| 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 | K | 42.8 | Very low | 49 | Very low | 267 Ų | 267 | 166.8 Ų | 166.8 | 100% | 1.161 | 83% | 0.829 | S | S | * | * | 0 | 96.9 | 0 | -83.6 | 174 | 173.4 | 171.3 | 0 | 107.9 | |||||
| 2 | M | 41.4 | Very low | 49.7 | Very low | 188 Ų | 188 | 161.9 Ų | 161.9 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -145 | 112 | 171 | -123.2 | 156.3 | 66.7 | 0 | 0 | 104.6 | L4 | M2-L4 PolarHBondContact O-N 3.38Š| ||
| 3 | I | 46.3 | Very low | 50.3 | Low | 152 Ų | 152 | 162.3 Ų | 162.3 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | -84.8 | 113.3 | -171.7 | -64.6 | 170.8 | 0 | 0 | 0 | 107 | L5 | I3-L5 HydrophobicContact CG2-CG 4.22Å; I3-L5 PolarHBondContact O-N 3.3Å | ||
| 4 | L | 42.4 | Very low | 50.8 | Low | 140 Ų | 140 | 156 Ų | 156 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -81.2 | 102.6 | 171.7 | -145.1 | 79 | 0 | 0 | 0 | 107.7 | M2 F6 | M2-L4 PolarHBondContact O-N 3.38Å; L4-F6 HydrophobicContact CD2-CD2 4.42Å; L4-F6 HydrophobicContact CD2-CE2 3.62Å; L4-F6 HydrophobicContact CD2-CZ 3.73Å; L4-F6 HydrophobicContact CG-CE2 4.45Å; L4-F6 PolarHBondContact O-N 3.13Å | ||
| 5 | L | 48 | Very low | 51.4 | Low | 139 Ų | 139 | 151.3 Ų | 151.3 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -84 | 100.7 | 173.6 | -82.4 | 152.8 | 0 | 0 | 0 | 108.9 | I3 F7 | I3-L5 HydrophobicContact CG2-CG 4.22Å; I3-L5 PolarHBondContact O-N 3.3Å; L5-F7 PolarHBondContact O-N 3.36Å | ||
| 6 | F | 47.9 | Very low | 51.9 | Low | 171 Ų | 171 | 149.9 Ų | 149.9 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 100.7 | 165.2 | -76.5 | -80.4 | 0 | 0 | 0 | 109 | L4 M8 | L4-F6 HydrophobicContact CD2-CD2 4.42Å; L4-F6 HydrophobicContact CD2-CE2 3.62Å; L4-F6 HydrophobicContact CD2-CZ 3.73Å; L4-F6 HydrophobicContact CG-CE2 4.45Å; L4-F6 PolarHBondContact O-N 3.13Å; F6-M8 PolarHBondContact O-N 2.89Å; F6-M8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | F | 51.1 | Low | 52.2 | Low | 177 Ų | 177 | 148.1 Ų | 148.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -71.8 | 97.4 | 162.3 | -92.8 | -88.9 | 0 | 0 | 0 | 108.2 | L5 F9 | L5-F7 PolarHBondContact O-N 3.36Å; F7-F9 PolarHBondContact O-N 3Å | ||
| 8 | M | 54 | Low | 52.1 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -67.7 | 98.4 | 166.2 | -68.2 | -73.4 | -79.6 | 0 | 0 | 108 | F6 G10 | F6-M8 PolarHBondContact O-N 2.89Å; F6-M8 VanDerWaalsContact O-N 3.11Å; M8-G10 PolarHBondContact O-N 3.39Å | ||
| 9 | F | 55 | Low | 52 | Low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -69.1 | 87 | 161.6 | -109.1 | -94.6 | 0 | 0 | 0 | 107.7 | F7 L11 | F7-F9 PolarHBondContact O-N 3Å; F9-L11 PolarHBondContact O-N 3.15Å | ||
| 10 | G | 53.3 | Low | 52 | Low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 103.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M8 S12 | M8-G10 PolarHBondContact O-N 3.39Å; G10-S12 PolarHBondContact O-N 2.92Å | ||
| 11 | L | 56.3 | Low | 52.2 | Low | 163 Ų | 163 | 146.8 Ų | 146.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -51.8 | 104.8 | 168.1 | -77.7 | 148.4 | 0 | 0 | 0 | 109.3 | F9 L13 | F9-L11 PolarHBondContact O-N 3.15Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.42Å | ||
| 12 | S | 57.8 | Low | 52.8 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -67.2 | 97.7 | 161.6 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | G10 A14 | G10-S12 PolarHBondContact O-N 2.92Å; S12-A14 PolarHBondContact O-N 2.93Å | ||
| 13 | L | 57.4 | Low | 54 | Low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -68.6 | 75.2 | 155.5 | -84.6 | 144.8 | 0 | 0 | 0 | 106.8 | L11 A15 | L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.42Å; L13-A15 PolarHBondContact O-N 3.43Å | ||
| 14 | A | 57.9 | Low | 55.6 | Low | 74 Ų | 74 | 137.8 Ų | 137.8 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | trans | -64 | 94 | 155.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | S12 V16 | S12-A14 PolarHBondContact O-N 2.93Å; A14-V16 VanDerWaalsContact C-N 3.3Å; A14-V16 PolarHBondContact O-N 3.07Å | ||
| 15 | A | 59.1 | Low | 57.6 | Low | 85 Ų | 85 | 134.6 Ų | 134.6 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | -56.1 | 104.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | L13 V17 | L13-A15 PolarHBondContact O-N 3.43Å; A15-V17 PolarHBondContact O-N 2.94Å | ||
| 16 | V | 59.9 | Low | 59.7 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 78% | 0.782 | 70% | 0.704 | S | S | * | * | trans | -64.4 | 96.5 | 165.7 | 178.2 | 0 | 0 | 0 | 0 | 104.3 | A14 P18 | A14-V16 VanDerWaalsContact C-N 3.3Å; A14-V16 PolarHBondContact O-N 3.07Å; V16-P18 WeakPolarHBondContact O-CD 3.21Å; V16-P18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | V | 57.3 | Low | 61.8 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -60.6 | 115.1 | 168.3 | -178.9 | 0 | 0 | 0 | 0 | 104.7 | A15 S19 | A15-V17 PolarHBondContact O-N 2.94Å; V17-S19 PolarHBondContact O-N 3.36Å | ||
| 18 | P | 49.6 | Very low | 63.7 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -62 | 109.9 | 174.8 | -16 | 30.7 | 0 | 0 | 0 | 106.1 | V16 D20 | V16-P18 WeakPolarHBondContact O-CD 3.21Å; V16-P18 VanDerWaalsContact O-N 3.14Å; P18-D20 PolarHBondContact O-N 2.74Å | ||
| 19 | S | 50.5 | Low | 65 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -70.4 | 69.8 | 168.5 | 173.3 | 0 | 0 | 0 | 0 | 107.6 | V17 R21 | V17-S19 PolarHBondContact O-N 3.36Å; S19-R21 PolarHBondContact O-N 2.96Å | ||
| 20 | D | 51 | Low | 66.6 | Low | 142 Ų | 142 | 113 Ų | 113 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | trans | -86.4 | 35 | 177 | -157.4 | 22.5 | 0 | 0 | 0 | 111.4 | P18 Q22 | P18-D20 PolarHBondContact O-N 2.74Å; D20-Q22 PolarHBondContact O-N 3.18Å | ||
| 21 | R | 57 | Low | 68.6 | Low | 216 Ų | 216 | 109.8 Ų | 109.8 | 82% | 0.815 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -79.6 | 102.2 | 143.2 | -95.7 | -170.7 | -78.1 | -137.2 | -2.8 | 104.2 | S19 E23 | S19-R21 PolarHBondContact O-N 2.96Å; R21-E23 PolarHBondContact O-N 2.98Å |
| 22 | Q | 56.1 | Low | 70.3 | Confident | 183 Ų | 183 | 104.1 Ų | 104.1 | 86% | 0.855 | 60% | 0.598 | S | S | * | * | trans | -42.6 | 108.1 | 160.8 | -93.6 | -178.9 | -21.7 | 0 | 0 | 107.6 | D20 M24 | D20-Q22 PolarHBondContact O-N 3.18Å; Q22-M24 PolarHBondContact O-N 3.41Å | ||
| 23 | E | 66.4 | Low | 72 | Confident | 166 Ų | 166 | 103.2 Ų | 103.2 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | trans | -60.1 | 118.4 | 170.9 | -86 | -169 | 152.8 | 0 | 0 | 106.5 | R21 T25 | R21-E23 PolarHBondContact O-N 2.98Å; E23-T25 HydrophobicContact CB-CG2 4.31Å; E23-T25 PolarHBondContact O-N 2.88Å | ||
| 24 | M | 78.8 | Confident | 73.7 | Confident | 69 Ų | 69 | 103 Ų | 103 | 34% | 0.34 | 58% | 0.582 | S | S | . | * | trans | -65.2 | 109.8 | 172.5 | -170.8 | -179.4 | -75.1 | 0 | 0 | 106.9 | Q22 F38 E73 N76 F77 L80 | Q22-M24 PolarHBondContact O-N 3.41Å; M24-F38 HydrophobicContact CE-CE2 4.32Å; M24-E73 WeakPolarHBondContact CE-O 3.47Å; M24-N76 HydrophobicContact CE-CB 3.83Å; M24-N76 VanDerWaalsContact SD-C 3.52Å; M24-N76 HydrophobicContact SD-CB 4.11Å; M24-F77 HydrophobicContact CE-CB 4.34Å; M24-F77 HydrophobicContact CG-CD2 4.29Å; M24-F77 WeakPolarHBondContact SD-CA 3.24Å; M24-F77 HydrophobicContact SD-CB 3.68Å; M24-F77 HydrophobicContact SD-CD2 4.35Å; M24-F77 PolarHBondContact SD-N 3.04Å; M24-L80 HydrophobicContact CB-CD2 4.08Å; M24-L80 HydrophobicContact CG-CD2 3.68Å; M24-L80 WeakPolarHBondContact O-CD2 3.23Å; M24-L80 HydrophobicContact SD-CB 4.5Å; M24-L80 HydrophobicContact SD-CD2 4.16Å | ||
| 25 | T | 85.9 | Confident | 75.5 | Confident | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -113.3 | 143.6 | 179.6 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | E23 Q27 | E23-T25 HydrophobicContact CB-CG2 4.31Å; E23-T25 PolarHBondContact O-N 2.88Å; T25-Q27 PolarHBondContact O-N 3.09Å; T25-Q27 VanDerWaalsContact O-N 3.14Å; T25-Q27 WeakPolarHBondContact OG1-CG 3.31Å; T25-Q27 PolarHBondContact OG1-NE2 2.78Å | ||
| 26 | L | 91.6 | Very high | 77.3 | Confident | 29 Ų | 29 | 98.2 Ų | 98.2 | 15% | 0.152 | 53% | 0.531 | C | S | . | . | trans | -78 | 99.7 | 175.3 | -66.1 | -179.9 | 0 | 0 | 0 | 109.3 | F36 F77 L80 L81 N84 | L26-F36 HydrophobicContact CB-CD1 3.73Å; L26-F36 HydrophobicContact CB-CE1 4.08Å; L26-F77 HydrophobicContact CD2-CD2 4.24Å; L26-F77 HydrophobicContact CD2-CE2 3.63Å; L26-F77 HydrophobicContact CD2-CZ 4.01Å; L26-L80 HydrophobicContact CD1-CG 4.3Å; L26-L80 HydrophobicContact CD2-CD2 3.86Å; L26-L80 HydrophobicContact CD2-CG 3.9Å; L26-L80 HydrophobicContact CG-CD2 3.91Å; L26-L80 HydrophobicContact CG-CG 3.87Å; L26-L81 HydrophobicContact CD1-CD1 4.18Å; L26-L81 HydrophobicContact CD2-CB 4.06Å; L26-L81 HydrophobicContact CD2-CD1 4.14Å; L26-N84 HydrophobicContact CD1-CB 3.33Å; L26-N84 VanDerWaalsContact CD1-CG 3.45Å | ||
| 27 | Q | 92.8 | Very high | 79 | Confident | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | trans | -113.6 | 150.4 | 176.5 | -59.1 | -58.7 | -28.8 | 0 | 0 | 109.9 | T25 G29 F36 G37 | T25-Q27 PolarHBondContact O-N 3.09Å; T25-Q27 VanDerWaalsContact O-N 3.14Å; T25-Q27 WeakPolarHBondContact OG1-CG 3.31Å; T25-Q27 PolarHBondContact OG1-NE2 2.78Å; Q27-G29 VanDerWaalsContact C-N 3.32Å; Q27-G29 PolarHBondContact O-N 3.2Å; Q27-F36 CarbonylContact O-C 3.17Å; Q27-F36 WeakPolarHBondContact O-CA 3.38Å; Q27-G37 PolarHBondContact O-N 2.77Å | ||
| 28 | R | 89.5 | Confident | 80.8 | Confident | 144 Ų | 144 | 88.8 Ų | 88.8 | 54% | 0.543 | 48% | 0.475 | S | S | . | . | trans | -65.4 | -35.8 | 175.7 | -172.4 | 175.9 | 70.2 | 106.9 | -4.3 | 112.2 | G30 C31 G37 | R28-G30 VanDerWaalsContact C-N 3.27Å; R28-G30 PolarHBondContact O-N 3.35Å; R28-G30 VanDerWaalsContact O-N 3.13Å; R28-C31 WeakPolarHBondContact CD-O 3.41Å; R28-C31 HydrophobicContact CG-CB 4.21Å; R28-C31 WeakPolarHBondContact CG-O 3.45Å; R28-C31 PolarHBondContact NH1-O 3.01Å; R28-C31 WeakPolarHBondContact O-CB 3.46Å; R28-C31 PolarHBondContact O-N 3.08Å; R28-C31 PolarHBondContact O-SG 2.79Å; R28-G37 PolarHBondContact O-N 2.92Å | ||
| 29 | G | 82.3 | Confident | 82.9 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 35.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q27 C31 | Q27-G29 VanDerWaalsContact C-N 3.32Å; Q27-G29 PolarHBondContact O-N 3.2Å; G29-C31 VanDerWaalsContact C-N 3.35Å |
| 30 | G | 88.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 87 Ų | 87 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -4.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R28 | R28-G30 VanDerWaalsContact C-N 3.27Å; R28-G30 PolarHBondContact O-N 3.35Å; R28-G30 VanDerWaalsContact O-N 3.13Å |
| 31 | C | 94.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.007 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 161 | 179 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | R28 G29 W35 C42 | R28-C31 WeakPolarHBondContact CD-O 3.41Å; R28-C31 HydrophobicContact CG-CB 4.21Å; R28-C31 WeakPolarHBondContact CG-O 3.45Å; R28-C31 PolarHBondContact NH1-O 3.01Å; R28-C31 WeakPolarHBondContact O-CB 3.46Å; R28-C31 PolarHBondContact O-N 3.08Å; R28-C31 PolarHBondContact O-SG 2.79Å; G29-C31 VanDerWaalsContact C-N 3.35Å; C31-W35 HydrophobicContact CB-CB 3.62Å; C31-C42 WeakPolarHBondContact CA-SG 3.44Å; C31-C42 HydrophobicContact CB-CB 3.73Å; C31-C42 WeakPolarHBondContact CB-SG 3.35Å; C31-C42 WeakPolarHBondContact SG-CA 3.18Å; C31-C42 WeakPolarHBondContact SG-CB 3.46Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.09Å |
| 32 | P | 93.5 | Very high | 89 | Confident | 43 Ų | 43 | 74.5 Ų | 74.5 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 163.6 | 172 | -22.9 | 33.7 | 0 | 0 | 0 | 112.4 | F34 W35 Y161 | P32-F34 PolarHBondContact O-N 2.03Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.28Å; P32-W35 VanDerWaalsContact O-N 3.09Å; P32-Y161 HydrophobicContact CG-CD2 3.99Å; P32-Y161 HydrophobicContact CG-CE2 4.14Å |
| 33 | P | 92.8 | Very high | 91 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 138.5 | 174.3 | -26.6 | 35.4 | 0 | 0 | 0 | 112 | W35 | P33-W35 PolarHBondContact O-N 3.35Š|
| 34 | F | 92.7 | Very high | 92.5 | Very high | 164 Ų | 164 | 60 Ų | 60 | 72% | 0.719 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 9.6 | -177.8 | -42.4 | -73.2 | 0 | 0 | 0 | 115.9 | P32 | P32-F34 PolarHBondContact O-N 2.03Š|
| 35 | W | 96.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | trans | -108.9 | 149.1 | 168.9 | -66.5 | 77.2 | 0 | 0 | 0 | 110.7 | C31 P32 P33 C42 Y43 K44 Q62 A64 C156 A158 | C31-W35 HydrophobicContact CB-CB 3.62Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.28Å; P32-W35 VanDerWaalsContact O-N 3.09Å; P33-W35 PolarHBondContact O-N 3.35Å; W35-C42 HydrophobicContact CB-CB 4.2Å; W35-C42 HydrophobicContact CD2-CB 4.39Å; W35-C42 HydrophobicContact CE3-CB 3.82Å; W35-Y43 CarbonylContact C-O 3.56Å; W35-Y43 WeakPolarHBondContact CA-O 3.15Å; W35-Y43 VanDerWaalsContact CE3-C 3.46Å; W35-K44 HydrophobicContact CD2-CB 3.58Å; W35-K44 HydrophobicContact CD2-CD 4.03Å; W35-K44 HydrophobicContact CD2-CG 4.43Å; W35-K44 HydrophobicContact CE3-CB 3.54Å; W35-K44 HydrophobicContact CG-CB 4.17Å; W35-K44 HydrophobicContact CG-CD 4.29Å; W35-K44 HydrophobicContact CH2-CB 4Å; W35-K44 HydrophobicContact CZ2-CB 4.05Å; W35-K44 HydrophobicContact CZ2-CD 3.86Å; W35-K44 HydrophobicContact CZ3-CB 3.76Å; W35-Q62 HydrophobicContact CZ2-CB 4.1Å; W35-A64 HydrophobicContact CH2-CB 3.6Å; W35-A64 HydrophobicContact CZ3-CB 4.25Å; W35-C156 HydrophobicContact CH2-CB 3.66Å; W35-C156 HydrophobicContact CZ3-CB 4Å; W35-A158 HydrophobicContact CE3-CB 4.41Å; W35-A158 HydrophobicContact CH2-CB 4.23Å; W35-A158 HydrophobicContact CZ3-CB 3.89Å | ||
| 36 | F | 96.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.7 | -177.1 | -62.7 | -89.5 | 0 | 0 | 0 | 110.2 | L26 Q27 C42 Y43 F77 L81 F85 | L26-F36 HydrophobicContact CB-CD1 3.73Å; L26-F36 HydrophobicContact CB-CE1 4.08Å; Q27-F36 CarbonylContact O-C 3.17Å; Q27-F36 WeakPolarHBondContact O-CA 3.38Å; F36-C42 CarbonylContact O-C 3.52Å; F36-C42 WeakPolarHBondContact O-CA 3.16Å; F36-Y43 PolarHBondContact N-O 2.86Å; F36-Y43 WeakPolarHBondContact O-CD2 3.45Å; F36-Y43 PolarHBondContact O-N 3.42Å; F36-F77 HydrophobicContact CB-CZ 3.89Å; F36-L81 HydrophobicContact CB-CD1 4.25Å; F36-L81 HydrophobicContact CD2-CD1 3.44Å; F36-L81 VanDerWaalsContact CD2-CD1 3.44Å; F36-L81 HydrophobicContact CE2-CD1 4.02Å; F36-L81 HydrophobicContact CG-CD1 3.9Å; F36-F85 HydrophobicContact CD2-CE2 4.22Å; F36-F85 AromaticContact CE2-CE2 3.45Å; F36-F85 HydrophobicContact CE2-CE2 3.45Å; F36-F85 VanDerWaalsContact CE2-CE2 3.45Å; F36-F85 AromaticContact CE2-CZ 3.52Å; F36-F85 HydrophobicContact CE2-CZ 3.52Å; F36-F85 AromaticContact CZ-CE2 3.79Å; F36-F85 HydrophobicContact CZ-CE2 3.79Å; F36-F85 AromaticContact CZ-CZ 3.51Å; F36-F85 HydrophobicContact CZ-CZ 3.51Å |
| 37 | G | 95.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 57 Ų | 57 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q27 R28 R41 | Q27-G37 PolarHBondContact O-N 2.77Å; R28-G37 PolarHBondContact O-N 2.92Å; G37-R41 WeakPolarHBondContact CA-O 3.43Å |
| 38 | F | 95.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 128.4 | 169.2 | 176.4 | -97.6 | 0 | 0 | 0 | 110.2 | M24 G40 R41 Y43 E73 E74 F77 | M24-F38 HydrophobicContact CE-CE2 4.32Å; F38-G40 VanDerWaalsContact C-N 3.28Å; F38-G40 PolarHBondContact O-N 3.46Å; F38-G40 VanDerWaalsContact O-N 3.15Å; F38-R41 PolarHBondContact N-O 3.29Å; F38-R41 PolarHBondContact O-N 2.96Å; F38-Y43 HydrophobicContact CB-CD2 4.15Å; F38-Y43 HydrophobicContact CB-CE2 3.66Å; F38-Y43 HydrophobicContact CD1-CE2 4.31Å; F38-Y43 HydrophobicContact CG-CE2 4.5Å; F38-Y43 WeakPolarHBondContact O-CE2 2.96Å; F38-E73 HydrophobicContact CZ-CB 3.88Å; F38-E74 HydrophobicContact CD1-CG 4.42Å; F38-E74 VanDerWaalsContact CE1-CA 3.46Å; F38-E74 HydrophobicContact CE1-CB 3.8Å; F38-E74 HydrophobicContact CE1-CG 4.18Å; F38-F77 HydrophobicContact CB-CB 4.47Å; F38-F77 HydrophobicContact CB-CD1 3.58Å; F38-F77 HydrophobicContact CB-CD2 3.65Å; F38-F77 HydrophobicContact CB-CE1 3.61Å; F38-F77 HydrophobicContact CB-CE2 3.64Å; F38-F77 HydrophobicContact CB-CG 3.6Å; F38-F77 HydrophobicContact CB-CZ 3.62Å; F38-F77 HydrophobicContact CD1-CB 4.15Å; F38-F77 HydrophobicContact CD1-CD1 4.24Å; F38-F77 HydrophobicContact CD1-CG 4.13Å; F38-F77 HydrophobicContact CD2-CB 3.81Å; F38-F77 HydrophobicContact CD2-CD1 4.47Å; F38-F77 AromaticContact CD2-CD2 3.65Å; F38-F77 HydrophobicContact CD2-CD2 3.65Å; F38-F77 HydrophobicContact CD2-CE2 4.37Å; F38-F77 AromaticContact CD2-CG 3.7Å; F38-F77 HydrophobicContact CD2-CG 3.7Å; F38-F77 HydrophobicContact CE1-CB 4.36Å; F38-F77 HydrophobicContact CE2-CB 4.02Å; F38-F77 HydrophobicContact CE2-CG 4.41Å; F38-F77 HydrophobicContact CG-CB 3.89Å; F38-F77 AromaticContact CG-CD1 3.87Å; F38-F77 HydrophobicContact CG-CD1 3.87Å; F38-F77 AromaticContact CG-CD2 3.8Å; F38-F77 HydrophobicContact CG-CD2 3.8Å; F38-F77 HydrophobicContact CG-CE1 4.39Å; F38-F77 HydrophobicContact CG-CE2 4.32Å; F38-F77 AromaticContact CG-CG 3.54Å; F38-F77 HydrophobicContact CG-CG 3.54Å; F38-F77 HydrophobicContact CZ-CB 4.29Å |
| 39 | N | 93.1 | Very high | 95.1 | Very high | 130 Ų | 130 | 53.9 Ų | 53.9 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 46.4 | 178.4 | -72.9 | -12 | 0 | 0 | 0 | 114.8 | R41 | N39-R41 VanDerWaalsContact C-N 3.3Å; N39-R41 PolarHBondContact O-N 2.57Å |
| 40 | G | 92.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 21.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F38 L160 | F38-G40 VanDerWaalsContact C-N 3.28Å; F38-G40 PolarHBondContact O-N 3.46Å; F38-G40 VanDerWaalsContact O-N 3.15Å; G40-L160 VanDerWaalsContact C-CD1 3.46Å; G40-L160 VanDerWaalsContact O-CD1 3.31Å; G40-L160 WeakPolarHBondContact O-CD1 3.31Å; G40-L160 WeakPolarHBondContact O-CG 3.48Å |
| 41 | R | 96.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.1 | 175 | -61.4 | -64.3 | -173.8 | -144.2 | 4.8 | 110.2 | G37 F38 N39 Y43 | G37-R41 WeakPolarHBondContact CA-O 3.43Å; F38-R41 PolarHBondContact N-O 3.29Å; F38-R41 PolarHBondContact O-N 2.96Å; N39-R41 VanDerWaalsContact C-N 3.3Å; N39-R41 PolarHBondContact O-N 2.57Å; R41-Y43 HydrophobicContact CB-CE2 3.6Å |
| 42 | C | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.5 | 179.5 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | C31 W35 F36 K157 A158 | C31-C42 WeakPolarHBondContact CA-SG 3.44Å; C31-C42 HydrophobicContact CB-CB 3.73Å; C31-C42 WeakPolarHBondContact CB-SG 3.35Å; C31-C42 WeakPolarHBondContact SG-CA 3.18Å; C31-C42 WeakPolarHBondContact SG-CB 3.46Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.09Å; W35-C42 HydrophobicContact CB-CB 4.2Å; W35-C42 HydrophobicContact CD2-CB 4.39Å; W35-C42 HydrophobicContact CE3-CB 3.82Å; F36-C42 CarbonylContact O-C 3.52Å; F36-C42 WeakPolarHBondContact O-CA 3.16Å; C42-K157 CarbonylContact O-C 3.54Å; C42-K157 WeakPolarHBondContact O-CA 3.15Å; C42-A158 HydrophobicContact CB-CB 4.34Å; C42-A158 PolarHBondContact N-O 3.4Å; C42-A158 PolarHBondContact O-N 3.23Å |
| 43 | Y | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.2 | -177.7 | -53.9 | -106 | 0 | 0 | 0 | 110.7 | W35 F36 F38 R41 V67 E74 F77 V78 C156 K157 | W35-Y43 CarbonylContact C-O 3.56Å; W35-Y43 WeakPolarHBondContact CA-O 3.15Å; W35-Y43 VanDerWaalsContact CE3-C 3.46Å; F36-Y43 PolarHBondContact N-O 2.86Å; F36-Y43 WeakPolarHBondContact O-CD2 3.45Å; F36-Y43 PolarHBondContact O-N 3.42Å; F38-Y43 HydrophobicContact CB-CD2 4.15Å; F38-Y43 HydrophobicContact CB-CE2 3.66Å; F38-Y43 HydrophobicContact CD1-CE2 4.31Å; F38-Y43 HydrophobicContact CG-CE2 4.5Å; F38-Y43 WeakPolarHBondContact O-CE2 2.96Å; R41-Y43 HydrophobicContact CB-CE2 3.6Å; Y43-V67 HydrophobicContact CD1-CG2 3.89Å; Y43-V67 HydrophobicContact CE1-CG2 3.85Å; Y43-E74 HydrophobicContact CE1-CG 4.42Å; Y43-E74 PolarHBondContact OH-OE1 2.91Å; Y43-F77 HydrophobicContact CD1-CD1 4.47Å; Y43-F77 HydrophobicContact CD1-CE1 4.25Å; Y43-F77 HydrophobicContact CD2-CD1 4.04Å; Y43-F77 AromaticContact CD2-CE1 3.34Å; Y43-F77 HydrophobicContact CD2-CE1 3.34Å; Y43-F77 HydrophobicContact CD2-CZ 4.11Å; Y43-F77 HydrophobicContact CE2-CD1 4.29Å; Y43-F77 AromaticContact CE2-CE1 3.96Å; Y43-F77 HydrophobicContact CE2-CE1 3.96Å; Y43-F77 HydrophobicContact CG-CD1 4.17Å; Y43-F77 AromaticContact CG-CE1 3.53Å; Y43-F77 HydrophobicContact CG-CE1 3.53Å; Y43-V78 HydrophobicContact CD1-CG2 4.38Å; Y43-C156 CarbonylContact C-O 3.54Å; Y43-C156 VanDerWaalsContact CA-O 3.23Å; Y43-C156 WeakPolarHBondContact CA-O 3.34Å; Y43-K157 HydrophobicContact CD1-CB 4.14Å; Y43-K157 HydrophobicContact CD1-CG 4.06Å; Y43-K157 HydrophobicContact CE1-CB 4.21Å; Y43-K157 HydrophobicContact CE1-CD 3.88Å; Y43-K157 HydrophobicContact CE1-CG 3.69Å |
| 44 | K | 98.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 54 Ų | 54 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 125.2 | 178.9 | -179.3 | 173.1 | 176.6 | -172.8 | 0 | 110.3 | W35 I46 V155 C156 | W35-K44 HydrophobicContact CD2-CB 3.58Å; W35-K44 HydrophobicContact CD2-CD 4.03Å; W35-K44 HydrophobicContact CD2-CG 4.43Å; W35-K44 HydrophobicContact CE3-CB 3.54Å; W35-K44 HydrophobicContact CG-CB 4.17Å; W35-K44 HydrophobicContact CG-CD 4.29Å; W35-K44 HydrophobicContact CH2-CB 4Å; W35-K44 HydrophobicContact CZ2-CB 4.05Å; W35-K44 HydrophobicContact CZ2-CD 3.86Å; W35-K44 HydrophobicContact CZ3-CB 3.76Å; K44-I46 HydrophobicContact CD-CD1 4Å; K44-I46 HydrophobicContact CG-CD1 3.86Å; K44-V155 CarbonylContact O-C 3.22Å; K44-V155 WeakPolarHBondContact O-CA 2.98Å; K44-C156 PolarHBondContact N-O 3.28Å; K44-C156 PolarHBondContact O-N 2.81Å |
| 45 | Y | 98.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.4 | 170.8 | 170.8 | -102.5 | 0 | 0 | 0 | 110.3 | A47 I82 F85 D86 N92 S153 V155 | Y45-A47 HydrophobicContact CE1-CB 3.69Å; Y45-I82 HydrophobicContact CD2-CG1 4.17Å; Y45-F85 HydrophobicContact CD1-CB 3.28Å; Y45-F85 HydrophobicContact CD1-CD2 4.38Å; Y45-F85 HydrophobicContact CD1-CG 4.04Å; Y45-F85 HydrophobicContact CE1-CB 3.63Å; Y45-F85 HydrophobicContact CG-CB 4.09Å; Y45-D86 HydrophobicContact CE1-CB 4.44Å; Y45-D86 WeakPolarHBondContact OH-CB 3.36Å; Y45-N92 WeakPolarHBondContact CE2-OD1 3.42Å; Y45-S153 WeakPolarHBondContact OH-CB 3.46Å; Y45-V155 HydrophobicContact CD2-CG2 4.25Å |
| 46 | I | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.6 | 176.6 | -51.6 | -64 | 0 | 0 | 0 | 108.3 | K44 T48 S153 F154 | K44-I46 HydrophobicContact CD-CD1 4Å; K44-I46 HydrophobicContact CG-CD1 3.86Å; I46-T48 VanDerWaalsContact C-N 3.3Å; I46-T48 PolarHBondContact O-N 2.6Å; I46-S153 WeakPolarHBondContact O-CA 3.35Å; I46-S153 VanDerWaalsContact O-CB 3.24Å; I46-S153 WeakPolarHBondContact O-CB 3.45Å; I46-F154 HydrophobicContact CB-CD1 4.2Å; I46-F154 HydrophobicContact CB-CD2 3.92Å; I46-F154 HydrophobicContact CB-CE1 3.89Å; I46-F154 HydrophobicContact CB-CE2 3.61Å; I46-F154 HydrophobicContact CB-CG 4.21Å; I46-F154 HydrophobicContact CB-CZ 3.59Å; I46-F154 HydrophobicContact CG1-CD2 3.99Å; I46-F154 HydrophobicContact CG1-CE2 3.56Å; I46-F154 HydrophobicContact CG1-CZ 3.97Å; I46-F154 HydrophobicContact CG2-CD1 4.4Å; I46-F154 HydrophobicContact CG2-CE1 3.64Å; I46-F154 HydrophobicContact CG2-CE2 3.91Å; I46-F154 HydrophobicContact CG2-CZ 3.37Å; I46-F154 PolarHBondContact N-O 3.17Å; I46-F154 PolarHBondContact O-N 3.15Å; I46-F154 VanDerWaalsContact O-N 3.09Å |
| 47 | A | 98.3 | Very high | 97.5 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -17.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y45 L49 | Y45-A47 HydrophobicContact CE1-CB 3.69Å; A47-L49 PolarHBondContact O-N 2.58Å |
| 48 | T | 98.4 | Very high | 97.7 | Very high | 84 Ų | 84 | 51 Ų | 51 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 126.7 | -176.8 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | I46 M50 F154 | I46-T48 VanDerWaalsContact C-N 3.3Å; I46-T48 PolarHBondContact O-N 2.6Å; T48-M50 HydrophobicContact CG2-CE 3.76Å; T48-M50 HydrophobicContact CG2-CG 4.3Å; T48-M50 PolarHBondContact O-N 3.29Å; T48-F154 VanDerWaalsContact O-CE1 3.32Å; T48-F154 WeakPolarHBondContact O-CE1 3.17Å |
| 49 | L | 98.6 | Very high | 97.8 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 56% | 0.56 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117 | 179.5 | -52 | -176.8 | 0 | 0 | 0 | 110.6 | A47 K151 Y152 S153 | A47-L49 PolarHBondContact O-N 2.58Å; L49-K151 HydrophobicContact CB-CB 3.92Å; L49-Y152 WeakPolarHBondContact CA-O 3.04Å; L49-S153 VanDerWaalsContact CD2-N 3.3Å |
| 50 | M | 98.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 21% | 0.207 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156 | -175.9 | -72.4 | -177.5 | -179.2 | 0 | 0 | 111.2 | T48 D54 A55 H58 W93 K151 Y152 F154 | T48-M50 HydrophobicContact CG2-CE 3.76Å; T48-M50 HydrophobicContact CG2-CG 4.3Å; T48-M50 PolarHBondContact O-N 3.29Å; M50-D54 HydrophobicContact CB-CB 4.03Å; M50-D54 HydrophobicContact CG-CB 4.39Å; M50-D54 HydrophobicContact SD-CB 4.41Å; M50-A55 HydrophobicContact CB-CB 4.09Å; M50-H58 HydrophobicContact SD-CB 4.1Å; M50-W93 PolarHBondContact O-NE1 3.25Å; M50-K151 WeakPolarHBondContact O-CA 3.38Å; M50-Y152 PolarHBondContact N-O 2.88Å; M50-Y152 PolarHBondContact O-N 2.78Å; M50-Y152 VanDerWaalsContact O-N 3.15Å; M50-F154 HydrophobicContact CB-CD1 4.41Å; M50-F154 HydrophobicContact CB-CE1 3.89Å; M50-F154 HydrophobicContact CG-CE1 3.9Å; M50-F154 HydrophobicContact SD-CE1 3.54Å; M50-F154 VanDerWaalsContact SD-CE1 3.54Å; M50-F154 HydrophobicContact SD-CZ 3.57Å; M50-F154 VanDerWaalsContact SD-CZ 3.57Å |
| 51 | T | 98.7 | Very high | 98.4 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | trans | -62.8 | 158.9 | 166.1 | 71.1 | 0 | 0 | 0 | 0 | 109.3 | A53 D54 A55 D150 K151 | T51-A53 PolarHBondContact O-N 2.7Å; T51-D54 PolarHBondContact O-N 3.22Å; T51-D54 WeakPolarHBondContact OG1-CB 3.44Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 2.92Å; T51-A55 VanDerWaalsContact O-CB 3.3Å; T51-A55 WeakPolarHBondContact O-CB 3.13Å; T51-A55 PolarHBondContact O-N 2.73Å; T51-D150 WeakPolarHBondContact CA-O 3.38Å; T51-K151 HydrophobicContact CG2-CG 4.4Å | ||
| 52 | W | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -41.1 | 180 | -174.6 | 96.2 | 0 | 0 | 0 | 111.8 | A55 E56 L66 W93 I94 C132 C148 | W52-A55 PolarHBondContact O-N 3.38Å; W52-E56 HydrophobicContact CE3-CB 4.49Å; W52-E56 HydrophobicContact CH2-CB 4.47Å; W52-E56 HydrophobicContact CH2-CG 4.44Å; W52-E56 HydrophobicContact CZ3-CB 4.24Å; W52-E56 HydrophobicContact CZ3-CG 4.48Å; W52-E56 WeakPolarHBondContact O-CB 3.39Å; W52-E56 PolarHBondContact O-N 3.25Å; W52-L66 HydrophobicContact CD2-CD1 4.05Å; W52-L66 HydrophobicContact CG-CD1 4.18Å; W52-L66 HydrophobicContact CZ2-CD1 4.1Å; W52-W93 HydrophobicContact CB-CD2 4.2Å; W52-W93 HydrophobicContact CB-CZ2 4.21Å; W52-W93 AromaticContact CD1-CD2 3.95Å; W52-W93 AromaticContact CD1-CE3 3.88Å; W52-I94 PolarHBondContact NE1-O 3.29Å; W52-C132 HydrophobicContact CB-CB 3.92Å; W52-C132 WeakPolarHBondContact CB-SG 3.35Å; W52-C132 HydrophobicContact CD2-CB 4.45Å; W52-C132 VanDerWaalsContact CD2-SG 3.59Å; W52-C132 HydrophobicContact CG-CB 3.73Å; W52-C148 HydrophobicContact CB-CB 4.3Å; W52-C148 PolarHBondContact N-O 2.97Å; W52-C148 VanDerWaalsContact N-O 3.09Å |
| 53 | A | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | T51 A55 E56 Q57 | T51-A53 PolarHBondContact O-N 2.7Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A53-E56 PolarHBondContact O-N 2.76Å; A53-Q57 WeakPolarHBondContact O-CB 3.49Å; A53-Q57 PolarHBondContact O-N 3.12Å |
| 54 | D | 98.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 176.7 | -65.1 | -38.2 | 0 | 0 | 0 | 111.5 | M50 T51 Q57 H58 | M50-D54 HydrophobicContact CB-CB 4.03Å; M50-D54 HydrophobicContact CG-CB 4.39Å; M50-D54 HydrophobicContact SD-CB 4.41Å; T51-D54 PolarHBondContact O-N 3.22Å; T51-D54 WeakPolarHBondContact OG1-CB 3.44Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 2.92Å; D54-Q57 PolarHBondContact O-N 3.45Å; D54-H58 WeakPolarHBondContact O-CB 3.12Å; D54-H58 PolarHBondContact O-N 3.32Å |
| 55 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M50 T51 W52 A53 H58 C59 L66 F154 | M50-A55 HydrophobicContact CB-CB 4.09Å; T51-A55 VanDerWaalsContact O-CB 3.3Å; T51-A55 WeakPolarHBondContact O-CB 3.13Å; T51-A55 PolarHBondContact O-N 2.73Å; W52-A55 PolarHBondContact O-N 3.38Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A55-H58 WeakPolarHBondContact O-CB 3.21Å; A55-H58 PolarHBondContact O-N 2.99Å; A55-C59 PolarHBondContact O-N 2.88Å; A55-C59 PolarHBondContact O-SG 3.3Å; A55-C59 VanDerWaalsContact O-SG 3.4Å; A55-L66 HydrophobicContact CB-CD1 4.35Å; A55-L66 HydrophobicContact CB-CD2 4.03Å; A55-F154 HydrophobicContact CB-CB 4.2Å; A55-F154 HydrophobicContact CB-CD1 3.62Å; A55-F154 HydrophobicContact CB-CD2 3.88Å; A55-F154 HydrophobicContact CB-CE1 3.83Å; A55-F154 HydrophobicContact CB-CE2 4.03Å; A55-F154 HydrophobicContact CB-CG 3.66Å; A55-F154 HydrophobicContact CB-CZ 4.02Å |
| 56 | E | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 172.3 | 179.1 | 58.3 | -153.3 | 0 | 0 | 110.9 | W52 A53 H58 C59 V60 N65 L66 S108 | W52-E56 HydrophobicContact CE3-CB 4.49Å; W52-E56 HydrophobicContact CH2-CB 4.47Å; W52-E56 HydrophobicContact CH2-CG 4.44Å; W52-E56 HydrophobicContact CZ3-CB 4.24Å; W52-E56 HydrophobicContact CZ3-CG 4.48Å; W52-E56 WeakPolarHBondContact O-CB 3.39Å; W52-E56 PolarHBondContact O-N 3.25Å; A53-E56 PolarHBondContact O-N 2.76Å; E56-H58 VanDerWaalsContact C-N 3.26Å; E56-H58 PolarHBondContact O-N 3.49Å; E56-C59 PolarHBondContact O-N 3.38Å; E56-C59 VanDerWaalsContact O-N 3.09Å; E56-V60 HydrophobicContact CG-CG2 4.46Å; E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 3.04Å; E56-V60 WeakPolarHBondContact OE1-CG2 3.15Å; E56-N65 PolarHBondContact OE1-ND2 2.9Å; E56-L66 HydrophobicContact CB-CD1 3.92Å; E56-L66 HydrophobicContact CB-CG 4.24Å; E56-L66 VanDerWaalsContact OE2-CB 3.24Å; E56-L66 WeakPolarHBondContact OE2-CB 3.4Å; E56-L66 WeakPolarHBondContact OE2-CG 3.5Å; E56-L66 PolarHBondContact OE2-N 3.08Å; E56-S108 WeakPolarHBondContact OE2-CB 3.43Å; E56-S108 PolarHBondContact OE2-OG 3.43Å |
| 57 | Q | 98.7 | Very high | 98.3 | Very high | 101 Ų | 101 | 49 Ų | 49 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 177.7 | -171.8 | 61.8 | 62.5 | 0 | 0 | 112.1 | A53 D54 V60 N61 | A53-Q57 WeakPolarHBondContact O-CB 3.49Å; A53-Q57 PolarHBondContact O-N 3.12Å; D54-Q57 PolarHBondContact O-N 3.45Å; Q57-V60 PolarHBondContact O-N 3.22Å; Q57-N61 PolarHBondContact NE2-OD1 2.84Å; Q57-N61 WeakPolarHBondContact O-CB 3.48Å; Q57-N61 PolarHBondContact O-N 2.04Å; Q57-N61 PolarHBondContact O-ND2 3.34Å; Q57-N61 PolarHBondContact O-OD1 2.73Å |
| 58 | H | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 46 Ų | 46 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.9 | -177.8 | 95.4 | 0 | 0 | 0 | 112.4 | M50 D54 A55 E56 Q62 F154 | M50-H58 HydrophobicContact SD-CB 4.1Å; D54-H58 WeakPolarHBondContact O-CB 3.12Å; D54-H58 PolarHBondContact O-N 3.32Å; A55-H58 WeakPolarHBondContact O-CB 3.21Å; A55-H58 PolarHBondContact O-N 2.99Å; E56-H58 VanDerWaalsContact C-N 3.26Å; E56-H58 PolarHBondContact O-N 3.49Å; H58-Q62 PolarHBondContact CD2-NE2 2.93Å; H58-Q62 PolarHBondContact NE2-NE2 3.4Å; H58-Q62 PolarHBondContact O-NE2 3.09Å; H58-F154 HydrophobicContact CB-CE2 4.03Å; H58-F154 HydrophobicContact CB-CZ 3.85Å; H58-F154 AromaticContact CD2-CE2 3.57Å; H58-F154 AromaticContact CD2-CZ 3.63Å; H58-F154 AromaticContact CG-CE2 4Å; H58-F154 AromaticContact CG-CZ 3.73Å |
| 59 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -43.5 | 175.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | A55 E56 N61 Q62 G63 A64 C156 | A55-C59 PolarHBondContact O-N 2.88Å; A55-C59 PolarHBondContact O-SG 3.3Å; A55-C59 VanDerWaalsContact O-SG 3.4Å; E56-C59 PolarHBondContact O-N 3.38Å; E56-C59 VanDerWaalsContact O-N 3.09Å; C59-N61 VanDerWaalsContact C-N 3.31Å; C59-N61 PolarHBondContact O-N 2.85Å; C59-Q62 CarbonylContact O-C 3.57Å; C59-Q62 WeakPolarHBondContact O-CA 3.36Å; C59-Q62 PolarHBondContact O-N 2.84Å; C59-G63 PolarHBondContact O-N 2.81Å; C59-A64 CarbonylContact C-O 3.54Å; C59-A64 HydrophobicContact CB-CB 4.25Å; C59-A64 CarbonylContact O-C 3.53Å; C59-A64 WeakPolarHBondContact O-CA 3.46Å; C59-A64 WeakPolarHBondContact O-CB 3.44Å; C59-A64 PolarHBondContact O-N 2.83Å; C59-C156 WeakPolarHBondContact CA-SG 3.2Å; C59-C156 HydrophobicContact CB-CB 3.77Å; C59-C156 WeakPolarHBondContact CB-SG 3.49Å; C59-C156 WeakPolarHBondContact SG-CA 3.42Å; C59-C156 WeakPolarHBondContact SG-CB 3.45Å; C59-C156 CovalentContact SG-SG 2.04Å; C59-C156 PolarHBondContact SG-SG 3.46Å |
| 60 | V | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | E56 Q57 Q62 G63 A64 | E56-V60 HydrophobicContact CG-CG2 4.46Å; E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 3.04Å; E56-V60 WeakPolarHBondContact OE1-CG2 3.15Å; Q57-V60 PolarHBondContact O-N 3.22Å; V60-Q62 PolarHBondContact O-N 3.25Å; V60-G63 PolarHBondContact O-N 2.97Å; V60-A64 WeakPolarHBondContact CA-O 3.29Å; V60-A64 PolarHBondContact N-O 2.81Å |
| 61 | N | 97.9 | Very high | 98.3 | Very high | 121 Ų | 121 | 38.8 Ų | 38.8 | 65% | 0.647 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14 | 176.3 | -69.6 | -12.3 | 0 | 0 | 0 | 113.7 | Q57 C59 | Q57-N61 PolarHBondContact NE2-OD1 2.84Å; Q57-N61 WeakPolarHBondContact O-CB 3.48Å; Q57-N61 PolarHBondContact O-N 2.04Å; Q57-N61 PolarHBondContact O-ND2 3.34Å; Q57-N61 PolarHBondContact O-OD1 2.73Å; C59-N61 VanDerWaalsContact C-N 3.31Å; C59-N61 PolarHBondContact O-N 2.85Å |
| 62 | Q | 96.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 11.4 | 174.1 | -71.2 | 174.8 | 90.4 | 0 | 0 | 113.1 | W35 H58 C59 V60 | W35-Q62 HydrophobicContact CZ2-CB 4.1Å; H58-Q62 PolarHBondContact CD2-NE2 2.93Å; H58-Q62 PolarHBondContact NE2-NE2 3.4Å; H58-Q62 PolarHBondContact O-NE2 3.09Å; C59-Q62 CarbonylContact O-C 3.57Å; C59-Q62 WeakPolarHBondContact O-CA 3.36Å; C59-Q62 PolarHBondContact O-N 2.84Å; V60-Q62 PolarHBondContact O-N 3.25Å |
| 63 | G | 96.4 | Very high | 98.3 | Very high | 50 Ų | 50 | 45 Ų | 45 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 30.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C59 V60 | C59-G63 PolarHBondContact O-N 2.81Å; V60-G63 PolarHBondContact O-N 2.97Å |
| 64 | A | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | trans | -133.3 | -176.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W35 C59 V60 C156 K157 A158 | W35-A64 HydrophobicContact CH2-CB 3.6Å; W35-A64 HydrophobicContact CZ3-CB 4.25Å; C59-A64 CarbonylContact C-O 3.54Å; C59-A64 HydrophobicContact CB-CB 4.25Å; C59-A64 CarbonylContact O-C 3.53Å; C59-A64 WeakPolarHBondContact O-CA 3.46Å; C59-A64 WeakPolarHBondContact O-CB 3.44Å; C59-A64 PolarHBondContact O-N 2.83Å; V60-A64 WeakPolarHBondContact CA-O 3.29Å; V60-A64 PolarHBondContact N-O 2.81Å; A64-C156 HydrophobicContact CB-CB 4.2Å; A64-K157 WeakPolarHBondContact CB-O 3.37Å; A64-A158 HydrophobicContact CB-CB 3.9Å | ||
| 65 | N | 98.7 | Very high | 98.3 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 169.8 | 167.3 | -64.3 | 98.2 | 0 | 0 | 0 | 108.8 | E56 D109 C156 K157 | E56-N65 PolarHBondContact OE1-ND2 2.9Å; N65-D109 HydrophobicContact CB-CB 3.74Å; N65-C156 CarbonylContact O-C 3.49Å; N65-C156 VanDerWaalsContact O-CA 3.27Å; N65-C156 WeakPolarHBondContact O-CA 3.36Å; N65-K157 PolarHBondContact N-O 3.34Å; N65-K157 VanDerWaalsContact N-O 3.08Å; N65-K157 PolarHBondContact O-N 3.18Å |
| 66 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 145.7 | 161.4 | -77.1 | 170.7 | 0 | 0 | 0 | 109.8 | W52 A55 E56 S68 W93 G95 F154 | W52-L66 HydrophobicContact CD2-CD1 4.05Å; W52-L66 HydrophobicContact CG-CD1 4.18Å; W52-L66 HydrophobicContact CZ2-CD1 4.1Å; A55-L66 HydrophobicContact CB-CD1 4.35Å; A55-L66 HydrophobicContact CB-CD2 4.03Å; E56-L66 HydrophobicContact CB-CD1 3.92Å; E56-L66 HydrophobicContact CB-CG 4.24Å; E56-L66 VanDerWaalsContact OE2-CB 3.24Å; E56-L66 WeakPolarHBondContact OE2-CB 3.4Å; E56-L66 WeakPolarHBondContact OE2-CG 3.5Å; E56-L66 PolarHBondContact OE2-N 3.08Å; L66-S68 PolarHBondContact O-N 2.94Å; L66-W93 HydrophobicContact CD1-CB 4.48Å; L66-W93 HydrophobicContact CD2-CB 4.24Å; L66-G95 VanDerWaalsContact CB-CA 3.41Å; L66-F154 HydrophobicContact CD2-CB 3.68Å; L66-F154 HydrophobicContact CD2-CD2 3.81Å; L66-F154 HydrophobicContact CD2-CG 4.08Å |
| 67 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 126.2 | -171.1 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | Y43 I69 V78 I94 G95 W107 V155 K157 | Y43-V67 HydrophobicContact CD1-CG2 3.89Å; Y43-V67 HydrophobicContact CE1-CG2 3.85Å; V67-I69 HydrophobicContact CG1-CD1 4.47Å; V67-I69 HydrophobicContact CG1-CG1 4.49Å; V67-I69 HydrophobicContact CG2-CG1 4.05Å; V67-V78 HydrophobicContact CG2-CG2 3.84Å; V67-I94 HydrophobicContact CG1-CB 4.01Å; V67-I94 HydrophobicContact CG1-CG2 3.7Å; V67-G95 PolarHBondContact O-N 3.13Å; V67-W107 VanDerWaalsContact O-CZ3 3.29Å; V67-W107 WeakPolarHBondContact O-CZ3 3.4Å; V67-V155 HydrophobicContact CB-CB 4.22Å; V67-V155 HydrophobicContact CB-CG1 4.06Å; V67-V155 WeakPolarHBondContact CB-O 3.4Å; V67-V155 HydrophobicContact CG1-CB 3.82Å; V67-V155 HydrophobicContact CG1-CG1 4.13Å; V67-V155 HydrophobicContact CG2-CG1 4.48Å; V67-V155 PolarHBondContact N-O 3.07Å; V67-K157 HydrophobicContact CB-CB 4.12Å; V67-K157 HydrophobicContact CG2-CB 4.05Å; V67-K157 HydrophobicContact CG2-CD 4.17Å |
| 68 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -88.7 | 141.8 | 161.2 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | L66 H70 W107 D109 S111 K157 | L66-S68 PolarHBondContact O-N 2.94Å; S68-H70 WeakPolarHBondContact CB-NE2 3.1Å; S68-H70 PolarHBondContact OG-NE2 2.86Å; S68-W107 VanDerWaalsContact CA-CE3 3.48Å; S68-D109 VanDerWaalsContact CB-OD2 3.29Å; S68-D109 WeakPolarHBondContact CB-OD2 2.95Å; S68-D109 PolarHBondContact OG-OD2 3.03Å; S68-S111 WeakPolarHBondContact CB-OG 3.42Å; S68-K157 PolarHBondContact O-NZ 2.95Å; S68-K157 WeakPolarHBondContact OG-CD 3.49Å; S68-K157 PolarHBondContact OG-NZ 3.03Å |
| 69 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -126.9 | 124.2 | -176.6 | -54.8 | -179.3 | 0 | 0 | 0 | 109.7 | V67 E74 E75 V78 I94 W107 F115 W143 | V67-I69 HydrophobicContact CG1-CD1 4.47Å; V67-I69 HydrophobicContact CG1-CG1 4.49Å; V67-I69 HydrophobicContact CG2-CG1 4.05Å; I69-E74 WeakPolarHBondContact CA-OE2 3.39Å; I69-E74 HydrophobicContact CG2-CB 4.24Å; I69-E74 HydrophobicContact CG2-CG 4.28Å; I69-E75 WeakPolarHBondContact CD1-OE2 3.38Å; I69-E75 HydrophobicContact CG2-CB 3.97Å; I69-V78 HydrophobicContact CD1-CB 4.48Å; I69-V78 HydrophobicContact CD1-CG1 4.45Å; I69-V78 HydrophobicContact CD1-CG2 4.24Å; I69-I94 HydrophobicContact CD1-CG2 4.21Å; I69-W107 HydrophobicContact CB-CH2 4.09Å; I69-W107 HydrophobicContact CB-CZ2 4.28Å; I69-W107 HydrophobicContact CG1-CH2 4.38Å; I69-W107 VanDerWaalsContact O-CZ2 3.24Å; I69-W107 WeakPolarHBondContact O-CZ2 3.33Å; I69-F115 HydrophobicContact CG2-CD1 3.96Å; I69-F115 HydrophobicContact CG2-CE1 3.96Å; I69-W143 HydrophobicContact CB-CZ2 3.99Å; I69-W143 HydrophobicContact CD1-CZ2 4.47Å; I69-W143 HydrophobicContact CG2-CZ2 4.1Å | ||
| 70 | H | 98.2 | Very high | 98.1 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | trans | -123.7 | -2.9 | -170.4 | -58.1 | -66.5 | 0 | 0 | 0 | 113.9 | S68 E74 W107 S111 R112 N114 | S68-H70 WeakPolarHBondContact CB-NE2 3.1Å; S68-H70 PolarHBondContact OG-NE2 2.86Å; H70-E74 IonicContact CD2-OE2 2.76Å; H70-E74 IonicContact CG-OE2 3.61Å; H70-E74 PolarHBondContact N-OE2 3.44Å; H70-W107 AromaticContact CE1-CD1 3.81Å; H70-W107 AromaticContact CE1-NE1 3.73Å; H70-S111 PolarHBondContact CE1-OG 3Å; H70-S111 PolarHBondContact NE2-OG 3.35Å; H70-R112 PolarHBondContact CE1-O 3.15Å; H70-R112 PolarHBondContact ND1-O 3.21Å; H70-N114 PolarHBondContact ND1-OD1 3.08Å | ||
| 71 | S | 98.4 | Very high | 98 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -155.2 | 165.9 | 175 | 89.4 | 0 | 0 | 0 | 0 | 111.9 | E73 E74 E75 | S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.46Å; S71-E73 PolarHBondContact O-N 2.98Å; S71-E73 PolarHBondContact OG-N 2.67Å; S71-E73 PolarHBondContact OG-OE2 3.14Å; S71-E74 PolarHBondContact O-N 3.26Å; S71-E74 PolarHBondContact OG-N 2.99Å; S71-E75 PolarHBondContact O-N 3.21Å |
| 72 | L | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 27 Ų | 27 | 44% | 0.435 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.6 | -33.8 | 175.4 | -179.1 | 61.1 | 0 | 0 | 0 | 111.7 | E75 N76 F115 L117 | L72-E75 PolarHBondContact O-N 3.18Å; L72-N76 WeakPolarHBondContact O-CB 3.4Å; L72-N76 PolarHBondContact O-N 3.39Å; L72-N76 PolarHBondContact O-ND2 2.99Å; L72-F115 HydrophobicContact CB-CE2 4.4Å; L72-F115 HydrophobicContact CB-CZ 4.33Å; L72-L117 HydrophobicContact CD1-CD2 4.48Å |
| 73 | E | 98.1 | Very high | 98 | Very high | 106 Ų | 106 | 31.1 Ų | 31.1 | 50% | 0.495 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 176.8 | -56.6 | 71.5 | -155.8 | 0 | 0 | 111 | M24 F38 S71 N76 F77 | M24-E73 WeakPolarHBondContact CE-O 3.47Å; F38-E73 HydrophobicContact CZ-CB 3.88Å; S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.46Å; S71-E73 PolarHBondContact O-N 2.98Å; S71-E73 PolarHBondContact OG-N 2.67Å; S71-E73 PolarHBondContact OG-OE2 3.14Å; E73-N76 PolarHBondContact O-N 2.82Å; E73-F77 PolarHBondContact O-N 2.89Å |
| 74 | E | 98.4 | Very high | 98 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.3 | -172.5 | 171.2 | -152 | 0 | 0 | 111.7 | F38 Y43 I69 H70 S71 N76 F77 V78 K157 | F38-E74 HydrophobicContact CD1-CG 4.42Å; F38-E74 VanDerWaalsContact CE1-CA 3.46Å; F38-E74 HydrophobicContact CE1-CB 3.8Å; F38-E74 HydrophobicContact CE1-CG 4.18Å; Y43-E74 HydrophobicContact CE1-CG 4.42Å; Y43-E74 PolarHBondContact OH-OE1 2.91Å; I69-E74 WeakPolarHBondContact CA-OE2 3.39Å; I69-E74 HydrophobicContact CG2-CB 4.24Å; I69-E74 HydrophobicContact CG2-CG 4.28Å; H70-E74 IonicContact CD2-OE2 2.76Å; H70-E74 IonicContact CG-OE2 3.61Å; H70-E74 PolarHBondContact N-OE2 3.44Å; S71-E74 PolarHBondContact O-N 3.26Å; S71-E74 PolarHBondContact OG-N 2.99Å; E74-N76 VanDerWaalsContact C-N 3.34Å; E74-N76 PolarHBondContact O-N 3.42Å; E74-F77 WeakPolarHBondContact O-CB 3.06Å; E74-F77 PolarHBondContact O-N 3.06Å; E74-V78 WeakPolarHBondContact O-CG2 3.27Å; E74-V78 PolarHBondContact O-N 2.68Å; E74-K157 WeakPolarHBondContact OE1-CE 3.3Å; E74-K157 IonicContact OE1-NZ 2.6Å; E74-K157 PolarHBondContact OE1-NZ 3.11Å; E74-K157 IonicContact OE2-NZ 3.89Å |
| 75 | E | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.2 | -49.3 | 172.4 | -179.4 | 74.2 | -155.8 | 0 | 0 | 111.2 | I69 S71 L72 F77 V78 K79 L117 T135 W143 | I69-E75 WeakPolarHBondContact CD1-OE2 3.38Å; I69-E75 HydrophobicContact CG2-CB 3.97Å; S71-E75 PolarHBondContact O-N 3.21Å; L72-E75 PolarHBondContact O-N 3.18Å; E75-F77 PolarHBondContact O-N 3.37Å; E75-V78 PolarHBondContact O-N 3.28Å; E75-V78 VanDerWaalsContact O-N 3.13Å; E75-K79 HydrophobicContact CG-CD 4.14Å; E75-K79 HydrophobicContact CG-CG 4.43Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.46Å; E75-K79 WeakPolarHBondContact OE1-CE 3.23Å; E75-K79 IonicContact OE1-NZ 2.74Å; E75-L117 HydrophobicContact CB-CD2 4.41Å; E75-L117 HydrophobicContact CG-CD2 3.56Å; E75-T135 PolarHBondContact OE1-OG1 2.99Å; E75-W143 PolarHBondContact OE2-NE1 2.99Å |
| 76 | N | 97.9 | Very high | 97.9 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61 | -35.6 | -179.3 | -73.6 | -25.7 | 0 | 0 | 0 | 111.8 | M24 L72 E73 E74 K79 L80 | M24-N76 HydrophobicContact CE-CB 3.83Å; M24-N76 VanDerWaalsContact SD-C 3.52Å; M24-N76 HydrophobicContact SD-CB 4.11Å; L72-N76 WeakPolarHBondContact O-CB 3.4Å; L72-N76 PolarHBondContact O-N 3.39Å; L72-N76 PolarHBondContact O-ND2 2.99Å; E73-N76 PolarHBondContact O-N 2.82Å; E74-N76 VanDerWaalsContact C-N 3.34Å; E74-N76 PolarHBondContact O-N 3.42Å; N76-K79 PolarHBondContact O-N 2.72Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 PolarHBondContact O-N 3.21Å |
| 77 | F | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 174 | 175.9 | -93.1 | 0 | 0 | 0 | 112 | M24 L26 F36 F38 Y43 E73 E74 E75 K79 L80 L81 | M24-F77 HydrophobicContact CE-CB 4.34Å; M24-F77 HydrophobicContact CG-CD2 4.29Å; M24-F77 WeakPolarHBondContact SD-CA 3.24Å; M24-F77 HydrophobicContact SD-CB 3.68Å; M24-F77 HydrophobicContact SD-CD2 4.35Å; M24-F77 PolarHBondContact SD-N 3.04Å; L26-F77 HydrophobicContact CD2-CD2 4.24Å; L26-F77 HydrophobicContact CD2-CE2 3.63Å; L26-F77 HydrophobicContact CD2-CZ 4.01Å; F36-F77 HydrophobicContact CB-CZ 3.89Å; F38-F77 HydrophobicContact CB-CB 4.47Å; F38-F77 HydrophobicContact CB-CD1 3.58Å; F38-F77 HydrophobicContact CB-CD2 3.65Å; F38-F77 HydrophobicContact CB-CE1 3.61Å; F38-F77 HydrophobicContact CB-CE2 3.64Å; F38-F77 HydrophobicContact CB-CG 3.6Å; F38-F77 HydrophobicContact CB-CZ 3.62Å; F38-F77 HydrophobicContact CD1-CB 4.15Å; F38-F77 HydrophobicContact CD1-CD1 4.24Å; F38-F77 HydrophobicContact CD1-CG 4.13Å; F38-F77 HydrophobicContact CD2-CB 3.81Å; F38-F77 HydrophobicContact CD2-CD1 4.47Å; F38-F77 AromaticContact CD2-CD2 3.65Å; F38-F77 HydrophobicContact CD2-CD2 3.65Å; F38-F77 HydrophobicContact CD2-CE2 4.37Å; F38-F77 AromaticContact CD2-CG 3.7Å; F38-F77 HydrophobicContact CD2-CG 3.7Å; F38-F77 HydrophobicContact CE1-CB 4.36Å; F38-F77 HydrophobicContact CE2-CB 4.02Å; F38-F77 HydrophobicContact CE2-CG 4.41Å; F38-F77 HydrophobicContact CG-CB 3.89Å; F38-F77 AromaticContact CG-CD1 3.87Å; F38-F77 HydrophobicContact CG-CD1 3.87Å; F38-F77 AromaticContact CG-CD2 3.8Å; F38-F77 HydrophobicContact CG-CD2 3.8Å; F38-F77 HydrophobicContact CG-CE1 4.39Å; F38-F77 HydrophobicContact CG-CE2 4.32Å; F38-F77 AromaticContact CG-CG 3.54Å; F38-F77 HydrophobicContact CG-CG 3.54Å; F38-F77 HydrophobicContact CZ-CB 4.29Å; Y43-F77 HydrophobicContact CD1-CD1 4.47Å; Y43-F77 HydrophobicContact CD1-CE1 4.25Å; Y43-F77 HydrophobicContact CD2-CD1 4.04Å; Y43-F77 AromaticContact CD2-CE1 3.34Å; Y43-F77 HydrophobicContact CD2-CE1 3.34Å; Y43-F77 HydrophobicContact CD2-CZ 4.11Å; Y43-F77 HydrophobicContact CE2-CD1 4.29Å; Y43-F77 AromaticContact CE2-CE1 3.96Å; Y43-F77 HydrophobicContact CE2-CE1 3.96Å; Y43-F77 HydrophobicContact CG-CD1 4.17Å; Y43-F77 AromaticContact CG-CE1 3.53Å; Y43-F77 HydrophobicContact CG-CE1 3.53Å; E73-F77 PolarHBondContact O-N 2.89Å; E74-F77 WeakPolarHBondContact O-CB 3.06Å; E74-F77 PolarHBondContact O-N 3.06Å; E75-F77 PolarHBondContact O-N 3.37Å; F77-K79 VanDerWaalsContact C-N 3.32Å; F77-K79 PolarHBondContact O-N 3.43Å; F77-L80 PolarHBondContact O-N 3.22Å; F77-L81 WeakPolarHBondContact O-CB 3.47Å; F77-L81 PolarHBondContact O-N 3.27Å |
| 78 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | Y43 V67 I69 E74 E75 L81 I82 V155 | Y43-V78 HydrophobicContact CD1-CG2 4.38Å; V67-V78 HydrophobicContact CG2-CG2 3.84Å; I69-V78 HydrophobicContact CD1-CB 4.48Å; I69-V78 HydrophobicContact CD1-CG1 4.45Å; I69-V78 HydrophobicContact CD1-CG2 4.24Å; E74-V78 WeakPolarHBondContact O-CG2 3.27Å; E74-V78 PolarHBondContact O-N 2.68Å; E75-V78 PolarHBondContact O-N 3.28Å; E75-V78 VanDerWaalsContact O-N 3.13Å; V78-L81 WeakPolarHBondContact O-CB 3.42Å; V78-L81 PolarHBondContact O-N 3.49Å; V78-I82 HydrophobicContact CG1-CD1 3.85Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 2.88Å; V78-V155 HydrophobicContact CG1-CB 4.47Å; V78-V155 HydrophobicContact CG1-CG2 4.15Å |
| 79 | K | 97.8 | Very high | 97 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.1 | -69.9 | -179.3 | 169.6 | 162.4 | 0 | 113 | E75 N76 F77 L81 I82 R83 N136 K141 | E75-K79 HydrophobicContact CG-CD 4.14Å; E75-K79 HydrophobicContact CG-CG 4.43Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.46Å; E75-K79 WeakPolarHBondContact OE1-CE 3.23Å; E75-K79 IonicContact OE1-NZ 2.74Å; N76-K79 PolarHBondContact O-N 2.72Å; F77-K79 VanDerWaalsContact C-N 3.32Å; F77-K79 PolarHBondContact O-N 3.43Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.09Å; K79-I82 PolarHBondContact O-N 2.82Å; K79-R83 WeakPolarHBondContact O-CB 3.05Å; K79-R83 PolarHBondContact O-N 3.48Å; K79-N136 WeakPolarHBondContact CE-OD1 3.31Å; K79-N136 WeakPolarHBondContact CG-OD1 3.39Å; K79-K141 HydrophobicContact CD-CB 4.45Å; K79-K141 WeakPolarHBondContact CE-O 3.33Å; K79-K141 PolarHBondContact NZ-O 3.3Å |
| 80 | L | 97.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.5 | 173.6 | 66.4 | 0 | 0 | 0 | 110.8 | M24 L26 N76 F77 N84 | M24-L80 HydrophobicContact CB-CD2 4.08Å; M24-L80 HydrophobicContact CG-CD2 3.68Å; M24-L80 WeakPolarHBondContact O-CD2 3.23Å; M24-L80 HydrophobicContact SD-CB 4.5Å; M24-L80 HydrophobicContact SD-CD2 4.16Å; L26-L80 HydrophobicContact CD1-CG 4.3Å; L26-L80 HydrophobicContact CD2-CD2 3.86Å; L26-L80 HydrophobicContact CD2-CG 3.9Å; L26-L80 HydrophobicContact CG-CD2 3.91Å; L26-L80 HydrophobicContact CG-CG 3.87Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 PolarHBondContact O-N 3.21Å; F77-L80 PolarHBondContact O-N 3.22Å; L80-N84 WeakPolarHBondContact O-CB 3.46Å; L80-N84 PolarHBondContact O-N 2.02Å; L80-N84 VanDerWaalsContact O-N 3.08Å |
| 81 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 178 | -179.9 | 63.3 | 0 | 0 | 0 | 111.5 | L26 F36 F77 V78 K79 N84 F85 V155 | L26-L81 HydrophobicContact CD1-CD1 4.18Å; L26-L81 HydrophobicContact CD2-CB 4.06Å; L26-L81 HydrophobicContact CD2-CD1 4.14Å; F36-L81 HydrophobicContact CB-CD1 4.25Å; F36-L81 HydrophobicContact CD2-CD1 3.44Å; F36-L81 VanDerWaalsContact CD2-CD1 3.44Å; F36-L81 HydrophobicContact CE2-CD1 4.02Å; F36-L81 HydrophobicContact CG-CD1 3.9Å; F77-L81 WeakPolarHBondContact O-CB 3.47Å; F77-L81 PolarHBondContact O-N 3.27Å; V78-L81 WeakPolarHBondContact O-CB 3.42Å; V78-L81 PolarHBondContact O-N 3.49Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.09Å; L81-N84 PolarHBondContact O-N 3.37Å; L81-F85 HydrophobicContact CD1-CD2 3.89Å; L81-F85 HydrophobicContact CD1-CE2 3.63Å; L81-F85 WeakPolarHBondContact O-CD2 3.31Å; L81-V155 HydrophobicContact CD2-CG1 4.06Å |
| 82 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -57.2 | 176.2 | -69 | 160.9 | 0 | 0 | 0 | 109.9 | Y45 V78 K79 N84 F85 D86 N92 T135 V155 | Y45-I82 HydrophobicContact CD2-CG1 4.17Å; V78-I82 HydrophobicContact CG1-CD1 3.85Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 2.88Å; K79-I82 PolarHBondContact O-N 2.82Å; I82-N84 PolarHBondContact O-N 2.88Å; I82-N84 VanDerWaalsContact O-N 3.07Å; I82-F85 CarbonylContact O-C 3.44Å; I82-F85 PolarHBondContact O-N 3.08Å; I82-D86 HydrophobicContact CG2-CB 4.32Å; I82-D86 PolarHBondContact O-N 3.03Å; I82-N92 HydrophobicContact CD1-CB 3.84Å; I82-N92 HydrophobicContact CG1-CB 4.5Å; I82-N92 WeakPolarHBondContact CG2-ND2 3.49Å; I82-T135 HydrophobicContact CD1-CG2 4.11Å; I82-V155 HydrophobicContact CD1-CG2 4.16Å; I82-V155 HydrophobicContact CG1-CG2 3.85Å |
| 83 | R | 96.6 | Very high | 96.9 | Very high | 141 Ų | 141 | 45 Ų | 45 | 53% | 0.532 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.7 | -30.4 | -177.5 | -175.8 | -179.4 | 67.4 | -136.7 | 2.8 | 113.7 | K79 F85 | K79-R83 WeakPolarHBondContact O-CB 3.05Å; K79-R83 PolarHBondContact O-N 3.48Å; R83-F85 VanDerWaalsContact C-N 3.32Å |
| 84 | N | 96.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 40 Ų | 40 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68 | -31.9 | 177.7 | -176.4 | 83.5 | 0 | 0 | 0 | 112.9 | L26 L80 L81 I82 | L26-N84 HydrophobicContact CD1-CB 3.33Å; L26-N84 VanDerWaalsContact CD1-CG 3.45Å; L80-N84 WeakPolarHBondContact O-CB 3.46Å; L80-N84 PolarHBondContact O-N 2.02Å; L80-N84 VanDerWaalsContact O-N 3.08Å; L81-N84 PolarHBondContact O-N 3.37Å; I82-N84 PolarHBondContact O-N 2.88Å; I82-N84 VanDerWaalsContact O-N 3.07Å |
| 85 | F | 96.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 39.3 Ų | 39.3 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -110.9 | -16.7 | -176.3 | -68.7 | -69.5 | 0 | 0 | 0 | 114.1 | F36 Y45 L81 I82 R83 | F36-F85 HydrophobicContact CD2-CE2 4.22Å; F36-F85 AromaticContact CE2-CE2 3.45Å; F36-F85 HydrophobicContact CE2-CE2 3.45Å; F36-F85 VanDerWaalsContact CE2-CE2 3.45Å; F36-F85 AromaticContact CE2-CZ 3.52Å; F36-F85 HydrophobicContact CE2-CZ 3.52Å; F36-F85 AromaticContact CZ-CE2 3.79Å; F36-F85 HydrophobicContact CZ-CE2 3.79Å; F36-F85 AromaticContact CZ-CZ 3.51Å; F36-F85 HydrophobicContact CZ-CZ 3.51Å; Y45-F85 HydrophobicContact CD1-CB 3.28Å; Y45-F85 HydrophobicContact CD1-CD2 4.38Å; Y45-F85 HydrophobicContact CD1-CG 4.04Å; Y45-F85 HydrophobicContact CE1-CB 3.63Å; Y45-F85 HydrophobicContact CG-CB 4.09Å; L81-F85 HydrophobicContact CD1-CD2 3.89Å; L81-F85 HydrophobicContact CD1-CE2 3.63Å; L81-F85 WeakPolarHBondContact O-CD2 3.31Å; I82-F85 CarbonylContact O-C 3.44Å; I82-F85 PolarHBondContact O-N 3.08Å; R83-F85 VanDerWaalsContact C-N 3.32Å |
| 86 | D | 96.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | trans | -127.8 | 100.3 | 174.2 | 179.3 | 14.6 | 0 | 0 | 0 | 109.8 | Y45 I82 A88 D89 G90 | Y45-D86 HydrophobicContact CE1-CB 4.44Å; Y45-D86 WeakPolarHBondContact OH-CB 3.36Å; I82-D86 HydrophobicContact CG2-CB 4.32Å; I82-D86 PolarHBondContact O-N 3.03Å; D86-A88 PolarHBondContact O-N 3.39Å; D86-A88 WeakPolarHBondContact OD1-CB 3.11Å; D86-A88 PolarHBondContact OD1-N 3.49Å; D86-D89 WeakPolarHBondContact O-CA 3.29Å; D86-D89 PolarHBondContact O-N 3.13Å; D86-G90 PolarHBondContact OD2-N 3.05Å | ||
| 87 | H | 91.3 | Very high | 96.8 | Very high | 173 Ų | 173 | 36.1 Ų | 36.1 | 80% | 0.801 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.1 | 178.6 | -60.6 | -46.1 | 0 | 0 | 0 | 113.4 | ||
| 88 | A | 93.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 70% | 0.702 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | D86 G90 | D86-A88 PolarHBondContact O-N 3.39Å; D86-A88 WeakPolarHBondContact OD1-CB 3.11Å; D86-A88 PolarHBondContact OD1-N 3.49Å; A88-G90 PolarHBondContact O-N 2.88Å |
| 89 | D | 92.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | trans | 50.2 | 48.3 | -179.9 | -171.7 | 46.4 | 0 | 0 | 0 | 111.3 | D86 N136 K141 | D86-D89 WeakPolarHBondContact O-CA 3.29Å; D86-D89 PolarHBondContact O-N 3.13Å; D89-N136 PolarHBondContact OD1-ND2 3.26Å; D89-K141 PolarHBondContact O-NZ 2.68Å; D89-K141 WeakPolarHBondContact OD2-CE 3.29Å; D89-K141 IonicContact OD2-NZ 3.69Å; D89-K141 PolarHBondContact OD2-NZ 2.96Å | ||
| 90 | G | 95.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | trans | -69.7 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D86 A88 N92 N136 | D86-G90 PolarHBondContact OD2-N 3.05Å; A88-G90 PolarHBondContact O-N 2.88Å; G90-N92 PolarHBondContact O-ND2 3.44Å; G90-N136 VanDerWaalsContact O-CB 3.27Å; G90-N136 WeakPolarHBondContact O-CB 3.21Å; G90-N136 PolarHBondContact O-ND2 2.86Å | ||
| 91 | T | 97.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | trans | -74.7 | 142.5 | 175.5 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | H134 T135 F137 Y152 | T91-H134 WeakPolarHBondContact CB-ND1 3.43Å; T91-H134 VanDerWaalsContact CG2-ND1 3.34Å; T91-H134 WeakPolarHBondContact CG2-ND1 3.49Å; T91-T135 VanDerWaalsContact CA-O 3.28Å; T91-T135 WeakPolarHBondContact CA-O 3.47Å; T91-F137 HydrophobicContact CG2-CB 4.25Å; T91-F137 HydrophobicContact CG2-CD2 4.33Å; T91-Y152 WeakPolarHBondContact OG1-CD1 3.08Å; T91-Y152 WeakPolarHBondContact OG1-CE1 3.12Å | ||
| 92 | N | 98.7 | Very high | 92 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.7 | -170.6 | -83.1 | -98.3 | 0 | 0 | 0 | 111.7 | Y45 I82 G90 I94 H134 T135 S153 F154 | Y45-N92 WeakPolarHBondContact CE2-OD1 3.42Å; I82-N92 HydrophobicContact CD1-CB 3.84Å; I82-N92 HydrophobicContact CG1-CB 4.5Å; I82-N92 WeakPolarHBondContact CG2-ND2 3.49Å; G90-N92 PolarHBondContact O-ND2 3.44Å; N92-I94 PolarHBondContact O-N 2.89Å; N92-H134 CarbonylContact O-C 3.45Å; N92-H134 WeakPolarHBondContact O-CA 3.24Å; N92-H134 VanDerWaalsContact O-CB 3.24Å; N92-H134 WeakPolarHBondContact O-CB 3.45Å; N92-T135 HydrophobicContact CB-CG2 4.3Å; N92-T135 PolarHBondContact N-O 3.49Å; N92-T135 PolarHBondContact O-N 2.94Å; N92-S153 CarbonylContact C-O 3.5Å; N92-S153 WeakPolarHBondContact CA-O 3.36Å; N92-S153 VanDerWaalsContact OD1-C 3.24Å; N92-S153 WeakPolarHBondContact OD1-CB 3.24Å; N92-S153 PolarHBondContact OD1-OG 3.12Å; N92-S153 VanDerWaalsContact OD1-OG 3.04Å; N92-F154 PolarHBondContact OD1-N 2.76Å |
| 93 | W | 98.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 138.8 | 172.4 | -67.4 | 131.6 | 0 | 0 | 0 | 111.6 | M50 W52 L66 C132 H134 K146 D150 Y152 S153 F154 | M50-W93 PolarHBondContact O-NE1 3.25Å; W52-W93 HydrophobicContact CB-CD2 4.2Å; W52-W93 HydrophobicContact CB-CZ2 4.21Å; W52-W93 AromaticContact CD1-CD2 3.95Å; W52-W93 AromaticContact CD1-CE3 3.88Å; L66-W93 HydrophobicContact CD1-CB 4.48Å; L66-W93 HydrophobicContact CD2-CB 4.24Å; W93-C132 HydrophobicContact CE3-CB 4.39Å; W93-C132 HydrophobicContact CH2-CB 4Å; W93-C132 HydrophobicContact CZ3-CB 3.77Å; W93-H134 HydrophobicContact CE3-CB 3.83Å; W93-H134 HydrophobicContact CZ3-CB 4.13Å; W93-K146 HydrophobicContact CH2-CB 3.76Å; W93-K146 HydrophobicContact CH2-CG 4.1Å; W93-K146 HydrophobicContact CZ3-CB 3.84Å; W93-D150 HydrophobicContact CZ2-CB 4.32Å; W93-D150 WeakPolarHBondContact CZ2-O 3.31Å; W93-Y152 AromaticContact CD2-CD2 3.94Å; W93-Y152 HydrophobicContact CD2-CD2 3.94Å; W93-Y152 AromaticContact CE2-CD2 3.41Å; W93-Y152 VanDerWaalsContact CE2-CD2 3.41Å; W93-Y152 HydrophobicContact CE3-CD2 4.33Å; W93-Y152 AromaticContact CH2-CD2 3.8Å; W93-Y152 HydrophobicContact CH2-CD2 3.8Å; W93-Y152 AromaticContact CH2-CE2 3.82Å; W93-Y152 HydrophobicContact CH2-CE2 3.82Å; W93-Y152 AromaticContact CZ2-CD2 3.36Å; W93-Y152 HydrophobicContact CZ2-CD2 3.36Å; W93-Y152 AromaticContact CZ2-CE2 3.75Å; W93-Y152 HydrophobicContact CZ2-CE2 3.75Å; W93-Y152 HydrophobicContact CZ3-CD2 4.26Å; W93-Y152 HydrophobicContact CZ3-CE2 4.4Å; W93-Y152 AromaticContact NE1-CD2 3.78Å; W93-S153 PolarHBondContact N-O 3.38Å; W93-F154 HydrophobicContact CB-CB 3.85Å |
| 94 | I | 98.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 166.7 | 167.7 | 64.9 | 172.9 | 0 | 0 | 0 | 109 | W52 V67 I69 N92 L96 W107 V133 T135 W143 | W52-I94 PolarHBondContact NE1-O 3.29Å; V67-I94 HydrophobicContact CG1-CB 4.01Å; V67-I94 HydrophobicContact CG1-CG2 3.7Å; I69-I94 HydrophobicContact CD1-CG2 4.21Å; N92-I94 PolarHBondContact O-N 2.89Å; I94-L96 HydrophobicContact CD1-CB 4.21Å; I94-L96 HydrophobicContact CG1-CB 4.25Å; I94-L96 PolarHBondContact O-N 2.92Å; I94-L96 VanDerWaalsContact O-N 3.08Å; I94-W107 HydrophobicContact CB-CZ3 4.24Å; I94-W107 HydrophobicContact CD1-CH2 3.81Å; I94-W107 HydrophobicContact CD1-CZ3 3.95Å; I94-W107 HydrophobicContact CG1-CZ3 4.15Å; I94-V133 HydrophobicContact CD1-CB 4.28Å; I94-V133 HydrophobicContact CD1-CG1 3.66Å; I94-V133 HydrophobicContact CG1-CB 4.02Å; I94-V133 HydrophobicContact CG1-CG1 3.89Å; I94-V133 VanDerWaalsContact CG1-O 3.29Å; I94-V133 WeakPolarHBondContact CG1-O 3.36Å; I94-V133 PolarHBondContact N-O 3.47Å; I94-T135 HydrophobicContact CG2-CG2 3.81Å; I94-W143 HydrophobicContact CD1-CD2 4.02Å; I94-W143 HydrophobicContact CD1-CE3 4.47Å; I94-W143 HydrophobicContact CD1-CG 4.19Å |
| 95 | G | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 5.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L66 V67 W107 S108 | L66-G95 VanDerWaalsContact CB-CA 3.41Å; V67-G95 PolarHBondContact O-N 3.13Å; G95-W107 VanDerWaalsContact C-CE3 3.41Å; G95-W107 CarbonylContact O-C 3.58Å; G95-W107 WeakPolarHBondContact O-CA 3.45Å; G95-S108 PolarHBondContact O-N 2.88Å |
| 96 | L | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.7 | -177.1 | -162.4 | 68.5 | 0 | 0 | 0 | 109.6 | I94 Y105 F106 W107 F113 W118 V133 W143 | I94-L96 HydrophobicContact CD1-CB 4.21Å; I94-L96 HydrophobicContact CG1-CB 4.25Å; I94-L96 PolarHBondContact O-N 2.92Å; I94-L96 VanDerWaalsContact O-N 3.08Å; L96-Y105 HydrophobicContact CD2-CD1 4.08Å; L96-Y105 HydrophobicContact CD2-CG 4.3Å; L96-Y105 HydrophobicContact CG-CD1 3.79Å; L96-Y105 HydrophobicContact CG-CG 4.2Å; L96-F106 WeakPolarHBondContact CA-O 3.32Å; L96-W107 HydrophobicContact CB-CD2 4.37Å; L96-W107 HydrophobicContact CB-CE3 3.72Å; L96-W107 HydrophobicContact CB-CH2 3.82Å; L96-W107 HydrophobicContact CB-CZ2 4.44Å; L96-W107 HydrophobicContact CB-CZ3 3.44Å; L96-W107 VanDerWaalsContact CB-CZ3 3.44Å; L96-W107 HydrophobicContact CD1-CD2 3.73Å; L96-W107 HydrophobicContact CD1-CE3 3.97Å; L96-W107 HydrophobicContact CD1-CG 4.26Å; L96-W107 HydrophobicContact CD1-CH2 4.2Å; L96-W107 HydrophobicContact CD1-CZ2 3.97Å; L96-W107 HydrophobicContact CD1-CZ3 4.22Å; L96-W107 HydrophobicContact CD2-CH2 4.46Å; L96-W107 HydrophobicContact CG-CE3 4.47Å; L96-W107 HydrophobicContact CG-CH2 4.39Å; L96-W107 HydrophobicContact CG-CZ3 4.36Å; L96-W107 VanDerWaalsContact N-CE3 3.27Å; L96-W107 VanDerWaalsContact N-CZ3 3.32Å; L96-F113 HydrophobicContact CD1-CD2 3.52Å; L96-F113 HydrophobicContact CD1-CE2 3.67Å; L96-F113 HydrophobicContact CD1-CG 4.16Å; L96-F113 HydrophobicContact CD1-CZ 4.41Å; L96-F113 HydrophobicContact CD2-CD2 4.35Å; L96-F113 HydrophobicContact CD2-CE2 3.64Å; L96-F113 HydrophobicContact CD2-CZ 4.03Å; L96-F113 HydrophobicContact CG-CE2 4.33Å; L96-W118 HydrophobicContact CD2-CH2 4Å; L96-W118 HydrophobicContact CD2-CZ2 3.9Å; L96-V133 HydrophobicContact CB-CB 3.87Å; L96-V133 HydrophobicContact CB-CG1 4.36Å; L96-V133 HydrophobicContact CB-CG2 3.88Å; L96-V133 HydrophobicContact CD2-CB 4.48Å; L96-V133 HydrophobicContact CD2-CG1 4.35Å; L96-V133 HydrophobicContact CD2-CG2 4.05Å; L96-V133 HydrophobicContact CG-CG2 4.07Å; L96-V133 WeakPolarHBondContact O-CB 3.15Å; L96-V133 WeakPolarHBondContact O-CG2 3.42Å; L96-V133 PolarHBondContact O-N 3.32Å; L96-V133 VanDerWaalsContact O-N 3.13Å; L96-W143 HydrophobicContact CD2-CE3 4.02Å; L96-W143 HydrophobicContact CD2-CZ3 3.86Å |
| 97 | S | 95.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153 | 177 | 178.7 | 0 | 0 | 0 | 0 | 111 | A99 Y105 F106 P131 | S97-A99 VanDerWaalsContact OG-CB 3.23Å; S97-A99 WeakPolarHBondContact OG-CB 3.17Å; S97-A99 PolarHBondContact OG-N 2.91Å; S97-A99 VanDerWaalsContact OG-N 3.08Å; S97-Y105 CarbonylContact O-C 3.56Å; S97-Y105 VanDerWaalsContact O-CA 3.31Å; S97-Y105 WeakPolarHBondContact O-CA 3.4Å; S97-F106 PolarHBondContact N-O 2.9Å; S97-F106 WeakPolarHBondContact O-CD1 3.06Å; S97-F106 WeakPolarHBondContact O-CE1 3.01Å; S97-F106 PolarHBondContact O-N 2.95Å; S97-P131 CarbonylContact C-O 3.47Å; S97-P131 WeakPolarHBondContact CA-O 3.24Å; S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.49Å; S97-P131 PolarHBondContact OG-O 2.79Å |
| 98 | D | 91.5 | Very high | 90.4 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | trans | -115.2 | 18.6 | 167.7 | 74.8 | -14.8 | 0 | 0 | 0 | 112 | Q100 K101 Y105 P131 | D98-Q100 PolarHBondContact O-N 3.28Å; D98-K101 PolarHBondContact O-N 3.07Å; D98-Y105 HydrophobicContact CB-CD1 3.86Å; D98-Y105 HydrophobicContact CB-CD2 4.45Å; D98-Y105 HydrophobicContact CB-CE1 3.95Å; D98-Y105 HydrophobicContact CB-CG 4.12Å; D98-P131 PolarHBondContact N-O 2.61Å; D98-P131 WeakPolarHBondContact OD1-CA 3.39Å; D98-P131 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 99 | A | 83.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S97 K101 P131 | S97-A99 VanDerWaalsContact OG-CB 3.23Å; S97-A99 WeakPolarHBondContact OG-CB 3.17Å; S97-A99 PolarHBondContact OG-N 2.91Å; S97-A99 VanDerWaalsContact OG-N 3.08Å; A99-K101 PolarHBondContact O-N 3.3Å; A99-P131 HydrophobicContact CB-CB 4.05Å |
| 100 | Q | 77.2 | Confident | 90.7 | Very high | 131 Ų | 131 | 47.8 Ų | 47.8 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.2 | 171 | -71.2 | -177.9 | 33.4 | 0 | 0 | 113.4 | D98 D102 F106 | D98-Q100 PolarHBondContact O-N 3.28Å; Q100-D102 PolarHBondContact O-N 3.19Å; Q100-F106 HydrophobicContact CB-CD1 4.37Å; Q100-F106 HydrophobicContact CB-CE1 3.82Å; Q100-F106 HydrophobicContact CG-CD1 4.14Å; Q100-F106 HydrophobicContact CG-CE1 3.43Å; Q100-F106 VanDerWaalsContact CG-CE1 3.43Å; Q100-F106 HydrophobicContact CG-CZ 3.7Å |
| 101 | K | 64.4 | Low | 90.8 | Very high | 195 Ų | 195 | 48.2 Ų | 48.2 | 85% | 0.848 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 60.5 | 23.2 | 168 | -59.5 | -175.9 | -179.3 | -178.5 | 0 | 115.7 | D98 A99 | D98-K101 PolarHBondContact O-N 3.07Å; A99-K101 PolarHBondContact O-N 3.3Å |
| 102 | D | 72.1 | Confident | 90.6 | Very high | 73 Ų | 73 | 57 Ų | 57 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -97.9 | 5.3 | 168 | 67.6 | -8.8 | 0 | 0 | 0 | 112.5 | Q100 R104 | Q100-D102 PolarHBondContact O-N 3.19Å; D102-R104 VanDerWaalsContact C-N 3.28Å; D102-R104 WeakPolarHBondContact OD1-CB 3.45Å; D102-R104 PolarHBondContact OD1-N 2.83Å; D102-R104 IonicContact OD2-CZ 3.15Å; D102-R104 IonicContact OD2-NE 2.75Å; D102-R104 PolarHBondContact OD2-NE 3.17Å; D102-R104 IonicContact OD2-NH2 2.7Å; D102-R104 PolarHBondContact OD2-NH2 2.8Å |
| 103 | G | 72.5 | Confident | 90.4 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 62% | 0.619 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 74.7 | 13.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 104 | R | 86.6 | Confident | 90.3 | Very high | 175 Ų | 175 | 65.9 Ų | 65.9 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | trans | -115.2 | 127.6 | -179.3 | -60.3 | -174.7 | -65.4 | 179.4 | -1.2 | 111.2 | D102 | D102-R104 VanDerWaalsContact C-N 3.28Å; D102-R104 WeakPolarHBondContact OD1-CB 3.45Å; D102-R104 PolarHBondContact OD1-N 2.83Å; D102-R104 IonicContact OD2-CZ 3.15Å; D102-R104 IonicContact OD2-NE 2.75Å; D102-R104 PolarHBondContact OD2-NE 3.17Å; D102-R104 IonicContact OD2-NH2 2.7Å; D102-R104 PolarHBondContact OD2-NH2 2.8Å | ||
| 105 | Y | 93.3 | Very high | 90.2 | Very high | 35 Ų | 35 | 67.8 Ų | 67.8 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | trans | -70.9 | 139.6 | 171.8 | -73.1 | -81.3 | 0 | 0 | 0 | 111.9 | L96 S97 D98 W118 P123 V133 | L96-Y105 HydrophobicContact CD2-CD1 4.08Å; L96-Y105 HydrophobicContact CD2-CG 4.3Å; L96-Y105 HydrophobicContact CG-CD1 3.79Å; L96-Y105 HydrophobicContact CG-CG 4.2Å; S97-Y105 CarbonylContact O-C 3.56Å; S97-Y105 VanDerWaalsContact O-CA 3.31Å; S97-Y105 WeakPolarHBondContact O-CA 3.4Å; D98-Y105 HydrophobicContact CB-CD1 3.86Å; D98-Y105 HydrophobicContact CB-CD2 4.45Å; D98-Y105 HydrophobicContact CB-CE1 3.95Å; D98-Y105 HydrophobicContact CB-CG 4.12Å; Y105-W118 HydrophobicContact CD1-CH2 4.29Å; Y105-W118 HydrophobicContact CD1-CZ2 4.39Å; Y105-W118 AromaticContact CD2-CZ2 3.97Å; Y105-W118 HydrophobicContact CD2-CZ2 3.97Å; Y105-W118 AromaticContact CE1-CH2 3.75Å; Y105-W118 HydrophobicContact CE1-CH2 3.75Å; Y105-W118 HydrophobicContact CE1-CZ2 4.17Å; Y105-W118 AromaticContact CE2-CH2 3.98Å; Y105-W118 HydrophobicContact CE2-CH2 3.98Å; Y105-W118 AromaticContact CE2-CZ2 3.71Å; Y105-W118 HydrophobicContact CE2-CZ2 3.71Å; Y105-W118 HydrophobicContact CG-CZ2 4.3Å; Y105-W118 AromaticContact CZ-CH2 3.57Å; Y105-W118 AromaticContact CZ-CZ2 3.81Å; Y105-P123 HydrophobicContact CE2-CB 4.44Å; Y105-P123 HydrophobicContact CE2-CG 3.98Å; Y105-P123 WeakPolarHBondContact OH-CB 3.3Å; Y105-V133 HydrophobicContact CD1-CG2 4.04Å; Y105-V133 HydrophobicContact CE1-CG2 3.57Å | ||
| 106 | F | 94.6 | Very high | 90.2 | Very high | 51 Ų | 51 | 74.8 Ų | 74.8 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.3 | 173.9 | 64.5 | -85.7 | 0 | 0 | 0 | 110.3 | L96 S97 Q100 | L96-F106 WeakPolarHBondContact CA-O 3.32Å; S97-F106 PolarHBondContact N-O 2.9Å; S97-F106 WeakPolarHBondContact O-CD1 3.06Å; S97-F106 WeakPolarHBondContact O-CE1 3.01Å; S97-F106 PolarHBondContact O-N 2.95Å; Q100-F106 HydrophobicContact CB-CD1 4.37Å; Q100-F106 HydrophobicContact CB-CE1 3.82Å; Q100-F106 HydrophobicContact CG-CD1 4.14Å; Q100-F106 HydrophobicContact CG-CE1 3.43Å; Q100-F106 VanDerWaalsContact CG-CE1 3.43Å; Q100-F106 HydrophobicContact CG-CZ 3.7Å |
| 107 | W | 97.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 77 Ų | 77 | 1% | 0.011 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137 | 170 | -66.8 | 117 | 0 | 0 | 0 | 110.3 | V67 S68 I69 H70 I94 G95 L96 D109 G110 S111 F113 W143 | V67-W107 VanDerWaalsContact O-CZ3 3.29Å; V67-W107 WeakPolarHBondContact O-CZ3 3.4Å; S68-W107 VanDerWaalsContact CA-CE3 3.48Å; I69-W107 HydrophobicContact CB-CH2 4.09Å; I69-W107 HydrophobicContact CB-CZ2 4.28Å; I69-W107 HydrophobicContact CG1-CH2 4.38Å; I69-W107 VanDerWaalsContact O-CZ2 3.24Å; I69-W107 WeakPolarHBondContact O-CZ2 3.33Å; H70-W107 AromaticContact CE1-CD1 3.81Å; H70-W107 AromaticContact CE1-NE1 3.73Å; I94-W107 HydrophobicContact CB-CZ3 4.24Å; I94-W107 HydrophobicContact CD1-CH2 3.81Å; I94-W107 HydrophobicContact CD1-CZ3 3.95Å; I94-W107 HydrophobicContact CG1-CZ3 4.15Å; G95-W107 VanDerWaalsContact C-CE3 3.41Å; G95-W107 CarbonylContact O-C 3.58Å; G95-W107 WeakPolarHBondContact O-CA 3.45Å; L96-W107 HydrophobicContact CB-CD2 4.37Å; L96-W107 HydrophobicContact CB-CE3 3.72Å; L96-W107 HydrophobicContact CB-CH2 3.82Å; L96-W107 HydrophobicContact CB-CZ2 4.44Å; L96-W107 HydrophobicContact CB-CZ3 3.44Å; L96-W107 VanDerWaalsContact CB-CZ3 3.44Å; L96-W107 HydrophobicContact CD1-CD2 3.73Å; L96-W107 HydrophobicContact CD1-CE3 3.97Å; L96-W107 HydrophobicContact CD1-CG 4.26Å; L96-W107 HydrophobicContact CD1-CH2 4.2Å; L96-W107 HydrophobicContact CD1-CZ2 3.97Å; L96-W107 HydrophobicContact CD1-CZ3 4.22Å; L96-W107 HydrophobicContact CD2-CH2 4.46Å; L96-W107 HydrophobicContact CG-CE3 4.47Å; L96-W107 HydrophobicContact CG-CH2 4.39Å; L96-W107 HydrophobicContact CG-CZ3 4.36Å; L96-W107 VanDerWaalsContact N-CE3 3.27Å; L96-W107 VanDerWaalsContact N-CZ3 3.32Å; W107-D109 WeakPolarHBondContact CB-OD1 3.01Å; W107-D109 PolarHBondContact O-N 3.05Å; W107-G110 PolarHBondContact O-N 2.87Å; W107-S111 WeakPolarHBondContact CB-OG 3.46Å; W107-S111 VanDerWaalsContact CD1-OG 3.28Å; W107-F113 HydrophobicContact CZ2-CD2 4.48Å; W107-F113 AromaticContact NE1-CD2 3.9Å; W107-W143 HydrophobicContact CH2-CH2 4.06Å; W107-W143 HydrophobicContact CH2-CZ2 4.42Å; W107-W143 HydrophobicContact CH2-CZ3 4.48Å; W107-W143 AromaticContact CZ2-CH2 3.94Å; W107-W143 HydrophobicContact CZ2-CH2 3.94Å; W107-W143 HydrophobicContact CZ2-CZ3 4.42Å |
| 108 | S | 97.3 | Very high | 90.2 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | 179.5 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | E56 G95 G110 | E56-S108 WeakPolarHBondContact OE2-CB 3.43Å; E56-S108 PolarHBondContact OE2-OG 3.43Å; G95-S108 PolarHBondContact O-N 2.88Å; S108-G110 PolarHBondContact O-N 3.39Å |
| 109 | D | 96.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 79.3 Ų | 79.3 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.2 | 175.2 | 76.6 | -12.9 | 0 | 0 | 0 | 114.2 | N65 S68 W107 S111 | N65-D109 HydrophobicContact CB-CB 3.74Å; S68-D109 VanDerWaalsContact CB-OD2 3.29Å; S68-D109 WeakPolarHBondContact CB-OD2 2.95Å; S68-D109 PolarHBondContact OG-OD2 3.03Å; W107-D109 WeakPolarHBondContact CB-OD1 3.01Å; W107-D109 PolarHBondContact O-N 3.05Å; D109-S111 VanDerWaalsContact C-N 3.25Å; D109-S111 PolarHBondContact O-N 3.15Å; D109-S111 WeakPolarHBondContact OD1-CB 3.36Å; D109-S111 PolarHBondContact OD1-N 2.87Å; D109-S111 PolarHBondContact OD1-OG 3.22Å; D109-S111 PolarHBondContact OD2-OG 3.09Å |
| 110 | G | 95.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 83.3 Ų | 83.3 | 71% | 0.711 | 42% | 0.422 | S | S | * | . | trans | 74.9 | 6.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W107 S108 | W107-G110 PolarHBondContact O-N 2.87Å; S108-G110 PolarHBondContact O-N 3.39Å | ||
| 111 | S | 96.6 | Very high | 91.9 | Very high | 34 Ų | 34 | 80 Ų | 80 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | trans | -70.3 | 161.9 | 175.6 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | S68 H70 W107 D109 | S68-S111 WeakPolarHBondContact CB-OG 3.42Å; H70-S111 PolarHBondContact CE1-OG 3Å; H70-S111 PolarHBondContact NE2-OG 3.35Å; W107-S111 WeakPolarHBondContact CB-OG 3.46Å; W107-S111 VanDerWaalsContact CD1-OG 3.28Å; D109-S111 VanDerWaalsContact C-N 3.25Å; D109-S111 PolarHBondContact O-N 3.15Å; D109-S111 WeakPolarHBondContact OD1-CB 3.36Å; D109-S111 PolarHBondContact OD1-N 2.87Å; D109-S111 PolarHBondContact OD1-OG 3.22Å; D109-S111 PolarHBondContact OD2-OG 3.09Å | ||
| 112 | R | 95.4 | Very high | 93.3 | Very high | 218 Ų | 218 | 72 Ų | 72 | 82% | 0.823 | 39% | 0.388 | S | S | * | . | trans | -71.3 | 133.9 | -177.7 | -62.8 | 179.8 | 73.9 | -176 | 3.3 | 110.5 | H70 N114 | H70-R112 PolarHBondContact CE1-O 3.15Å; H70-R112 PolarHBondContact ND1-O 3.21Å; R112-N114 PolarHBondContact O-N 3.04Å; R112-N114 VanDerWaalsContact O-N 3.12Å; R112-N114 PolarHBondContact O-OD1 2.84Å | ||
| 113 | F | 94.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 71 Ų | 71 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | trans | -77 | 93.9 | 168.1 | -175.9 | -132.8 | 0 | 0 | 0 | 110.1 | L96 W107 F115 K116 W143 | L96-F113 HydrophobicContact CD1-CD2 3.52Å; L96-F113 HydrophobicContact CD1-CE2 3.67Å; L96-F113 HydrophobicContact CD1-CG 4.16Å; L96-F113 HydrophobicContact CD1-CZ 4.41Å; L96-F113 HydrophobicContact CD2-CD2 4.35Å; L96-F113 HydrophobicContact CD2-CE2 3.64Å; L96-F113 HydrophobicContact CD2-CZ 4.03Å; L96-F113 HydrophobicContact CG-CE2 4.33Å; W107-F113 HydrophobicContact CZ2-CD2 4.48Å; W107-F113 AromaticContact NE1-CD2 3.9Å; F113-F115 WeakPolarHBondContact CE2-O 3.29Å; F113-K116 HydrophobicContact CZ-CB 4.33Å; F113-W143 HydrophobicContact CE2-CZ3 4.12Å | ||
| 114 | N | 95.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | trans | -126.8 | -2.2 | -172 | 66.7 | -25 | 0 | 0 | 0 | 114.2 | H70 R112 | H70-N114 PolarHBondContact ND1-OD1 3.08Å; R112-N114 PolarHBondContact O-N 3.04Å; R112-N114 VanDerWaalsContact O-N 3.12Å; R112-N114 PolarHBondContact O-OD1 2.84Å | ||
| 115 | F | 97.7 | Very high | 95.2 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | trans | -137.5 | 145.5 | -179.9 | 175.7 | -101.1 | 0 | 0 | 0 | 108.9 | I69 L72 F113 L117 W143 | I69-F115 HydrophobicContact CG2-CD1 3.96Å; I69-F115 HydrophobicContact CG2-CE1 3.96Å; L72-F115 HydrophobicContact CB-CE2 4.4Å; L72-F115 HydrophobicContact CB-CZ 4.33Å; F113-F115 WeakPolarHBondContact CE2-O 3.29Å; F115-L117 HydrophobicContact CE1-CB 3.96Å; F115-L117 HydrophobicContact CZ-CB 4.1Å; F115-L117 HydrophobicContact CZ-CD1 4.38Å; F115-W143 AromaticContact CD1-CH2 3.69Å; F115-W143 HydrophobicContact CD1-CH2 3.69Å; F115-W143 AromaticContact CD1-CZ2 3.78Å; F115-W143 HydrophobicContact CD1-CZ2 3.78Å; F115-W143 HydrophobicContact CE1-CH2 4.08Å; F115-W143 AromaticContact CE1-CZ2 3.75Å; F115-W143 HydrophobicContact CE1-CZ2 3.75Å; F115-W143 WeakPolarHBondContact O-CH2 3.24Å | ||
| 116 | K | 96.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 72.8 Ų | 72.8 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | trans | -142.2 | 139.9 | 178 | 64.1 | -176.5 | -177.4 | 176.5 | 0 | 111.1 | F113 W143 | F113-K116 HydrophobicContact CZ-CB 4.33Å; K116-W143 VanDerWaalsContact CA-CZ3 3.47Å; K116-W143 HydrophobicContact CB-CZ3 4.22Å | ||
| 117 | L | 97.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 74.3 Ų | 74.3 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | trans | -138 | 44.8 | 174.1 | -162.4 | 73 | 0 | 0 | 0 | 111.5 | L72 E75 F115 N119 G142 W143 | L72-L117 HydrophobicContact CD1-CD2 4.48Å; E75-L117 HydrophobicContact CB-CD2 4.41Å; E75-L117 HydrophobicContact CG-CD2 3.56Å; F115-L117 HydrophobicContact CE1-CB 3.96Å; F115-L117 HydrophobicContact CZ-CB 4.1Å; F115-L117 HydrophobicContact CZ-CD1 4.38Å; L117-N119 PolarHBondContact O-N 3.2Å; L117-G142 CarbonylContact O-C 3.52Å; L117-G142 VanDerWaalsContact O-CA 3.31Å; L117-G142 WeakPolarHBondContact O-CA 3.38Å; L117-W143 HydrophobicContact CB-CD2 4.11Å; L117-W143 HydrophobicContact CB-CG 4.44Å; L117-W143 HydrophobicContact CB-CZ2 4.06Å; L117-W143 PolarHBondContact O-N 2.91Å | ||
| 118 | W | 97.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 19% | 0.193 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -51.8 | 136.7 | 173.8 | -61.6 | 118.4 | 0 | 0 | 0 | 111.5 | L96 Y105 E122 P123 V133 W143 D145 | L96-W118 HydrophobicContact CD2-CH2 4Å; L96-W118 HydrophobicContact CD2-CZ2 3.9Å; Y105-W118 HydrophobicContact CD1-CH2 4.29Å; Y105-W118 HydrophobicContact CD1-CZ2 4.39Å; Y105-W118 AromaticContact CD2-CZ2 3.97Å; Y105-W118 HydrophobicContact CD2-CZ2 3.97Å; Y105-W118 AromaticContact CE1-CH2 3.75Å; Y105-W118 HydrophobicContact CE1-CH2 3.75Å; Y105-W118 HydrophobicContact CE1-CZ2 4.17Å; Y105-W118 AromaticContact CE2-CH2 3.98Å; Y105-W118 HydrophobicContact CE2-CH2 3.98Å; Y105-W118 AromaticContact CE2-CZ2 3.71Å; Y105-W118 HydrophobicContact CE2-CZ2 3.71Å; Y105-W118 HydrophobicContact CG-CZ2 4.3Å; Y105-W118 AromaticContact CZ-CH2 3.57Å; Y105-W118 AromaticContact CZ-CZ2 3.81Å; W118-E122 HydrophobicContact CB-CB 4.34Å; W118-E122 WeakPolarHBondContact CB-O 3.39Å; W118-E122 HydrophobicContact CE3-CB 4.07Å; W118-P123 HydrophobicContact CD2-CG 4.48Å; W118-P123 HydrophobicContact CE3-CB 4.35Å; W118-P123 HydrophobicContact CH2-CB 4.15Å; W118-P123 HydrophobicContact CH2-CG 4.35Å; W118-P123 HydrophobicContact CZ2-CB 4.49Å; W118-P123 HydrophobicContact CZ2-CG 4.2Å; W118-P123 HydrophobicContact CZ3-CB 4.08Å; W118-V133 HydrophobicContact CH2-CG1 4.01Å; W118-V133 HydrophobicContact CH2-CG2 3.63Å; W118-V133 HydrophobicContact CZ3-CG1 3.78Å; W118-V133 HydrophobicContact CZ3-CG2 4.06Å; W118-W143 HydrophobicContact CD2-CB 4.42Å; W118-W143 HydrophobicContact CD2-CE3 4.41Å; W118-W143 HydrophobicContact CE3-CB 3.72Å; W118-W143 HydrophobicContact CZ3-CB 4.06Å; W118-D145 HydrophobicContact CZ3-CB 4.41Å |
| 119 | N | 97.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 79.2 Ų | 79.2 | 11% | 0.112 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 158.1 | 168.4 | -172.3 | 61.5 | 0 | 0 | 0 | 109.8 | L117 G121 E122 F137 W143 | L117-N119 PolarHBondContact O-N 3.2Å; N119-G121 PolarHBondContact O-N 2.86Å; N119-G121 VanDerWaalsContact O-N 3.11Å; N119-E122 HydrophobicContact CB-CG 4.01Å; N119-E122 WeakPolarHBondContact O-CB 3.39Å; N119-E122 PolarHBondContact O-N 2.74Å; N119-F137 HydrophobicContact CB-CD1 3.95Å; N119-W143 WeakPolarHBondContact CB-O 3.29Å; N119-W143 PolarHBondContact N-O 2.98Å |
| 120 | T | 96.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 76.9 Ų | 76.9 | 82% | 0.816 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 121 | 178 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 121 | G | 93.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 74.7 Ų | 74.7 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -9.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N119 N124 | N119-G121 PolarHBondContact O-N 2.86Å; N119-G121 VanDerWaalsContact O-N 3.11Å; G121-N124 WeakPolarHBondContact O-CB 3.35Å |
| 122 | E | 94.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | trans | -101.7 | 154.4 | -176.9 | -50.9 | -55.1 | 169.8 | 0 | 0 | 113.4 | W118 N119 N124 N144 | W118-E122 HydrophobicContact CB-CB 4.34Å; W118-E122 WeakPolarHBondContact CB-O 3.39Å; W118-E122 HydrophobicContact CE3-CB 4.07Å; N119-E122 HydrophobicContact CB-CG 4.01Å; N119-E122 WeakPolarHBondContact O-CB 3.39Å; N119-E122 PolarHBondContact O-N 2.74Å; E122-N124 VanDerWaalsContact CD-ND2 3.34Å; E122-N124 PolarHBondContact OE1-ND2 3.08Å; E122-N124 VanDerWaalsContact OE2-CB 3.3Å; E122-N124 WeakPolarHBondContact OE2-CB 3.12Å; E122-N124 PolarHBondContact OE2-N 2.94Å; E122-N124 PolarHBondContact OE2-ND2 3.38Å; E122-N144 HydrophobicContact CG-CB 4.03Å; E122-N144 WeakPolarHBondContact CG-OD1 3.09Å; E122-N144 PolarHBondContact OE1-OD1 2.97Å; E122-N144 PolarHBondContact OE2-OD1 2.99Å; E122-N144 VanDerWaalsContact OE2-OD1 3.12Å | ||
| 123 | P | 92.4 | Very high | 91.9 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | S | Bend | cis | -75.6 | 144.3 | -7.4 | 31.9 | -33.5 | 0 | 0 | 0 | 112.3 | Y105 W118 D145 | Y105-P123 HydrophobicContact CE2-CB 4.44Å; Y105-P123 HydrophobicContact CE2-CG 3.98Å; Y105-P123 WeakPolarHBondContact OH-CB 3.3Å; W118-P123 HydrophobicContact CD2-CG 4.48Å; W118-P123 HydrophobicContact CE3-CB 4.35Å; W118-P123 HydrophobicContact CH2-CB 4.15Å; W118-P123 HydrophobicContact CH2-CG 4.35Å; W118-P123 HydrophobicContact CZ2-CB 4.49Å; W118-P123 HydrophobicContact CZ2-CG 4.2Å; W118-P123 HydrophobicContact CZ3-CB 4.08Å; P123-D145 WeakPolarHBondContact CA-OD1 3.28Å; P123-D145 HydrophobicContact CB-CB 3.81Å; P123-D145 WeakPolarHBondContact CB-OD1 3.44Å |
| 124 | N | 91.3 | Very high | 92 | Very high | 72 Ų | 72 | 59 Ų | 59 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | trans | -119.7 | -8 | -172.1 | 71.8 | 27 | 0 | 0 | 0 | 114.8 | G121 E122 Y126 E130 D145 | G121-N124 WeakPolarHBondContact O-CB 3.35Å; E122-N124 VanDerWaalsContact CD-ND2 3.34Å; E122-N124 PolarHBondContact OE1-ND2 3.08Å; E122-N124 VanDerWaalsContact OE2-CB 3.3Å; E122-N124 WeakPolarHBondContact OE2-CB 3.12Å; E122-N124 PolarHBondContact OE2-N 2.94Å; E122-N124 PolarHBondContact OE2-ND2 3.38Å; N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 2.91Å; N124-Y126 WeakPolarHBondContact OD1-CA 3.2Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.44Å; N124-Y126 PolarHBondContact OD1-N 3.44Å; N124-E130 PolarHBondContact OD1-OE2 3.26Å; N124-D145 PolarHBondContact N-OD1 3.07Å; N124-D145 PolarHBondContact N-OD2 3.33Å | ||
| 125 | N | 86.9 | Confident | 92.2 | Very high | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | trans | 48.1 | 48.9 | -174 | -76.8 | -67.5 | 0 | 0 | 0 | 113 | G127 G128 E130 D145 | N125-G127 PolarHBondContact O-N 3.17Å; N125-G128 WeakPolarHBondContact O-CA 3.06Å; N125-G128 PolarHBondContact O-N 2.67Å; N125-E130 PolarHBondContact OD1-N 3.01Å; N125-E130 VanDerWaalsContact OD1-N 3.17Å; N125-D145 WeakPolarHBondContact CA-OD2 3.37Å; N125-D145 PolarHBondContact N-OD2 2.85Å | ||
| 126 | Y | 82.4 | Confident | 92.1 | Very high | 171 Ų | 171 | 52.2 Ų | 52.2 | 67% | 0.671 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 125.2 | -175 | -175.1 | -96.2 | 0 | 0 | 0 | 110.6 | N124 G128 E130 | N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 2.91Å; N124-Y126 WeakPolarHBondContact OD1-CA 3.2Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.44Å; N124-Y126 PolarHBondContact OD1-N 3.44Å; Y126-G128 VanDerWaalsContact C-N 3.25Å; Y126-G128 PolarHBondContact O-N 3.03Å; Y126-E130 VanDerWaalsContact CB-OE2 3.24Å; Y126-E130 WeakPolarHBondContact CB-OE2 3.3Å; Y126-E130 PolarHBondContact N-OE2 3.44Å; Y126-E130 WeakPolarHBondContact O-CG 3.35Å |
| 127 | G | 77.7 | Confident | 92.2 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 87% | 0.866 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N125 | N125-G127 PolarHBondContact O-N 3.17Š|
| 128 | G | 81.4 | Confident | 92 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 119.6 | -39.4 | 164 | 0 | 0 | 0 | 0 | 0 | 115.1 | N125 Y126 | N125-G128 WeakPolarHBondContact O-CA 3.06Å; N125-G128 PolarHBondContact O-N 2.67Å; Y126-G128 VanDerWaalsContact C-N 3.25Å; Y126-G128 PolarHBondContact O-N 3.03Å |
| 129 | S | 84.9 | Confident | 91.8 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | trans | -153.5 | 117.9 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 130 | E | 84.1 | Confident | 91.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -128.1 | 68.5 | -178 | -75.9 | -159.2 | 124 | 0 | 0 | 110.9 | N124 N125 Y126 C132 D145 K146 V147 | N124-E130 PolarHBondContact OD1-OE2 3.26Å; N125-E130 PolarHBondContact OD1-N 3.01Å; N125-E130 VanDerWaalsContact OD1-N 3.17Å; Y126-E130 VanDerWaalsContact CB-OE2 3.24Å; Y126-E130 WeakPolarHBondContact CB-OE2 3.3Å; Y126-E130 PolarHBondContact N-OE2 3.44Å; Y126-E130 WeakPolarHBondContact O-CG 3.35Å; E130-C132 PolarHBondContact O-N 2.85Å; E130-D145 HydrophobicContact CB-CB 4.12Å; E130-D145 WeakPolarHBondContact O-CB 3.16Å; E130-K146 CarbonylContact C-O 3.59Å; E130-K146 WeakPolarHBondContact CA-O 3.4Å; E130-K146 VanDerWaalsContact CB-C 3.5Å; E130-K146 PolarHBondContact O-N 2.94Å; E130-K146 IonicContact OE1-NZ 3.91Å; E130-K146 PolarHBondContact OE1-NZ 3.34Å; E130-V147 HydrophobicContact CG-CG2 3.92Å | ||
| 131 | P | 91.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 3.6 | -159.8 | 24.2 | -22.9 | 0 | 0 | 0 | 115.9 | S97 D98 A99 C148 | S97-P131 CarbonylContact C-O 3.47Å; S97-P131 WeakPolarHBondContact CA-O 3.24Å; S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.49Å; S97-P131 PolarHBondContact OG-O 2.79Å; D98-P131 PolarHBondContact N-O 2.61Å; D98-P131 WeakPolarHBondContact OD1-CA 3.39Å; D98-P131 WeakPolarHBondContact OD1-CB 3.16Å; A99-P131 HydrophobicContact CB-CB 4.05Å; P131-C148 VanDerWaalsContact CG-SG 3.53Å |
| 132 | C | 96.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153.5 | -177.9 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | W52 W93 E130 D145 K146 C148 | W52-C132 HydrophobicContact CB-CB 3.92Å; W52-C132 WeakPolarHBondContact CB-SG 3.35Å; W52-C132 HydrophobicContact CD2-CB 4.45Å; W52-C132 VanDerWaalsContact CD2-SG 3.59Å; W52-C132 HydrophobicContact CG-CB 3.73Å; W93-C132 HydrophobicContact CE3-CB 4.39Å; W93-C132 HydrophobicContact CH2-CB 4Å; W93-C132 HydrophobicContact CZ3-CB 3.77Å; E130-C132 PolarHBondContact O-N 2.85Å; C132-D145 CarbonylContact O-C 3.6Å; C132-D145 WeakPolarHBondContact O-CA 3.27Å; C132-K146 PolarHBondContact N-O 2.9Å; C132-K146 VanDerWaalsContact N-O 3.15Å; C132-K146 PolarHBondContact O-N 3.43Å; C132-C148 HydrophobicContact CB-CB 3.91Å; C132-C148 WeakPolarHBondContact CB-SG 3.08Å; C132-C148 PolarHBondContact N-SG 2.75Å; C132-C148 WeakPolarHBondContact SG-CB 3.34Å; C132-C148 CovalentContact SG-SG 2.02Å; C132-C148 PolarHBondContact SG-SG 3.05Å |
| 133 | V | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | -171.4 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | I94 L96 Y105 W118 W143 N144 | I94-V133 HydrophobicContact CD1-CB 4.28Å; I94-V133 HydrophobicContact CD1-CG1 3.66Å; I94-V133 HydrophobicContact CG1-CB 4.02Å; I94-V133 HydrophobicContact CG1-CG1 3.89Å; I94-V133 VanDerWaalsContact CG1-O 3.29Å; I94-V133 WeakPolarHBondContact CG1-O 3.36Å; I94-V133 PolarHBondContact N-O 3.47Å; L96-V133 HydrophobicContact CB-CB 3.87Å; L96-V133 HydrophobicContact CB-CG1 4.36Å; L96-V133 HydrophobicContact CB-CG2 3.88Å; L96-V133 HydrophobicContact CD2-CB 4.48Å; L96-V133 HydrophobicContact CD2-CG1 4.35Å; L96-V133 HydrophobicContact CD2-CG2 4.05Å; L96-V133 HydrophobicContact CG-CG2 4.07Å; L96-V133 WeakPolarHBondContact O-CB 3.15Å; L96-V133 WeakPolarHBondContact O-CG2 3.42Å; L96-V133 PolarHBondContact O-N 3.32Å; L96-V133 VanDerWaalsContact O-N 3.13Å; Y105-V133 HydrophobicContact CD1-CG2 4.04Å; Y105-V133 HydrophobicContact CE1-CG2 3.57Å; W118-V133 HydrophobicContact CH2-CG1 4.01Å; W118-V133 HydrophobicContact CH2-CG2 3.63Å; W118-V133 HydrophobicContact CZ3-CG1 3.78Å; W118-V133 HydrophobicContact CZ3-CG2 4.06Å; V133-W143 HydrophobicContact CG1-CB 3.9Å; V133-W143 HydrophobicContact CG1-CG 4.43Å; V133-N144 WeakPolarHBondContact CA-O 3.41Å; V133-N144 WeakPolarHBondContact CG1-O 3.32Å |
| 134 | H | 98.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.6 | 170.5 | 60.7 | 123.2 | 0 | 0 | 0 | 110.4 | T91 N92 W93 F137 W143 N144 | T91-H134 WeakPolarHBondContact CB-ND1 3.43Å; T91-H134 VanDerWaalsContact CG2-ND1 3.34Å; T91-H134 WeakPolarHBondContact CG2-ND1 3.49Å; N92-H134 CarbonylContact O-C 3.45Å; N92-H134 WeakPolarHBondContact O-CA 3.24Å; N92-H134 VanDerWaalsContact O-CB 3.24Å; N92-H134 WeakPolarHBondContact O-CB 3.45Å; W93-H134 HydrophobicContact CE3-CB 3.83Å; W93-H134 HydrophobicContact CZ3-CB 4.13Å; H134-F137 AromaticContact CE1-CD2 3.88Å; H134-W143 CarbonylContact O-C 3.58Å; H134-W143 VanDerWaalsContact O-CA 3.29Å; H134-W143 WeakPolarHBondContact O-CA 3.44Å; H134-N144 PolarHBondContact CD2-O 2.87Å; H134-N144 PolarHBondContact N-O 3.23Å; H134-N144 WeakPolarHBondContact NE2-CB 3.4Å; H134-N144 PolarHBondContact NE2-ND2 3.32Å; H134-N144 PolarHBondContact O-N 2.82Å |
| 135 | T | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -179.8 | 171.2 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | E75 I82 T91 N92 I94 F137 W143 | E75-T135 PolarHBondContact OE1-OG1 2.99Å; I82-T135 HydrophobicContact CD1-CG2 4.11Å; T91-T135 VanDerWaalsContact CA-O 3.28Å; T91-T135 WeakPolarHBondContact CA-O 3.47Å; N92-T135 HydrophobicContact CB-CG2 4.3Å; N92-T135 PolarHBondContact N-O 3.49Å; N92-T135 PolarHBondContact O-N 2.94Å; I94-T135 HydrophobicContact CG2-CG2 3.81Å; T135-F137 VanDerWaalsContact C-N 3.28Å; T135-F137 PolarHBondContact O-N 2.82Å; T135-W143 VanDerWaalsContact OG1-CD1 3.32Å |
| 136 | N | 97.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.6 | 24.4 | 179.9 | -90.8 | 9.3 | 0 | 0 | 0 | 114.5 | K79 D89 G90 K141 G142 | K79-N136 WeakPolarHBondContact CE-OD1 3.31Å; K79-N136 WeakPolarHBondContact CG-OD1 3.39Å; D89-N136 PolarHBondContact OD1-ND2 3.26Å; G90-N136 VanDerWaalsContact O-CB 3.27Å; G90-N136 WeakPolarHBondContact O-CB 3.21Å; G90-N136 PolarHBondContact O-ND2 2.86Å; N136-K141 HydrophobicContact CB-CD 4.19Å; N136-K141 WeakPolarHBondContact O-CD 3.17Å; N136-G142 PolarHBondContact N-O 3.38Å |
| 137 | F | 97 | Very high | 93.5 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.4 | 179 | -176 | -109.2 | 0 | 0 | 0 | 112.6 | T91 N119 H134 T135 K141 G142 N144 | T91-F137 HydrophobicContact CG2-CB 4.25Å; T91-F137 HydrophobicContact CG2-CD2 4.33Å; N119-F137 HydrophobicContact CB-CD1 3.95Å; H134-F137 AromaticContact CE1-CD2 3.88Å; T135-F137 VanDerWaalsContact C-N 3.28Å; T135-F137 PolarHBondContact O-N 2.82Å; F137-K141 CarbonylContact O-C 3.51Å; F137-K141 VanDerWaalsContact O-CA 3.31Å; F137-K141 WeakPolarHBondContact O-CA 3.4Å; F137-K141 PolarHBondContact O-N 2.8Å; F137-G142 PolarHBondContact N-O 2.88Å; F137-G142 PolarHBondContact O-N 3.11Å; F137-N144 HydrophobicContact CB-CB 3.73Å; F137-N144 HydrophobicContact CD1-CB 3.53Å; F137-N144 HydrophobicContact CD2-CB 4.22Å; F137-N144 HydrophobicContact CE1-CB 4.13Å; F137-N144 HydrophobicContact CG-CB 3.56Å |
| 138 | G | 94.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -176.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | A140 K141 | G138-A140 VanDerWaalsContact C-N 3.29Å; G138-A140 PolarHBondContact O-N 2.83Å; G138-K141 PolarHBondContact O-N 2.91Å |
| 139 | P | 92.9 | Very high | 95.1 | Very high | 138 Ų | 138 | 33.6 Ų | 33.6 | 90% | 0.896 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31.9 | -177.9 | -23.5 | 34.3 | 0 | 0 | 0 | 113.9 | K141 | P139-K141 PolarHBondContact O-N 3Š|
| 140 | A | 93.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 58% | 0.579 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G138 G142 | G138-A140 VanDerWaalsContact C-N 3.29Å; G138-A140 PolarHBondContact O-N 2.83Å; A140-G142 PolarHBondContact O-N 3.43Å |
| 141 | K | 95.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 40.6 | -176.2 | -59.5 | -70.6 | -179 | 159.3 | 0 | 111.6 | K79 D89 N136 F137 G138 P139 | K79-K141 HydrophobicContact CD-CB 4.45Å; K79-K141 WeakPolarHBondContact CE-O 3.33Å; K79-K141 PolarHBondContact NZ-O 3.3Å; D89-K141 PolarHBondContact O-NZ 2.68Å; D89-K141 WeakPolarHBondContact OD2-CE 3.29Å; D89-K141 IonicContact OD2-NZ 3.69Å; D89-K141 PolarHBondContact OD2-NZ 2.96Å; N136-K141 HydrophobicContact CB-CD 4.19Å; N136-K141 WeakPolarHBondContact O-CD 3.17Å; F137-K141 CarbonylContact O-C 3.51Å; F137-K141 VanDerWaalsContact O-CA 3.31Å; F137-K141 WeakPolarHBondContact O-CA 3.4Å; F137-K141 PolarHBondContact O-N 2.8Å; G138-K141 PolarHBondContact O-N 2.91Å; P139-K141 PolarHBondContact O-N 3Å |
| 142 | G | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -172 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L117 N136 F137 A140 | L117-G142 CarbonylContact O-C 3.52Å; L117-G142 VanDerWaalsContact O-CA 3.31Å; L117-G142 WeakPolarHBondContact O-CA 3.38Å; N136-G142 PolarHBondContact N-O 3.38Å; F137-G142 PolarHBondContact N-O 2.88Å; F137-G142 PolarHBondContact O-N 3.11Å; A140-G142 PolarHBondContact O-N 3.43Å |
| 143 | W | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150 | 174.8 | -52.5 | -15.2 | 0 | 0 | 0 | 111.3 | I69 E75 I94 L96 W107 F113 F115 K116 L117 W118 N119 V133 H134 T135 | I69-W143 HydrophobicContact CB-CZ2 3.99Å; I69-W143 HydrophobicContact CD1-CZ2 4.47Å; I69-W143 HydrophobicContact CG2-CZ2 4.1Å; E75-W143 PolarHBondContact OE2-NE1 2.99Å; I94-W143 HydrophobicContact CD1-CD2 4.02Å; I94-W143 HydrophobicContact CD1-CE3 4.47Å; I94-W143 HydrophobicContact CD1-CG 4.19Å; L96-W143 HydrophobicContact CD2-CE3 4.02Å; L96-W143 HydrophobicContact CD2-CZ3 3.86Å; W107-W143 HydrophobicContact CH2-CH2 4.06Å; W107-W143 HydrophobicContact CH2-CZ2 4.42Å; W107-W143 HydrophobicContact CH2-CZ3 4.48Å; W107-W143 AromaticContact CZ2-CH2 3.94Å; W107-W143 HydrophobicContact CZ2-CH2 3.94Å; W107-W143 HydrophobicContact CZ2-CZ3 4.42Å; F113-W143 HydrophobicContact CE2-CZ3 4.12Å; F115-W143 AromaticContact CD1-CH2 3.69Å; F115-W143 HydrophobicContact CD1-CH2 3.69Å; F115-W143 AromaticContact CD1-CZ2 3.78Å; F115-W143 HydrophobicContact CD1-CZ2 3.78Å; F115-W143 HydrophobicContact CE1-CH2 4.08Å; F115-W143 AromaticContact CE1-CZ2 3.75Å; F115-W143 HydrophobicContact CE1-CZ2 3.75Å; F115-W143 WeakPolarHBondContact O-CH2 3.24Å; K116-W143 VanDerWaalsContact CA-CZ3 3.47Å; K116-W143 HydrophobicContact CB-CZ3 4.22Å; L117-W143 HydrophobicContact CB-CD2 4.11Å; L117-W143 HydrophobicContact CB-CG 4.44Å; L117-W143 HydrophobicContact CB-CZ2 4.06Å; L117-W143 PolarHBondContact O-N 2.91Å; W118-W143 HydrophobicContact CD2-CB 4.42Å; W118-W143 HydrophobicContact CD2-CE3 4.41Å; W118-W143 HydrophobicContact CE3-CB 3.72Å; W118-W143 HydrophobicContact CZ3-CB 4.06Å; N119-W143 WeakPolarHBondContact CB-O 3.29Å; N119-W143 PolarHBondContact N-O 2.98Å; V133-W143 HydrophobicContact CG1-CB 3.9Å; V133-W143 HydrophobicContact CG1-CG 4.43Å; H134-W143 CarbonylContact O-C 3.58Å; H134-W143 VanDerWaalsContact O-CA 3.29Å; H134-W143 WeakPolarHBondContact O-CA 3.44Å; T135-W143 VanDerWaalsContact OG1-CD1 3.32Å |
| 144 | N | 97.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.4 | 172.6 | 176.3 | 32.1 | 0 | 0 | 0 | 109.2 | E122 V133 H134 F137 | E122-N144 HydrophobicContact CG-CB 4.03Å; E122-N144 WeakPolarHBondContact CG-OD1 3.09Å; E122-N144 PolarHBondContact OE1-OD1 2.97Å; E122-N144 PolarHBondContact OE2-OD1 2.99Å; E122-N144 VanDerWaalsContact OE2-OD1 3.12Å; V133-N144 WeakPolarHBondContact CA-O 3.41Å; V133-N144 WeakPolarHBondContact CG1-O 3.32Å; H134-N144 PolarHBondContact CD2-O 2.87Å; H134-N144 PolarHBondContact N-O 3.23Å; H134-N144 WeakPolarHBondContact NE2-CB 3.4Å; H134-N144 PolarHBondContact NE2-ND2 3.32Å; H134-N144 PolarHBondContact O-N 2.82Å; F137-N144 HydrophobicContact CB-CB 3.73Å; F137-N144 HydrophobicContact CD1-CB 3.53Å; F137-N144 HydrophobicContact CD2-CB 4.22Å; F137-N144 HydrophobicContact CE1-CB 4.13Å; F137-N144 HydrophobicContact CG-CB 3.56Å |
| 145 | D | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 147.6 | 167.9 | 66.7 | -47.7 | 0 | 0 | 0 | 109.5 | W118 P123 N124 N125 E130 C132 | W118-D145 HydrophobicContact CZ3-CB 4.41Å; P123-D145 WeakPolarHBondContact CA-OD1 3.28Å; P123-D145 HydrophobicContact CB-CB 3.81Å; P123-D145 WeakPolarHBondContact CB-OD1 3.44Å; N124-D145 PolarHBondContact N-OD1 3.07Å; N124-D145 PolarHBondContact N-OD2 3.33Å; N125-D145 WeakPolarHBondContact CA-OD2 3.37Å; N125-D145 PolarHBondContact N-OD2 2.85Å; E130-D145 HydrophobicContact CB-CB 4.12Å; E130-D145 WeakPolarHBondContact O-CB 3.16Å; C132-D145 CarbonylContact O-C 3.6Å; C132-D145 WeakPolarHBondContact O-CA 3.27Å |
| 146 | K | 96.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.3 | -176.2 | -157.9 | 73.3 | -151.7 | 137.6 | 0 | 112.8 | W93 E130 C132 C148 D150 Y152 | W93-K146 HydrophobicContact CH2-CB 3.76Å; W93-K146 HydrophobicContact CH2-CG 4.1Å; W93-K146 HydrophobicContact CZ3-CB 3.84Å; E130-K146 CarbonylContact C-O 3.59Å; E130-K146 WeakPolarHBondContact CA-O 3.4Å; E130-K146 VanDerWaalsContact CB-C 3.5Å; E130-K146 PolarHBondContact O-N 2.94Å; E130-K146 IonicContact OE1-NZ 3.91Å; E130-K146 PolarHBondContact OE1-NZ 3.34Å; C132-K146 PolarHBondContact N-O 2.9Å; C132-K146 VanDerWaalsContact N-O 3.15Å; C132-K146 PolarHBondContact O-N 3.43Å; K146-C148 PolarHBondContact O-N 3.22Å; K146-D150 WeakPolarHBondContact CE-OD2 3.01Å; K146-D150 HydrophobicContact CG-CB 4.43Å; K146-Y152 HydrophobicContact CG-CE2 3.91Å |
| 147 | V | 95.6 | Very high | 97 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | trans | -57.4 | 120.6 | 170.8 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | E130 T149 D150 | E130-V147 HydrophobicContact CG-CG2 3.92Å; V147-T149 WeakPolarHBondContact CG1-OG1 3.49Å; V147-T149 PolarHBondContact O-N 2.74Å; V147-D150 WeakPolarHBondContact O-CB 3.34Å; V147-D150 PolarHBondContact O-N 2.88Å | ||
| 148 | C | 95.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.9 | -173.5 | -61.1 | 0 | 0 | 0 | 0 | 115.4 | W52 P131 C132 K146 D150 | W52-C148 HydrophobicContact CB-CB 4.3Å; W52-C148 PolarHBondContact N-O 2.97Å; W52-C148 VanDerWaalsContact N-O 3.09Å; P131-C148 VanDerWaalsContact CG-SG 3.53Å; C132-C148 HydrophobicContact CB-CB 3.91Å; C132-C148 WeakPolarHBondContact CB-SG 3.08Å; C132-C148 PolarHBondContact N-SG 2.75Å; C132-C148 WeakPolarHBondContact SG-CB 3.34Å; C132-C148 CovalentContact SG-SG 2.02Å; C132-C148 PolarHBondContact SG-SG 3.05Å; K146-C148 PolarHBondContact O-N 3.22Å; C148-D150 VanDerWaalsContact C-N 3.33Å |
| 149 | T | 96.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 64% | 0.638 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.9 | 179.2 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | V147 | V147-T149 WeakPolarHBondContact CG1-OG1 3.49Å; V147-T149 PolarHBondContact O-N 2.74Å |
| 150 | D | 97.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -65.4 | 157.8 | 171.3 | -73.5 | 1.1 | 0 | 0 | 0 | 110.2 | T51 W93 K146 V147 C148 Y152 | T51-D150 WeakPolarHBondContact CA-O 3.38Å; W93-D150 HydrophobicContact CZ2-CB 4.32Å; W93-D150 WeakPolarHBondContact CZ2-O 3.31Å; K146-D150 WeakPolarHBondContact CE-OD2 3.01Å; K146-D150 HydrophobicContact CG-CB 4.43Å; V147-D150 WeakPolarHBondContact O-CB 3.34Å; V147-D150 PolarHBondContact O-N 2.88Å; C148-D150 VanDerWaalsContact C-N 3.33Å; D150-Y152 HydrophobicContact CB-CD2 4.2Å; D150-Y152 HydrophobicContact CB-CE2 3.5Å; D150-Y152 VanDerWaalsContact CB-CE2 3.5Å |
| 151 | K | 98.5 | Very high | 93.9 | Very high | 136 Ų | 136 | 45 Ų | 45 | 59% | 0.591 | 21% | 0.212 | S | C | * | . | trans | -114.6 | 119.5 | -174.4 | -62.2 | -173.2 | -179.4 | -177.1 | 0 | 111.3 | L49 M50 T51 | L49-K151 HydrophobicContact CB-CB 3.92Å; M50-K151 WeakPolarHBondContact O-CA 3.38Å; T51-K151 HydrophobicContact CG2-CG 4.4Å | ||
| 152 | Y | 98.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.5 | 177.4 | -62.1 | -84.6 | 0 | 0 | 0 | 110.6 | L49 M50 T91 W93 K146 D150 | L49-Y152 WeakPolarHBondContact CA-O 3.04Å; M50-Y152 PolarHBondContact N-O 2.88Å; M50-Y152 PolarHBondContact O-N 2.78Å; M50-Y152 VanDerWaalsContact O-N 3.15Å; T91-Y152 WeakPolarHBondContact OG1-CD1 3.08Å; T91-Y152 WeakPolarHBondContact OG1-CE1 3.12Å; W93-Y152 AromaticContact CD2-CD2 3.94Å; W93-Y152 HydrophobicContact CD2-CD2 3.94Å; W93-Y152 AromaticContact CE2-CD2 3.41Å; W93-Y152 VanDerWaalsContact CE2-CD2 3.41Å; W93-Y152 HydrophobicContact CE3-CD2 4.33Å; W93-Y152 AromaticContact CH2-CD2 3.8Å; W93-Y152 HydrophobicContact CH2-CD2 3.8Å; W93-Y152 AromaticContact CH2-CE2 3.82Å; W93-Y152 HydrophobicContact CH2-CE2 3.82Å; W93-Y152 AromaticContact CZ2-CD2 3.36Å; W93-Y152 HydrophobicContact CZ2-CD2 3.36Å; W93-Y152 AromaticContact CZ2-CE2 3.75Å; W93-Y152 HydrophobicContact CZ2-CE2 3.75Å; W93-Y152 HydrophobicContact CZ3-CD2 4.26Å; W93-Y152 HydrophobicContact CZ3-CE2 4.4Å; W93-Y152 AromaticContact NE1-CD2 3.78Å; K146-Y152 HydrophobicContact CG-CE2 3.91Å; D150-Y152 HydrophobicContact CB-CD2 4.2Å; D150-Y152 HydrophobicContact CB-CE2 3.5Å; D150-Y152 VanDerWaalsContact CB-CE2 3.5Å |
| 153 | S | 98.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 168.7 | 161.1 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | Y45 I46 L49 N92 W93 | Y45-S153 WeakPolarHBondContact OH-CB 3.46Å; I46-S153 WeakPolarHBondContact O-CA 3.35Å; I46-S153 VanDerWaalsContact O-CB 3.24Å; I46-S153 WeakPolarHBondContact O-CB 3.45Å; L49-S153 VanDerWaalsContact CD2-N 3.3Å; N92-S153 CarbonylContact C-O 3.5Å; N92-S153 WeakPolarHBondContact CA-O 3.36Å; N92-S153 VanDerWaalsContact OD1-C 3.24Å; N92-S153 WeakPolarHBondContact OD1-CB 3.24Å; N92-S153 PolarHBondContact OD1-OG 3.12Å; N92-S153 VanDerWaalsContact OD1-OG 3.04Å; W93-S153 PolarHBondContact N-O 3.38Å |
| 154 | F | 98.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 164.5 | -170.7 | 57 | -86 | 0 | 0 | 0 | 113 | I46 T48 M50 A55 H58 L66 N92 W93 | I46-F154 HydrophobicContact CB-CD1 4.2Å; I46-F154 HydrophobicContact CB-CD2 3.92Å; I46-F154 HydrophobicContact CB-CE1 3.89Å; I46-F154 HydrophobicContact CB-CE2 3.61Å; I46-F154 HydrophobicContact CB-CG 4.21Å; I46-F154 HydrophobicContact CB-CZ 3.59Å; I46-F154 HydrophobicContact CG1-CD2 3.99Å; I46-F154 HydrophobicContact CG1-CE2 3.56Å; I46-F154 HydrophobicContact CG1-CZ 3.97Å; I46-F154 HydrophobicContact CG2-CD1 4.4Å; I46-F154 HydrophobicContact CG2-CE1 3.64Å; I46-F154 HydrophobicContact CG2-CE2 3.91Å; I46-F154 HydrophobicContact CG2-CZ 3.37Å; I46-F154 PolarHBondContact N-O 3.17Å; I46-F154 PolarHBondContact O-N 3.15Å; I46-F154 VanDerWaalsContact O-N 3.09Å; T48-F154 VanDerWaalsContact O-CE1 3.32Å; T48-F154 WeakPolarHBondContact O-CE1 3.17Å; M50-F154 HydrophobicContact CB-CD1 4.41Å; M50-F154 HydrophobicContact CB-CE1 3.89Å; M50-F154 HydrophobicContact CG-CE1 3.9Å; M50-F154 HydrophobicContact SD-CE1 3.54Å; M50-F154 VanDerWaalsContact SD-CE1 3.54Å; M50-F154 HydrophobicContact SD-CZ 3.57Å; M50-F154 VanDerWaalsContact SD-CZ 3.57Å; A55-F154 HydrophobicContact CB-CB 4.2Å; A55-F154 HydrophobicContact CB-CD1 3.62Å; A55-F154 HydrophobicContact CB-CD2 3.88Å; A55-F154 HydrophobicContact CB-CE1 3.83Å; A55-F154 HydrophobicContact CB-CE2 4.03Å; A55-F154 HydrophobicContact CB-CG 3.66Å; A55-F154 HydrophobicContact CB-CZ 4.02Å; H58-F154 HydrophobicContact CB-CE2 4.03Å; H58-F154 HydrophobicContact CB-CZ 3.85Å; H58-F154 AromaticContact CD2-CE2 3.57Å; H58-F154 AromaticContact CD2-CZ 3.63Å; H58-F154 AromaticContact CG-CE2 4Å; H58-F154 AromaticContact CG-CZ 3.73Å; L66-F154 HydrophobicContact CD2-CB 3.68Å; L66-F154 HydrophobicContact CD2-CD2 3.81Å; L66-F154 HydrophobicContact CD2-CG 4.08Å; N92-F154 PolarHBondContact OD1-N 2.76Å; W93-F154 HydrophobicContact CB-CB 3.85Å |
| 155 | V | 98.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.5 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | K44 Y45 V67 V78 L81 I82 | K44-V155 CarbonylContact O-C 3.22Å; K44-V155 WeakPolarHBondContact O-CA 2.98Å; Y45-V155 HydrophobicContact CD2-CG2 4.25Å; V67-V155 HydrophobicContact CB-CB 4.22Å; V67-V155 HydrophobicContact CB-CG1 4.06Å; V67-V155 WeakPolarHBondContact CB-O 3.4Å; V67-V155 HydrophobicContact CG1-CB 3.82Å; V67-V155 HydrophobicContact CG1-CG1 4.13Å; V67-V155 HydrophobicContact CG2-CG1 4.48Å; V67-V155 PolarHBondContact N-O 3.07Å; V78-V155 HydrophobicContact CG1-CB 4.47Å; V78-V155 HydrophobicContact CG1-CG2 4.15Å; L81-V155 HydrophobicContact CD2-CG1 4.06Å; I82-V155 HydrophobicContact CD1-CG2 4.16Å; I82-V155 HydrophobicContact CG1-CG2 3.85Å |
| 156 | C | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 148.8 | 170.7 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | W35 Y43 K44 C59 A64 N65 | W35-C156 HydrophobicContact CH2-CB 3.66Å; W35-C156 HydrophobicContact CZ3-CB 4Å; Y43-C156 CarbonylContact C-O 3.54Å; Y43-C156 VanDerWaalsContact CA-O 3.23Å; Y43-C156 WeakPolarHBondContact CA-O 3.34Å; K44-C156 PolarHBondContact N-O 3.28Å; K44-C156 PolarHBondContact O-N 2.81Å; C59-C156 WeakPolarHBondContact CA-SG 3.2Å; C59-C156 HydrophobicContact CB-CB 3.77Å; C59-C156 WeakPolarHBondContact CB-SG 3.49Å; C59-C156 WeakPolarHBondContact SG-CA 3.42Å; C59-C156 WeakPolarHBondContact SG-CB 3.45Å; C59-C156 CovalentContact SG-SG 2.04Å; C59-C156 PolarHBondContact SG-SG 3.46Å; A64-C156 HydrophobicContact CB-CB 4.2Å; N65-C156 CarbonylContact O-C 3.49Å; N65-C156 VanDerWaalsContact O-CA 3.27Å; N65-C156 WeakPolarHBondContact O-CA 3.36Å |
| 157 | K | 98.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.3 | 173.7 | -177.8 | -171.8 | -172.2 | 173.1 | 0 | 110.5 | C42 Y43 A64 N65 V67 S68 E74 | C42-K157 CarbonylContact O-C 3.54Å; C42-K157 WeakPolarHBondContact O-CA 3.15Å; Y43-K157 HydrophobicContact CD1-CB 4.14Å; Y43-K157 HydrophobicContact CD1-CG 4.06Å; Y43-K157 HydrophobicContact CE1-CB 4.21Å; Y43-K157 HydrophobicContact CE1-CD 3.88Å; Y43-K157 HydrophobicContact CE1-CG 3.69Å; A64-K157 WeakPolarHBondContact CB-O 3.37Å; N65-K157 PolarHBondContact N-O 3.34Å; N65-K157 VanDerWaalsContact N-O 3.08Å; N65-K157 PolarHBondContact O-N 3.18Å; V67-K157 HydrophobicContact CB-CB 4.12Å; V67-K157 HydrophobicContact CG2-CB 4.05Å; V67-K157 HydrophobicContact CG2-CD 4.17Å; S68-K157 PolarHBondContact O-NZ 2.95Å; S68-K157 WeakPolarHBondContact OG-CD 3.49Å; S68-K157 PolarHBondContact OG-NZ 3.03Å; E74-K157 WeakPolarHBondContact OE1-CE 3.3Å; E74-K157 IonicContact OE1-NZ 2.6Å; E74-K157 PolarHBondContact OE1-NZ 3.11Å; E74-K157 IonicContact OE2-NZ 3.89Å |
| 158 | A | 96.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 153.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W35 C42 A64 | W35-A158 HydrophobicContact CE3-CB 4.41Å; W35-A158 HydrophobicContact CH2-CB 4.23Å; W35-A158 HydrophobicContact CZ3-CB 3.89Å; C42-A158 HydrophobicContact CB-CB 4.34Å; C42-A158 PolarHBondContact N-O 3.4Å; C42-A158 PolarHBondContact O-N 3.23Å; A64-A158 HydrophobicContact CB-CB 3.9Å |
| 159 | R | 83.6 | Confident | 89.4 | Confident | 184 Ų | 184 | 70.6 Ų | 70.6 | 69% | 0.694 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 149.9 | 164.2 | -59.5 | -169.8 | 178.6 | 177 | 2.2 | 108.7 | Y161 | R159-Y161 PolarHBondContact O-N 3.39Å |
| 160 | L | 73.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 68 Ų | 68 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | trans | -56.2 | 131.7 | 168.7 | -90 | 172.2 | 0 | 0 | 0 | 109.4 | G40 L162 | G40-L160 VanDerWaalsContact C-CD1 3.46Å; G40-L160 VanDerWaalsContact O-CD1 3.31Å; G40-L160 WeakPolarHBondContact O-CD1 3.31Å; G40-L160 WeakPolarHBondContact O-CG 3.48Å; L160-L162 PolarHBondContact O-N 3.47Å | ||
| 161 | Y | 59.2 | Low | 88.2 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | trans | -75.1 | 110.5 | 159.8 | -62.6 | -80.8 | 0 | 0 | 0 | 105.8 | P32 R159 | P32-Y161 HydrophobicContact CG-CD2 3.99Å; P32-Y161 HydrophobicContact CG-CE2 4.14Å; R159-Y161 PolarHBondContact O-N 3.39Å | ||
| 162 | L | 54.4 | Low | 87.2 | Confident | 234 Ų | 234 | 62.8 Ų | 62.8 | 100% | 1.225 | 28% | 0.284 | S | S | * | . | trans | -76.4 | 0 | 165 | -70.4 | 174.3 | 0 | 0 | 0 | 108.9 | L160 | L160-L162 PolarHBondContact O-N 3.47Š|
Retrieved 162 of 162 residues in 148.7 ms
(Link to these results)