrophobicContact CD1-CG1 4.04Å; I215-V250 HydrophobicContact CD1-CG2 3.7Å; I215-V250 HydrophobicContact CG1-CG1 4.22Å; I215-V250 HydrophobicContact CG1-CG2 4.08Å; I215-V250 HydrophobicContact CG2-CG1 3.66Å |
| 216 | R | 95.4 | Very high | 88.7 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.5 | 166.3 | 174.3 | 174.9 | -176 | 84.6 | 12.1 | 109.3 | T178 Y181 I236 T237 | T178-R216 HydrophobicContact CG2-CG 4.09Å; T178-R216 PolarHBondContact OG1-NE 3.21Å; Y181-R216 HydrophobicContact CD1-CB 3.83Å; Y181-R216 HydrophobicContact CD2-CB 4.34Å; Y181-R216 HydrophobicContact CE1-CB 3.58Å; Y181-R216 HydrophobicContact CE2-CB 4.14Å; Y181-R216 HydrophobicContact CE2-CG 4.3Å; Y181-R216 HydrophobicContact CG-CB 4.2Å; R216-I236 CarbonylContact O-C 3.58Å; R216-I236 WeakPolarHBondContact O-CA 3.35Å; R216-T237 WeakPolarHBondContact CB-OG1 3.43Å; R216-T237 PolarHBondContact N-O 3.29Å; R216-T237 PolarHBondContact O-N 3.26Å |
| 217 | V | 97.4 | Very high | 87.9 | Confident | 42 Ų | 42 | 81.8 Ų | 81.8 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.6 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | I215 I234 Y235 I236 F254 | I215-V217 HydrophobicContact CG2-CG2 4.2Å; V217-I234 HydrophobicContact CG1-CG2 3.57Å; V217-Y235 CarbonylContact C-O 3.5Å; V217-Y235 WeakPolarHBondContact CA-O 3.29Å; V217-I236 HydrophobicContact CG1-CG1 4.26Å; V217-I236 HydrophobicContact CG2-CG1 4.33Å; V217-I236 HydrophobicContact CG2-CG2 4.42Å; V217-F254 HydrophobicContact CB-CE2 4.16Å; V217-F254 HydrophobicContact CB-CZ 4.3Å; V217-F254 HydrophobicContact CG1-CD1 4.35Å; V217-F254 HydrophobicContact CG1-CD2 4.3Å; V217-F254 HydrophobicContact CG1-CE1 3.68Å; V217-F254 HydrophobicContact CG1-CE2 3.58Å; V217-F254 HydrophobicContact CG1-CZ 3.25Å; V217-F254 HydrophobicContact CG2-CD2 3.99Å; V217-F254 HydrophobicContact CG2-CE2 4.01Å; V217-F254 HydrophobicContact CG2-CG 4.35Å; V217-F254 HydrophobicContact CG2-CZ 4.42Å |
| 218 | Q | 97.9 | Very high | 87.4 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 103.2 | -178.8 | 179 | 62.5 | 74.3 | 0 | 0 | 109.5 | Q174 T178 L220 Y235 | Q174-Q218 HydrophobicContact CB-CG 4.01Å; T178-Q218 HydrophobicContact CG2-CB 4.1Å; T178-Q218 WeakPolarHBondContact OG1-CB 3.28Å; T178-Q218 WeakPolarHBondContact OG1-CG 3.32Å; Q218-L220 HydrophobicContact CG-CD2 3.87Å; Q218-L220 HydrophobicContact CG-CG 4.14Å; Q218-Y235 PolarHBondContact N-O 3.13Å; Q218-Y235 PolarHBondContact O-N 2.88Å |
| 219 | P | 98.1 | Very high | 88 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 137.2 | 166.2 | -18.9 | 32.5 | 0 | 0 | 0 | 110 | V233 | P219-V233 CarbonylContact C-O 3.59Å |
| 220 | L | 98.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 166.1 | 178.1 | -60.5 | 170.4 | 0 | 0 | 0 | 107.8 | W134 F167 Q174 I175 Q218 V233 | W134-L220 HydrophobicContact CZ3-CD1 4.43Å; F167-L220 HydrophobicContact CE1-CB 3.84Å; F167-L220 HydrophobicContact CE1-CD1 4.4Å; F167-L220 HydrophobicContact CZ-CB 4.31Å; F167-L220 HydrophobicContact CZ-CD1 4.14Å; Q174-L220 HydrophobicContact CB-CD2 3.94Å; I175-L220 HydrophobicContact CD1-CD1 4.33Å; I175-L220 HydrophobicContact CG1-CD1 3.71Å; I175-L220 HydrophobicContact CG1-CD2 4.13Å; Q218-L220 HydrophobicContact CG-CD2 3.87Å; Q218-L220 HydrophobicContact CG-CG 4.14Å; L220-V233 WeakPolarHBondContact CA-O 3.33Å; L220-V233 HydrophobicContact CB-CB 4.25Å; L220-V233 WeakPolarHBondContact CB-O 3.46Å; L220-V233 PolarHBondContact N-O 3.41Å; L220-V233 PolarHBondContact O-N 3.16Å |
| 221 | T | 97.5 | Very high | 89.8 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.2 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 108.8 | F167 A230 V231 | F167-T221 VanDerWaalsContact CD1-O 3.24Å; F167-T221 WeakPolarHBondContact CD1-O 3.24Å; T221-A230 HydrophobicContact CG2-CB 3.39Å; T221-V231 WeakPolarHBondContact CA-O 3.45Å |
| 222 | T | 97.9 | Very high | 91 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | trans | -57.6 | 151.6 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 110.6 | Q39 V165 S166 R224 V231 V233 | Q39-T222 HydrophobicContact CB-CG2 4.42Å; Q39-T222 PolarHBondContact NE2-OG1 3.45Å; V165-T222 HydrophobicContact CG1-CG2 3.67Å; S166-T222 CarbonylContact O-C 3.59Å; S166-T222 WeakPolarHBondContact O-CA 3.25Å; T222-R224 PolarHBondContact O-N 2.91Å; T222-V231 HydrophobicContact CG2-CB 3.99Å; T222-V231 WeakPolarHBondContact CG2-O 3.3Å; T222-V231 PolarHBondContact N-O 3.23Å; T222-V231 PolarHBondContact OG1-N 2.92Å; T222-V233 HydrophobicContact CG2-CG2 3.87Å | ||
| 223 | K | 96.1 | Very high | 92 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 13% | 0.13 | 34% | 0.337 | C | S | . | . | trans | -52.2 | 135.7 | 169.7 | -169.8 | 174.7 | -175.3 | 91.3 | 0 | 110.3 | L28 Q39 E130 N131 S166 D168 L225 | L28-K223 HydrophobicContact CD2-CD 3.73Å; Q39-K223 PolarHBondContact NE2-O 3.12Å; E130-K223 PolarHBondContact O-NZ 3.27Å; N131-K223 VanDerWaalsContact OD1-CD 3.26Å; N131-K223 WeakPolarHBondContact OD1-CD 3.26Å; N131-K223 WeakPolarHBondContact OD1-CE 3.4Å; N131-K223 PolarHBondContact OD1-NZ 3.03Å; S166-K223 PolarHBondContact O-N 3.17Å; D168-K223 IonicContact OD1-NZ 2.74Å; D168-K223 PolarHBondContact OD1-NZ 3.15Å; K223-L225 HydrophobicContact CD-CD2 3.9Å; K223-L225 HydrophobicContact CG-CD2 4.13Å; K223-L225 PolarHBondContact O-N 2.68Å | ||
| 224 | R | 93.8 | Very high | 92.5 | Very high | 169 Ų | 169 | 59.2 Ų | 59.2 | 64% | 0.638 | 31% | 0.311 | S | S | * | . | trans | -81.4 | 106.8 | 174.7 | -161 | 179 | -83 | -103.5 | 6.5 | 108.8 | T222 G228 A230 | T222-R224 PolarHBondContact O-N 2.91Å; R224-G228 WeakPolarHBondContact CG-O 3.49Å; R224-A230 HydrophobicContact CB-CB 4.4Å | ||
| 225 | L | 91.3 | Very high | 92.8 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | trans | -98.1 | 165.7 | 177.6 | -62.3 | 178.6 | 0 | 0 | 0 | 110.9 | L28 G37 Q39 K223 N227 G228 | L28-L225 HydrophobicContact CD1-CD2 4.28Å; G37-L225 VanDerWaalsContact C-CD1 3.49Å; G37-L225 WeakPolarHBondContact O-CD1 3.25Å; Q39-L225 HydrophobicContact CG-CB 4.42Å; Q39-L225 HydrophobicContact CG-CD1 4.16Å; Q39-L225 HydrophobicContact CG-CG 4.3Å; K223-L225 HydrophobicContact CD-CD2 3.9Å; K223-L225 HydrophobicContact CG-CD2 4.13Å; K223-L225 PolarHBondContact O-N 2.68Å; L225-N227 PolarHBondContact O-N 3.1Å; L225-G228 PolarHBondContact O-N 2.88Å | ||
| 226 | V | 77.3 | Confident | 93 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 81% | 0.806 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 125.9 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | G228 | V226-G228 PolarHBondContact O-N 2.81Š|
| 227 | N | 69.3 | Low | 93 | Very high | 173 Ų | 173 | 52.4 Ų | 52.4 | 93% | 0.925 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 7.4 | -179.5 | -53.7 | -26.1 | 0 | 0 | 0 | 116.5 | L225 | L225-N227 PolarHBondContact O-N 3.1Š|
| 228 | G | 76 | Confident | 92.8 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -103.8 | 136.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R224 L225 V226 | R224-G228 WeakPolarHBondContact CG-O 3.49Å; L225-G228 PolarHBondContact O-N 2.88Å; V226-G228 PolarHBondContact O-N 2.81Å |
| 229 | K | 88.4 | Confident | 92.5 | Very high | 175 Ų | 175 | 50.9 Ų | 50.9 | 76% | 0.761 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 136.4 | 161.6 | -71.3 | -174.7 | -179.3 | -179.4 | 0 | 108.2 | Q39 V231 | Q39-K229 PolarHBondContact NE2-O 3.28Å; Q39-K229 PolarHBondContact OE1-O 2.69Å; K229-V231 PolarHBondContact O-N 2.87Å |
| 230 | A | 92.8 | Very high | 92.1 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 138 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | T221 R224 | T221-A230 HydrophobicContact CG2-CB 3.39Å; R224-A230 HydrophobicContact CB-CB 4.4Å |
| 231 | V | 95.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 141 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | T221 T222 K229 I337 | T221-V231 WeakPolarHBondContact CA-O 3.45Å; T222-V231 HydrophobicContact CG2-CB 3.99Å; T222-V231 WeakPolarHBondContact CG2-O 3.3Å; T222-V231 PolarHBondContact N-O 3.23Å; T222-V231 PolarHBondContact OG1-N 2.92Å; K229-V231 PolarHBondContact O-N 2.87Å; V231-I337 HydrophobicContact CG1-CD1 3.8Å; V231-I337 HydrophobicContact CG1-CG1 3.58Å |
| 232 | E | 96.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 136.1 | 174.9 | -174.1 | 169.7 | -128.5 | 0 | 0 | 110.4 | I234 | E232-I234 HydrophobicContact CG-CG1 4.27Å |
| 233 | V | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.7 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 107.6 | V165 F167 P219 L220 T222 V335 C336 I337 | V165-V233 HydrophobicContact CG1-CG2 4.25Å; F167-V233 HydrophobicContact CZ-CB 4.49Å; F167-V233 HydrophobicContact CZ-CG1 4.44Å; P219-V233 CarbonylContact C-O 3.59Å; L220-V233 WeakPolarHBondContact CA-O 3.33Å; L220-V233 HydrophobicContact CB-CB 4.25Å; L220-V233 WeakPolarHBondContact CB-O 3.46Å; L220-V233 PolarHBondContact N-O 3.41Å; L220-V233 PolarHBondContact O-N 3.16Å; T222-V233 HydrophobicContact CG2-CG2 3.87Å; V233-V335 HydrophobicContact CG1-CG1 3.44Å; V233-V335 VanDerWaalsContact CG1-CG1 3.44Å; V233-C336 CarbonylContact C-O 3.59Å; V233-C336 VanDerWaalsContact CA-O 3.29Å; V233-C336 WeakPolarHBondContact CA-O 2.85Å; V233-I337 HydrophobicContact CG2-CD1 4.44Å; V233-I337 HydrophobicContact CG2-CG1 4.23Å |
| 234 | I | 98.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.4 | -178.7 | -50.7 | 178.9 | 0 | 0 | 0 | 108.2 | V217 E232 I236 F254 V335 C336 | V217-I234 HydrophobicContact CG1-CG2 3.57Å; E232-I234 HydrophobicContact CG-CG1 4.27Å; I234-I236 HydrophobicContact CG2-CD1 4.15Å; I234-I236 HydrophobicContact CG2-CG1 3.8Å; I234-F254 HydrophobicContact CD1-CE1 4.08Å; I234-F254 HydrophobicContact CG2-CE1 3.85Å; I234-F254 HydrophobicContact CG2-CZ 4.38Å; I234-V335 WeakPolarHBondContact O-CA 3.43Å; I234-C336 HydrophobicContact CB-CB 4.41Å; I234-C336 PolarHBondContact N-O 2.96Å; I234-C336 PolarHBondContact O-N 2.75Å |
| 235 | Y | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.6 | 176.7 | -176.9 | -167.5 | 0 | 0 | 0 | 109.9 | W134 T178 L179 E182 V217 Q218 T237 V335 | W134-Y235 AromaticContact CH2-CD1 3.56Å; W134-Y235 HydrophobicContact CH2-CD1 3.56Å; W134-Y235 AromaticContact CH2-CD2 3.98Å; W134-Y235 HydrophobicContact CH2-CD2 3.98Å; W134-Y235 AromaticContact CH2-CE1 3.39Å; W134-Y235 HydrophobicContact CH2-CE1 3.39Å; W134-Y235 AromaticContact CH2-CE2 3.82Å; W134-Y235 HydrophobicContact CH2-CE2 3.82Å; W134-Y235 AromaticContact CH2-CG 3.86Å; W134-Y235 HydrophobicContact CH2-CG 3.86Å; W134-Y235 AromaticContact CH2-CZ 3.52Å; W134-Y235 HydrophobicContact CZ2-CE1 4.01Å; W134-Y235 HydrophobicContact CZ2-CE2 4.46Å; W134-Y235 AromaticContact CZ2-CZ 3.95Å; W134-Y235 AromaticContact CZ3-CD1 3.94Å; W134-Y235 HydrophobicContact CZ3-CD1 3.94Å; W134-Y235 HydrophobicContact CZ3-CE1 4.17Å; W134-Y235 HydrophobicContact CZ3-CG 4.21Å; T178-Y235 VanDerWaalsContact CB-CE1 3.48Å; T178-Y235 HydrophobicContact CG2-CD1 3.31Å; T178-Y235 HydrophobicContact CG2-CD2 4.11Å; T178-Y235 HydrophobicContact CG2-CE1 3.43Å; T178-Y235 VanDerWaalsContact CG2-CE1 3.43Å; T178-Y235 HydrophobicContact CG2-CE2 4.21Å; T178-Y235 HydrophobicContact CG2-CG 3.67Å; L179-Y235 VanDerWaalsContact CA-OH 3.27Å; L179-Y235 WeakPolarHBondContact CA-OH 3.36Å; L179-Y235 HydrophobicContact CB-CE1 4.43Å; E182-Y235 WeakPolarHBondContact OE1-CE2 3.42Å; E182-Y235 VanDerWaalsContact OE1-CZ 3.22Å; E182-Y235 PolarHBondContact OE1-OH 3.24Å; V217-Y235 CarbonylContact C-O 3.5Å; V217-Y235 WeakPolarHBondContact CA-O 3.29Å; Q218-Y235 PolarHBondContact N-O 3.13Å; Q218-Y235 PolarHBondContact O-N 2.88Å; Y235-T237 HydrophobicContact CD2-CG2 4.05Å; Y235-T237 HydrophobicContact CE2-CG2 3.53Å; Y235-V335 HydrophobicContact CD2-CG2 3.7Å; Y235-V335 HydrophobicContact CE2-CG2 4.12Å; Y235-V335 HydrophobicContact CG-CG2 4.25Å |
| 236 | I | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.6 | -176.1 | -56.7 | 174.9 | 0 | 0 | 0 | 108.5 | R216 V217 I234 L246 V250 I251 F254 S333 A334 | R216-I236 CarbonylContact O-C 3.58Å; R216-I236 WeakPolarHBondContact O-CA 3.35Å; V217-I236 HydrophobicContact CG1-CG1 4.26Å; V217-I236 HydrophobicContact CG2-CG1 4.33Å; V217-I236 HydrophobicContact CG2-CG2 4.42Å; I234-I236 HydrophobicContact CG2-CD1 4.15Å; I234-I236 HydrophobicContact CG2-CG1 3.8Å; I236-L246 HydrophobicContact CG2-CD1 4.33Å; I236-V250 HydrophobicContact CG2-CG1 3.7Å; I236-I251 HydrophobicContact CD1-CG1 4.08Å; I236-I251 HydrophobicContact CG2-CG1 4.45Å; I236-F254 HydrophobicContact CD1-CD1 3.9Å; I236-F254 HydrophobicContact CD1-CE1 4.39Å; I236-S333 CarbonylContact O-C 3.59Å; I236-S333 WeakPolarHBondContact O-CA 3.33Å; I236-S333 VanDerWaalsContact O-CB 3.24Å; I236-S333 WeakPolarHBondContact O-CB 3.5Å; I236-A334 PolarHBondContact N-O 2.98Å; I236-A334 PolarHBondContact O-N 2.97Å |
| 237 | T | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.1 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | T178 Y181 E182 I215 R216 Y235 S332 | T178-T237 HydrophobicContact CG2-CG2 3.61Å; Y181-T237 VanDerWaalsContact CB-OG1 3.3Å; Y181-T237 WeakPolarHBondContact CB-OG1 3.37Å; E182-T237 HydrophobicContact CG-CG2 4Å; I215-T237 WeakPolarHBondContact CA-O 3.41Å; R216-T237 WeakPolarHBondContact CB-OG1 3.43Å; R216-T237 PolarHBondContact N-O 3.29Å; R216-T237 PolarHBondContact O-N 3.26Å; Y235-T237 HydrophobicContact CD2-CG2 4.05Å; Y235-T237 HydrophobicContact CE2-CG2 3.53Å; T237-S332 WeakPolarHBondContact CA-O 3.3Å |
| 238 | K | 94 | Very high | 92 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.2 | 173.5 | 177.4 | -160.4 | 67.2 | 81.3 | 0 | 109 | P214 A242 L244 L246 K328 L330 D331 S332 | P214-K238 WeakPolarHBondContact O-CA 3.27Å; K238-A242 HydrophobicContact CG-CB 4.46Å; K238-L244 HydrophobicContact CD-CB 3.8Å; K238-L244 WeakPolarHBondContact CD-O 3.5Å; K238-L244 WeakPolarHBondContact CE-O 3.14Å; K238-L244 PolarHBondContact NZ-O 3.06Å; K238-L246 HydrophobicContact CB-CD1 3.98Å; K238-L246 HydrophobicContact CD-CB 4.49Å; K238-K328 PolarHBondContact NZ-O 3.05Å; K238-L330 PolarHBondContact NZ-O 3.42Å; K238-D331 WeakPolarHBondContact O-CA 3.27Å; K238-S332 WeakPolarHBondContact CE-OG 3.5Å; K238-S332 PolarHBondContact N-O 3.28Å; K238-S332 PolarHBondContact O-N 3.05Å |
| 239 | R | 91.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | trans | -86.7 | 152 | 172.5 | -63.1 | -166.3 | 66.9 | -173.6 | 2.4 | 112.7 | Y181 L209 P214 H241 A242 D331 | Y181-R239 HydrophobicContact CD1-CG 4.06Å; L209-R239 PolarHBondContact O-NH1 3.03Å; P214-R239 PolarHBondContact O-N 2.93Å; R239-H241 VanDerWaalsContact C-N 3.3Å; R239-H241 PolarHBondContact O-N 2.95Å; R239-A242 WeakPolarHBondContact O-CB 3.24Å; R239-A242 PolarHBondContact O-N 2.89Å; R239-D331 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 240 | S | 88.9 | Confident | 93.1 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -56.6 | -38.3 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | R183 A242 A243 S329 D331 | R183-S240 PolarHBondContact NH2-OG 2.89Å; S240-A242 PolarHBondContact O-N 2.87Å; S240-A243 PolarHBondContact O-N 2.94Å; S240-A243 VanDerWaalsContact O-N 3.1Å; S240-S329 WeakPolarHBondContact CB-O 3.43Å; S240-D331 PolarHBondContact N-OD1 3.09Å; S240-D331 PolarHBondContact OG-OD1 3.21Å |
| 241 | H | 85.5 | Confident | 93.3 | Very high | 107 Ų | 107 | 25.2 Ų | 25.2 | 50% | 0.495 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -63.4 | -16.4 | -176.8 | 73 | 66.3 | 0 | 0 | 0 | 114 | P214 R239 A243 | P214-H241 VanDerWaalsContact CA-CE1 3.41Å; P214-H241 WeakPolarHBondContact CA-CE1 3.18Å; P214-H241 VanDerWaalsContact CB-CE1 3.45Å; P214-H241 WeakPolarHBondContact CB-CE1 3.44Å; R239-H241 VanDerWaalsContact C-N 3.3Å; R239-H241 PolarHBondContact O-N 2.95Å; H241-A243 VanDerWaalsContact C-N 3.35Å |
| 242 | A | 84.3 | Confident | 93.3 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -77.7 | -23.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P214 K238 R239 S240 L244 | P214-A242 HydrophobicContact CB-CB 3.49Å; P214-A242 VanDerWaalsContact CB-CB 3.49Å; K238-A242 HydrophobicContact CG-CB 4.46Å; R239-A242 WeakPolarHBondContact O-CB 3.24Å; R239-A242 PolarHBondContact O-N 2.89Å; S240-A242 PolarHBondContact O-N 2.87Å; A242-L244 HydrophobicContact CB-CB 4.42Å; A242-L244 HydrophobicContact CB-CD1 3.95Å; A242-L244 HydrophobicContact CB-CG 3.88Å; A242-L244 PolarHBondContact O-N 3.18Å; A242-L244 VanDerWaalsContact O-N 3.11Å |
| 243 | A | 88.2 | Confident | 93.2 | Very high | 61 Ų | 61 | 23.1 Ų | 23.1 | 50% | 0.504 | 14% | 0.136 | S | C | . | . | trans | 50.5 | 29.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S240 H241 K328 | S240-A243 PolarHBondContact O-N 2.94Å; S240-A243 VanDerWaalsContact O-N 3.1Å; H241-A243 VanDerWaalsContact C-N 3.35Å; A243-K328 WeakPolarHBondContact CA-O 3.26Å | ||
| 244 | L | 90.9 | Very high | 93 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | trans | -91.5 | 151.7 | -179.5 | -61.1 | 172.6 | 0 | 0 | 0 | 111.9 | I215 K238 A242 L246 D249 V250 K328 | I215-L244 HydrophobicContact CD1-CD1 3.77Å; I215-L244 HydrophobicContact CG1-CD1 4.37Å; K238-L244 HydrophobicContact CD-CB 3.8Å; K238-L244 WeakPolarHBondContact CD-O 3.5Å; K238-L244 WeakPolarHBondContact CE-O 3.14Å; K238-L244 PolarHBondContact NZ-O 3.06Å; A242-L244 HydrophobicContact CB-CB 4.42Å; A242-L244 HydrophobicContact CB-CD1 3.95Å; A242-L244 HydrophobicContact CB-CG 3.88Å; A242-L244 PolarHBondContact O-N 3.18Å; A242-L244 VanDerWaalsContact O-N 3.11Å; L244-L246 PolarHBondContact O-N 3.28Å; L244-D249 HydrophobicContact CB-CB 4.06Å; L244-D249 HydrophobicContact CD2-CB 4.13Å; L244-V250 HydrophobicContact CB-CG2 4.49Å; L244-V250 HydrophobicContact CD1-CG2 4.35Å; L244-K328 WeakPolarHBondContact O-CA 3.27Å | ||
| 245 | D | 91.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | trans | -74.8 | 116.9 | 164.1 | -173.9 | -55.7 | 0 | 0 | 0 | 109.2 | F247 V248 D249 K328 | D245-F247 PolarHBondContact O-N 3.23Å; D245-F247 VanDerWaalsContact O-N 3.12Å; D245-F247 WeakPolarHBondContact OD1-CA 3.29Å; D245-F247 WeakPolarHBondContact OD1-CB 3.47Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.42Å; D245-F247 PolarHBondContact OD1-N 2.89Å; D245-V248 HydrophobicContact CB-CB 4.4Å; D245-V248 PolarHBondContact OD1-N 3.1Å; D245-D249 WeakPolarHBondContact CB-OD2 3.37Å; D245-D249 PolarHBondContact N-OD2 2.82Å; D245-D249 VanDerWaalsContact O-CB 3.29Å; D245-D249 WeakPolarHBondContact O-CB 3.49Å; D245-D249 PolarHBondContact O-N 3.28Å; D245-K328 HydrophobicContact CB-CG 4.43Å | ||
| 246 | L | 94.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -54.5 | -34.9 | -179.1 | 175.2 | 65.3 | 0 | 0 | 0 | 112.2 | I236 K238 L244 V250 I251 S332 | I236-L246 HydrophobicContact CG2-CD1 4.33Å; K238-L246 HydrophobicContact CB-CD1 3.98Å; K238-L246 HydrophobicContact CD-CB 4.49Å; L244-L246 PolarHBondContact O-N 3.28Å; L246-V250 HydrophobicContact CD1-CB 4.46Å; L246-V250 VanDerWaalsContact O-CB 3.3Å; L246-V250 WeakPolarHBondContact O-CB 3.25Å; L246-I251 HydrophobicContact CD1-CD1 4.27Å; L246-I251 HydrophobicContact CD1-CG1 4.35Å; L246-I251 HydrophobicContact CD2-CD1 4.21Å; L246-I251 HydrophobicContact CG-CD1 3.82Å; L246-I251 HydrophobicContact CG-CG1 4.33Å; L246-I251 WeakPolarHBondContact O-CG1 3.2Å; L246-I251 PolarHBondContact O-N 2.9Å; L246-S332 WeakPolarHBondContact CB-OG 3.04Å |
| 247 | F | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -86.8 | -53.4 | -169.7 | -47.5 | -83.3 | 0 | 0 | 0 | 110.7 | D245 I251 A252 T263 V278 L306 T319 S321 D322 R323 | D245-F247 PolarHBondContact O-N 3.23Å; D245-F247 VanDerWaalsContact O-N 3.12Å; D245-F247 WeakPolarHBondContact OD1-CA 3.29Å; D245-F247 WeakPolarHBondContact OD1-CB 3.47Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.42Å; D245-F247 PolarHBondContact OD1-N 2.89Å; F247-I251 HydrophobicContact CD1-CD1 4.11Å; F247-I251 PolarHBondContact O-N 2.78Å; F247-A252 WeakPolarHBondContact O-CB 3.5Å; F247-A252 PolarHBondContact O-N 2.87Å; F247-T263 HydrophobicContact CZ-CG2 4.46Å; F247-V278 HydrophobicContact CB-CB 4.41Å; F247-V278 HydrophobicContact CB-CG1 4.05Å; F247-V278 HydrophobicContact CB-CG2 4.08Å; F247-L306 HydrophobicContact CB-CD2 4.32Å; F247-L306 HydrophobicContact CD1-CD1 3.7Å; F247-L306 HydrophobicContact CD1-CD2 3.49Å; F247-L306 VanDerWaalsContact CD1-CD2 3.49Å; F247-L306 HydrophobicContact CD1-CG 4.01Å; F247-L306 HydrophobicContact CE1-CD1 3.77Å; F247-L306 HydrophobicContact CE1-CD2 4.21Å; F247-L306 HydrophobicContact CE1-CG 4.27Å; F247-L306 HydrophobicContact CG-CD2 4.3Å; F247-T319 HydrophobicContact CE1-CG2 3.9Å; F247-T319 HydrophobicContact CZ-CG2 4.37Å; F247-S321 WeakPolarHBondContact CZ-O 3.43Å; F247-D322 WeakPolarHBondContact CE2-O 3.33Å; F247-R323 HydrophobicContact CD1-CG 4.5Å; F247-R323 HydrophobicContact CD2-CG 3.35Å; F247-R323 HydrophobicContact CE1-CG 4.42Å; F247-R323 HydrophobicContact CE2-CB 4.3Å; F247-R323 HydrophobicContact CE2-CG 3.3Å; F247-R323 HydrophobicContact CG-CG 3.95Å; F247-R323 HydrophobicContact CZ-CG 3.85Å |
| 248 | V | 91.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -83.4 | -34.1 | -173.2 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | D245 P253 R274 V278 | D245-V248 HydrophobicContact CB-CB 4.4Å; D245-V248 PolarHBondContact OD1-N 3.1Å; V248-P253 WeakPolarHBondContact O-CD 3.39Å; V248-P253 VanDerWaalsContact O-CG 3.22Å; V248-P253 WeakPolarHBondContact O-CG 3.18Å; V248-R274 HydrophobicContact CG1-CG 3.95Å; V248-V278 HydrophobicContact CG2-CB 3.88Å; V248-V278 HydrophobicContact CG2-CG2 3.86Å |
| 249 | D | 92.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -93.5 | -19.3 | -178.3 | -59.8 | -45.4 | 0 | 0 | 0 | 113 | L244 D245 R274 | L244-D249 HydrophobicContact CB-CB 4.06Å; L244-D249 HydrophobicContact CD2-CB 4.13Å; D245-D249 WeakPolarHBondContact CB-OD2 3.37Å; D245-D249 PolarHBondContact N-OD2 2.82Å; D245-D249 VanDerWaalsContact O-CB 3.29Å; D245-D249 WeakPolarHBondContact O-CB 3.49Å; D245-D249 PolarHBondContact O-N 3.28Å; D249-R274 IonicContact OD1-CZ 2.89Å; D249-R274 IonicContact OD1-NH1 3.52Å; D249-R274 PolarHBondContact OD1-NH1 2.98Å; D249-R274 IonicContact OD1-NH2 3.03Å; D249-R274 PolarHBondContact OD1-NH2 2.85Å |
| 250 | V | 94.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -119.7 | -65.6 | -174.3 | -168 | 0 | 0 | 0 | 0 | 112.7 | I215 I236 L244 L246 F254 | I215-V250 HydrophobicContact CD1-CB 4.46Å; I215-V250 HydrophobicContact CD1-CG1 4.04Å; I215-V250 HydrophobicContact CD1-CG2 3.7Å; I215-V250 HydrophobicContact CG1-CG1 4.22Å; I215-V250 HydrophobicContact CG1-CG2 4.08Å; I215-V250 HydrophobicContact CG2-CG1 3.66Å; I236-V250 HydrophobicContact CG2-CG1 3.7Å; L244-V250 HydrophobicContact CB-CG2 4.49Å; L244-V250 HydrophobicContact CD1-CG2 4.35Å; L246-V250 HydrophobicContact CD1-CB 4.46Å; L246-V250 VanDerWaalsContact O-CB 3.3Å; L246-V250 WeakPolarHBondContact O-CB 3.25Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 2.81Å |
| 251 | I | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -65.7 | -53 | -171.6 | -66.1 | 167.7 | 0 | 0 | 0 | 112 | I236 L246 F247 F254 T255 Y259 L306 A334 | I236-I251 HydrophobicContact CD1-CG1 4.08Å; I236-I251 HydrophobicContact CG2-CG1 4.45Å; L246-I251 HydrophobicContact CD1-CD1 4.27Å; L246-I251 HydrophobicContact CD1-CG1 4.35Å; L246-I251 HydrophobicContact CD2-CD1 4.21Å; L246-I251 HydrophobicContact CG-CD1 3.82Å; L246-I251 HydrophobicContact CG-CG1 4.33Å; L246-I251 WeakPolarHBondContact O-CG1 3.2Å; L246-I251 PolarHBondContact O-N 2.9Å; F247-I251 HydrophobicContact CD1-CD1 4.11Å; F247-I251 PolarHBondContact O-N 2.78Å; I251-F254 PolarHBondContact O-N 2.96Å; I251-T255 WeakPolarHBondContact O-CB 3.35Å; I251-T255 PolarHBondContact O-N 3.45Å; I251-T255 PolarHBondContact O-OG1 2.96Å; I251-Y259 HydrophobicContact CG2-CE2 3.98Å; I251-L306 HydrophobicContact CD1-CD1 4.06Å; I251-A334 HydrophobicContact CD1-CB 3.5Å; I251-A334 VanDerWaalsContact CD1-CB 3.5Å; I251-A334 HydrophobicContact CG1-CB 4.37Å |
| 252 | A | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F247 G256 T257 Y259 V278 | F247-A252 WeakPolarHBondContact O-CB 3.5Å; F247-A252 PolarHBondContact O-N 2.87Å; A252-G256 WeakPolarHBondContact O-CA 3.09Å; A252-G256 PolarHBondContact O-N 2.75Å; A252-T257 WeakPolarHBondContact CB-O 3.18Å; A252-T257 PolarHBondContact O-N 3.49Å; A252-Y259 HydrophobicContact CB-CD2 4.12Å; A252-Y259 HydrophobicContact CB-CE2 4.39Å; A252-V278 HydrophobicContact CB-CG2 3.87Å |
| 253 | P | 94 | Very high | 94.1 | Very high | 65 Ų | 65 | 22.3 Ų | 22.3 | 42% | 0.422 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.1 | -23.5 | 35.7 | 0 | 0 | 0 | 113.7 | V248 G256 | V248-P253 WeakPolarHBondContact O-CD 3.39Å; V248-P253 VanDerWaalsContact O-CG 3.22Å; V248-P253 WeakPolarHBondContact O-CG 3.18Å; P253-G256 PolarHBondContact O-N 3.02Å |
| 254 | F | 95.3 | Very high | 94.2 | Very high | 100 Ų | 100 | 23.3 Ų | 23.3 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 179.8 | 172.6 | -98.1 | 0 | 0 | 0 | 112 | V217 I234 I236 V250 I251 | V217-F254 HydrophobicContact CB-CE2 4.16Å; V217-F254 HydrophobicContact CB-CZ 4.3Å; V217-F254 HydrophobicContact CG1-CD1 4.35Å; V217-F254 HydrophobicContact CG1-CD2 4.3Å; V217-F254 HydrophobicContact CG1-CE1 3.68Å; V217-F254 HydrophobicContact CG1-CE2 3.58Å; V217-F254 HydrophobicContact CG1-CZ 3.25Å; V217-F254 HydrophobicContact CG2-CD2 3.99Å; V217-F254 HydrophobicContact CG2-CE2 4.01Å; V217-F254 HydrophobicContact CG2-CG 4.35Å; V217-F254 HydrophobicContact CG2-CZ 4.42Å; I234-F254 HydrophobicContact CD1-CE1 4.08Å; I234-F254 HydrophobicContact CG2-CE1 3.85Å; I234-F254 HydrophobicContact CG2-CZ 4.38Å; I236-F254 HydrophobicContact CD1-CD1 3.9Å; I236-F254 HydrophobicContact CD1-CE1 4.39Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 2.81Å; I251-F254 PolarHBondContact O-N 2.96Å |
| 255 | T | 95.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -85.7 | -14.5 | -178.5 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | I251 Y259 I315 | I251-T255 WeakPolarHBondContact O-CB 3.35Å; I251-T255 PolarHBondContact O-N 3.45Å; I251-T255 PolarHBondContact O-OG1 2.96Å; T255-Y259 VanDerWaalsContact CB-OH 3.3Å; T255-Y259 WeakPolarHBondContact CB-OH 3.34Å; T255-Y259 WeakPolarHBondContact CG2-OH 3.28Å; T255-Y259 VanDerWaalsContact OG1-CE2 3.24Å; T255-Y259 WeakPolarHBondContact OG1-CE2 3.47Å; T255-Y259 PolarHBondContact OG1-OH 3.23Å; T255-I315 HydrophobicContact CG2-CD1 4.03Å |
| 256 | G | 94.9 | Very high | 93.2 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 26% | 0.258 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A252 P253 Y276 | A252-G256 WeakPolarHBondContact O-CA 3.09Å; A252-G256 PolarHBondContact O-N 2.75Å; P253-G256 PolarHBondContact O-N 3.02Å; G256-Y276 VanDerWaalsContact C-CD1 3.48Å; G256-Y276 WeakPolarHBondContact O-CE1 3.2Å |
| 257 | T | 95.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -149.8 | 157.1 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | A252 Y259 N310 R313 | A252-T257 WeakPolarHBondContact CB-O 3.18Å; A252-T257 PolarHBondContact O-N 3.49Å; T257-Y259 HydrophobicContact CG2-CD2 4.2Å; T257-Y259 HydrophobicContact CG2-CE1 4.42Å; T257-Y259 HydrophobicContact CG2-CE2 3.4Å; T257-Y259 VanDerWaalsContact CG2-CE2 3.4Å; T257-Y259 WeakPolarHBondContact CG2-OH 3.39Å; T257-Y259 WeakPolarHBondContact O-CD2 3.4Å; T257-Y259 WeakPolarHBondContact O-CE2 3.26Å; T257-N310 VanDerWaalsContact OG1-CB 3.26Å; T257-N310 WeakPolarHBondContact OG1-CB 3.3Å; T257-R313 HydrophobicContact CG2-CB 4.45Å |
| 258 | T | 94.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 43 Ų | 43 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | trans | -78.7 | 148.9 | 171.6 | -67 | 0 | 0 | 0 | 0 | 110.9 | A277 S308 T309 | T258-A277 CarbonylContact C-O 3.56Å; T258-A277 VanDerWaalsContact CA-O 3.23Å; T258-A277 WeakPolarHBondContact CA-O 3.3Å; T258-A277 HydrophobicContact CG2-CB 4.06Å; T258-A277 WeakPolarHBondContact CG2-O 3.45Å; T258-A277 PolarHBondContact OG1-N 3.43Å; T258-S308 WeakPolarHBondContact O-CA 3.43Å; T258-T309 WeakPolarHBondContact CB-OG1 3.43Å; T258-T309 HydrophobicContact CG2-CG2 4.08Å; T258-T309 WeakPolarHBondContact CG2-OG1 3.49Å; T258-T309 PolarHBondContact O-N 3.48Å; T258-T309 PolarHBondContact O-OG1 3.43Å | ||
| 259 | Y | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.3 | -179.8 | -70.7 | -95.3 | 0 | 0 | 0 | 113.1 | I251 A252 T255 T257 A277 V278 R279 L306 L307 I315 | I251-Y259 HydrophobicContact CG2-CE2 3.98Å; A252-Y259 HydrophobicContact CB-CD2 4.12Å; A252-Y259 HydrophobicContact CB-CE2 4.39Å; T255-Y259 VanDerWaalsContact CB-OH 3.3Å; T255-Y259 WeakPolarHBondContact CB-OH 3.34Å; T255-Y259 WeakPolarHBondContact CG2-OH 3.28Å; T255-Y259 VanDerWaalsContact OG1-CE2 3.24Å; T255-Y259 WeakPolarHBondContact OG1-CE2 3.47Å; T255-Y259 PolarHBondContact OG1-OH 3.23Å; T257-Y259 HydrophobicContact CG2-CD2 4.2Å; T257-Y259 HydrophobicContact CG2-CE1 4.42Å; T257-Y259 HydrophobicContact CG2-CE2 3.4Å; T257-Y259 VanDerWaalsContact CG2-CE2 3.4Å; T257-Y259 WeakPolarHBondContact CG2-OH 3.39Å; T257-Y259 WeakPolarHBondContact O-CD2 3.4Å; T257-Y259 WeakPolarHBondContact O-CE2 3.26Å; Y259-A277 PolarHBondContact N-O 2.83Å; Y259-V278 CarbonylContact O-C 3.58Å; Y259-V278 VanDerWaalsContact O-CA 3.3Å; Y259-V278 WeakPolarHBondContact O-CA 3.08Å; Y259-R279 PolarHBondContact O-N 3.04Å; Y259-L306 HydrophobicContact CD1-CB 3.73Å; Y259-L306 HydrophobicContact CD1-CD2 4.43Å; Y259-L306 HydrophobicContact CE1-CB 4.43Å; Y259-L306 HydrophobicContact CG-CB 4.36Å; Y259-L306 HydrophobicContact CG-CD2 4.27Å; Y259-L307 CarbonylContact C-O 3.59Å; Y259-L307 VanDerWaalsContact CA-O 3.27Å; Y259-L307 WeakPolarHBondContact CA-O 3.3Å; Y259-L307 VanDerWaalsContact CD1-C 3.43Å; Y259-I315 HydrophobicContact CE1-CB 4.31Å; Y259-I315 HydrophobicContact CE1-CG2 4.15Å; Y259-I315 WeakPolarHBondContact OH-CG2 3.33Å |
| 260 | D | 95.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.043 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.2 | 158.1 | -66.2 | -17.2 | 0 | 0 | 0 | 108.3 | R279 I281 L306 L307 T309 | D260-R279 CarbonylContact C-O 3.51Å; D260-R279 WeakPolarHBondContact CA-O 3.39Å; D260-R279 WeakPolarHBondContact OD1-CB 3.24Å; D260-R279 IonicContact OD1-CZ 3.23Å; D260-R279 IonicContact OD1-NE 3.32Å; D260-R279 PolarHBondContact OD1-NE 2.79Å; D260-R279 IonicContact OD1-NH2 3.78Å; D260-R279 PolarHBondContact OD1-NH2 3.41Å; D260-R279 IonicContact OD2-CZ 2.87Å; D260-R279 IonicContact OD2-NH2 2.74Å; D260-R279 PolarHBondContact OD2-NH2 2.71Å; D260-I281 HydrophobicContact CB-CD1 3.92Å; D260-I281 HydrophobicContact CB-CG1 3.9Å; D260-L306 CarbonylContact O-C 3.58Å; D260-L306 WeakPolarHBondContact O-CA 3.18Å; D260-L307 PolarHBondContact N-O 2.94Å; D260-L307 PolarHBondContact O-N 2.94Å; D260-T309 HydrophobicContact CB-CG2 4.49Å; D260-T309 WeakPolarHBondContact OD1-CG2 3.27Å |
| 261 | S | 95.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.6 | -175.6 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | R279 N280 I281 R323 | S261-R279 PolarHBondContact N-O 3.05Å; S261-R279 PolarHBondContact OG-O 3.39Å; S261-N280 PolarHBondContact OG-OD1 2.8Å; S261-I281 PolarHBondContact O-N 2.78Å; S261-R323 WeakPolarHBondContact OG-CD 3.04Å; S261-R323 PolarHBondContact OG-NH1 2.8Å |
| 262 | W | 96.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 86.6 | 168.7 | -176 | -115.2 | 0 | 0 | 0 | 108.7 | Y44 I281 L285 L296 R298 D301 S303 R304 W305 | Y44-W262 PolarHBondContact OH-NE1 3.24Å; W262-I281 HydrophobicContact CB-CD1 4.21Å; W262-I281 HydrophobicContact CE3-CB 3.83Å; W262-I281 HydrophobicContact CE3-CG2 3.58Å; W262-I281 HydrophobicContact CZ3-CB 4.44Å; W262-I281 HydrophobicContact CZ3-CG2 3.81Å; W262-L285 HydrophobicContact CB-CD1 4.31Å; W262-L285 HydrophobicContact CD2-CD1 3.22Å; W262-L285 HydrophobicContact CD2-CG 4.43Å; W262-L285 HydrophobicContact CE3-CD1 3.35Å; W262-L285 HydrophobicContact CE3-CG 4.16Å; W262-L285 HydrophobicContact CG-CD1 3.72Å; W262-L285 HydrophobicContact CH2-CD1 3.98Å; W262-L285 HydrophobicContact CH2-CG 4.44Å; W262-L285 HydrophobicContact CZ2-CD1 3.91Å; W262-L285 HydrophobicContact CZ3-CD1 3.72Å; W262-L285 HydrophobicContact CZ3-CG 4.16Å; W262-L296 HydrophobicContact CZ2-CB 4.35Å; W262-R298 VanDerWaalsContact C-NH1 3.34Å; W262-R298 HydrophobicContact CH2-CB 3.75Å; W262-R298 HydrophobicContact CZ2-CB 4.21Å; W262-R298 HydrophobicContact CZ3-CB 4.25Å; W262-R298 VanDerWaalsContact NE1-CZ 3.33Å; W262-R298 PolarHBondContact O-NH1 3.04Å; W262-D301 HydrophobicContact CZ2-CB 4.42Å; W262-D301 PolarHBondContact NE1-OD2 3.41Å; W262-S303 PolarHBondContact NE1-OG 2.75Å; W262-R304 VanDerWaalsContact O-CA 3.3Å; W262-R304 WeakPolarHBondContact O-CA 3.45Å; W262-W305 HydrophobicContact CB-CD2 3.76Å; W262-W305 HydrophobicContact CB-CE3 4.19Å; W262-W305 HydrophobicContact CB-CG 4.29Å; W262-W305 HydrophobicContact CB-CH2 3.92Å; W262-W305 HydrophobicContact CB-CZ2 3.48Å; W262-W305 VanDerWaalsContact CB-CZ2 3.48Å; W262-W305 HydrophobicContact CB-CZ3 4.24Å; W262-W305 AromaticContact CD1-CD1 3.79Å; W262-W305 AromaticContact CD1-CE2 3.73Å; W262-W305 AromaticContact CD1-NE1 3.17Å; W262-W305 AromaticContact CG-CE2 3.76Å; W262-W305 AromaticContact CG-CZ2 3.84Å; W262-W305 HydrophobicContact CG-CZ2 3.84Å; W262-W305 AromaticContact CG-NE1 3.68Å; W262-W305 PolarHBondContact N-O 2.71Å; W262-W305 PolarHBondContact O-N 3.29Å; W262-W305 VanDerWaalsContact O-N 3.16Å |
| 263 | T | 93.8 | Very high | 82.9 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -140.3 | 172.3 | 176.1 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | F247 R304 T319 R323 | F247-T263 HydrophobicContact CZ-CG2 4.46Å; T263-R304 HydrophobicContact CG2-CB 4.05Å; T263-R304 HydrophobicContact CG2-CG 4.46Å; T263-T319 HydrophobicContact CG2-CG2 4.19Å; T263-R323 WeakPolarHBondContact OG1-CG 3.1Å; T263-R323 PolarHBondContact OG1-N 3.11Å |
| 264 | K | 91.1 | Very high | 82.2 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | trans | -65.9 | 137.5 | 159.9 | -59.8 | 173.8 | -174.5 | 169.8 | 0 | 107.5 | D302 D322 R323 | K264-D302 IonicContact NZ-OD1 2.7Å; K264-D322 HydrophobicContact CB-CB 4.06Å; K264-D322 WeakPolarHBondContact CB-OD1 3.11Å; K264-D322 PolarHBondContact N-OD1 2.78Å; K264-R323 PolarHBondContact O-N 3.29Å | ||
| 265 | A | 84.7 | Confident | 81.8 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -143.7 | 148.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N280 R323 | A265-N280 HydrophobicContact CB-CB 4.37Å; A265-N280 VanDerWaalsContact CB-CG 3.47Å; A265-N280 WeakPolarHBondContact CB-ND2 3.46Å; A265-N280 WeakPolarHBondContact CB-OD1 3.34Å; A265-R323 VanDerWaalsContact CA-O 3.29Å; A265-R323 WeakPolarHBondContact CA-O 3.27Å; A265-R323 HydrophobicContact CB-CB 4Å |
| 266 | E | 75.7 | Confident | 81.7 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | trans | -76.4 | 148.1 | 165 | -68.5 | 173.8 | -143.1 | 0 | 0 | 109.5 | R323 T324 E325 | E266-R323 PolarHBondContact N-O 3.26Å; E266-T324 HydrophobicContact CG-CG2 4.45Å; E266-E325 PolarHBondContact OE1-N 2.97Å | ||
| 267 | R | 64.7 | Low | 81.5 | Confident | 209 Ų | 209 | 66 Ų | 66 | 79% | 0.789 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -69.8 | 152 | 175.5 | -71 | -169.8 | -70.9 | -110 | 0.9 | 110.1 | ||
| 268 | N | 62.3 | Low | 81.4 | Confident | 150 Ų | 150 | 65.9 Ų | 65.9 | 80% | 0.802 | 35% | 0.347 | S | S | * | . | trans | 71.7 | 45.7 | 175.8 | -48.1 | -28.6 | 0 | 0 | 0 | 114.8 | N270 | N268-N270 PolarHBondContact O-N 2.97Š| ||
| 269 | V | 60.4 | Low | 81.2 | Confident | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | trans | -71.4 | 116.9 | 172.1 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | C271 | V269-C271 PolarHBondContact O-N 3.38Å; V269-C271 VanDerWaalsContact O-N 3.15Å; V269-C271 PolarHBondContact O-SG 2.9Å; V269-C271 VanDerWaalsContact O-SG 3.41Å | ||
| 270 | N | 60.3 | Low | 81.1 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | trans | -63.7 | 112.7 | -176 | -143.9 | 18.9 | 0 | 0 | 0 | 110.5 | N268 | N268-N270 PolarHBondContact O-N 2.97Š| ||
| 271 | C | 66.6 | Low | 81.1 | Confident | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.142 | 35% | 0.351 | C | S | . | . | trans | -101 | -17.7 | -177.4 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | V269 D273 C358 | V269-C271 PolarHBondContact O-N 3.38Å; V269-C271 VanDerWaalsContact O-N 3.15Å; V269-C271 PolarHBondContact O-SG 2.9Å; V269-C271 VanDerWaalsContact O-SG 3.41Å; C271-D273 VanDerWaalsContact C-N 3.32Å; C271-D273 PolarHBondContact O-N 2.89Å; C271-C358 HydrophobicContact CB-CB 3.12Å; C271-C358 WeakPolarHBondContact CB-SG 3.22Å; C271-C358 VanDerWaalsContact SG-CA 3.52Å; C271-C358 WeakPolarHBondContact SG-CB 3.21Å; C271-C358 CovalentContact SG-SG 2.02Å; C271-C358 PolarHBondContact SG-SG 2.78Å | ||
| 272 | S | 59.8 | Low | 80.9 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.1 | -153.3 | -49.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 273 | D | 69.2 | Low | 80.9 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 78% | 0.775 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 22.4 | -169.3 | -61.2 | -37.6 | 0 | 0 | 0 | 114.6 | C271 | C271-D273 VanDerWaalsContact C-N 3.32Å; C271-D273 PolarHBondContact O-N 2.89Å |
| 274 | R | 79.3 | Confident | 81 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | trans | -119.9 | 141 | -176.3 | -60.5 | -67.4 | -172.1 | 128.2 | 3.9 | 112.2 | V248 D249 Y276 | V248-R274 HydrophobicContact CG1-CG 3.95Å; D249-R274 IonicContact OD1-CZ 2.89Å; D249-R274 IonicContact OD1-NH1 3.52Å; D249-R274 PolarHBondContact OD1-NH1 2.98Å; D249-R274 IonicContact OD1-NH2 3.03Å; D249-R274 PolarHBondContact OD1-NH2 2.85Å; R274-Y276 PolarHBondContact O-N 2.92Å | ||
| 275 | A | 86.9 | Confident | 81.2 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 74% | 0.744 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.9 | -29.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 276 | Y | 91.7 | Very high | 81.8 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 35% | 0.349 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -132.6 | 122.7 | 177.3 | -52.5 | -68.4 | 0 | 0 | 0 | 108.9 | G256 R274 | G256-Y276 VanDerWaalsContact C-CD1 3.48Å; G256-Y276 WeakPolarHBondContact O-CE1 3.2Å; R274-Y276 PolarHBondContact O-N 2.92Å |
| 277 | A | 91.5 | Very high | 82.7 | Confident | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | trans | -92.6 | 159.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T258 Y259 | T258-A277 CarbonylContact C-O 3.56Å; T258-A277 VanDerWaalsContact CA-O 3.23Å; T258-A277 WeakPolarHBondContact CA-O 3.3Å; T258-A277 HydrophobicContact CG2-CB 4.06Å; T258-A277 WeakPolarHBondContact CG2-O 3.45Å; T258-A277 PolarHBondContact OG1-N 3.43Å; Y259-A277 PolarHBondContact N-O 2.83Å | ||
| 278 | V | 92.7 | Very high | 84.1 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113 | 165.8 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | F247 V248 A252 Y259 L306 R323 | F247-V278 HydrophobicContact CB-CB 4.41Å; F247-V278 HydrophobicContact CB-CG1 4.05Å; F247-V278 HydrophobicContact CB-CG2 4.08Å; V248-V278 HydrophobicContact CG2-CB 3.88Å; V248-V278 HydrophobicContact CG2-CG2 3.86Å; A252-V278 HydrophobicContact CB-CG2 3.87Å; Y259-V278 CarbonylContact O-C 3.58Å; Y259-V278 VanDerWaalsContact O-CA 3.3Å; Y259-V278 WeakPolarHBondContact O-CA 3.08Å; V278-L306 HydrophobicContact CG1-CD2 3.94Å; V278-R323 VanDerWaalsContact O-CZ 3.26Å; V278-R323 PolarHBondContact O-NH1 2.84Å; V278-R323 PolarHBondContact O-NH2 3.13Å |
| 279 | R | 92.5 | Very high | 85.5 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 30% | 0.302 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 147.7 | -177.2 | -65.3 | 179.4 | -58.4 | 175.6 | 12.8 | 111.2 | Y259 D260 S261 T309 V355 C358 | Y259-R279 PolarHBondContact O-N 3.04Å; D260-R279 CarbonylContact C-O 3.51Å; D260-R279 WeakPolarHBondContact CA-O 3.39Å; D260-R279 WeakPolarHBondContact OD1-CB 3.24Å; D260-R279 IonicContact OD1-CZ 3.23Å; D260-R279 IonicContact OD1-NE 3.32Å; D260-R279 PolarHBondContact OD1-NE 2.79Å; D260-R279 IonicContact OD1-NH2 3.78Å; D260-R279 PolarHBondContact OD1-NH2 3.41Å; D260-R279 IonicContact OD2-CZ 2.87Å; D260-R279 IonicContact OD2-NH2 2.74Å; D260-R279 PolarHBondContact OD2-NH2 2.71Å; S261-R279 PolarHBondContact N-O 3.05Å; S261-R279 PolarHBondContact OG-O 3.39Å; R279-T309 VanDerWaalsContact NH2-CG2 3.28Å; R279-V355 HydrophobicContact CB-CG1 3.42Å; R279-V355 VanDerWaalsContact CB-CG1 3.42Å; R279-V355 HydrophobicContact CG-CG1 4.18Å; R279-C358 HydrophobicContact CG-CB 4.38Å; R279-C358 WeakPolarHBondContact CG-SG 3.45Å |
| 280 | N | 92.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.3 | 175.4 | -66.2 | -44.2 | 0 | 0 | 0 | 110.4 | S261 A265 M282 R323 V355 D356 | S261-N280 PolarHBondContact OG-OD1 2.8Å; A265-N280 HydrophobicContact CB-CB 4.37Å; A265-N280 VanDerWaalsContact CB-CG 3.47Å; A265-N280 WeakPolarHBondContact CB-ND2 3.46Å; A265-N280 WeakPolarHBondContact CB-OD1 3.34Å; N280-M282 HydrophobicContact CB-SD 3.89Å; N280-M282 PolarHBondContact O-N 2.98Å; N280-R323 PolarHBondContact OD1-NH1 3.16Å; N280-V355 WeakPolarHBondContact O-CA 3.48Å; N280-D356 HydrophobicContact CB-CB 4.35Å; N280-D356 PolarHBondContact O-N 2.71Å |
| 281 | I | 94.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.5 | 164.6 | -61.1 | 163.6 | 0 | 0 | 0 | 107.1 | D260 S261 W262 L285 W305 E350 A353 V355 | D260-I281 HydrophobicContact CB-CD1 3.92Å; D260-I281 HydrophobicContact CB-CG1 3.9Å; S261-I281 PolarHBondContact O-N 2.78Å; W262-I281 HydrophobicContact CB-CD1 4.21Å; W262-I281 HydrophobicContact CE3-CB 3.83Å; W262-I281 HydrophobicContact CE3-CG2 3.58Å; W262-I281 HydrophobicContact CZ3-CB 4.44Å; W262-I281 HydrophobicContact CZ3-CG2 3.81Å; I281-L285 HydrophobicContact CD1-CD2 4.38Å; I281-L285 HydrophobicContact CG2-CD1 4Å; I281-L285 HydrophobicContact CG2-CD2 3.88Å; I281-L285 HydrophobicContact CG2-CG 3.71Å; I281-W305 HydrophobicContact CD1-CH2 3.58Å; I281-W305 HydrophobicContact CD1-CZ2 4.45Å; I281-W305 HydrophobicContact CD1-CZ3 3.9Å; I281-E350 HydrophobicContact CD1-CG 4.06Å; I281-E350 WeakPolarHBondContact CD1-OE1 3.46Å; I281-A353 HydrophobicContact CG2-CB 4.08Å; I281-V355 HydrophobicContact CG1-CG2 4.17Å |
| 282 | M | 92.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -40.2 | -173.2 | -61 | -58.5 | -66.5 | 0 | 0 | 112.3 | N280 Q354 D356 | N280-M282 HydrophobicContact CB-SD 3.89Å; N280-M282 PolarHBondContact O-N 2.98Å; M282-Q354 WeakPolarHBondContact CB-O 3.16Å; M282-Q354 PolarHBondContact N-O 3.3Å; M282-D356 HydrophobicContact CG-CB 4.26Å; M282-D356 HydrophobicContact SD-CB 4.46Å |
| 283 | S | 95.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 179.7 | -179 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | A353 Q354 | S283-A353 CarbonylContact O-C 3.51Å; S283-A353 VanDerWaalsContact O-CA 3.25Å; S283-A353 WeakPolarHBondContact O-CA 3.4Å; S283-Q354 PolarHBondContact O-N 2.95Å |
| 284 | G | 95.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | trans | 84.5 | 8.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T352 | G284-T352 CarbonylContact O-C 3.58Å; G284-T352 PolarHBondContact O-OG1 3.05Å | ||
| 285 | L | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -69.8 | 143.5 | 170.9 | -69.4 | -176.3 | 0 | 0 | 0 | 111.5 | W262 I281 M295 L296 W305 T349 E350 A353 | W262-L285 HydrophobicContact CB-CD1 4.31Å; W262-L285 HydrophobicContact CD2-CD1 3.22Å; W262-L285 HydrophobicContact CD2-CG 4.43Å; W262-L285 HydrophobicContact CE3-CD1 3.35Å; W262-L285 HydrophobicContact CE3-CG 4.16Å; W262-L285 HydrophobicContact CG-CD1 3.72Å; W262-L285 HydrophobicContact CH2-CD1 3.98Å; W262-L285 HydrophobicContact CH2-CG 4.44Å; W262-L285 HydrophobicContact CZ2-CD1 3.91Å; W262-L285 HydrophobicContact CZ3-CD1 3.72Å; W262-L285 HydrophobicContact CZ3-CG 4.16Å; I281-L285 HydrophobicContact CD1-CD2 4.38Å; I281-L285 HydrophobicContact CG2-CD1 4Å; I281-L285 HydrophobicContact CG2-CD2 3.88Å; I281-L285 HydrophobicContact CG2-CG 3.71Å; L285-M295 WeakPolarHBondContact O-CE 3.28Å; L285-L296 HydrophobicContact CB-CB 3.96Å; L285-L296 HydrophobicContact CB-CD1 4.12Å; L285-L296 PolarHBondContact O-N 3.24Å; L285-W305 HydrophobicContact CD1-CH2 4.25Å; L285-W305 HydrophobicContact CD1-CZ2 3.7Å; L285-T349 WeakPolarHBondContact CA-O 3.06Å; L285-T349 HydrophobicContact CB-CG2 4.12Å; L285-T349 HydrophobicContact CD2-CG2 3.97Å; L285-T349 WeakPolarHBondContact CD2-O 3.47Å; L285-T349 HydrophobicContact CG-CG2 4.47Å; L285-E350 HydrophobicContact CD2-CB 4.29Å; L285-E350 HydrophobicContact CD2-CG 3.55Å; L285-A353 HydrophobicContact CD2-CB 3.97Å | ||
| 286 | H | 96.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 144.9 | 176 | 62.9 | -82.2 | 0 | 0 | 0 | 111.7 | T288 T294 M295 T349 T352 | H286-T288 PolarHBondContact CD2-OG1 3.16Å; H286-T294 CarbonylContact C-O 3.48Å; H286-T294 VanDerWaalsContact CA-O 3.23Å; H286-T294 WeakPolarHBondContact CA-O 3.25Å; H286-M295 HydrophobicContact CB-CE 4.37Å; H286-M295 HydrophobicContact CB-SD 3.73Å; H286-T349 PolarHBondContact N-O 2.94Å; H286-T349 VanDerWaalsContact O-CA 3.23Å; H286-T349 WeakPolarHBondContact O-CA 3.15Å; H286-T349 VanDerWaalsContact O-CG2 3.25Å; H286-T349 WeakPolarHBondContact O-CG2 3.43Å; H286-T352 PolarHBondContact CE1-OG1 3.11Å; H286-T352 PolarHBondContact ND1-OG1 3.02Å |
| 287 | L | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.5 | 170 | -59.1 | -176.9 | 0 | 0 | 0 | 109.4 | Y44 M46 F66 W77 T294 L296 T349 | Y44-L287 HydrophobicContact CD1-CD1 4.34Å; Y44-L287 HydrophobicContact CD2-CD1 4.34Å; Y44-L287 HydrophobicContact CG-CD1 3.95Å; M46-L287 HydrophobicContact SD-CD1 3.75Å; F66-L287 HydrophobicContact CB-CD1 3.78Å; F66-L287 HydrophobicContact CD1-CB 4.25Å; F66-L287 HydrophobicContact CD2-CB 4.28Å; F66-L287 HydrophobicContact CD2-CD1 3.64Å; F66-L287 HydrophobicContact CE1-CB 4.3Å; F66-L287 HydrophobicContact CE2-CB 4.33Å; F66-L287 HydrophobicContact CE2-CD1 4.35Å; F66-L287 HydrophobicContact CG-CB 4.24Å; F66-L287 HydrophobicContact CG-CD1 3.75Å; F66-L287 HydrophobicContact CZ-CB 4.34Å; W77-L287 HydrophobicContact CD2-CD2 3.94Å; W77-L287 HydrophobicContact CG-CD2 4.13Å; W77-L287 HydrophobicContact CZ2-CD2 3.93Å; L287-T294 PolarHBondContact N-O 2.85Å; L287-T294 PolarHBondContact O-N 2.47Å; L287-L296 HydrophobicContact CD2-CD1 4.23Å; L287-L296 HydrophobicContact CG-CD1 4.03Å; L287-T349 HydrophobicContact CD2-CG2 3.8Å; L287-T349 WeakPolarHBondContact CD2-OG1 3.45Å |
| 288 | T | 92.7 | Very high | 93 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | H286 D292 M293 | H286-T288 PolarHBondContact CD2-OG1 3.16Å; T288-D292 WeakPolarHBondContact CA-O 3.39Å; T288-M293 HydrophobicContact CG2-CG 4.37Å |
| 289 | H | 92.2 | Very high | 93 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 120.7 | 169.8 | -175.7 | 73.4 | 0 | 0 | 0 | 110.2 | F66 W77 T78 K79 G291 D292 | F66-H289 HydrophobicContact CD1-CB 4.28Å; F66-H289 HydrophobicContact CE1-CB 3.79Å; W77-H289 PolarHBondContact O-ND1 3.07Å; T78-H289 WeakPolarHBondContact CA-ND1 3.41Å; K79-H289 HydrophobicContact CB-CB 4Å; H289-G291 PolarHBondContact O-N 2.67Å; H289-D292 PolarHBondContact N-O 3.41Å; H289-D292 VanDerWaalsContact N-O 3.07Å; H289-D292 PolarHBondContact O-N 2.98Å |
| 290 | G | 88.2 | Confident | 93.2 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 74% | 0.742 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -127.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 291 | G | 86.2 | Confident | 93.3 | Very high | 77 Ų | 77 | 52 Ų | 52 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H289 | H289-G291 PolarHBondContact O-N 2.67Š|
| 292 | D | 87.9 | Confident | 93.4 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.6 | -172.9 | -61.7 | -27.5 | 0 | 0 | 0 | 111 | T288 H289 | T288-D292 WeakPolarHBondContact CA-O 3.39Å; H289-D292 PolarHBondContact N-O 3.41Å; H289-D292 VanDerWaalsContact N-O 3.07Å; H289-D292 PolarHBondContact O-N 2.98Å |
| 293 | M | 90.1 | Very high | 93.6 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 61% | 0.606 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.5 | 171.4 | -69.6 | -177.4 | -71 | 0 | 0 | 109.8 | T288 | T288-M293 HydrophobicContact CG2-CG 4.37Å |
| 294 | T | 92.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.7 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | M46 F53 H286 L287 | M46-T294 HydrophobicContact CE-CG2 3.55Å; F53-T294 HydrophobicContact CE2-CG2 4.22Å; F53-T294 HydrophobicContact CZ-CG2 4.45Å; H286-T294 CarbonylContact C-O 3.48Å; H286-T294 VanDerWaalsContact CA-O 3.23Å; H286-T294 WeakPolarHBondContact CA-O 3.25Å; L287-T294 PolarHBondContact N-O 2.85Å; L287-T294 PolarHBondContact O-N 2.47Å |
| 295 | M | 94.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 46 Ų | 46 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145 | -177 | -61.5 | -55.1 | -59.9 | 0 | 0 | 112.3 | L285 H286 Y297 | L285-M295 WeakPolarHBondContact O-CE 3.28Å; H286-M295 HydrophobicContact CB-CE 4.37Å; H286-M295 HydrophobicContact CB-SD 3.73Å; M295-Y297 HydrophobicContact CB-CD2 4.45Å; M295-Y297 HydrophobicContact CB-CE1 4.37Å; M295-Y297 HydrophobicContact CB-CE2 3.65Å |
| 296 | L | 95.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -109.5 | 132.7 | 170.3 | -67.6 | 167.6 | 0 | 0 | 0 | 109.1 | Y44 M46 W262 L285 L287 T349 | Y44-L296 HydrophobicContact CD1-CD2 4.15Å; Y44-L296 HydrophobicContact CE1-CD1 4.11Å; Y44-L296 HydrophobicContact CE1-CD2 3.49Å; Y44-L296 VanDerWaalsContact CE1-CD2 3.49Å; Y44-L296 HydrophobicContact CE1-CG 4.46Å; Y44-L296 HydrophobicContact CE2-CD1 4.13Å; M46-L296 HydrophobicContact CE-CD2 3.43Å; M46-L296 VanDerWaalsContact CE-CD2 3.43Å; M46-L296 HydrophobicContact CE-CG 4.29Å; M46-L296 HydrophobicContact SD-CD2 3.96Å; W262-L296 HydrophobicContact CZ2-CB 4.35Å; L285-L296 HydrophobicContact CB-CB 3.96Å; L285-L296 HydrophobicContact CB-CD1 4.12Å; L285-L296 PolarHBondContact O-N 3.24Å; L287-L296 HydrophobicContact CD2-CD1 4.23Å; L287-L296 HydrophobicContact CG-CD1 4.03Å; L296-T349 HydrophobicContact CD1-CG2 4.2Å | ||
| 297 | Y | 95.3 | Very high | 93.9 | Very high | 136 Ų | 136 | 45.5 Ų | 45.5 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | trans | -121.1 | 131.1 | -179.5 | -57.3 | -82.4 | 0 | 0 | 0 | 110.1 | M295 D299 T300 D301 | M295-Y297 HydrophobicContact CB-CD2 4.45Å; M295-Y297 HydrophobicContact CB-CE1 4.37Å; M295-Y297 HydrophobicContact CB-CE2 3.65Å; Y297-D299 VanDerWaalsContact C-N 3.27Å; Y297-D299 VanDerWaalsContact CB-OD1 3.28Å; Y297-D299 WeakPolarHBondContact CB-OD1 2.79Å; Y297-D299 PolarHBondContact O-N 3.15Å; Y297-T300 PolarHBondContact O-N 3.11Å; Y297-T300 VanDerWaalsContact O-N 3.15Å; Y297-T300 PolarHBondContact O-OG1 3.35Å; Y297-D301 WeakPolarHBondContact O-CB 3.29Å; Y297-D301 PolarHBondContact O-N 2.65Å | ||
| 298 | R | 93.7 | Very high | 94 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -61.5 | -34.4 | -170.5 | 179.5 | 66.8 | -69.3 | 159.7 | 3.8 | 113.6 | W262 T300 D301 S303 | W262-R298 VanDerWaalsContact C-NH1 3.34Å; W262-R298 HydrophobicContact CH2-CB 3.75Å; W262-R298 HydrophobicContact CZ2-CB 4.21Å; W262-R298 HydrophobicContact CZ3-CB 4.25Å; W262-R298 VanDerWaalsContact NE1-CZ 3.33Å; W262-R298 PolarHBondContact O-NH1 3.04Å; R298-T300 VanDerWaalsContact C-N 3.32Å; R298-D301 VanDerWaalsContact NH2-C 3.26Å; R298-D301 VanDerWaalsContact NH2-CB 3.32Å; R298-D301 PolarHBondContact NH2-O 2.9Å; R298-D301 IonicContact NH2-OD1 2.79Å; R298-D301 PolarHBondContact NH2-OD1 3.12Å; R298-D301 IonicContact NH2-OD2 2.81Å; R298-S303 PolarHBondContact NH1-O 2.94Å; R298-S303 PolarHBondContact NH2-O 3.44Å |
| 299 | D | 93.4 | Very high | 94.1 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 68% | 0.684 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -73.7 | -21.2 | -178.8 | 62.7 | -27.3 | 0 | 0 | 0 | 113.7 | Y297 | Y297-D299 VanDerWaalsContact C-N 3.27Å; Y297-D299 VanDerWaalsContact CB-OD1 3.28Å; Y297-D299 WeakPolarHBondContact CB-OD1 2.79Å; Y297-D299 PolarHBondContact O-N 3.15Å |
| 300 | T | 95.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -111.6 | 15.2 | 178.3 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | K158 A159 Y297 R298 | K158-T300 CarbonylContact C-O 3.54Å; K158-T300 VanDerWaalsContact CA-O 3.27Å; K158-T300 WeakPolarHBondContact CA-O 3.45Å; K158-T300 VanDerWaalsContact CB-O 3.31Å; K158-T300 WeakPolarHBondContact CB-O 3.2Å; A159-T300 PolarHBondContact N-O 3.38Å; Y297-T300 PolarHBondContact O-N 3.11Å; Y297-T300 VanDerWaalsContact O-N 3.15Å; Y297-T300 PolarHBondContact O-OG1 3.35Å; R298-T300 VanDerWaalsContact C-N 3.32Å |
| 301 | D | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -129.4 | 122.2 | -176.3 | -172.6 | -15.2 | 0 | 0 | 0 | 109.4 | Y44 A159 W262 Y297 R298 S303 | Y44-D301 PolarHBondContact OH-OD2 2.85Å; A159-D301 HydrophobicContact CB-CB 3.95Å; W262-D301 HydrophobicContact CZ2-CB 4.42Å; W262-D301 PolarHBondContact NE1-OD2 3.41Å; Y297-D301 WeakPolarHBondContact O-CB 3.29Å; Y297-D301 PolarHBondContact O-N 2.65Å; R298-D301 VanDerWaalsContact NH2-C 3.26Å; R298-D301 VanDerWaalsContact NH2-CB 3.32Å; R298-D301 PolarHBondContact NH2-O 2.9Å; R298-D301 IonicContact NH2-OD1 2.79Å; R298-D301 PolarHBondContact NH2-OD1 3.12Å; R298-D301 IonicContact NH2-OD2 2.81Å; D301-S303 VanDerWaalsContact CG-OG 3.24Å; D301-S303 WeakPolarHBondContact OD1-CA 3.19Å; D301-S303 WeakPolarHBondContact OD1-CB 3.43Å; D301-S303 PolarHBondContact OD1-N 2.77Å; D301-S303 PolarHBondContact OD1-OG 3.15Å; D301-S303 PolarHBondContact OD2-OG 2.82Å |
| 302 | D | 95.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.102 | 26% | 0.255 | C | S | . | . | trans | -97.1 | -1.8 | 177.2 | -76.3 | -42.5 | 0 | 0 | 0 | 113 | K158 A159 Q160 K264 R304 | K158-D302 VanDerWaalsContact CD-OD2 3.26Å; K158-D302 WeakPolarHBondContact CD-OD2 3.47Å; A159-D302 PolarHBondContact O-N 3.49Å; Q160-D302 PolarHBondContact NE2-OD2 3.39Å; K264-D302 IonicContact NZ-OD1 2.7Å; D302-R304 PolarHBondContact O-NH1 2.88Å | ||
| 303 | S | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -66.9 | 147.1 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | Y44 D138 L161 W262 R298 D301 | Y44-S303 PolarHBondContact OH-OG 2.79Å; D138-S303 WeakPolarHBondContact OD2-CA 3.25Å; D138-S303 PolarHBondContact OD2-N 2.89Å; L161-S303 VanDerWaalsContact CB-CB 3.41Å; W262-S303 PolarHBondContact NE1-OG 2.75Å; R298-S303 PolarHBondContact NH1-O 2.94Å; R298-S303 PolarHBondContact NH2-O 3.44Å; D301-S303 VanDerWaalsContact CG-OG 3.24Å; D301-S303 WeakPolarHBondContact OD1-CA 3.19Å; D301-S303 WeakPolarHBondContact OD1-CB 3.43Å; D301-S303 PolarHBondContact OD1-N 2.77Å; D301-S303 PolarHBondContact OD1-OG 3.15Å; D301-S303 PolarHBondContact OD2-OG 2.82Å | ||
| 304 | R | 97.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | trans | -137.7 | 118.4 | -179.1 | -57.4 | 175.4 | -171.8 | 75.6 | 8.8 | 110 | W262 T263 D302 T319 S321 D322 | W262-R304 VanDerWaalsContact O-CA 3.3Å; W262-R304 WeakPolarHBondContact O-CA 3.45Å; T263-R304 HydrophobicContact CG2-CB 4.05Å; T263-R304 HydrophobicContact CG2-CG 4.46Å; D302-R304 PolarHBondContact O-NH1 2.88Å; R304-T319 HydrophobicContact CB-CG2 3.71Å; R304-T319 WeakPolarHBondContact CB-O 3.27Å; R304-T319 WeakPolarHBondContact O-CG2 3.34Å; R304-T319 PolarHBondContact O-N 3.35Å; R304-T319 VanDerWaalsContact O-N 3.13Å; R304-S321 WeakPolarHBondContact CD-O 3.38Å; R304-D322 WeakPolarHBondContact CD-OD1 3.49Å; R304-D322 IonicContact CZ-OD2 3.7Å; R304-D322 IonicContact NE-OD1 3.95Å; R304-D322 PolarHBondContact NE-OD1 3.19Å; R304-D322 IonicContact NE-OD2 2.75Å; R304-D322 PolarHBondContact NE-OD2 2.98Å; R304-D322 IonicContact NH2-OD2 2.77Å; R304-D322 PolarHBondContact NH2-OD2 2.69Å | ||
| 305 | W | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.6 | -179.6 | 56.1 | -96.1 | 0 | 0 | 0 | 112.6 | Y44 L161 W262 I281 L285 L307 W316 C317 F346 E350 | Y44-W305 AromaticContact CE2-NE1 3.88Å; L161-W305 HydrophobicContact CD2-CB 4.19Å; L161-W305 HydrophobicContact CD2-CG 4.42Å; W262-W305 HydrophobicContact CB-CD2 3.76Å; W262-W305 HydrophobicContact CB-CE3 4.19Å; W262-W305 HydrophobicContact CB-CG 4.29Å; W262-W305 HydrophobicContact CB-CH2 3.92Å; W262-W305 HydrophobicContact CB-CZ2 3.48Å; W262-W305 VanDerWaalsContact CB-CZ2 3.48Å; W262-W305 HydrophobicContact CB-CZ3 4.24Å; W262-W305 AromaticContact CD1-CD1 3.79Å; W262-W305 AromaticContact CD1-CE2 3.73Å; W262-W305 AromaticContact CD1-NE1 3.17Å; W262-W305 AromaticContact CG-CE2 3.76Å; W262-W305 AromaticContact CG-CZ2 3.84Å; W262-W305 HydrophobicContact CG-CZ2 3.84Å; W262-W305 AromaticContact CG-NE1 3.68Å; W262-W305 PolarHBondContact N-O 2.71Å; W262-W305 PolarHBondContact O-N 3.29Å; W262-W305 VanDerWaalsContact O-N 3.16Å; I281-W305 HydrophobicContact CD1-CH2 3.58Å; I281-W305 HydrophobicContact CD1-CZ2 4.45Å; I281-W305 HydrophobicContact CD1-CZ3 3.9Å; L285-W305 HydrophobicContact CD1-CH2 4.25Å; L285-W305 HydrophobicContact CD1-CZ2 3.7Å; W305-L307 HydrophobicContact CE3-CB 4.24Å; W305-L307 HydrophobicContact CZ3-CB 3.74Å; W305-W316 HydrophobicContact CB-CZ2 3.81Å; W305-W316 AromaticContact CD2-NE1 3.92Å; W305-W316 AromaticContact CE3-NE1 3.91Å; W305-W316 HydrophobicContact CG-CZ2 4.37Å; W305-W316 AromaticContact CG-NE1 3.89Å; W305-C317 CarbonylContact C-O 3.54Å; W305-C317 WeakPolarHBondContact CA-O 3.33Å; W305-C317 WeakPolarHBondContact CB-O 3.49Å; W305-F346 HydrophobicContact CD2-CD1 4.02Å; W305-F346 AromaticContact CD2-CE1 3.8Å; W305-F346 HydrophobicContact CD2-CE1 3.8Å; W305-F346 AromaticContact CE2-CD1 3.93Å; W305-F346 AromaticContact CE2-CE1 3.67Å; W305-F346 HydrophobicContact CE3-CD1 4.02Å; W305-F346 HydrophobicContact CE3-CE1 4.25Å; W305-F346 HydrophobicContact CG-CE1 4.19Å; W305-F346 AromaticContact CH2-CD1 3.92Å; W305-F346 HydrophobicContact CH2-CD1 3.92Å; W305-F346 HydrophobicContact CH2-CE1 4.49Å; W305-F346 AromaticContact CZ2-CD1 3.87Å; W305-F346 HydrophobicContact CZ2-CD1 3.87Å; W305-F346 HydrophobicContact CZ2-CE1 4.02Å; W305-F346 AromaticContact CZ3-CD1 4Å; W305-F346 HydrophobicContact CZ3-CD1 4Å; W305-F346 AromaticContact NE1-CE1 3.94Å; W305-E350 HydrophobicContact CH2-CG 4.31Å; W305-E350 WeakPolarHBondContact CH2-OE1 3.41Å; W305-E350 WeakPolarHBondContact CZ3-OE1 3.41Å |
| 306 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.1 | 172.1 | -57 | 108 | 0 | 0 | 0 | 111.4 | F247 I251 Y259 D260 V278 W316 C317 T319 | F247-L306 HydrophobicContact CB-CD2 4.32Å; F247-L306 HydrophobicContact CD1-CD1 3.7Å; F247-L306 HydrophobicContact CD1-CD2 3.49Å; F247-L306 VanDerWaalsContact CD1-CD2 3.49Å; F247-L306 HydrophobicContact CD1-CG 4.01Å; F247-L306 HydrophobicContact CE1-CD1 3.77Å; F247-L306 HydrophobicContact CE1-CD2 4.21Å; F247-L306 HydrophobicContact CE1-CG 4.27Å; F247-L306 HydrophobicContact CG-CD2 4.3Å; I251-L306 HydrophobicContact CD1-CD1 4.06Å; Y259-L306 HydrophobicContact CD1-CB 3.73Å; Y259-L306 HydrophobicContact CD1-CD2 4.43Å; Y259-L306 HydrophobicContact CE1-CB 4.43Å; Y259-L306 HydrophobicContact CG-CB 4.36Å; Y259-L306 HydrophobicContact CG-CD2 4.27Å; D260-L306 CarbonylContact O-C 3.58Å; D260-L306 WeakPolarHBondContact O-CA 3.18Å; V278-L306 HydrophobicContact CG1-CD2 3.94Å; L306-W316 CarbonylContact O-C 3.51Å; L306-W316 WeakPolarHBondContact O-CA 3.43Å; L306-C317 HydrophobicContact CB-CB 4.26Å; L306-C317 HydrophobicContact CD1-CB 3.86Å; L306-C317 PolarHBondContact N-O 3.25Å; L306-C317 PolarHBondContact O-N 3.29Å; L306-T319 HydrophobicContact CD1-CG2 4.03Å |
| 307 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.1 | 173 | -173.4 | 71.2 | 0 | 0 | 0 | 109.6 | Y259 D260 W305 W316 H343 F346 L347 E350 | Y259-L307 CarbonylContact C-O 3.59Å; Y259-L307 VanDerWaalsContact CA-O 3.27Å; Y259-L307 WeakPolarHBondContact CA-O 3.3Å; Y259-L307 VanDerWaalsContact CD1-C 3.43Å; D260-L307 PolarHBondContact N-O 2.94Å; D260-L307 PolarHBondContact O-N 2.94Å; W305-L307 HydrophobicContact CE3-CB 4.24Å; W305-L307 HydrophobicContact CZ3-CB 3.74Å; L307-W316 HydrophobicContact CD1-CB 4.34Å; L307-H343 HydrophobicContact CD1-CB 4.46Å; L307-H343 WeakPolarHBondContact CD1-CD2 3.46Å; L307-F346 HydrophobicContact CD1-CB 3.66Å; L307-F346 HydrophobicContact CD2-CB 3.85Å; L307-F346 HydrophobicContact CG-CB 4.33Å; L307-L347 HydrophobicContact CD2-CB 4.47Å; L307-L347 HydrophobicContact CD2-CD2 3.65Å; L307-L347 HydrophobicContact CD2-CG 3.94Å; L307-E350 WeakPolarHBondContact CB-OE1 3.37Å; L307-E350 VanDerWaalsContact CD2-CD 3.5Å; L307-E350 WeakPolarHBondContact CD2-OE1 3.48Å |
| 308 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.5 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | T258 R313 I315 H343 | T258-S308 WeakPolarHBondContact O-CA 3.43Å; S308-R313 WeakPolarHBondContact CB-O 3.24Å; S308-R313 PolarHBondContact OG-O 2.79Å; S308-I315 PolarHBondContact N-O 2.7Å; S308-I315 PolarHBondContact OG-N 2.81Å; S308-I315 PolarHBondContact OG-O 2.83Å; S308-H343 PolarHBondContact O-CE1 2.99Å; S308-H343 PolarHBondContact O-NE2 2.79Å; S308-H343 PolarHBondContact OG-CD2 2.96Å; S308-H343 PolarHBondContact OG-NE2 3.12Å |
| 309 | T | 94.8 | Very high | 96.4 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -82.8 | -21.9 | 178.2 | 61.5 | 0 | 0 | 0 | 0 | 112 | T258 D260 R279 K311 | T258-T309 WeakPolarHBondContact CB-OG1 3.43Å; T258-T309 HydrophobicContact CG2-CG2 4.08Å; T258-T309 WeakPolarHBondContact CG2-OG1 3.49Å; T258-T309 PolarHBondContact O-N 3.48Å; T258-T309 PolarHBondContact O-OG1 3.43Å; D260-T309 HydrophobicContact CB-CG2 4.49Å; D260-T309 WeakPolarHBondContact OD1-CG2 3.27Å; R279-T309 VanDerWaalsContact NH2-CG2 3.28Å; T309-K311 PolarHBondContact O-N 2.92Å |
| 310 | N | 93.2 | Very high | 96.5 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | trans | -80.4 | 112.8 | 176.4 | -173.6 | -5.9 | 0 | 0 | 0 | 111 | T257 D312 R313 | T257-N310 VanDerWaalsContact OG1-CB 3.26Å; T257-N310 WeakPolarHBondContact OG1-CB 3.3Å; N310-D312 PolarHBondContact O-N 3.06Å; N310-D312 WeakPolarHBondContact OD1-CB 3.33Å; N310-D312 PolarHBondContact OD1-N 2.54Å; N310-R313 HydrophobicContact CB-CB 4.34Å; N310-R313 CarbonylContact O-C 3.56Å; N310-R313 VanDerWaalsContact O-C 3.27Å; N310-R313 PolarHBondContact O-N 3.04Å; N310-R313 VanDerWaalsContact O-O 3.09Å | ||
| 311 | K | 92.5 | Very high | 96.4 | Very high | 154 Ų | 154 | 28.1 Ų | 28.1 | 67% | 0.67 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.6 | 178.9 | -62.9 | 179.3 | -176.7 | 174 | 0 | 113.6 | T309 R313 L347 | T309-K311 PolarHBondContact O-N 2.92Å; K311-R313 PolarHBondContact O-N 2.79Å; K311-L347 HydrophobicContact CG-CD1 4.2Å |
| 312 | D | 94.2 | Very high | 96.2 | Very high | 139 Ų | 139 | 28.5 Ų | 28.5 | 74% | 0.743 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.5 | 175.5 | -59.5 | -35.6 | 0 | 0 | 0 | 112.3 | N310 | N310-D312 PolarHBondContact O-N 3.06Å; N310-D312 WeakPolarHBondContact OD1-CB 3.33Å; N310-D312 PolarHBondContact OD1-N 2.54Å |
| 313 | R | 95 | Very high | 95.9 | Very high | 124 Ų | 124 | 28 Ų | 28 | 47% | 0.468 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -126.7 | 70.6 | 174.1 | -68.1 | -62.9 | -147.6 | -155.8 | 1.9 | 109.2 | T257 S308 N310 K311 I315 | T257-R313 HydrophobicContact CG2-CB 4.45Å; S308-R313 WeakPolarHBondContact CB-O 3.24Å; S308-R313 PolarHBondContact OG-O 2.79Å; N310-R313 HydrophobicContact CB-CB 4.34Å; N310-R313 CarbonylContact O-C 3.56Å; N310-R313 VanDerWaalsContact O-C 3.27Å; N310-R313 PolarHBondContact O-N 3.04Å; N310-R313 VanDerWaalsContact O-O 3.09Å; K311-R313 PolarHBondContact O-N 2.79Å; R313-I315 VanDerWaalsContact C-N 3.26Å; R313-I315 HydrophobicContact CB-CD1 4.5Å; R313-I315 PolarHBondContact O-N 2.79Å |
| 314 | P | 97.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | trans | -76.1 | 72.4 | -168.6 | 32.7 | -37.2 | 0 | 0 | 0 | 112.3 | E338 N339 H343 | P314-E338 HydrophobicContact CG-CG 4.12Å; P314-E338 CarbonylContact O-C 3.56Å; P314-E338 WeakPolarHBondContact O-CA 3.42Å; P314-N339 PolarHBondContact O-N 2.9Å; P314-H343 VanDerWaalsContact C-CD2 3.5Å; P314-H343 VanDerWaalsContact CA-CD2 3.45Å; P314-H343 WeakPolarHBondContact CA-CD2 3.33Å; P314-H343 HydrophobicContact CB-CB 3.59Å | ||
| 315 | I | 98.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.4 | -174.4 | -58.7 | 170.7 | 0 | 0 | 0 | 109 | T255 Y259 S308 R313 C336 I337 E338 | T255-I315 HydrophobicContact CG2-CD1 4.03Å; Y259-I315 HydrophobicContact CE1-CB 4.31Å; Y259-I315 HydrophobicContact CE1-CG2 4.15Å; Y259-I315 WeakPolarHBondContact OH-CG2 3.33Å; S308-I315 PolarHBondContact N-O 2.7Å; S308-I315 PolarHBondContact OG-N 2.81Å; S308-I315 PolarHBondContact OG-O 2.83Å; R313-I315 VanDerWaalsContact C-N 3.26Å; R313-I315 HydrophobicContact CB-CD1 4.5Å; R313-I315 PolarHBondContact O-N 2.79Å; I315-C336 HydrophobicContact CG2-CB 3.93Å; I315-I337 WeakPolarHBondContact CA-O 3.49Å; I315-E338 HydrophobicContact CG1-CB 4.24Å; I315-E338 HydrophobicContact CG1-CG 4.12Å |
| 316 | W | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.9 | 168 | 176.3 | 88.3 | 0 | 0 | 0 | 109.4 | L42 L161 F163 W305 L306 L307 C336 I337 L342 F346 | L42-W316 HydrophobicContact CD1-CD2 4.48Å; L42-W316 HydrophobicContact CD1-CE3 4.41Å; L42-W316 HydrophobicContact CD1-CH2 3.31Å; L42-W316 HydrophobicContact CD1-CZ2 3.38Å; L42-W316 HydrophobicContact CD1-CZ3 3.87Å; L42-W316 HydrophobicContact CG-CH2 4.31Å; L161-W316 HydrophobicContact CD1-CZ2 4.48Å; L161-W316 HydrophobicContact CD2-CH2 4.14Å; L161-W316 HydrophobicContact CD2-CZ2 3.85Å; F163-W316 HydrophobicContact CB-CH2 4.4Å; F163-W316 HydrophobicContact CD1-CZ3 4.01Å; F163-W316 HydrophobicContact CD2-CZ3 4.1Å; F163-W316 HydrophobicContact CE1-CZ3 4.16Å; F163-W316 HydrophobicContact CE2-CZ3 4.25Å; F163-W316 HydrophobicContact CG-CH2 4.28Å; F163-W316 AromaticContact CG-CZ3 3.99Å; F163-W316 HydrophobicContact CG-CZ3 3.99Å; F163-W316 HydrophobicContact CZ-CZ3 4.28Å; W305-W316 HydrophobicContact CB-CZ2 3.81Å; W305-W316 AromaticContact CD2-NE1 3.92Å; W305-W316 AromaticContact CE3-NE1 3.91Å; W305-W316 HydrophobicContact CG-CZ2 4.37Å; W305-W316 AromaticContact CG-NE1 3.89Å; L306-W316 CarbonylContact O-C 3.51Å; L306-W316 WeakPolarHBondContact O-CA 3.43Å; L307-W316 HydrophobicContact CD1-CB 4.34Å; W316-C336 CarbonylContact O-C 3.5Å; W316-C336 VanDerWaalsContact O-CA 3.25Å; W316-C336 WeakPolarHBondContact O-CA 3.07Å; W316-I337 HydrophobicContact CB-CG2 4.46Å; W316-I337 HydrophobicContact CE3-CG2 3.96Å; W316-I337 PolarHBondContact N-O 2.84Å; W316-I337 PolarHBondContact O-N 3.05Å; W316-L342 HydrophobicContact CB-CD2 3.27Å; W316-L342 HydrophobicContact CD2-CD2 3.76Å; W316-L342 HydrophobicContact CE3-CD1 4.31Å; W316-L342 HydrophobicContact CE3-CD2 4.2Å; W316-L342 HydrophobicContact CG-CD2 3.35Å; W316-F346 AromaticContact CD1-CD1 3.81Å; W316-F346 AromaticContact CD1-CD2 3.81Å; W316-F346 AromaticContact CD1-CE1 4Å; W316-F346 AromaticContact CD1-CE2 3.99Å; W316-F346 AromaticContact CD1-CG 3.71Å; W316-F346 AromaticContact CE2-CE2 3.92Å; W316-F346 AromaticContact CE2-CZ 3.64Å; W316-F346 HydrophobicContact CG-CD2 4.47Å; W316-F346 HydrophobicContact CZ2-CE1 4.39Å; W316-F346 HydrophobicContact CZ2-CE2 4.4Å; W316-F346 AromaticContact CZ2-CZ 3.86Å; W316-F346 HydrophobicContact CZ2-CZ 3.86Å; W316-F346 AromaticContact NE1-CD1 3.47Å; W316-F346 AromaticContact NE1-CD2 3.82Å; W316-F346 AromaticContact NE1-CE1 3.19Å; W316-F346 AromaticContact NE1-CE2 3.55Å; W316-F346 AromaticContact NE1-CG 3.77Å; W316-F346 AromaticContact NE1-CZ 3.23Å |
| 317 | C | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.5 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | W305 L306 A334 V335 C336 | W305-C317 CarbonylContact C-O 3.54Å; W305-C317 WeakPolarHBondContact CA-O 3.33Å; W305-C317 WeakPolarHBondContact CB-O 3.49Å; L306-C317 HydrophobicContact CB-CB 4.26Å; L306-C317 HydrophobicContact CD1-CB 3.86Å; L306-C317 PolarHBondContact N-O 3.25Å; L306-C317 PolarHBondContact O-N 3.29Å; C317-A334 HydrophobicContact CB-CB 4.34Å; C317-V335 WeakPolarHBondContact CA-O 3.14Å; C317-C336 HydrophobicContact CB-CB 4.02Å; C317-C336 WeakPolarHBondContact CB-SG 3.36Å; C317-C336 WeakPolarHBondContact SG-CB 3.35Å; C317-C336 CovalentContact SG-SG 2.04Å; C317-C336 PolarHBondContact SG-SG 3.38Å |
| 318 | Y | 98.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.9 | 155.1 | 178.3 | -84.6 | 0 | 0 | 0 | 107.8 | L136 H137 L161 F163 A334 V335 | L136-Y318 HydrophobicContact CB-CD1 4.09Å; L136-Y318 HydrophobicContact CB-CE1 3.88Å; L136-Y318 HydrophobicContact CB-CE2 4.39Å; L136-Y318 HydrophobicContact CB-CG 4.45Å; L136-Y318 HydrophobicContact CD1-CD1 3.98Å; L136-Y318 HydrophobicContact CD1-CE1 4.42Å; H137-Y318 WeakPolarHBondContact CA-OH 3.42Å; H137-Y318 PolarHBondContact O-OH 2.8Å; L161-Y318 HydrophobicContact CD2-CD2 3.66Å; L161-Y318 HydrophobicContact CD2-CE2 4.13Å; L161-Y318 HydrophobicContact CG-CD2 4.09Å; L161-Y318 HydrophobicContact CG-CE2 4.29Å; F163-Y318 HydrophobicContact CB-CD2 4.26Å; Y318-A334 CarbonylContact O-C 3.57Å; Y318-A334 WeakPolarHBondContact O-CA 3.3Å; Y318-V335 PolarHBondContact N-O 2.04Å; Y318-V335 PolarHBondContact O-N 3.2Å |
| 319 | T | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.9 | 173 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | F247 T263 R304 L306 S321 S333 | F247-T319 HydrophobicContact CE1-CG2 3.9Å; F247-T319 HydrophobicContact CZ-CG2 4.37Å; T263-T319 HydrophobicContact CG2-CG2 4.19Å; R304-T319 HydrophobicContact CB-CG2 3.71Å; R304-T319 WeakPolarHBondContact CB-O 3.27Å; R304-T319 WeakPolarHBondContact O-CG2 3.34Å; R304-T319 PolarHBondContact O-N 3.35Å; R304-T319 VanDerWaalsContact O-N 3.13Å; L306-T319 HydrophobicContact CD1-CG2 4.03Å; T319-S321 PolarHBondContact OG1-N 2.84Å; T319-S333 WeakPolarHBondContact CA-O 3.43Å; T319-S333 PolarHBondContact OG1-O 2.88Å; T319-S333 VanDerWaalsContact OG1-O 3.11Å |
| 320 | N | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.9 | -1.6 | 172.3 | 78.9 | 1 | 0 | 0 | 0 | 112.2 | R119 S121 E182 S332 S333 | R119-N320 WeakPolarHBondContact CD-O 3.5Å; R119-N320 WeakPolarHBondContact CG-O 3.35Å; R119-N320 PolarHBondContact NE-O 3.48Å; R119-N320 PolarHBondContact NH1-O 3.1Å; S121-N320 WeakPolarHBondContact OG-CB 3.26Å; E182-N320 PolarHBondContact OE2-ND2 2.85Å; N320-S332 VanDerWaalsContact OD1-CA 3.28Å; N320-S332 WeakPolarHBondContact OD1-CA 3.5Å; N320-S333 PolarHBondContact N-O 2.98Å; N320-S333 PolarHBondContact ND2-N 3.36Å; N320-S333 PolarHBondContact ND2-OG 2.91Å; N320-S333 VanDerWaalsContact ND2-OG 3.16Å; N320-S333 PolarHBondContact OD1-N 2.79Å; N320-S333 PolarHBondContact OD1-O 3.34Å |
| 321 | S | 93.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -122.5 | 149.2 | -165.4 | -170.7 | 0 | 0 | 0 | 0 | 115.1 | R119 F247 R304 T319 | R119-S321 VanDerWaalsContact NH1-CB 3.27Å; R119-S321 PolarHBondContact NH1-OG 3.41Å; R119-S321 VanDerWaalsContact NH1-OG 3.17Å; F247-S321 WeakPolarHBondContact CZ-O 3.43Å; R304-S321 WeakPolarHBondContact CD-O 3.38Å; T319-S321 PolarHBondContact OG1-N 2.84Å | ||
| 322 | D | 92.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | trans | -91 | 163.3 | 168.3 | -73.2 | -51.2 | 0 | 0 | 0 | 111.4 | F247 K264 R304 T324 E327 | F247-D322 WeakPolarHBondContact CE2-O 3.33Å; K264-D322 HydrophobicContact CB-CB 4.06Å; K264-D322 WeakPolarHBondContact CB-OD1 3.11Å; K264-D322 PolarHBondContact N-OD1 2.78Å; R304-D322 WeakPolarHBondContact CD-OD1 3.49Å; R304-D322 IonicContact CZ-OD2 3.7Å; R304-D322 IonicContact NE-OD1 3.95Å; R304-D322 PolarHBondContact NE-OD1 3.19Å; R304-D322 IonicContact NE-OD2 2.75Å; R304-D322 PolarHBondContact NE-OD2 2.98Å; R304-D322 IonicContact NH2-OD2 2.77Å; R304-D322 PolarHBondContact NH2-OD2 2.69Å; D322-T324 HydrophobicContact CB-CG2 4.31Å; D322-T324 PolarHBondContact O-N 3Å; D322-E327 HydrophobicContact CB-CG 4.29Å; D322-E327 WeakPolarHBondContact O-CB 3.34Å; D322-E327 WeakPolarHBondContact O-CG 3.5Å | ||
| 323 | R | 88.9 | Confident | 93.6 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -95.7 | 64.2 | 178.3 | -74 | -169.2 | 73.7 | -158.9 | 6.4 | 111.6 | F247 S261 T263 K264 A265 E266 V278 N280 | F247-R323 HydrophobicContact CD1-CG 4.5Å; F247-R323 HydrophobicContact CD2-CG 3.35Å; F247-R323 HydrophobicContact CE1-CG 4.42Å; F247-R323 HydrophobicContact CE2-CB 4.3Å; F247-R323 HydrophobicContact CE2-CG 3.3Å; F247-R323 HydrophobicContact CG-CG 3.95Å; F247-R323 HydrophobicContact CZ-CG 3.85Å; S261-R323 WeakPolarHBondContact OG-CD 3.04Å; S261-R323 PolarHBondContact OG-NH1 2.8Å; T263-R323 WeakPolarHBondContact OG1-CG 3.1Å; T263-R323 PolarHBondContact OG1-N 3.11Å; K264-R323 PolarHBondContact O-N 3.29Å; A265-R323 VanDerWaalsContact CA-O 3.29Å; A265-R323 WeakPolarHBondContact CA-O 3.27Å; A265-R323 HydrophobicContact CB-CB 4Å; E266-R323 PolarHBondContact N-O 3.26Å; V278-R323 VanDerWaalsContact O-CZ 3.26Å; V278-R323 PolarHBondContact O-NH1 2.84Å; V278-R323 PolarHBondContact O-NH2 3.13Å; N280-R323 PolarHBondContact OD1-NH1 3.16Å |
| 324 | T | 89.4 | Confident | 93.7 | Very high | 34 Ų | 34 | 26 Ų | 26 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -120.7 | 157.4 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | E266 D322 R326 E327 | E266-T324 HydrophobicContact CG-CG2 4.45Å; D322-T324 HydrophobicContact CB-CG2 4.31Å; D322-T324 PolarHBondContact O-N 3Å; T324-R326 PolarHBondContact O-N 2.84Å; T324-E327 WeakPolarHBondContact O-CB 3.22Å; T324-E327 PolarHBondContact O-N 2.77Å; T324-E327 WeakPolarHBondContact OG1-CG 3.47Å |
| 325 | E | 87.4 | Confident | 93.8 | Very high | 105 Ų | 105 | 25 Ų | 25 | 49% | 0.491 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.7 | -34.6 | 179.7 | -73.3 | -58.8 | 134.2 | 0 | 0 | 111.6 | E266 E327 K328 | E266-E325 PolarHBondContact OE1-N 2.97Å; E325-E327 PolarHBondContact O-N 2.85Å; E325-K328 PolarHBondContact O-N 2.98Å; E325-K328 WeakPolarHBondContact OE1-CE 3.35Å; E325-K328 IonicContact OE1-NZ 3.63Å; E325-K328 PolarHBondContact OE1-NZ 2.99Å; E325-K328 WeakPolarHBondContact OE2-CE 3.49Å; E325-K328 IonicContact OE2-NZ 2.87Å; E325-K328 PolarHBondContact OE2-NZ 3.35Å |
| 326 | R | 88.8 | Confident | 93.8 | Very high | 144 Ų | 144 | 24.7 Ų | 24.7 | 54% | 0.543 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60 | -34.7 | 175.8 | -175.7 | 177.3 | 177 | -171.6 | -3.4 | 112.7 | S117 T324 K328 S329 | S117-R326 PolarHBondContact OG-NH2 2.6Å; T324-R326 PolarHBondContact O-N 2.84Å; R326-K328 VanDerWaalsContact C-N 3.31Å; R326-K328 PolarHBondContact O-N 3.39Å; R326-S329 PolarHBondContact O-N 3.44Å |
| 327 | E | 90.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.3 | -19.9 | -174.8 | -73.8 | -77.8 | -159.6 | 0 | 0 | 113.5 | R119 D322 T324 E325 S329 L330 | R119-E327 VanDerWaalsContact CD-OE1 3.25Å; R119-E327 WeakPolarHBondContact CD-OE1 3.09Å; R119-E327 IonicContact CZ-OE1 2.62Å; R119-E327 IonicContact CZ-OE2 3.05Å; R119-E327 IonicContact NE-OE1 2.68Å; R119-E327 IonicContact NH1-OE1 3.04Å; R119-E327 PolarHBondContact NH1-OE1 3.17Å; R119-E327 IonicContact NH1-OE2 3.77Å; R119-E327 PolarHBondContact NH1-OE2 2.99Å; D322-E327 HydrophobicContact CB-CG 4.29Å; D322-E327 WeakPolarHBondContact O-CB 3.34Å; D322-E327 WeakPolarHBondContact O-CG 3.5Å; T324-E327 WeakPolarHBondContact O-CB 3.22Å; T324-E327 PolarHBondContact O-N 2.77Å; T324-E327 WeakPolarHBondContact OG1-CG 3.47Å; E325-E327 PolarHBondContact O-N 2.85Å; E327-S329 PolarHBondContact O-N 3.39Å; E327-L330 PolarHBondContact O-N 3.02Å; E327-L330 VanDerWaalsContact O-N 3.09Å; E327-L330 WeakPolarHBondContact OE2-CB 3.41Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.43Å |
| 328 | K | 89.8 | Confident | 93.7 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -32.8 | 172.1 | -62.6 | -177.2 | -175.3 | 167.4 | 0 | 111.9 | K238 A243 L244 D245 E325 R326 | K238-K328 PolarHBondContact NZ-O 3.05Å; A243-K328 WeakPolarHBondContact CA-O 3.26Å; L244-K328 WeakPolarHBondContact O-CA 3.27Å; D245-K328 HydrophobicContact CB-CG 4.43Å; E325-K328 PolarHBondContact O-N 2.98Å; E325-K328 WeakPolarHBondContact OE1-CE 3.35Å; E325-K328 IonicContact OE1-NZ 3.63Å; E325-K328 PolarHBondContact OE1-NZ 2.99Å; E325-K328 WeakPolarHBondContact OE2-CE 3.49Å; E325-K328 IonicContact OE2-NZ 2.87Å; E325-K328 PolarHBondContact OE2-NZ 3.35Å; R326-K328 VanDerWaalsContact C-N 3.31Å; R326-K328 PolarHBondContact O-N 3.39Å |
| 329 | S | 91 | Very high | 93.6 | Very high | 76 Ų | 76 | 29.3 Ų | 29.3 | 53% | 0.531 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | S240 R326 E327 | S240-S329 WeakPolarHBondContact CB-O 3.43Å; R326-S329 PolarHBondContact O-N 3.44Å; E327-S329 PolarHBondContact O-N 3.39Å |
| 330 | L | 91.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 31 Ų | 31 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -112.6 | 157.9 | 177.9 | -65.3 | 177.1 | 0 | 0 | 0 | 111.2 | V116 K238 E327 | V116-L330 HydrophobicContact CG2-CD1 4.18Å; K238-L330 PolarHBondContact NZ-O 3.42Å; E327-L330 PolarHBondContact O-N 3.02Å; E327-L330 VanDerWaalsContact O-N 3.09Å; E327-L330 WeakPolarHBondContact OE2-CB 3.41Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.43Å |
| 331 | D | 92.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | trans | -71.8 | 140.2 | 167.7 | -49.3 | -46.4 | 0 | 0 | 0 | 108.9 | R119 R183 K238 R239 S240 | R119-D331 PolarHBondContact NH2-O 3.3Å; R183-D331 IonicContact CZ-OD1 3.19Å; R183-D331 IonicContact CZ-OD2 2.66Å; R183-D331 IonicContact NE-OD1 2.78Å; R183-D331 IonicContact NE-OD2 2.72Å; R183-D331 PolarHBondContact NE-OD2 2.62Å; R183-D331 IonicContact NH2-OD1 2.71Å; R183-D331 PolarHBondContact NH2-OD1 3.25Å; R183-D331 IonicContact NH2-OD2 3.7Å; R183-D331 PolarHBondContact NH2-OD2 2.68Å; K238-D331 WeakPolarHBondContact O-CA 3.27Å; R239-D331 WeakPolarHBondContact CA-OD1 3.49Å; S240-D331 PolarHBondContact N-OD1 3.09Å; S240-D331 PolarHBondContact OG-OD1 3.21Å | ||
| 332 | S | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156.4 | -173.8 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | T237 K238 L246 N320 | T237-S332 WeakPolarHBondContact CA-O 3.3Å; K238-S332 WeakPolarHBondContact CE-OG 3.5Å; K238-S332 PolarHBondContact N-O 3.28Å; K238-S332 PolarHBondContact O-N 3.05Å; L246-S332 WeakPolarHBondContact CB-OG 3.04Å; N320-S332 VanDerWaalsContact OD1-CA 3.28Å; N320-S332 WeakPolarHBondContact OD1-CA 3.5Å |
| 333 | S | 96.4 | Very high | 94 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | E182 I236 T319 N320 | E182-S333 VanDerWaalsContact CD-CB 3.41Å; E182-S333 WeakPolarHBondContact OE1-CB 3.23Å; E182-S333 PolarHBondContact OE1-OG 3.39Å; E182-S333 PolarHBondContact OE2-OG 3.49Å; E182-S333 VanDerWaalsContact OE2-OG 3.07Å; I236-S333 CarbonylContact O-C 3.59Å; I236-S333 WeakPolarHBondContact O-CA 3.33Å; I236-S333 VanDerWaalsContact O-CB 3.24Å; I236-S333 WeakPolarHBondContact O-CB 3.5Å; T319-S333 WeakPolarHBondContact CA-O 3.43Å; T319-S333 PolarHBondContact OG1-O 2.88Å; T319-S333 VanDerWaalsContact OG1-O 3.11Å; N320-S333 PolarHBondContact N-O 2.98Å; N320-S333 PolarHBondContact ND2-N 3.36Å; N320-S333 PolarHBondContact ND2-OG 2.91Å; N320-S333 VanDerWaalsContact ND2-OG 3.16Å; N320-S333 PolarHBondContact OD1-N 2.79Å; N320-S333 PolarHBondContact OD1-O 3.34Å |
| 334 | A | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | I236 I251 C317 Y318 | I236-A334 PolarHBondContact N-O 2.98Å; I236-A334 PolarHBondContact O-N 2.97Å; I251-A334 HydrophobicContact CD1-CB 3.5Å; I251-A334 VanDerWaalsContact CD1-CB 3.5Å; I251-A334 HydrophobicContact CG1-CB 4.37Å; C317-A334 HydrophobicContact CB-CB 4.34Å; Y318-A334 CarbonylContact O-C 3.57Å; Y318-A334 WeakPolarHBondContact O-CA 3.3Å |
| 335 | V | 98.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 106.7 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | W134 L136 F163 V233 I234 Y235 C317 Y318 | W134-V335 HydrophobicContact CH2-CG2 3.48Å; W134-V335 VanDerWaalsContact CH2-CG2 3.48Å; W134-V335 HydrophobicContact CZ2-CG2 4.35Å; W134-V335 HydrophobicContact CZ3-CG1 4.22Å; W134-V335 HydrophobicContact CZ3-CG2 3.79Å; L136-V335 HydrophobicContact CD1-CB 3.89Å; L136-V335 HydrophobicContact CD1-CG1 4.38Å; L136-V335 HydrophobicContact CD1-CG2 3.57Å; F163-V335 HydrophobicContact CE1-CG1 3.99Å; V233-V335 HydrophobicContact CG1-CG1 3.44Å; V233-V335 VanDerWaalsContact CG1-CG1 3.44Å; I234-V335 WeakPolarHBondContact O-CA 3.43Å; Y235-V335 HydrophobicContact CD2-CG2 3.7Å; Y235-V335 HydrophobicContact CE2-CG2 4.12Å; Y235-V335 HydrophobicContact CG-CG2 4.25Å; C317-V335 WeakPolarHBondContact CA-O 3.14Å; Y318-V335 PolarHBondContact N-O 2.04Å; Y318-V335 PolarHBondContact O-N 3.2Å |
| 336 | C | 98.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 145.3 | -175.1 | -59.3 | 0 | 0 | 0 | 0 | 111 | V233 I234 I315 W316 C317 | V233-C336 CarbonylContact C-O 3.59Å; V233-C336 VanDerWaalsContact CA-O 3.29Å; V233-C336 WeakPolarHBondContact CA-O 2.85Å; I234-C336 HydrophobicContact CB-CB 4.41Å; I234-C336 PolarHBondContact N-O 2.96Å; I234-C336 PolarHBondContact O-N 2.75Å; I315-C336 HydrophobicContact CG2-CB 3.93Å; W316-C336 CarbonylContact O-C 3.5Å; W316-C336 VanDerWaalsContact O-CA 3.25Å; W316-C336 WeakPolarHBondContact O-CA 3.07Å; C317-C336 HydrophobicContact CB-CB 4.02Å; C317-C336 WeakPolarHBondContact CB-SG 3.36Å; C317-C336 WeakPolarHBondContact SG-CB 3.35Å; C317-C336 CovalentContact SG-SG 2.04Å; C317-C336 PolarHBondContact SG-SG 3.38Å |
| 337 | I | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.6 | 175.2 | -168.3 | 175.6 | 0 | 0 | 0 | 108.8 | W40 F163 V231 V233 I315 W316 N339 L342 | W40-I337 HydrophobicContact CD2-CD1 4.23Å; W40-I337 HydrophobicContact CG-CD1 3.93Å; F163-I337 HydrophobicContact CZ-CB 4.46Å; F163-I337 HydrophobicContact CZ-CD1 4.39Å; F163-I337 HydrophobicContact CZ-CG2 4.38Å; V231-I337 HydrophobicContact CG1-CD1 3.8Å; V231-I337 HydrophobicContact CG1-CG1 3.58Å; V233-I337 HydrophobicContact CG2-CD1 4.44Å; V233-I337 HydrophobicContact CG2-CG1 4.23Å; I315-I337 WeakPolarHBondContact CA-O 3.49Å; W316-I337 HydrophobicContact CB-CG2 4.46Å; W316-I337 HydrophobicContact CE3-CG2 3.96Å; W316-I337 PolarHBondContact N-O 2.84Å; W316-I337 PolarHBondContact O-N 3.05Å; I337-N339 HydrophobicContact CD1-CB 4.37Å; I337-N339 HydrophobicContact CG1-CB 4.18Å; I337-N339 PolarHBondContact O-N 2.02Å; I337-L342 HydrophobicContact CG2-CD1 3.76Å |
| 338 | E | 95.8 | Very high | 96 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 35% | 0.35 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 101.3 | 172.3 | -169 | 170.4 | 168.2 | 0 | 0 | 108.8 | P314 I315 | P314-E338 HydrophobicContact CG-CG 4.12Å; P314-E338 CarbonylContact O-C 3.56Å; P314-E338 WeakPolarHBondContact O-CA 3.42Å; I315-E338 HydrophobicContact CG1-CB 4.24Å; I315-E338 HydrophobicContact CG1-CG 4.12Å |
| 339 | N | 96.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | trans | -150.3 | 107 | -173.3 | -171.3 | -87.2 | 0 | 0 | 0 | 111.8 | P314 I337 P341 L342 H343 | P314-N339 PolarHBondContact O-N 2.9Å; I337-N339 HydrophobicContact CD1-CB 4.37Å; I337-N339 HydrophobicContact CG1-CB 4.18Å; I337-N339 PolarHBondContact O-N 2.02Å; N339-P341 WeakPolarHBondContact OD1-CD 3.06Å; N339-L342 HydrophobicContact CB-CB 4.01Å; N339-L342 PolarHBondContact O-N 2.8Å; N339-L342 VanDerWaalsContact OD1-CB 3.29Å; N339-L342 WeakPolarHBondContact OD1-CB 3.4Å; N339-L342 PolarHBondContact OD1-N 2.92Å; N339-H343 VanDerWaalsContact O-CB 3.24Å; N339-H343 WeakPolarHBondContact O-CB 3.3Å; N339-H343 PolarHBondContact O-N 2.97Å | ||
| 340 | G | 96.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 36% | 0.361 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -52.9 | -51.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | H343 K344 | G340-H343 PolarHBondContact O-N 3.46Å; G340-K344 VanDerWaalsContact O-CB 3.31Å; G340-K344 WeakPolarHBondContact O-CB 3.34Å; G340-K344 PolarHBondContact O-N 2.97Å |
| 341 | P | 96.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 29.2 Ų | 29.2 | 36% | 0.357 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59 | -45.7 | 177.9 | -29.4 | 36.9 | 0 | 0 | 0 | 114.4 | A73 A74 N339 A345 | A73-P341 HydrophobicContact CB-CB 3.91Å; A74-P341 HydrophobicContact CB-CB 4.44Å; N339-P341 WeakPolarHBondContact OD1-CD 3.06Å; P341-A345 PolarHBondContact O-N 3.15Å; P341-A345 VanDerWaalsContact O-N 3.11Å |
| 342 | L | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -49.9 | 176 | -174.8 | 165.3 | 0 | 0 | 0 | 110.5 | W40 W316 I337 N339 K344 A345 F346 | W40-L342 HydrophobicContact CE3-CD1 4.14Å; W40-L342 HydrophobicContact CH2-CB 3.76Å; W40-L342 HydrophobicContact CH2-CD1 3.74Å; W40-L342 HydrophobicContact CH2-CG 4.09Å; W40-L342 HydrophobicContact CZ2-CB 4.18Å; W40-L342 HydrophobicContact CZ2-CD1 4.22Å; W40-L342 HydrophobicContact CZ3-CB 4.49Å; W40-L342 HydrophobicContact CZ3-CD1 3.71Å; W40-L342 HydrophobicContact CZ3-CG 4.33Å; W316-L342 HydrophobicContact CB-CD2 3.27Å; W316-L342 HydrophobicContact CD2-CD2 3.76Å; W316-L342 HydrophobicContact CE3-CD1 4.31Å; W316-L342 HydrophobicContact CE3-CD2 4.2Å; W316-L342 HydrophobicContact CG-CD2 3.35Å; I337-L342 HydrophobicContact CG2-CD1 3.76Å; N339-L342 HydrophobicContact CB-CB 4.01Å; N339-L342 PolarHBondContact O-N 2.8Å; N339-L342 VanDerWaalsContact OD1-CB 3.29Å; N339-L342 WeakPolarHBondContact OD1-CB 3.4Å; N339-L342 PolarHBondContact OD1-N 2.92Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 3.22Å; L342-A345 WeakPolarHBondContact O-CB 3.37Å; L342-A345 PolarHBondContact O-N 3.47Å; L342-F346 HydrophobicContact CD2-CD2 3.76Å; L342-F346 HydrophobicContact CD2-CE2 4Å; L342-F346 HydrophobicContact CG-CD2 4.47Å; L342-F346 PolarHBondContact O-N 2.8Å; L342-F346 VanDerWaalsContact O-N 3.12Å |
| 343 | H | 98.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 178.7 | -178.6 | -92 | 0 | 0 | 0 | 111.8 | L307 S308 P314 N339 G340 A345 F346 L347 | L307-H343 HydrophobicContact CD1-CB 4.46Å; L307-H343 WeakPolarHBondContact CD1-CD2 3.46Å; S308-H343 PolarHBondContact O-CE1 2.99Å; S308-H343 PolarHBondContact O-NE2 2.79Å; S308-H343 PolarHBondContact OG-CD2 2.96Å; S308-H343 PolarHBondContact OG-NE2 3.12Å; P314-H343 VanDerWaalsContact C-CD2 3.5Å; P314-H343 VanDerWaalsContact CA-CD2 3.45Å; P314-H343 WeakPolarHBondContact CA-CD2 3.33Å; P314-H343 HydrophobicContact CB-CB 3.59Å; N339-H343 VanDerWaalsContact O-CB 3.24Å; N339-H343 WeakPolarHBondContact O-CB 3.3Å; N339-H343 PolarHBondContact O-N 2.97Å; G340-H343 PolarHBondContact O-N 3.46Å; H343-A345 VanDerWaalsContact C-N 3.3Å; H343-A345 PolarHBondContact O-N 2.89Å; H343-F346 PolarHBondContact O-N 2.72Å; H343-F346 VanDerWaalsContact O-N 3.17Å; H343-L347 VanDerWaalsContact CE1-CD1 3.49Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.1Å; H343-L347 PolarHBondContact O-N 3.32Å |
| 344 | K | 97.8 | Very high | 97 | Very high | 149 Ų | 149 | 38.9 Ų | 38.9 | 65% | 0.648 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.4 | -37.7 | 175.8 | -174.1 | -179.9 | 178.4 | -175.3 | 0 | 112.7 | G340 L342 F346 L347 A348 | G340-K344 VanDerWaalsContact O-CB 3.31Å; G340-K344 WeakPolarHBondContact O-CB 3.34Å; G340-K344 PolarHBondContact O-N 2.97Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 3.22Å; K344-F346 VanDerWaalsContact C-N 3.34Å; K344-L347 PolarHBondContact O-N 3.19Å; K344-A348 PolarHBondContact O-N 3.41Å; K344-A348 VanDerWaalsContact O-N 3.11Å |
| 345 | A | 97.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 W77 P341 L342 H343 T349 | L68-A345 HydrophobicContact CD1-CB 3.72Å; L68-A345 HydrophobicContact CD2-CB 3.84Å; L68-A345 HydrophobicContact CG-CB 4.45Å; W77-A345 PolarHBondContact NE1-O 2.93Å; P341-A345 PolarHBondContact O-N 3.15Å; P341-A345 VanDerWaalsContact O-N 3.11Å; L342-A345 WeakPolarHBondContact O-CB 3.37Å; L342-A345 PolarHBondContact O-N 3.47Å; H343-A345 VanDerWaalsContact C-N 3.3Å; H343-A345 PolarHBondContact O-N 2.89Å; A345-T349 PolarHBondContact O-N 2.66Å; A345-T349 PolarHBondContact O-OG1 3.35Å |
| 346 | F | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.9 | -36 | 174.4 | -86.5 | -97.1 | 0 | 0 | 0 | 113 | L42 L68 W77 W305 L307 W316 L342 H343 K344 A348 T349 E350 | L42-F346 HydrophobicContact CD1-CE2 3.68Å; L42-F346 HydrophobicContact CD1-CZ 3.68Å; L42-F346 HydrophobicContact CD2-CZ 4.35Å; L68-F346 HydrophobicContact CD1-CD2 4.28Å; L68-F346 HydrophobicContact CD1-CE2 3.97Å; W77-F346 AromaticContact CH2-CE2 3.84Å; W77-F346 HydrophobicContact CH2-CE2 3.84Å; W77-F346 AromaticContact CH2-CZ 3.73Å; W77-F346 HydrophobicContact CH2-CZ 3.73Å; W77-F346 AromaticContact CZ2-CD2 3.97Å; W77-F346 HydrophobicContact CZ2-CD2 3.97Å; W77-F346 HydrophobicContact CZ2-CE1 4.03Å; W77-F346 AromaticContact CZ2-CE2 3.43Å; W77-F346 HydrophobicContact CZ2-CE2 3.43Å; W77-F346 VanDerWaalsContact CZ2-CE2 3.43Å; W77-F346 HydrophobicContact CZ2-CG 4.48Å; W77-F346 AromaticContact CZ2-CZ 3.47Å; W77-F346 HydrophobicContact CZ2-CZ 3.47Å; W77-F346 VanDerWaalsContact CZ2-CZ 3.47Å; W305-F346 HydrophobicContact CD2-CD1 4.02Å; W305-F346 AromaticContact CD2-CE1 3.8Å; W305-F346 HydrophobicContact CD2-CE1 3.8Å; W305-F346 AromaticContact CE2-CD1 3.93Å; W305-F346 AromaticContact CE2-CE1 3.67Å; W305-F346 HydrophobicContact CE3-CD1 4.02Å; W305-F346 HydrophobicContact CE3-CE1 4.25Å; W305-F346 HydrophobicContact CG-CE1 4.19Å; W305-F346 AromaticContact CH2-CD1 3.92Å; W305-F346 HydrophobicContact CH2-CD1 3.92Å; W305-F346 HydrophobicContact CH2-CE1 4.49Å; W305-F346 AromaticContact CZ2-CD1 3.87Å; W305-F346 HydrophobicContact CZ2-CD1 3.87Å; W305-F346 HydrophobicContact CZ2-CE1 4.02Å; W305-F346 AromaticContact CZ3-CD1 4Å; W305-F346 HydrophobicContact CZ3-CD1 4Å; W305-F346 AromaticContact NE1-CE1 3.94Å; L307-F346 HydrophobicContact CD1-CB 3.66Å; L307-F346 HydrophobicContact CD2-CB 3.85Å; L307-F346 HydrophobicContact CG-CB 4.33Å; W316-F346 AromaticContact CD1-CD1 3.81Å; W316-F346 AromaticContact CD1-CD2 3.81Å; W316-F346 AromaticContact CD1-CE1 4Å; W316-F346 AromaticContact CD1-CE2 3.99Å; W316-F346 AromaticContact CD1-CG 3.71Å; W316-F346 AromaticContact CE2-CE2 3.92Å; W316-F346 AromaticContact CE2-CZ 3.64Å; W316-F346 HydrophobicContact CG-CD2 4.47Å; W316-F346 HydrophobicContact CZ2-CE1 4.39Å; W316-F346 HydrophobicContact CZ2-CE2 4.4Å; W316-F346 AromaticContact CZ2-CZ 3.86Å; W316-F346 HydrophobicContact CZ2-CZ 3.86Å; W316-F346 AromaticContact NE1-CD1 3.47Å; W316-F346 AromaticContact NE1-CD2 3.82Å; W316-F346 AromaticContact NE1-CE1 3.19Å; W316-F346 AromaticContact NE1-CE2 3.55Å; W316-F346 AromaticContact NE1-CG 3.77Å; W316-F346 AromaticContact NE1-CZ 3.23Å; L342-F346 HydrophobicContact CD2-CD2 3.76Å; L342-F346 HydrophobicContact CD2-CE2 4Å; L342-F346 HydrophobicContact CG-CD2 4.47Å; L342-F346 PolarHBondContact O-N 2.8Å; L342-F346 VanDerWaalsContact O-N 3.12Å; H343-F346 PolarHBondContact O-N 2.72Å; H343-F346 VanDerWaalsContact O-N 3.17Å; K344-F346 VanDerWaalsContact C-N 3.34Å; F346-A348 PolarHBondContact O-N 2.86Å; F346-T349 WeakPolarHBondContact O-CA 3.29Å; F346-T349 VanDerWaalsContact O-CB 3.23Å; F346-T349 WeakPolarHBondContact O-CB 3.43Å; F346-T349 PolarHBondContact O-N 2.72Å; F346-E350 PolarHBondContact O-N 3.28Å |
| 347 | L | 97.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -37.1 | 170.7 | -75.3 | 178.3 | 0 | 0 | 0 | 111.6 | L307 K311 H343 K344 T349 E350 | L307-L347 HydrophobicContact CD2-CB 4.47Å; L307-L347 HydrophobicContact CD2-CD2 3.65Å; L307-L347 HydrophobicContact CD2-CG 3.94Å; K311-L347 HydrophobicContact CG-CD1 4.2Å; H343-L347 VanDerWaalsContact CE1-CD1 3.49Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.1Å; H343-L347 PolarHBondContact O-N 3.32Å; K344-L347 PolarHBondContact O-N 3.19Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.33Å; L347-E350 PolarHBondContact O-N 2.86Å |
| 348 | A | 96.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K344 F346 E350 V351 | K344-A348 PolarHBondContact O-N 3.41Å; K344-A348 VanDerWaalsContact O-N 3.11Å; F346-A348 PolarHBondContact O-N 2.86Å; A348-E350 PolarHBondContact O-N 3.21Å; A348-V351 WeakPolarHBondContact O-CG2 3.35Å |
| 349 | T | 97.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -27.1 | 174.4 | -55 | 0 | 0 | 0 | 0 | 112.4 | W77 L285 H286 L287 L296 A345 F346 L347 | W77-T349 PolarHBondContact NE1-OG1 2.67Å; W77-T349 VanDerWaalsContact NE1-OG1 3.14Å; L285-T349 WeakPolarHBondContact CA-O 3.06Å; L285-T349 HydrophobicContact CB-CG2 4.12Å; L285-T349 HydrophobicContact CD2-CG2 3.97Å; L285-T349 WeakPolarHBondContact CD2-O 3.47Å; L285-T349 HydrophobicContact CG-CG2 4.47Å; H286-T349 PolarHBondContact N-O 2.94Å; H286-T349 VanDerWaalsContact O-CA 3.23Å; H286-T349 WeakPolarHBondContact O-CA 3.15Å; H286-T349 VanDerWaalsContact O-CG2 3.25Å; H286-T349 WeakPolarHBondContact O-CG2 3.43Å; L287-T349 HydrophobicContact CD2-CG2 3.8Å; L287-T349 WeakPolarHBondContact CD2-OG1 3.45Å; L296-T349 HydrophobicContact CD1-CG2 4.2Å; A345-T349 PolarHBondContact O-N 2.66Å; A345-T349 PolarHBondContact O-OG1 3.35Å; F346-T349 WeakPolarHBondContact O-CA 3.29Å; F346-T349 VanDerWaalsContact O-CB 3.23Å; F346-T349 WeakPolarHBondContact O-CB 3.43Å; F346-T349 PolarHBondContact O-N 2.72Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 3.33Å |
| 350 | E | 96.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0 | -176 | -73 | 176.6 | -159.7 | 0 | 0 | 114.8 | I281 L285 W305 L307 F346 L347 A348 T352 A353 | I281-E350 HydrophobicContact CD1-CG 4.06Å; I281-E350 WeakPolarHBondContact CD1-OE1 3.46Å; L285-E350 HydrophobicContact CD2-CB 4.29Å; L285-E350 HydrophobicContact CD2-CG 3.55Å; W305-E350 HydrophobicContact CH2-CG 4.31Å; W305-E350 WeakPolarHBondContact CH2-OE1 3.41Å; W305-E350 WeakPolarHBondContact CZ3-OE1 3.41Å; L307-E350 WeakPolarHBondContact CB-OE1 3.37Å; L307-E350 VanDerWaalsContact CD2-CD 3.5Å; L307-E350 WeakPolarHBondContact CD2-OE1 3.48Å; F346-E350 PolarHBondContact O-N 3.28Å; L347-E350 PolarHBondContact O-N 2.86Å; A348-E350 PolarHBondContact O-N 3.21Å; E350-T352 PolarHBondContact O-N 3.11Å; E350-T352 VanDerWaalsContact O-N 3.1Å; E350-A353 HydrophobicContact CB-CB 4.19Å; E350-A353 HydrophobicContact CG-CB 4.48Å; E350-A353 WeakPolarHBondContact O-CB 3.36Å; E350-A353 PolarHBondContact O-N 3.1Å |
| 351 | V | 94.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.5 | -172 | 171.3 | 0 | 0 | 0 | 0 | 113.5 | A348 | A348-V351 WeakPolarHBondContact O-CG2 3.35Š|
| 352 | T | 95.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 12.4 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | G284 H286 E350 | G284-T352 CarbonylContact O-C 3.58Å; G284-T352 PolarHBondContact O-OG1 3.05Å; H286-T352 PolarHBondContact CE1-OG1 3.11Å; H286-T352 PolarHBondContact ND1-OG1 3.02Å; E350-T352 PolarHBondContact O-N 3.11Å; E350-T352 VanDerWaalsContact O-N 3.1Å |
| 353 | A | 96.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -70.1 | 138 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I281 S283 L285 E350 V355 | I281-A353 HydrophobicContact CG2-CB 4.08Å; S283-A353 CarbonylContact O-C 3.51Å; S283-A353 VanDerWaalsContact O-CA 3.25Å; S283-A353 WeakPolarHBondContact O-CA 3.4Å; L285-A353 HydrophobicContact CD2-CB 3.97Å; E350-A353 HydrophobicContact CB-CB 4.19Å; E350-A353 HydrophobicContact CG-CB 4.48Å; E350-A353 WeakPolarHBondContact O-CB 3.36Å; E350-A353 PolarHBondContact O-N 3.1Å; A353-V355 HydrophobicContact CB-CG2 4.26Å | ||
| 354 | Q | 94.3 | Very high | 92.2 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.7 | 165.1 | -63.4 | -178 | 15.8 | 0 | 0 | 107.5 | M282 S283 | M282-Q354 WeakPolarHBondContact CB-O 3.16Å; M282-Q354 PolarHBondContact N-O 3.3Å; S283-Q354 PolarHBondContact O-N 2.95Å |
| 355 | V | 91.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.4 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 108 | R279 N280 I281 A353 A357 | R279-V355 HydrophobicContact CB-CG1 3.42Å; R279-V355 VanDerWaalsContact CB-CG1 3.42Å; R279-V355 HydrophobicContact CG-CG1 4.18Å; N280-V355 WeakPolarHBondContact O-CA 3.48Å; I281-V355 HydrophobicContact CG1-CG2 4.17Å; A353-V355 HydrophobicContact CB-CG2 4.26Å; V355-A357 PolarHBondContact O-N 3.19Å |
| 356 | D | 86.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | trans | -56.3 | 138.7 | 179.5 | -163.3 | 9.1 | 0 | 0 | 0 | 110.7 | N280 M282 C358 | N280-D356 HydrophobicContact CB-CB 4.35Å; N280-D356 PolarHBondContact O-N 2.71Å; M282-D356 HydrophobicContact CG-CB 4.26Å; M282-D356 HydrophobicContact SD-CB 4.46Å; D356-C358 PolarHBondContact O-N 3.23Å; D356-C358 VanDerWaalsContact O-N 3.1Å | ||
| 357 | A | 75.2 | Confident | 90.8 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 72% | 0.719 | 38% | 0.381 | S | S | * | . | trans | -78.1 | 98 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | V355 | V355-A357 PolarHBondContact O-N 3.19Š| ||
| 358 | C | 68.4 | Low | 90.2 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | trans | -57.1 | 0 | 144.2 | -64.8 | 0 | 0 | 0 | 0 | 108.7 | C271 R279 D356 | C271-C358 HydrophobicContact CB-CB 3.12Å; C271-C358 WeakPolarHBondContact CB-SG 3.22Å; C271-C358 VanDerWaalsContact SG-CA 3.52Å; C271-C358 WeakPolarHBondContact SG-CB 3.21Å; C271-C358 CovalentContact SG-SG 2.02Å; C271-C358 PolarHBondContact SG-SG 2.78Å; R279-C358 HydrophobicContact CG-CB 4.38Å; R279-C358 WeakPolarHBondContact CG-SG 3.45Å; D356-C358 PolarHBondContact O-N 3.23Å; D356-C358 VanDerWaalsContact O-N 3.1Å |
Retrieved 358 of 358 residues in 220.7 ms
(Link to these results)