| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59 | Low | 59.1 | Low | 244 Ų | 244 | 155.2 Ų | 155.2 | 100% | 1.202 | 85% | 0.853 | S | S | * | * | 0 | 112 | 0 | -90.7 | 173.4 | 83.8 | 0 | 0 | 107.7 | |||||
| 2 | L | 44.9 | Very low | 58.7 | Low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -93.3 | 127.2 | -174.6 | -170.7 | 78.9 | 0 | 0 | 0 | 107.7 | ||||
| 3 | T | 59.6 | Low | 58.1 | Low | 138 Ų | 138 | 154.6 Ų | 154.6 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | trans | -136.7 | 102.8 | 166.9 | -3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | L | 52.9 | Low | 57.4 | Low | 145 Ų | 145 | 151 Ų | 151 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | trans | -77.9 | 121 | 179.1 | -170.5 | 77.6 | 0 | 0 | 0 | 108.4 | L6 | L4-L6 PolarHBondContact O-N 2.88Š| ||
| 5 | L | 59.4 | Low | 56.7 | Low | 169 Ų | 169 | 149.8 Ų | 149.8 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | trans | -77.8 | 111.7 | 175.4 | -83 | 146.7 | 0 | 0 | 0 | 109.4 | ||||
| 6 | L | 62.9 | Low | 55.9 | Low | 147 Ų | 147 | 152.9 Ų | 152.9 | 77% | 0.77 | 84% | 0.838 | S | S | * | * | trans | -70.2 | 125 | 177 | -89.6 | 93.6 | 0 | 0 | 0 | 111.6 | L4 T8 | L4-L6 PolarHBondContact O-N 2.88Å; L6-T8 PolarHBondContact O-N 3.19Å | ||
| 7 | F | 56.8 | Low | 55 | Low | 207 Ų | 207 | 147.8 Ų | 147.8 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -59.5 | 119.1 | 159.5 | -89.1 | -103.5 | 0 | 0 | 0 | 109.9 | ||||
| 8 | T | 62.1 | Low | 55 | Low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | trans | -114.8 | 109 | 164.9 | 34.1 | 0 | 0 | 0 | 0 | 108.5 | L6 I10 | L6-T8 PolarHBondContact O-N 3.19Å; T8-I10 PolarHBondContact O-N 2.9Å | ||
| 9 | A | 65.7 | Low | 55.7 | Low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 118.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | C11 | A9-C11 PolarHBondContact O-N 2.96Š| ||
| 10 | I | 66.7 | Low | 57.2 | Low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 107.4 | 174.1 | -62.1 | 169.2 | 0 | 0 | 0 | 107 | T8 L12 | T8-I10 PolarHBondContact O-N 2.9Å; I10-L12 PolarHBondContact O-N 3.16Å | ||
| 11 | C | 60.2 | Low | 58.9 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -70.6 | 110.1 | 166.8 | -70.9 | 0 | 0 | 0 | 0 | 108.8 | A9 D13 | A9-C11 PolarHBondContact O-N 2.96Å; C11-D13 PolarHBondContact O-N 3.03Å | ||
| 12 | L | 53.8 | Low | 60.7 | Low | 151 Ų | 151 | 125 Ų | 125 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -81.2 | 92.9 | 167.8 | -79.6 | 159.7 | 0 | 0 | 0 | 108.8 | I10 S14 | I10-L12 PolarHBondContact O-N 3.16Å; L12-S14 PolarHBondContact O-N 2.89Å | ||
| 13 | D | 51.7 | Low | 63.2 | Low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -70.5 | 96.8 | 165.4 | -91.8 | -34 | 0 | 0 | 0 | 109.3 | C11 T15 | C11-D13 PolarHBondContact O-N 3.03Å; D13-T15 PolarHBondContact O-N 2.81Å | ||
| 14 | S | 48.4 | Very low | 65 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -84.3 | 86 | 173.3 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | L12 | L12-S14 PolarHBondContact O-N 2.89Š| ||
| 15 | T | 46.6 | Very low | 67.2 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 82% | 0.816 | 67% | 0.668 | S | S | * | * | trans | -99.3 | 61.1 | 163.7 | 50.1 | 0 | 0 | 0 | 0 | 110 | D13 G17 | D13-T15 PolarHBondContact O-N 2.81Å; T15-G17 PolarHBondContact O-N 3.49Å | ||
| 16 | F | 43.4 | Very low | 69 | Low | 200 Ų | 200 | 112.1 Ų | 112.1 | 88% | 0.877 | 63% | 0.632 | S | S | * | * | trans | -78.6 | 73.9 | 165.7 | -115.4 | -91.9 | 0 | 0 | 0 | 108.8 | D18 | F16-D18 VanDerWaalsContact C-N 3.25Å; F16-D18 PolarHBondContact O-N 2.83Å | ||
| 17 | G | 40.4 | Very low | 70.7 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 68% | 0.68 | 61% | 0.613 | S | S | * | * | trans | -83 | 68.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | T15 S19 | T15-G17 PolarHBondContact O-N 3.49Å; G17-S19 PolarHBondContact O-N 3.38Å | ||
| 18 | D | 54.8 | Low | 72.7 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | trans | -76 | 74.5 | 165.2 | -166.8 | 15.2 | 0 | 0 | 0 | 108.2 | F16 S20 R41 | F16-D18 VanDerWaalsContact C-N 3.25Å; F16-D18 PolarHBondContact O-N 2.83Å; D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 VanDerWaalsContact O-N 3.11Å; D18-R41 IonicContact OD1-NH2 2.71Å | ||
| 19 | S | 68.7 | Low | 74.4 | Confident | 68 Ų | 68 | 95.2 Ų | 95.2 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | trans | -69.2 | 109.4 | 173 | 56.7 | 0 | 0 | 0 | 0 | 107.3 | G17 S21 R41 | G17-S19 PolarHBondContact O-N 3.38Å; S19-S21 PolarHBondContact O-N 3.08Å; S19-R41 VanDerWaalsContact O-CZ 3.29Å; S19-R41 PolarHBondContact O-NH1 3.16Å; S19-R41 PolarHBondContact O-NH2 3.03Å | ||
| 20 | S | 86.5 | Confident | 75.9 | Confident | 69 Ų | 69 | 91.7 Ų | 91.7 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -58.4 | -14.3 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | D18 R41 S65 K66 | D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 VanDerWaalsContact O-N 3.11Å; S20-R41 PolarHBondContact O-NH1 3.11Å; S20-R41 VanDerWaalsContact O-NH1 3.17Å; S20-S65 CarbonylContact O-C 3.52Å; S20-S65 VanDerWaalsContact O-CA 3.28Å; S20-S65 WeakPolarHBondContact O-CA 3.46Å; S20-K66 PolarHBondContact O-N 3.45Å |
| 21 | S | 92.7 | Very high | 77.4 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.8 | 179.9 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | S19 L64 S65 | S19-S21 PolarHBondContact O-N 3.08Å; S21-L64 WeakPolarHBondContact CA-O 3.49Å; S21-S65 WeakPolarHBondContact CB-OG 3.35Å |
| 22 | I | 96.3 | Very high | 79.1 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.8 | 167.1 | 58.2 | 163.6 | 0 | 0 | 0 | 109.6 | I39 E40 R41 I63 L64 | I22-I39 HydrophobicContact CB-CD1 4.5Å; I22-I39 HydrophobicContact CD1-CD1 3.84Å; I22-I39 HydrophobicContact CD1-CG1 3.59Å; I22-I39 HydrophobicContact CG1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CG1 4.1Å; I22-E40 WeakPolarHBondContact CD1-O 3.29Å; I22-R41 HydrophobicContact CD1-CB 3.82Å; I22-R41 HydrophobicContact CD1-CG 4.47Å; I22-R41 HydrophobicContact CG1-CB 4.39Å; I22-I63 VanDerWaalsContact O-CA 3.29Å; I22-I63 WeakPolarHBondContact O-CA 3.38Å; I22-L64 HydrophobicContact CD1-CB 4.38Å; I22-L64 HydrophobicContact CG1-CB 3.94Å; I22-L64 PolarHBondContact N-O 2.91Å; I22-L64 PolarHBondContact O-N 2.83Å |
| 23 | K | 97.5 | Very high | 81.1 | Confident | 117 Ų | 117 | 82 Ų | 82 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.7 | -179 | -177.2 | -176.9 | 170.8 | -160.2 | 0 | 110.7 | E25 H61 M62 I63 | K23-E25 WeakPolarHBondContact CE-OE1 3.49Å; K23-E25 IonicContact NZ-OE1 2.83Å; K23-E25 PolarHBondContact NZ-OE1 3.18Å; K23-H61 HydrophobicContact CG-CB 4.3Å; K23-M62 CarbonylContact C-O 3.58Å; K23-M62 VanDerWaalsContact CA-O 3.3Å; K23-M62 WeakPolarHBondContact CA-O 3.27Å; K23-I63 HydrophobicContact CB-CG1 4.18Å; K23-I63 HydrophobicContact CG-CG1 4.02Å |
| 24 | K | 98.3 | Very high | 83.3 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.5 | 172.9 | -178.5 | -171.8 | -179.9 | -166.2 | 0 | 110 | S37 T38 I39 H61 M62 | K24-S37 PolarHBondContact NZ-OG 3.25Å; K24-T38 VanDerWaalsContact CD-O 3.22Å; K24-T38 WeakPolarHBondContact CD-O 3.23Å; K24-T38 PolarHBondContact NZ-O 3.01Å; K24-I39 HydrophobicContact CB-CB 4.47Å; K24-I39 HydrophobicContact CB-CD1 3.87Å; K24-I39 HydrophobicContact CB-CG1 4.22Å; K24-H61 CarbonylContact O-C 3.54Å; K24-H61 WeakPolarHBondContact O-CA 3.43Å; K24-H61 WeakPolarHBondContact O-CB 3.4Å; K24-M62 PolarHBondContact N-O 2.84Å; K24-M62 PolarHBondContact O-N 2.93Å |
| 25 | E | 98.3 | Very high | 85.7 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 148.1 | 172.9 | -58.1 | -162.7 | 151.2 | 0 | 0 | 111.2 | K23 W60 H61 | K23-E25 WeakPolarHBondContact CE-OE1 3.49Å; K23-E25 IonicContact NZ-OE1 2.83Å; K23-E25 PolarHBondContact NZ-OE1 3.18Å; E25-W60 WeakPolarHBondContact CA-O 3.39Å; E25-H61 HydrophobicContact CG-CB 4.31Å |
| 26 | F | 98.3 | Very high | 88.2 | Confident | 30 Ų | 30 | 77 Ų | 77 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 169.2 | 175.6 | 70.4 | -74.4 | 0 | 0 | 0 | 110.9 | V28 F48 Y50 W60 M62 V77 | F26-V28 HydrophobicContact CD2-CG2 4.46Å; F26-V28 HydrophobicContact CE2-CG2 3.67Å; F26-V28 HydrophobicContact CZ-CG2 4.26Å; F26-F48 AromaticContact CE2-CD1 3.93Å; F26-F48 HydrophobicContact CE2-CD1 3.93Å; F26-F48 HydrophobicContact CE2-CE1 4.18Å; F26-F48 AromaticContact CZ-CD1 3.66Å; F26-F48 HydrophobicContact CZ-CD1 3.66Å; F26-F48 HydrophobicContact CZ-CE1 4.02Å; F26-Y50 HydrophobicContact CE2-CE1 4.07Å; F26-W60 HydrophobicContact CD1-CB 4.07Å; F26-W60 HydrophobicContact CD2-CB 4.46Å; F26-W60 HydrophobicContact CE1-CB 3.52Å; F26-W60 HydrophobicContact CE2-CB 3.98Å; F26-W60 HydrophobicContact CZ-CB 3.47Å; F26-W60 VanDerWaalsContact CZ-CB 3.47Å; F26-W60 HydrophobicContact CZ-CG 4.29Å; F26-W60 PolarHBondContact N-O 2.84Å; F26-W60 PolarHBondContact O-N 2.8Å; F26-W60 VanDerWaalsContact O-O 3.05Å; F26-M62 HydrophobicContact CD1-CG 4.2Å; F26-M62 HydrophobicContact CE1-CG 3.69Å; F26-V77 HydrophobicContact CE1-CG1 4.3Å; F26-V77 HydrophobicContact CZ-CG1 4.01Å |
| 27 | S | 98 | Very high | 90.8 | Very high | 53 Ų | 53 | 67.8 Ų | 67.8 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.5 | 172.7 | -62 | 0 | 0 | 0 | 0 | 110.4 | Y50 E58 | S27-Y50 PolarHBondContact O-OH 2.86Å; S27-E58 CarbonylContact C-O 3.52Å; S27-E58 VanDerWaalsContact CA-O 3.29Å; S27-E58 WeakPolarHBondContact CA-O 3.5Å |
| 28 | V | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.9 | 164.8 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | F26 F48 Y50 N57 E58 W60 I87 F89 | F26-V28 HydrophobicContact CD2-CG2 4.46Å; F26-V28 HydrophobicContact CE2-CG2 3.67Å; F26-V28 HydrophobicContact CZ-CG2 4.26Å; V28-F48 HydrophobicContact CG2-CE1 4.42Å; V28-Y50 WeakPolarHBondContact CA-OH 3.15Å; V28-Y50 HydrophobicContact CB-CE2 4.28Å; V28-Y50 HydrophobicContact CG1-CD2 4.1Å; V28-Y50 HydrophobicContact CG1-CE2 3.7Å; V28-Y50 HydrophobicContact CG2-CE1 4.28Å; V28-Y50 HydrophobicContact CG2-CE2 4.39Å; V28-N57 VanDerWaalsContact O-CA 3.32Å; V28-N57 WeakPolarHBondContact O-CA 3.47Å; V28-E58 PolarHBondContact N-O 3.19Å; V28-E58 PolarHBondContact O-N 3.41Å; V28-E58 VanDerWaalsContact O-N 3.11Å; V28-W60 HydrophobicContact CB-CG 4.29Å; V28-W60 HydrophobicContact CG2-CB 4.1Å; V28-W60 HydrophobicContact CG2-CD2 3.73Å; V28-W60 HydrophobicContact CG2-CG 3.47Å; V28-W60 VanDerWaalsContact CG2-CG 3.47Å; V28-I87 HydrophobicContact CG1-CG1 4.2Å; V28-I87 HydrophobicContact CG1-CG2 4.17Å; V28-F89 HydrophobicContact CG1-CE1 4.05Å; V28-F89 HydrophobicContact CG1-CZ 3.94Å |
| 29 | Q | 98 | Very high | 95.7 | Very high | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -108.8 | 114.9 | -173.9 | -61.5 | -179.2 | 8.5 | 0 | 0 | 110.4 | Y35 Y50 C52 | Q29-Y35 HydrophobicContact CB-CD2 4.32Å; Q29-Y35 HydrophobicContact CB-CE2 3.87Å; Q29-Y35 VanDerWaalsContact OE1-CE1 3.24Å; Q29-Y35 VanDerWaalsContact OE1-CZ 3.28Å; Q29-Y35 PolarHBondContact OE1-OH 3.27Å; Q29-Y50 PolarHBondContact N-OH 3.12Å; Q29-Y50 VanDerWaalsContact N-OH 3.08Å; Q29-C52 PolarHBondContact O-SG 2.87Å; Q29-C52 VanDerWaalsContact O-SG 3.38Å | ||
| 30 | P | 97.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 16% | 0.156 | 34% | 0.341 | C | S | . | . | trans | -71.5 | 165.7 | 172.3 | 31.4 | -33.3 | 0 | 0 | 0 | 111.9 | Q53 G54 N57 I87 | P30-Q53 VanDerWaalsContact CB-C 3.49Å; P30-G54 VanDerWaalsContact CB-N 3.27Å; P30-G54 WeakPolarHBondContact CB-O 3.25Å; P30-G54 WeakPolarHBondContact CG-O 3.34Å; P30-N57 VanDerWaalsContact CD-OD1 3.31Å; P30-N57 WeakPolarHBondContact CD-OD1 3.29Å; P30-I87 HydrophobicContact CB-CD1 4.32Å; P30-I87 HydrophobicContact CG-CD1 4.29Å | ||
| 31 | G | 96.8 | Very high | 97.2 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 130.9 | 13 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K33 C52 | G31-K33 PolarHBondContact O-N 3.17Å; G31-C52 PolarHBondContact N-O 3.38Å |
| 32 | G | 95.6 | Very high | 97 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 72.8 | 6.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | E51 C52 Q53 | G32-E51 WeakPolarHBondContact O-CG 3.47Å; G32-C52 PolarHBondContact N-O 3.08Å; G32-Q53 VanDerWaalsContact N-NE2 3.15Å |
| 33 | K | 97.2 | Very high | 96.7 | Very high | 141 Ų | 141 | 63.6 Ų | 63.6 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | trans | -87.1 | 145.1 | 171.6 | -65.3 | -179.8 | -176.8 | 177.9 | 0 | 109.4 | G31 Y35 | G31-K33 PolarHBondContact O-N 3.17Å; K33-Y35 HydrophobicContact CB-CD2 4.29Å; K33-Y35 HydrophobicContact CB-CE2 3.6Å; K33-Y35 VanDerWaalsContact O-CD2 3.23Å; K33-Y35 WeakPolarHBondContact O-CD2 3.29Å | ||
| 34 | K | 98.2 | Very high | 96.5 | Very high | 143 Ų | 143 | 58.3 Ų | 58.3 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.7 | 172.5 | -170.9 | 172.1 | -69 | 175.1 | 0 | 109.6 | T49 Y50 | K34-T49 HydrophobicContact CD-CG2 3.89Å; K34-T49 HydrophobicContact CG-CG2 3.74Å; K34-Y50 WeakPolarHBondContact CA-O 3.31Å |
| 35 | Y | 98.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 26% | 0.255 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.3 | 177.8 | -69.1 | -84.3 | 0 | 0 | 0 | 110.5 | Q29 K33 T49 Y50 | Q29-Y35 HydrophobicContact CB-CD2 4.32Å; Q29-Y35 HydrophobicContact CB-CE2 3.87Å; Q29-Y35 VanDerWaalsContact OE1-CE1 3.24Å; Q29-Y35 VanDerWaalsContact OE1-CZ 3.28Å; Q29-Y35 PolarHBondContact OE1-OH 3.27Å; K33-Y35 HydrophobicContact CB-CD2 4.29Å; K33-Y35 HydrophobicContact CB-CE2 3.6Å; K33-Y35 VanDerWaalsContact O-CD2 3.23Å; K33-Y35 WeakPolarHBondContact O-CD2 3.29Å; Y35-T49 CarbonylContact O-C 3.59Å; Y35-T49 VanDerWaalsContact O-CA 3.3Å; Y35-T49 WeakPolarHBondContact O-CA 3.36Å; Y35-Y50 VanDerWaalsContact CB-CZ 3.43Å; Y35-Y50 WeakPolarHBondContact CB-OH 3.38Å; Y35-Y50 HydrophobicContact CD2-CE2 4.01Å; Y35-Y50 HydrophobicContact CG-CE2 4.33Å; Y35-Y50 PolarHBondContact N-O 3.32Å; Y35-Y50 PolarHBondContact O-N 2.71Å |
| 36 | S | 98.4 | Very high | 96.4 | Very high | 76 Ų | 76 | 53 Ų | 53 | 53% | 0.531 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.8 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | F48 T49 | S36-F48 CarbonylContact C-O 3.51Å; S36-F48 WeakPolarHBondContact CA-O 3.23Å; S36-T49 PolarHBondContact OG-OG1 2.95Å |
| 37 | S | 98.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.2 | 168.1 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | K24 T47 F48 | K24-S37 PolarHBondContact NZ-OG 3.25Å; S37-T47 WeakPolarHBondContact O-CA 3.3Å; S37-F48 PolarHBondContact N-O 3.23Å; S37-F48 PolarHBondContact O-N 2.84Å |
| 38 | T | 98.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 50 Ų | 50 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.6 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | K24 K45 C46 T47 | K24-T38 VanDerWaalsContact CD-O 3.22Å; K24-T38 WeakPolarHBondContact CD-O 3.23Å; K24-T38 PolarHBondContact NZ-O 3.01Å; T38-K45 HydrophobicContact CG2-CB 3.92Å; T38-K45 HydrophobicContact CG2-CG 4.22Å; T38-C46 CarbonylContact C-O 3.48Å; T38-C46 VanDerWaalsContact CA-O 3.27Å; T38-C46 WeakPolarHBondContact CA-O 3.36Å; T38-T47 WeakPolarHBondContact OG1-CG2 3.48Å; T38-T47 PolarHBondContact OG1-OG1 3.44Å |
| 39 | I | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.2 | 166.2 | -167.4 | 169.9 | 0 | 0 | 0 | 108.5 | I22 K24 C46 M62 L64 | I22-I39 HydrophobicContact CB-CD1 4.5Å; I22-I39 HydrophobicContact CD1-CD1 3.84Å; I22-I39 HydrophobicContact CD1-CG1 3.59Å; I22-I39 HydrophobicContact CG1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CG1 4.1Å; K24-I39 HydrophobicContact CB-CB 4.47Å; K24-I39 HydrophobicContact CB-CD1 3.87Å; K24-I39 HydrophobicContact CB-CG1 4.22Å; I39-C46 HydrophobicContact CG2-CB 3.93Å; I39-C46 PolarHBondContact N-O 3.29Å; I39-C46 PolarHBondContact O-N 3.26Å; I39-M62 HydrophobicContact CB-CB 4.23Å; I39-M62 HydrophobicContact CD1-CB 4.36Å; I39-M62 HydrophobicContact CG2-CB 3.97Å; I39-M62 HydrophobicContact CG2-CE 3.96Å; I39-M62 HydrophobicContact CG2-SD 4.4Å; I39-L64 HydrophobicContact CD1-CB 4.21Å; I39-L64 HydrophobicContact CG1-CB 4.39Å; I39-L64 HydrophobicContact CG2-CB 3.98Å |
| 40 | E | 95.8 | Very high | 96.5 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 135.9 | -172.9 | -177.6 | 171.7 | -175 | 0 | 0 | 111.5 | I22 I44 K45 | I22-E40 WeakPolarHBondContact CD1-O 3.29Å; E40-I44 VanDerWaalsContact CA-O 3.3Å; E40-I44 WeakPolarHBondContact CA-O 3.47Å; E40-K45 HydrophobicContact CB-CG 4.04Å; E40-K45 HydrophobicContact CG-CG 3.76Å; E40-K45 VanDerWaalsContact OE1-CE 3.28Å; E40-K45 WeakPolarHBondContact OE1-CE 3.33Å; E40-K45 WeakPolarHBondContact OE2-CE 3.48Å; E40-K45 IonicContact OE2-NZ 3.12Å |
| 41 | R | 91.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 139.3 | 173.2 | -169.7 | -172.3 | 175.5 | 139 | 5 | 108.9 | D18 S19 S20 I22 G43 I44 L64 | D18-R41 IonicContact OD1-NH2 2.71Å; S19-R41 VanDerWaalsContact O-CZ 3.29Å; S19-R41 PolarHBondContact O-NH1 3.16Å; S19-R41 PolarHBondContact O-NH2 3.03Å; S20-R41 PolarHBondContact O-NH1 3.11Å; S20-R41 VanDerWaalsContact O-NH1 3.17Å; I22-R41 HydrophobicContact CD1-CB 3.82Å; I22-R41 HydrophobicContact CD1-CG 4.47Å; I22-R41 HydrophobicContact CG1-CB 4.39Å; R41-G43 PolarHBondContact O-N 2.9Å; R41-G43 VanDerWaalsContact O-N 3.15Å; R41-I44 PolarHBondContact N-O 3.45Å; R41-I44 WeakPolarHBondContact O-CA 3.32Å; R41-I44 WeakPolarHBondContact O-CB 3Å; R41-I44 PolarHBondContact O-N 2.81Å; R41-L64 HydrophobicContact CB-CD2 3.51Å; R41-L64 HydrophobicContact CB-CG 4.07Å |
| 42 | D | 89.4 | Confident | 96.7 | Very high | 92 Ų | 92 | 47 Ų | 47 | 49% | 0.492 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.8 | 174.5 | -54.3 | -40.1 | 0 | 0 | 0 | 113.5 | I44 K66 Y73 | D42-I44 PolarHBondContact O-N 2.96Å; D42-K66 WeakPolarHBondContact OD2-CE 3.31Å; D42-K66 IonicContact OD2-NZ 3.9Å; D42-K66 PolarHBondContact OD2-NZ 2.88Å; D42-Y73 PolarHBondContact OD2-OH 2.86Å |
| 43 | G | 89.9 | Confident | 96.8 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -0.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | R41 | R41-G43 PolarHBondContact O-N 2.9Å; R41-G43 VanDerWaalsContact O-N 3.15Å |
| 44 | I | 92.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.4 | 177 | -53.6 | 171.9 | 0 | 0 | 0 | 108.9 | E40 R41 D42 Y73 V100 F147 | E40-I44 VanDerWaalsContact CA-O 3.3Å; E40-I44 WeakPolarHBondContact CA-O 3.47Å; R41-I44 PolarHBondContact N-O 3.45Å; R41-I44 WeakPolarHBondContact O-CA 3.32Å; R41-I44 WeakPolarHBondContact O-CB 3Å; R41-I44 PolarHBondContact O-N 2.81Å; D42-I44 PolarHBondContact O-N 2.96Å; I44-Y73 HydrophobicContact CD1-CD1 4.32Å; I44-Y73 HydrophobicContact CD1-CD2 3.96Å; I44-Y73 HydrophobicContact CD1-CE1 4.14Å; I44-Y73 HydrophobicContact CD1-CE2 3.83Å; I44-Y73 HydrophobicContact CD1-CG 4.25Å; I44-V100 HydrophobicContact CD1-CG1 3.9Å; I44-V100 HydrophobicContact CG1-CG1 4.09Å; I44-V100 HydrophobicContact CG2-CG1 4.08Å; I44-F147 HydrophobicContact CD1-CE2 3.95Å; I44-F147 HydrophobicContact CG2-CE2 3.62Å; I44-F147 HydrophobicContact CG2-CZ 3.95Å |
| 45 | K | 97.3 | Very high | 96.6 | Very high | 88 Ų | 88 | 42 Ų | 42 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.2 | 173.9 | -66.7 | 172.5 | 176.4 | 174.9 | 0 | 109.4 | T38 E40 V96 T97 | T38-K45 HydrophobicContact CG2-CB 3.92Å; T38-K45 HydrophobicContact CG2-CG 4.22Å; E40-K45 HydrophobicContact CB-CG 4.04Å; E40-K45 HydrophobicContact CG-CG 3.76Å; E40-K45 VanDerWaalsContact OE1-CE 3.28Å; E40-K45 WeakPolarHBondContact OE1-CE 3.33Å; E40-K45 WeakPolarHBondContact OE2-CE 3.48Å; E40-K45 IonicContact OE2-NZ 3.12Å; K45-V96 VanDerWaalsContact O-CA 3.3Å; K45-V96 WeakPolarHBondContact O-CA 3.29Å; K45-T97 HydrophobicContact CB-CG2 3.77Å; K45-T97 HydrophobicContact CD-CG2 4.48Å; K45-T97 PolarHBondContact N-OG1 3.3Å; K45-T97 PolarHBondContact O-N 2.67Å |
| 46 | C | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.5 | 167.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | T38 I39 M62 C75 L94 D95 V96 | T38-C46 CarbonylContact C-O 3.48Å; T38-C46 VanDerWaalsContact CA-O 3.27Å; T38-C46 WeakPolarHBondContact CA-O 3.36Å; I39-C46 HydrophobicContact CG2-CB 3.93Å; I39-C46 PolarHBondContact N-O 3.29Å; I39-C46 PolarHBondContact O-N 3.26Å; C46-M62 WeakPolarHBondContact O-CE 3.17Å; C46-C75 HydrophobicContact CB-CB 3.73Å; C46-C75 WeakPolarHBondContact CB-SG 3.22Å; C46-C75 WeakPolarHBondContact SG-CB 3.23Å; C46-C75 CovalentContact SG-SG 2.01Å; C46-C75 PolarHBondContact SG-SG 2.57Å; C46-L94 WeakPolarHBondContact SG-CD1 3.49Å; C46-D95 CarbonylContact C-O 3.56Å; C46-D95 WeakPolarHBondContact CA-O 3.46Å; C46-V96 HydrophobicContact CB-CG1 4.05Å |
| 47 | T | 98.7 | Very high | 96.4 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.6 | -174.4 | -59 | 0 | 0 | 0 | 0 | 110.5 | S37 T38 L94 D95 | S37-T47 WeakPolarHBondContact O-CA 3.3Å; T38-T47 WeakPolarHBondContact OG1-CG2 3.48Å; T38-T47 PolarHBondContact OG1-OG1 3.44Å; T47-L94 WeakPolarHBondContact O-CA 3.35Å; T47-D95 PolarHBondContact N-O 3.24Å; T47-D95 PolarHBondContact O-N 3.12Å |
| 48 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.7 | 168.9 | 178.2 | -127.7 | 0 | 0 | 0 | 109.4 | F26 V28 S36 S37 Y50 M62 V77 F89 F92 K93 L94 L140 L143 | F26-F48 AromaticContact CE2-CD1 3.93Å; F26-F48 HydrophobicContact CE2-CD1 3.93Å; F26-F48 HydrophobicContact CE2-CE1 4.18Å; F26-F48 AromaticContact CZ-CD1 3.66Å; F26-F48 HydrophobicContact CZ-CD1 3.66Å; F26-F48 HydrophobicContact CZ-CE1 4.02Å; V28-F48 HydrophobicContact CG2-CE1 4.42Å; S36-F48 CarbonylContact C-O 3.51Å; S36-F48 WeakPolarHBondContact CA-O 3.23Å; S37-F48 PolarHBondContact N-O 3.23Å; S37-F48 PolarHBondContact O-N 2.84Å; F48-Y50 AromaticContact CD1-CD1 3.62Å; F48-Y50 HydrophobicContact CD1-CD1 3.62Å; F48-Y50 HydrophobicContact CD1-CE1 4.23Å; F48-Y50 AromaticContact CE1-CD1 3.29Å; F48-Y50 HydrophobicContact CE1-CD1 3.29Å; F48-Y50 HydrophobicContact CE1-CE1 4.05Å; F48-Y50 AromaticContact CE1-CG 3.82Å; F48-Y50 HydrophobicContact CE1-CG 3.82Å; F48-Y50 AromaticContact CZ-CD1 3.99Å; F48-Y50 HydrophobicContact CZ-CD1 3.99Å; F48-Y50 HydrophobicContact CZ-CG 4.1Å; F48-M62 HydrophobicContact CB-CE 3.89Å; F48-M62 HydrophobicContact CB-SD 4.25Å; F48-V77 HydrophobicContact CB-CG1 4.28Å; F48-V77 HydrophobicContact CB-CG2 3.94Å; F48-V77 HydrophobicContact CD1-CG1 3.72Å; F48-V77 HydrophobicContact CD2-CG1 4.18Å; F48-V77 HydrophobicContact CD2-CG2 4.4Å; F48-V77 HydrophobicContact CE1-CG1 4.01Å; F48-V77 HydrophobicContact CE2-CG1 4.45Å; F48-V77 HydrophobicContact CG-CG1 3.81Å; F48-V77 HydrophobicContact CG-CG2 4.18Å; F48-V77 HydrophobicContact CZ-CG1 4.37Å; F48-F89 HydrophobicContact CZ-CE1 4.31Å; F48-F92 HydrophobicContact CE2-CB 4.03Å; F48-K93 CarbonylContact C-O 3.54Å; F48-K93 WeakPolarHBondContact CA-O 3.24Å; F48-K93 WeakPolarHBondContact CD2-O 3.16Å; F48-L94 HydrophobicContact CB-CD1 4.14Å; F48-L140 HydrophobicContact CE2-CD2 4.29Å; F48-L140 HydrophobicContact CZ-CD2 4.21Å; F48-L143 HydrophobicContact CD2-CD1 3.92Å; F48-L143 HydrophobicContact CE2-CD1 3.6Å |
| 49 | T | 98.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | K34 Y35 S36 F92 K93 | K34-T49 HydrophobicContact CD-CG2 3.89Å; K34-T49 HydrophobicContact CG-CG2 3.74Å; Y35-T49 CarbonylContact O-C 3.59Å; Y35-T49 VanDerWaalsContact O-CA 3.3Å; Y35-T49 WeakPolarHBondContact O-CA 3.36Å; S36-T49 PolarHBondContact OG-OG1 2.95Å; T49-F92 CarbonylContact O-C 3.58Å; T49-F92 WeakPolarHBondContact O-CA 3.32Å; T49-K93 PolarHBondContact N-O 3.28Å; T49-K93 PolarHBondContact O-N 2.84Å |
| 50 | Y | 98.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.3 | -177.1 | 67.9 | -87.3 | 0 | 0 | 0 | 112.6 | F26 S27 V28 Q29 K34 Y35 F48 F89 S91 | F26-Y50 HydrophobicContact CE2-CE1 4.07Å; S27-Y50 PolarHBondContact O-OH 2.86Å; V28-Y50 WeakPolarHBondContact CA-OH 3.15Å; V28-Y50 HydrophobicContact CB-CE2 4.28Å; V28-Y50 HydrophobicContact CG1-CD2 4.1Å; V28-Y50 HydrophobicContact CG1-CE2 3.7Å; V28-Y50 HydrophobicContact CG2-CE1 4.28Å; V28-Y50 HydrophobicContact CG2-CE2 4.39Å; Q29-Y50 PolarHBondContact N-OH 3.12Å; Q29-Y50 VanDerWaalsContact N-OH 3.08Å; K34-Y50 WeakPolarHBondContact CA-O 3.31Å; Y35-Y50 VanDerWaalsContact CB-CZ 3.43Å; Y35-Y50 WeakPolarHBondContact CB-OH 3.38Å; Y35-Y50 HydrophobicContact CD2-CE2 4.01Å; Y35-Y50 HydrophobicContact CG-CE2 4.33Å; Y35-Y50 PolarHBondContact N-O 3.32Å; Y35-Y50 PolarHBondContact O-N 2.71Å; F48-Y50 AromaticContact CD1-CD1 3.62Å; F48-Y50 HydrophobicContact CD1-CD1 3.62Å; F48-Y50 HydrophobicContact CD1-CE1 4.23Å; F48-Y50 AromaticContact CE1-CD1 3.29Å; F48-Y50 HydrophobicContact CE1-CD1 3.29Å; F48-Y50 HydrophobicContact CE1-CE1 4.05Å; F48-Y50 AromaticContact CE1-CG 3.82Å; F48-Y50 HydrophobicContact CE1-CG 3.82Å; F48-Y50 AromaticContact CZ-CD1 3.99Å; F48-Y50 HydrophobicContact CZ-CD1 3.99Å; F48-Y50 HydrophobicContact CZ-CG 4.1Å; Y50-F89 HydrophobicContact CD2-CE1 4.34Å; Y50-F89 HydrophobicContact CG-CE1 4.41Å; Y50-S91 WeakPolarHBondContact CA-O 3.41Å |
| 51 | E | 98.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.9 | 167.4 | -171.6 | -168.9 | 145.4 | 0 | 0 | 108.4 | G32 Q90 S91 | G32-E51 WeakPolarHBondContact O-CG 3.47Å; E51-Q90 PolarHBondContact O-N 2.85Å; E51-Q90 PolarHBondContact OE1-NE2 3.14Å; E51-S91 VanDerWaalsContact CB-OG 3.31Å; E51-S91 WeakPolarHBondContact CB-OG 3.36Å; E51-S91 PolarHBondContact N-O 2.88Å; E51-S91 PolarHBondContact O-N 2.92Å; E51-S91 VanDerWaalsContact O-N 3.16Å |
| 52 | C | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.9 | -173.7 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | Q29 G31 G32 I87 Y88 F89 | Q29-C52 PolarHBondContact O-SG 2.87Å; Q29-C52 VanDerWaalsContact O-SG 3.38Å; G31-C52 PolarHBondContact N-O 3.38Å; G32-C52 PolarHBondContact N-O 3.08Å; C52-I87 HydrophobicContact CB-CG2 3.28Å; C52-I87 VanDerWaalsContact SG-CG2 3.52Å; C52-Y88 CarbonylContact C-O 3.57Å; C52-Y88 VanDerWaalsContact CA-O 3.23Å; C52-Y88 WeakPolarHBondContact CA-O 3.47Å; C52-Y88 VanDerWaalsContact CB-O 3.29Å; C52-Y88 WeakPolarHBondContact CB-O 3.32Å; C52-F89 HydrophobicContact CB-CD1 3.99Å; C52-F89 HydrophobicContact CB-CE1 4.4Å; C52-F89 HydrophobicContact CB-CG 4.31Å |
| 53 | Q | 98.4 | Very high | 97.2 | Very high | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 157.4 | 174 | -59.5 | -63.3 | -18.2 | 0 | 0 | 109.7 | P30 G32 Y88 Q90 | P30-Q53 VanDerWaalsContact CB-C 3.49Å; G32-Q53 VanDerWaalsContact N-NE2 3.15Å; Q53-Y88 PolarHBondContact N-O 2.89Å; Q53-Y88 PolarHBondContact O-N 2.95Å; Q53-Q90 HydrophobicContact CG-CG 4.42Å; Q53-Q90 VanDerWaalsContact NE2-NE2 3.16Å |
| 54 | G | 96.2 | Very high | 97.5 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | trans | 159.4 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P30 | P30-G54 VanDerWaalsContact CB-N 3.27Å; P30-G54 WeakPolarHBondContact CB-O 3.25Å; P30-G54 WeakPolarHBondContact CG-O 3.34Å | ||
| 55 | G | 94.1 | Very high | 97.7 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 86% | 0.856 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -90.8 | -22.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 56 | T | 95.7 | Very high | 97.4 | Very high | 98 Ų | 98 | 37.8 Ų | 37.8 | 60% | 0.601 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -142 | 155.2 | -173.8 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | I87 | T56-I87 VanDerWaalsContact O-CD1 3.29Å; T56-I87 WeakPolarHBondContact O-CD1 3.42Å |
| 57 | N | 97.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 41.9 Ų | 41.9 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | trans | -71 | 148 | 170.3 | -66.1 | -5.5 | 0 | 0 | 0 | 110.2 | V28 P30 | V28-N57 VanDerWaalsContact O-CA 3.32Å; V28-N57 WeakPolarHBondContact O-CA 3.47Å; P30-N57 VanDerWaalsContact CD-OD1 3.31Å; P30-N57 WeakPolarHBondContact CD-OD1 3.29Å | ||
| 58 | E | 98 | Very high | 95.6 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.8 | 172.9 | -74 | -167.9 | 165.5 | 0 | 0 | 111.5 | S27 V28 W60 R79 S85 Y86 I87 | S27-E58 CarbonylContact C-O 3.52Å; S27-E58 VanDerWaalsContact CA-O 3.29Å; S27-E58 WeakPolarHBondContact CA-O 3.5Å; V28-E58 PolarHBondContact N-O 3.19Å; V28-E58 PolarHBondContact O-N 3.41Å; V28-E58 VanDerWaalsContact O-N 3.11Å; E58-W60 PolarHBondContact OE2-NE1 3.08Å; E58-R79 IonicContact OE1-NE 3.93Å; E58-R79 VanDerWaalsContact OE2-CD 3.25Å; E58-R79 WeakPolarHBondContact OE2-CD 3.31Å; E58-R79 IonicContact OE2-NE 3.94Å; E58-R79 PolarHBondContact OE2-NE 2.85Å; E58-R79 VanDerWaalsContact OE2-NE 3.12Å; E58-S85 WeakPolarHBondContact OE2-CB 3.42Å; E58-S85 PolarHBondContact OE2-OG 3.38Å; E58-Y86 PolarHBondContact OE1-N 2.82Å; E58-I87 HydrophobicContact CB-CG1 4.24Å; E58-I87 VanDerWaalsContact CD-CG1 3.5Å; E58-I87 HydrophobicContact CG-CD1 4.14Å; E58-I87 HydrophobicContact CG-CG1 3.77Å |
| 59 | K | 98.2 | Very high | 94.4 | Very high | 147 Ų | 147 | 56.4 Ų | 56.4 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.9 | 174.7 | -68.8 | -173.2 | 179.6 | -176.1 | 0 | 110.5 | R79 S80 | K59-R79 WeakPolarHBondContact O-CD 3.31Å; K59-R79 PolarHBondContact O-NH1 3.17Å; K59-S80 WeakPolarHBondContact O-CB 3Å; K59-S80 PolarHBondContact O-N 3.22Å; K59-S80 PolarHBondContact O-OG 2.96Å |
| 60 | W | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 165.9 | 178.8 | -75.1 | 65.5 | 0 | 0 | 0 | 109.4 | E25 F26 V28 E58 V77 E78 R79 F89 L140 | E25-W60 WeakPolarHBondContact CA-O 3.39Å; F26-W60 HydrophobicContact CD1-CB 4.07Å; F26-W60 HydrophobicContact CD2-CB 4.46Å; F26-W60 HydrophobicContact CE1-CB 3.52Å; F26-W60 HydrophobicContact CE2-CB 3.98Å; F26-W60 HydrophobicContact CZ-CB 3.47Å; F26-W60 VanDerWaalsContact CZ-CB 3.47Å; F26-W60 HydrophobicContact CZ-CG 4.29Å; F26-W60 PolarHBondContact N-O 2.84Å; F26-W60 PolarHBondContact O-N 2.8Å; F26-W60 VanDerWaalsContact O-O 3.05Å; V28-W60 HydrophobicContact CB-CG 4.29Å; V28-W60 HydrophobicContact CG2-CB 4.1Å; V28-W60 HydrophobicContact CG2-CD2 3.73Å; V28-W60 HydrophobicContact CG2-CG 3.47Å; V28-W60 VanDerWaalsContact CG2-CG 3.47Å; E58-W60 PolarHBondContact OE2-NE1 3.08Å; W60-V77 HydrophobicContact CE3-CG1 3.95Å; W60-V77 HydrophobicContact CZ3-CG1 4.28Å; W60-E78 CarbonylContact C-O 3.58Å; W60-E78 VanDerWaalsContact CA-O 3.31Å; W60-E78 WeakPolarHBondContact CA-O 3.41Å; W60-R79 HydrophobicContact CD2-CB 4.27Å; W60-R79 HydrophobicContact CH2-CB 4.43Å; W60-R79 HydrophobicContact CZ2-CB 4.06Å; W60-R79 VanDerWaalsContact NE1-CD 3.31Å; W60-F89 HydrophobicContact CH2-CE2 4.13Å; W60-F89 AromaticContact CH2-CZ 3.81Å; W60-F89 HydrophobicContact CH2-CZ 3.81Å; W60-F89 AromaticContact CZ2-CE2 3.8Å; W60-F89 HydrophobicContact CZ2-CE2 3.8Å; W60-F89 AromaticContact CZ2-CZ 3.49Å; W60-F89 HydrophobicContact CZ2-CZ 3.49Å; W60-F89 VanDerWaalsContact CZ2-CZ 3.49Å; W60-L140 HydrophobicContact CH2-CD2 4.41Å; W60-L140 HydrophobicContact CH2-CG 4.28Å; W60-L140 WeakPolarHBondContact CH2-O 3.22Å |
| 61 | H | 98.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 66 Ų | 66 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.1 | 172.5 | 63.2 | -88.9 | 0 | 0 | 0 | 111.6 | K23 K24 E25 V77 E78 S80 | K23-H61 HydrophobicContact CG-CB 4.3Å; K24-H61 CarbonylContact O-C 3.54Å; K24-H61 WeakPolarHBondContact O-CA 3.43Å; K24-H61 WeakPolarHBondContact O-CB 3.4Å; E25-H61 HydrophobicContact CG-CB 4.31Å; H61-V77 WeakPolarHBondContact O-CA 3.47Å; H61-E78 IonicContact CE1-OE2 2.87Å; H61-E78 PolarHBondContact N-O 2.88Å; H61-E78 PolarHBondContact ND1-O 3.06Å; H61-E78 IonicContact NE2-OE2 3.93Å; H61-E78 PolarHBondContact O-N 3.46Å; H61-S80 PolarHBondContact ND1-OG 3.3Å |
| 62 | M | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.2 | 168 | -54.4 | -178.2 | 72.7 | 0 | 0 | 109 | K23 K24 F26 I39 C46 F48 V76 V77 L94 | K23-M62 CarbonylContact C-O 3.58Å; K23-M62 VanDerWaalsContact CA-O 3.3Å; K23-M62 WeakPolarHBondContact CA-O 3.27Å; K24-M62 PolarHBondContact N-O 2.84Å; K24-M62 PolarHBondContact O-N 2.93Å; F26-M62 HydrophobicContact CD1-CG 4.2Å; F26-M62 HydrophobicContact CE1-CG 3.69Å; I39-M62 HydrophobicContact CB-CB 4.23Å; I39-M62 HydrophobicContact CD1-CB 4.36Å; I39-M62 HydrophobicContact CG2-CB 3.97Å; I39-M62 HydrophobicContact CG2-CE 3.96Å; I39-M62 HydrophobicContact CG2-SD 4.4Å; C46-M62 WeakPolarHBondContact O-CE 3.17Å; F48-M62 HydrophobicContact CB-CE 3.89Å; F48-M62 HydrophobicContact CB-SD 4.25Å; M62-V76 CarbonylContact C-O 3.57Å; M62-V76 WeakPolarHBondContact CA-O 3.37Å; M62-V77 HydrophobicContact CE-CG2 3.86Å; M62-V77 HydrophobicContact CG-CG1 4.42Å; M62-V77 HydrophobicContact CG-CG2 4.12Å; M62-L94 HydrophobicContact CE-CD1 4.17Å |
| 63 | I | 97.8 | Very high | 92 | Very high | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.8 | 171.5 | -66.8 | 160.3 | 0 | 0 | 0 | 108.2 | I22 K23 S65 C75 V76 | I22-I63 VanDerWaalsContact O-CA 3.29Å; I22-I63 WeakPolarHBondContact O-CA 3.38Å; K23-I63 HydrophobicContact CB-CG1 4.18Å; K23-I63 HydrophobicContact CG-CG1 4.02Å; I63-S65 VanDerWaalsContact CG2-OG 3.31Å; I63-S65 WeakPolarHBondContact CG2-OG 3.43Å; I63-C75 CarbonylContact O-C 3.49Å; I63-C75 VanDerWaalsContact O-CA 3.3Å; I63-C75 WeakPolarHBondContact O-CA 3.36Å; I63-V76 PolarHBondContact N-O 2.73Å; I63-V76 PolarHBondContact O-N 3.4Å |
| 64 | L | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.3 | 170.6 | 176.5 | 55.6 | 0 | 0 | 0 | 108.7 | S21 I22 I39 R41 Y73 G74 C75 F147 | S21-L64 WeakPolarHBondContact CA-O 3.49Å; I22-L64 HydrophobicContact CD1-CB 4.38Å; I22-L64 HydrophobicContact CG1-CB 3.94Å; I22-L64 PolarHBondContact N-O 2.91Å; I22-L64 PolarHBondContact O-N 2.83Å; I39-L64 HydrophobicContact CD1-CB 4.21Å; I39-L64 HydrophobicContact CG1-CB 4.39Å; I39-L64 HydrophobicContact CG2-CB 3.98Å; R41-L64 HydrophobicContact CB-CD2 3.51Å; R41-L64 HydrophobicContact CB-CG 4.07Å; L64-Y73 HydrophobicContact CD1-CD1 4.21Å; L64-G74 WeakPolarHBondContact CA-O 3.16Å; L64-C75 HydrophobicContact CD1-CB 4.38Å; L64-F147 HydrophobicContact CD1-CE1 4.42Å; L64-F147 HydrophobicContact CD1-CZ 3.71Å |
| 65 | S | 95.1 | Very high | 92 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.9 | -173.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | S20 S21 I63 Y73 G74 | S20-S65 CarbonylContact O-C 3.52Å; S20-S65 VanDerWaalsContact O-CA 3.28Å; S20-S65 WeakPolarHBondContact O-CA 3.46Å; S21-S65 WeakPolarHBondContact CB-OG 3.35Å; I63-S65 VanDerWaalsContact CG2-OG 3.31Å; I63-S65 WeakPolarHBondContact CG2-OG 3.43Å; S65-Y73 CarbonylContact O-C 3.46Å; S65-Y73 WeakPolarHBondContact O-CA 3.38Å; S65-G74 PolarHBondContact N-O 2.91Å; S65-G74 PolarHBondContact O-N 2.78Å |
| 66 | K | 92.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.4 | 155.3 | -69.7 | -174.9 | -179.8 | -175.2 | 0 | 108.4 | S20 D42 G72 Y73 | S20-K66 PolarHBondContact O-N 3.45Å; D42-K66 WeakPolarHBondContact OD2-CE 3.31Å; D42-K66 IonicContact OD2-NZ 3.9Å; D42-K66 PolarHBondContact OD2-NZ 2.88Å; K66-G72 CarbonylContact C-O 3.54Å; K66-G72 WeakPolarHBondContact CA-O 3.34Å; K66-Y73 HydrophobicContact CD-CE1 4.36Å; K66-Y73 VanDerWaalsContact CE-OH 3.3Å; K66-Y73 WeakPolarHBondContact CE-OH 3.27Å; K66-Y73 HydrophobicContact CG-CD1 3.99Å; K66-Y73 HydrophobicContact CG-CE1 3.55Å |
| 67 | I | 84.9 | Confident | 92.3 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -36.9 | -174 | -54.8 | 177.9 | 0 | 0 | 0 | 111.7 | G72 | I67-G72 PolarHBondContact N-O 2.92Å |
| 68 | R | 73.4 | Confident | 92.4 | Very high | 178 Ų | 178 | 49.5 Ų | 49.5 | 67% | 0.672 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 135.8 | -175.6 | -54.5 | -176.5 | -168.4 | 172.4 | 5.1 | 111.5 | D70 K71 G72 | R68-D70 VanDerWaalsContact C-N 3.27Å; R68-D70 PolarHBondContact O-N 3Å; R68-K71 PolarHBondContact O-N 2.76Å; R68-K71 VanDerWaalsContact O-N 3.15Å; R68-G72 PolarHBondContact O-N 2.92Å |
| 69 | D | 72.6 | Confident | 92.4 | Very high | 150 Ų | 150 | 51.3 Ų | 51.3 | 80% | 0.802 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 42.8 | 161.7 | -51 | -30.4 | 0 | 0 | 0 | 115.9 | K71 | D69-K71 PolarHBondContact O-N 3Š|
| 70 | D | 72.2 | Confident | 92.3 | Very high | 112 Ų | 112 | 45.4 Ų | 45.4 | 60% | 0.599 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -4.2 | -177.8 | -64.8 | -38.5 | 0 | 0 | 0 | 117.7 | R68 Y73 | R68-D70 VanDerWaalsContact C-N 3.27Å; R68-D70 PolarHBondContact O-N 3Å; D70-Y73 PolarHBondContact O-OH 3.3Å |
| 71 | K | 84.7 | Confident | 91.9 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -25.4 | -175.4 | -64.8 | -177.9 | -177.2 | 176.2 | 0 | 113.6 | R68 D69 Y73 V148 S149 | R68-K71 PolarHBondContact O-N 2.76Å; R68-K71 VanDerWaalsContact O-N 3.15Å; D69-K71 PolarHBondContact O-N 3Å; K71-Y73 WeakPolarHBondContact O-CD2 3.42Å; K71-Y73 VanDerWaalsContact O-CE2 3.31Å; K71-Y73 WeakPolarHBondContact O-CE2 3.37Å; K71-V148 CarbonylContact O-C 3.46Å; K71-V148 WeakPolarHBondContact O-CA 2.8Å; K71-S149 PolarHBondContact O-N 3.25Å |
| 72 | G | 92.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K66 I67 R68 | K66-G72 CarbonylContact C-O 3.54Å; K66-G72 WeakPolarHBondContact CA-O 3.34Å; I67-G72 PolarHBondContact N-O 2.92Å; R68-G72 PolarHBondContact O-N 2.92Å |
| 73 | Y | 95.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.7 | 179.6 | -65.4 | -102.6 | 0 | 0 | 0 | 111.4 | D42 I44 L64 S65 K66 D70 K71 E146 F147 | D42-Y73 PolarHBondContact OD2-OH 2.86Å; I44-Y73 HydrophobicContact CD1-CD1 4.32Å; I44-Y73 HydrophobicContact CD1-CD2 3.96Å; I44-Y73 HydrophobicContact CD1-CE1 4.14Å; I44-Y73 HydrophobicContact CD1-CE2 3.83Å; I44-Y73 HydrophobicContact CD1-CG 4.25Å; L64-Y73 HydrophobicContact CD1-CD1 4.21Å; S65-Y73 CarbonylContact O-C 3.46Å; S65-Y73 WeakPolarHBondContact O-CA 3.38Å; K66-Y73 HydrophobicContact CD-CE1 4.36Å; K66-Y73 VanDerWaalsContact CE-OH 3.3Å; K66-Y73 WeakPolarHBondContact CE-OH 3.27Å; K66-Y73 HydrophobicContact CG-CD1 3.99Å; K66-Y73 HydrophobicContact CG-CE1 3.55Å; D70-Y73 PolarHBondContact O-OH 3.3Å; K71-Y73 WeakPolarHBondContact O-CD2 3.42Å; K71-Y73 VanDerWaalsContact O-CE2 3.31Å; K71-Y73 WeakPolarHBondContact O-CE2 3.37Å; Y73-E146 WeakPolarHBondContact O-CA 3.45Å; Y73-F147 VanDerWaalsContact CB-CZ 3.45Å; Y73-F147 HydrophobicContact CD1-CE2 4.45Å; Y73-F147 HydrophobicContact CD2-CD2 4.42Å; Y73-F147 HydrophobicContact CD2-CE2 4.12Å; Y73-F147 HydrophobicContact CG-CD2 4.34Å; Y73-F147 AromaticContact CG-CE2 3.71Å; Y73-F147 HydrophobicContact CG-CE2 3.71Å; Y73-F147 HydrophobicContact CG-CZ 4.25Å; Y73-F147 PolarHBondContact N-O 2.98Å; Y73-F147 PolarHBondContact O-N 3.2Å |
| 74 | G | 96.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L64 S65 L145 | L64-G74 WeakPolarHBondContact CA-O 3.16Å; S65-G74 PolarHBondContact N-O 2.91Å; S65-G74 PolarHBondContact O-N 2.78Å; G74-L145 WeakPolarHBondContact CA-O 3.11Å |
| 75 | C | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.5 | 169.4 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | C46 I63 L64 S144 L145 F147 | C46-C75 HydrophobicContact CB-CB 3.73Å; C46-C75 WeakPolarHBondContact CB-SG 3.22Å; C46-C75 WeakPolarHBondContact SG-CB 3.23Å; C46-C75 CovalentContact SG-SG 2.01Å; C46-C75 PolarHBondContact SG-SG 2.57Å; I63-C75 CarbonylContact O-C 3.49Å; I63-C75 VanDerWaalsContact O-CA 3.3Å; I63-C75 WeakPolarHBondContact O-CA 3.36Å; L64-C75 HydrophobicContact CD1-CB 4.38Å; C75-S144 CarbonylContact O-C 3.51Å; C75-S144 VanDerWaalsContact O-CA 3.3Å; C75-S144 WeakPolarHBondContact O-CA 3.14Å; C75-L145 PolarHBondContact N-O 3.11Å; C75-L145 PolarHBondContact O-N 2.91Å; C75-F147 HydrophobicContact CB-CE1 4Å |
| 76 | V | 98.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.7 | 178.3 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | M62 I63 E78 R142 L143 | M62-V76 CarbonylContact C-O 3.57Å; M62-V76 WeakPolarHBondContact CA-O 3.37Å; I63-V76 PolarHBondContact N-O 2.73Å; I63-V76 PolarHBondContact O-N 3.4Å; V76-E78 HydrophobicContact CG1-CB 4.25Å; V76-R142 HydrophobicContact CG1-CG 4.33Å; V76-L143 WeakPolarHBondContact CA-O 3.31Å |
| 77 | V | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.4 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | F26 F48 W60 H61 M62 L94 R142 L143 | F26-V77 HydrophobicContact CE1-CG1 4.3Å; F26-V77 HydrophobicContact CZ-CG1 4.01Å; F48-V77 HydrophobicContact CB-CG1 4.28Å; F48-V77 HydrophobicContact CB-CG2 3.94Å; F48-V77 HydrophobicContact CD1-CG1 3.72Å; F48-V77 HydrophobicContact CD2-CG1 4.18Å; F48-V77 HydrophobicContact CD2-CG2 4.4Å; F48-V77 HydrophobicContact CE1-CG1 4.01Å; F48-V77 HydrophobicContact CE2-CG1 4.45Å; F48-V77 HydrophobicContact CG-CG1 3.81Å; F48-V77 HydrophobicContact CG-CG2 4.18Å; F48-V77 HydrophobicContact CZ-CG1 4.37Å; W60-V77 HydrophobicContact CE3-CG1 3.95Å; W60-V77 HydrophobicContact CZ3-CG1 4.28Å; H61-V77 WeakPolarHBondContact O-CA 3.47Å; M62-V77 HydrophobicContact CE-CG2 3.86Å; M62-V77 HydrophobicContact CG-CG1 4.42Å; M62-V77 HydrophobicContact CG-CG2 4.12Å; V77-L94 HydrophobicContact CG2-CD1 3.53Å; V77-L94 HydrophobicContact CG2-CD2 3.94Å; V77-L94 HydrophobicContact CG2-CG 4.32Å; V77-R142 CarbonylContact O-C 3.55Å; V77-R142 VanDerWaalsContact O-CA 3.25Å; V77-R142 WeakPolarHBondContact O-CA 3.5Å; V77-L143 HydrophobicContact CB-CB 4.37Å; V77-L143 PolarHBondContact N-O 2.86Å; V77-L143 PolarHBondContact O-N 2.78Å |
| 78 | E | 98.1 | Very high | 92 | Very high | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 148.4 | -171.9 | -175.5 | 172.1 | -115.3 | 0 | 0 | 113.4 | W60 H61 V76 S80 T141 R142 | W60-E78 CarbonylContact C-O 3.58Å; W60-E78 VanDerWaalsContact CA-O 3.31Å; W60-E78 WeakPolarHBondContact CA-O 3.41Å; H61-E78 IonicContact CE1-OE2 2.87Å; H61-E78 PolarHBondContact N-O 2.88Å; H61-E78 PolarHBondContact ND1-O 3.06Å; H61-E78 IonicContact NE2-OE2 3.93Å; H61-E78 PolarHBondContact O-N 3.46Å; V76-E78 HydrophobicContact CG1-CB 4.25Å; E78-S80 PolarHBondContact O-N 3.4Å; E78-T141 CarbonylContact C-O 3.53Å; E78-T141 VanDerWaalsContact CA-O 3.31Å; E78-T141 WeakPolarHBondContact CA-O 3.22Å; E78-R142 HydrophobicContact CB-CG 4.34Å; E78-R142 VanDerWaalsContact CD-NH1 3.32Å; E78-R142 HydrophobicContact CG-CB 4.33Å; E78-R142 HydrophobicContact CG-CG 4.37Å; E78-R142 WeakPolarHBondContact OE1-CD 3.48Å; E78-R142 IonicContact OE1-CZ 3.72Å; E78-R142 IonicContact OE1-NE 3.44Å; E78-R142 IonicContact OE1-NH1 2.8Å; E78-R142 PolarHBondContact OE1-NH1 2.98Å; E78-R142 IonicContact OE2-NH1 3.7Å; E78-R142 PolarHBondContact OE2-NH1 3.15Å |
| 79 | R | 97.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 122.2 | 170 | 179.5 | 63.9 | -179.2 | 84.3 | 12.3 | 110.7 | E58 K59 W60 G81 T141 | E58-R79 IonicContact OE1-NE 3.93Å; E58-R79 VanDerWaalsContact OE2-CD 3.25Å; E58-R79 WeakPolarHBondContact OE2-CD 3.31Å; E58-R79 IonicContact OE2-NE 3.94Å; E58-R79 PolarHBondContact OE2-NE 2.85Å; E58-R79 VanDerWaalsContact OE2-NE 3.12Å; K59-R79 WeakPolarHBondContact O-CD 3.31Å; K59-R79 PolarHBondContact O-NH1 3.17Å; W60-R79 HydrophobicContact CD2-CB 4.27Å; W60-R79 HydrophobicContact CH2-CB 4.43Å; W60-R79 HydrophobicContact CZ2-CB 4.06Å; W60-R79 VanDerWaalsContact NE1-CD 3.31Å; R79-G81 PolarHBondContact O-N 2.85Å; R79-T141 PolarHBondContact N-O 3.49Å |
| 80 | S | 96.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 122.5 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | K59 H61 E78 S82 | K59-S80 WeakPolarHBondContact O-CB 3Å; K59-S80 PolarHBondContact O-N 3.22Å; K59-S80 PolarHBondContact O-OG 2.96Å; H61-S80 PolarHBondContact ND1-OG 3.3Å; E78-S80 PolarHBondContact O-N 3.4Å; S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 2.85Å |
| 81 | G | 90.7 | Very high | 95.7 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 96% | 0.959 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 11.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R79 | R79-G81 PolarHBondContact O-N 2.85Š|
| 82 | S | 90.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | trans | -150.2 | 138.6 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | S80 T84 | S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 2.85Å; S82-T84 PolarHBondContact O-N 3.08Å; S82-T84 PolarHBondContact OG-N 2.92Å; S82-T84 PolarHBondContact OG-O 2.91Å | ||
| 83 | Q | 92.4 | Very high | 96.6 | Very high | 109 Ų | 109 | 45.2 Ų | 45.2 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -83.8 | 7.4 | 169.5 | -66.4 | 175.8 | 71.7 | 0 | 0 | 112.3 | N110 N111 N112 | Q83-N110 CarbonylContact O-C 3.48Å; Q83-N110 WeakPolarHBondContact O-CA 3.31Å; Q83-N111 PolarHBondContact O-N 2.86Å; Q83-N112 PolarHBondContact OE1-ND2 2.96Å |
| 84 | T | 96 | Very high | 96.8 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | trans | -129 | 129.9 | -179.8 | -60 | 0 | 0 | 0 | 0 | 110 | S82 Y86 N110 | S82-T84 PolarHBondContact O-N 3.08Å; S82-T84 PolarHBondContact OG-N 2.92Å; S82-T84 PolarHBondContact OG-O 2.91Å; T84-Y86 HydrophobicContact CG2-CD1 4.33Å; T84-Y86 HydrophobicContact CG2-CE1 3.87Å; T84-Y86 HydrophobicContact CG2-CE2 4.15Å; T84-N110 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 85 | S | 97.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | trans | -107.9 | 137.9 | 163.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | E58 I87 N110 L140 | E58-S85 WeakPolarHBondContact OE2-CB 3.42Å; E58-S85 PolarHBondContact OE2-OG 3.38Å; S85-I87 WeakPolarHBondContact OG-CB 3.36Å; S85-I87 PolarHBondContact OG-N 3.5Å; S85-N110 PolarHBondContact N-OD1 2.71Å; S85-N110 PolarHBondContact O-ND2 2.95Å; S85-N110 PolarHBondContact O-OD1 2.93Å; S85-L140 VanDerWaalsContact CB-O 3.27Å; S85-L140 WeakPolarHBondContact CB-O 3.41Å | ||
| 86 | Y | 95.9 | Very high | 96.9 | Very high | 189 Ų | 189 | 46.3 Ų | 46.3 | 74% | 0.741 | 24% | 0.241 | S | C | * | . | trans | -100.1 | 4.9 | 173.9 | -59.6 | -76.3 | 0 | 0 | 0 | 112.1 | E58 T84 | E58-Y86 PolarHBondContact OE1-N 2.82Å; T84-Y86 HydrophobicContact CG2-CD1 4.33Å; T84-Y86 HydrophobicContact CG2-CE1 3.87Å; T84-Y86 HydrophobicContact CG2-CE2 4.15Å | ||
| 87 | I | 97.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -76.4 | 133.6 | 175.1 | -62.9 | -66.9 | 0 | 0 | 0 | 109.1 | V28 P30 C52 T56 E58 S85 F89 | V28-I87 HydrophobicContact CG1-CG1 4.2Å; V28-I87 HydrophobicContact CG1-CG2 4.17Å; P30-I87 HydrophobicContact CB-CD1 4.32Å; P30-I87 HydrophobicContact CG-CD1 4.29Å; C52-I87 HydrophobicContact CB-CG2 3.28Å; C52-I87 VanDerWaalsContact SG-CG2 3.52Å; T56-I87 VanDerWaalsContact O-CD1 3.29Å; T56-I87 WeakPolarHBondContact O-CD1 3.42Å; E58-I87 HydrophobicContact CB-CG1 4.24Å; E58-I87 VanDerWaalsContact CD-CG1 3.5Å; E58-I87 HydrophobicContact CG-CD1 4.14Å; E58-I87 HydrophobicContact CG-CG1 3.77Å; S85-I87 WeakPolarHBondContact OG-CB 3.36Å; S85-I87 PolarHBondContact OG-N 3.5Å; I87-F89 HydrophobicContact CB-CD2 4.16Å; I87-F89 HydrophobicContact CB-CE2 3.73Å; I87-F89 HydrophobicContact CB-CZ 4.23Å; I87-F89 HydrophobicContact CG2-CD1 4.41Å; I87-F89 HydrophobicContact CG2-CD2 3.8Å; I87-F89 HydrophobicContact CG2-CE1 4.25Å; I87-F89 HydrophobicContact CG2-CE2 3.63Å; I87-F89 HydrophobicContact CG2-CG 4.2Å; I87-F89 HydrophobicContact CG2-CZ 3.87Å; I87-F89 PolarHBondContact O-N 2.85Å | ||
| 88 | Y | 98 | Very high | 96.2 | Very high | 143 Ų | 143 | 50.6 Ų | 50.6 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 100.4 | 169.3 | -175.3 | -84.3 | 0 | 0 | 0 | 108.8 | C52 Q53 Q90 A138 | C52-Y88 CarbonylContact C-O 3.57Å; C52-Y88 VanDerWaalsContact CA-O 3.23Å; C52-Y88 WeakPolarHBondContact CA-O 3.47Å; C52-Y88 VanDerWaalsContact CB-O 3.29Å; C52-Y88 WeakPolarHBondContact CB-O 3.32Å; Q53-Y88 PolarHBondContact N-O 2.89Å; Q53-Y88 PolarHBondContact O-N 2.95Å; Y88-Q90 HydrophobicContact CD1-CG 4.18Å; Y88-Q90 HydrophobicContact CE1-CG 4.18Å; Y88-Q90 PolarHBondContact O-N 2.87Å; Y88-A138 HydrophobicContact CD1-CB 3.94Å; Y88-A138 HydrophobicContact CD2-CB 3.42Å; Y88-A138 VanDerWaalsContact CD2-CB 3.42Å; Y88-A138 HydrophobicContact CE1-CB 3.83Å; Y88-A138 HydrophobicContact CE2-CB 3.31Å; Y88-A138 HydrophobicContact CG-CB 3.74Å |
| 89 | F | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122.2 | 177.7 | -72.9 | -91.1 | 0 | 0 | 0 | 110.8 | V28 F48 Y50 C52 W60 I87 F136 A138 L140 | V28-F89 HydrophobicContact CG1-CE1 4.05Å; V28-F89 HydrophobicContact CG1-CZ 3.94Å; F48-F89 HydrophobicContact CZ-CE1 4.31Å; Y50-F89 HydrophobicContact CD2-CE1 4.34Å; Y50-F89 HydrophobicContact CG-CE1 4.41Å; C52-F89 HydrophobicContact CB-CD1 3.99Å; C52-F89 HydrophobicContact CB-CE1 4.4Å; C52-F89 HydrophobicContact CB-CG 4.31Å; W60-F89 HydrophobicContact CH2-CE2 4.13Å; W60-F89 AromaticContact CH2-CZ 3.81Å; W60-F89 HydrophobicContact CH2-CZ 3.81Å; W60-F89 AromaticContact CZ2-CE2 3.8Å; W60-F89 HydrophobicContact CZ2-CE2 3.8Å; W60-F89 AromaticContact CZ2-CZ 3.49Å; W60-F89 HydrophobicContact CZ2-CZ 3.49Å; W60-F89 VanDerWaalsContact CZ2-CZ 3.49Å; I87-F89 HydrophobicContact CB-CD2 4.16Å; I87-F89 HydrophobicContact CB-CE2 3.73Å; I87-F89 HydrophobicContact CB-CZ 4.23Å; I87-F89 HydrophobicContact CG2-CD1 4.41Å; I87-F89 HydrophobicContact CG2-CD2 3.8Å; I87-F89 HydrophobicContact CG2-CE1 4.25Å; I87-F89 HydrophobicContact CG2-CE2 3.63Å; I87-F89 HydrophobicContact CG2-CG 4.2Å; I87-F89 HydrophobicContact CG2-CZ 3.87Å; I87-F89 PolarHBondContact O-N 2.85Å; F89-F136 HydrophobicContact CB-CE1 3.61Å; F89-F136 HydrophobicContact CB-CZ 3.98Å; F89-F136 WeakPolarHBondContact O-CE1 3.37Å; F89-A138 PolarHBondContact N-O 3.26Å; F89-A138 VanDerWaalsContact O-CA 3.23Å; F89-A138 WeakPolarHBondContact O-CA 3.41Å; F89-A138 WeakPolarHBondContact O-CB 3.4Å; F89-L140 HydrophobicContact CD2-CB 3.78Å; F89-L140 HydrophobicContact CE1-CD2 4.47Å; F89-L140 HydrophobicContact CE2-CB 3.97Å; F89-L140 HydrophobicContact CG-CB 4.21Å |
| 90 | Q | 98.2 | Very high | 95.6 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -39.7 | 172.8 | -62.6 | -178 | 83.1 | 0 | 0 | 110.7 | E51 Q53 Y88 | E51-Q90 PolarHBondContact O-N 2.85Å; E51-Q90 PolarHBondContact OE1-NE2 3.14Å; Q53-Q90 HydrophobicContact CG-CG 4.42Å; Q53-Q90 VanDerWaalsContact NE2-NE2 3.16Å; Y88-Q90 HydrophobicContact CD1-CG 4.18Å; Y88-Q90 HydrophobicContact CE1-CG 4.18Å; Y88-Q90 PolarHBondContact O-N 2.87Å |
| 91 | S | 98.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.6 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | Y50 E51 H131 | Y50-S91 WeakPolarHBondContact CA-O 3.41Å; E51-S91 VanDerWaalsContact CB-OG 3.31Å; E51-S91 WeakPolarHBondContact CB-OG 3.36Å; E51-S91 PolarHBondContact N-O 2.88Å; E51-S91 PolarHBondContact O-N 2.92Å; E51-S91 VanDerWaalsContact O-N 3.16Å; S91-H131 WeakPolarHBondContact CB-CE1 2.76Å; S91-H131 WeakPolarHBondContact CB-NE2 3.31Å |
| 92 | F | 98.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 152 | 167.4 | 69.9 | -103.1 | 0 | 0 | 0 | 111.3 | F48 T49 A107 L115 S130 H131 F136 L140 L143 | F48-F92 HydrophobicContact CE2-CB 4.03Å; T49-F92 CarbonylContact O-C 3.58Å; T49-F92 WeakPolarHBondContact O-CA 3.32Å; F92-A107 HydrophobicContact CZ-CB 4.41Å; F92-L115 HydrophobicContact CE1-CD1 4.25Å; F92-L115 HydrophobicContact CZ-CD1 4.21Å; F92-S130 WeakPolarHBondContact O-CA 3.1Å; F92-S130 PolarHBondContact O-OG 3.21Å; F92-S130 VanDerWaalsContact O-OG 3.08Å; F92-H131 HydrophobicContact CD1-CB 3.66Å; F92-H131 HydrophobicContact CD2-CB 4.46Å; F92-H131 HydrophobicContact CE1-CB 3.44Å; F92-H131 VanDerWaalsContact CE1-CB 3.44Å; F92-H131 HydrophobicContact CE2-CB 4.27Å; F92-H131 VanDerWaalsContact CE2-N 3.25Å; F92-H131 HydrophobicContact CG-CB 4.17Å; F92-H131 HydrophobicContact CZ-CB 3.77Å; F92-H131 PolarHBondContact N-ND1 3.27Å; F92-H131 PolarHBondContact O-N 3.05Å; F92-H131 PolarHBondContact O-ND1 2.78Å; F92-F136 HydrophobicContact CD1-CD1 4.14Å; F92-F136 AromaticContact CD1-CE1 3.65Å; F92-F136 HydrophobicContact CD1-CE1 3.65Å; F92-F136 HydrophobicContact CD1-CE2 4.29Å; F92-F136 AromaticContact CD1-CZ 3.76Å; F92-F136 HydrophobicContact CD1-CZ 3.76Å; F92-F136 HydrophobicContact CE1-CD1 4.02Å; F92-F136 AromaticContact CE1-CD2 3.88Å; F92-F136 HydrophobicContact CE1-CD2 3.88Å; F92-F136 AromaticContact CE1-CE1 3.78Å; F92-F136 HydrophobicContact CE1-CE1 3.78Å; F92-F136 AromaticContact CE1-CE2 3.67Å; F92-F136 HydrophobicContact CE1-CE2 3.67Å; F92-F136 HydrophobicContact CE1-CG 4.06Å; F92-F136 AromaticContact CE1-CZ 3.62Å; F92-F136 HydrophobicContact CE1-CZ 3.62Å; F92-L140 HydrophobicContact CB-CD2 3.96Å; F92-L140 HydrophobicContact CD1-CD1 4.3Å; F92-L140 HydrophobicContact CD1-CD2 3.93Å; F92-L140 HydrophobicContact CE1-CD1 4.14Å; F92-L140 HydrophobicContact CG-CD2 3.9Å; F92-L140 HydrophobicContact CZ-CD1 4.38Å; F92-L143 HydrophobicContact CD2-CD1 3.72Å; F92-L143 HydrophobicContact CD2-CD2 3.93Å; F92-L143 HydrophobicContact CD2-CG 4.45Å; F92-L143 HydrophobicContact CE2-CD1 4.26Å; F92-L143 HydrophobicContact CE2-CD2 3.6Å; F92-L143 HydrophobicContact CG-CD1 4.35Å; F92-L143 HydrophobicContact CZ-CD2 4.23Å |
| 93 | K | 98.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 49 Ų | 49 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 135.7 | 169.4 | -176.5 | 178.6 | -176.7 | -178 | 0 | 109.7 | F48 T49 Y128 V129 | F48-K93 CarbonylContact C-O 3.54Å; F48-K93 WeakPolarHBondContact CA-O 3.24Å; F48-K93 WeakPolarHBondContact CD2-O 3.16Å; T49-K93 PolarHBondContact N-O 3.28Å; T49-K93 PolarHBondContact O-N 2.84Å; K93-Y128 HydrophobicContact CD-CD2 4.4Å; K93-Y128 HydrophobicContact CD-CG 4.4Å; K93-Y128 VanDerWaalsContact CE-CD1 3.44Å; K93-Y128 HydrophobicContact CG-CD2 4.23Å; K93-Y128 HydrophobicContact CG-CG 4.38Å; K93-V129 CarbonylContact C-O 3.46Å; K93-V129 WeakPolarHBondContact CA-O 3.44Å |
| 94 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.3 | 167.8 | 179.8 | 64.4 | 0 | 0 | 0 | 108.5 | C46 T47 F48 M62 V77 Y128 V129 L143 L145 | C46-L94 WeakPolarHBondContact SG-CD1 3.49Å; T47-L94 WeakPolarHBondContact O-CA 3.35Å; F48-L94 HydrophobicContact CB-CD1 4.14Å; M62-L94 HydrophobicContact CE-CD1 4.17Å; V77-L94 HydrophobicContact CG2-CD1 3.53Å; V77-L94 HydrophobicContact CG2-CD2 3.94Å; V77-L94 HydrophobicContact CG2-CG 4.32Å; L94-Y128 CarbonylContact O-C 3.55Å; L94-Y128 WeakPolarHBondContact O-CA 3.3Å; L94-Y128 VanDerWaalsContact O-CB 3.24Å; L94-Y128 WeakPolarHBondContact O-CB 3.41Å; L94-V129 HydrophobicContact CB-CG1 3.77Å; L94-V129 HydrophobicContact CD2-CG1 4.45Å; L94-V129 PolarHBondContact N-O 3.11Å; L94-V129 PolarHBondContact O-N 2.86Å; L94-L143 HydrophobicContact CB-CD1 3.99Å; L94-L143 HydrophobicContact CD2-CB 3.85Å; L94-L145 HydrophobicContact CD2-CB 4.11Å |
| 95 | D | 98.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.3 | -178.2 | 64.4 | -92.5 | 0 | 0 | 0 | 112.6 | C46 T47 R127 | C46-D95 CarbonylContact C-O 3.56Å; C46-D95 WeakPolarHBondContact CA-O 3.46Å; T47-D95 PolarHBondContact N-O 3.24Å; T47-D95 PolarHBondContact O-N 3.12Å; D95-R127 WeakPolarHBondContact CA-O 3.29Å |
| 96 | V | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.4 | 175.9 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | K45 C46 V100 R127 L145 F147 | K45-V96 VanDerWaalsContact O-CA 3.3Å; K45-V96 WeakPolarHBondContact O-CA 3.29Å; C46-V96 HydrophobicContact CB-CG1 4.05Å; V96-V100 HydrophobicContact CB-CG2 4.34Å; V96-V100 HydrophobicContact CG2-CG2 3.6Å; V96-R127 HydrophobicContact CG2-CB 3.69Å; V96-R127 PolarHBondContact N-O 2.88Å; V96-R127 VanDerWaalsContact N-O 3.08Å; V96-L145 HydrophobicContact CG1-CD2 4.01Å; V96-L145 HydrophobicContact CG2-CD2 3.72Å; V96-F147 HydrophobicContact CB-CE1 4.4Å; V96-F147 HydrophobicContact CG1-CD1 3.99Å; V96-F147 HydrophobicContact CG1-CE1 3.62Å; V96-F147 HydrophobicContact CG1-CZ 4.06Å; V96-F147 HydrophobicContact CG2-CD1 4.23Å; V96-F147 HydrophobicContact CG2-CG 4.31Å |
| 97 | T | 94.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | trans | -75.4 | 147.5 | -178.3 | 56.9 | 0 | 0 | 0 | 0 | 112 | K45 V100 | K45-T97 HydrophobicContact CB-CG2 3.77Å; K45-T97 HydrophobicContact CD-CG2 4.48Å; K45-T97 PolarHBondContact N-OG1 3.3Å; K45-T97 PolarHBondContact O-N 2.67Å; T97-V100 WeakPolarHBondContact O-CG2 3.27Å | ||
| 98 | P | 89.5 | Confident | 96.6 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -61.7 | 160.1 | 169.3 | 28.2 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 99 | P | 89.4 | Confident | 96.7 | Very high | 42 Ų | 42 | 33 Ų | 33 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | S | Bend | cis | -95.1 | 89.9 | 8.8 | 38.5 | -36.5 | 0 | 0 | 0 | 111.9 | T150 M152 | P99-T150 WeakPolarHBondContact CB-OG1 3.48Å; P99-T150 WeakPolarHBondContact CG-O 3.28Å; P99-T150 PolarHBondContact O-N 3.32Å; P99-T150 PolarHBondContact O-OG1 3.29Å; P99-M152 HydrophobicContact CB-CG 4.19Å; P99-M152 HydrophobicContact CG-CG 3.61Å |
| 100 | V | 93.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | 178.2 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | I44 V96 T97 R127 F147 V148 | I44-V100 HydrophobicContact CD1-CG1 3.9Å; I44-V100 HydrophobicContact CG1-CG1 4.09Å; I44-V100 HydrophobicContact CG2-CG1 4.08Å; V96-V100 HydrophobicContact CB-CG2 4.34Å; V96-V100 HydrophobicContact CG2-CG2 3.6Å; T97-V100 WeakPolarHBondContact O-CG2 3.27Å; V100-R127 HydrophobicContact CG2-CG 4.19Å; V100-R127 WeakPolarHBondContact O-CD 3.39Å; V100-F147 HydrophobicContact CB-CB 4.35Å; V100-F147 HydrophobicContact CB-CD2 3.93Å; V100-F147 HydrophobicContact CB-CG 4.48Å; V100-F147 HydrophobicContact CG1-CD2 3.77Å; V100-F147 HydrophobicContact CG1-CE2 4.18Å; V100-F147 HydrophobicContact CG2-CB 4.42Å; V100-F147 HydrophobicContact CG2-CD2 4.29Å; V100-V148 CarbonylContact C-O 3.48Å; V100-V148 WeakPolarHBondContact CA-O 3.21Å; V100-V148 WeakPolarHBondContact CB-O 3.45Å |
| 101 | E | 94.5 | Very high | 96.5 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.8 | 163.9 | -174.7 | -171.9 | 162.1 | 0 | 0 | 108.4 | K124 F147 V148 T150 | E101-K124 WeakPolarHBondContact OE1-CE 3.32Å; E101-K124 IonicContact OE1-NZ 3.26Å; E101-K124 PolarHBondContact OE1-NZ 2.8Å; E101-F147 CarbonylContact O-C 3.55Å; E101-F147 WeakPolarHBondContact O-CA 3.3Å; E101-F147 VanDerWaalsContact O-CB 3.31Å; E101-F147 WeakPolarHBondContact O-CB 3.37Å; E101-V148 HydrophobicContact CB-CG2 3.78Å; E101-V148 PolarHBondContact N-O 3.07Å; E101-V148 PolarHBondContact O-N 3.4Å; E101-T150 HydrophobicContact CB-CG2 4.19Å |
| 102 | A | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F122 K124 R127 L145 | A102-F122 HydrophobicContact CB-CE2 3.83Å; A102-F122 HydrophobicContact CB-CZ 3.6Å; A102-K124 HydrophobicContact CB-CG 4.47Å; A102-K124 WeakPolarHBondContact O-CE 3.39Å; A102-K124 WeakPolarHBondContact O-CG 3.45Å; A102-R127 HydrophobicContact CB-CB 4.11Å; A102-R127 HydrophobicContact CB-CG 4.06Å; A102-L145 HydrophobicContact CB-CD2 4.2Å |
| 103 | L | 96.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -50 | -176.7 | -63.8 | -176.9 | 0 | 0 | 0 | 111.7 | E146 V148 | L103-E146 HydrophobicContact CB-CB 4.45Å; L103-E146 PolarHBondContact N-O 2.98Å; L103-V148 HydrophobicContact CD1-CG1 3.84Å; L103-V148 HydrophobicContact CD2-CG2 4.37Å; L103-V148 HydrophobicContact CG-CG1 4.41Å |
| 104 | S | 97 | Very high | 96.2 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.5 | -174.7 | 73.3 | 0 | 0 | 0 | 0 | 110.3 | L145 E146 | S104-L145 WeakPolarHBondContact O-CA 3.37Å; S104-E146 PolarHBondContact N-O 2.01Å; S104-E146 PolarHBondContact O-N 2.94Å; S104-E146 WeakPolarHBondContact OG-CB 3.5Å; S104-E146 PolarHBondContact OG-OE2 2.86Å; S104-E146 VanDerWaalsContact OG-OE2 3.11Å |
| 105 | A | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 46 Ų | 46 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F122 V129 S144 L145 | A105-F122 HydrophobicContact CB-CB 4.09Å; A105-F122 HydrophobicContact CB-CD1 4.36Å; A105-F122 HydrophobicContact CB-CD2 3.48Å; A105-F122 VanDerWaalsContact CB-CD2 3.48Å; A105-F122 HydrophobicContact CB-CE2 3.96Å; A105-F122 HydrophobicContact CB-CG 3.72Å; A105-V129 HydrophobicContact CB-CB 3.64Å; A105-V129 HydrophobicContact CB-CG1 4.06Å; A105-V129 HydrophobicContact CB-CG2 3.95Å; A105-S144 CarbonylContact C-O 3.54Å; A105-S144 WeakPolarHBondContact CA-O 2.97Å; A105-S144 VanDerWaalsContact CB-O 3.31Å; A105-S144 WeakPolarHBondContact CB-O 3.27Å; A105-L145 HydrophobicContact CB-CG 4.37Å |
| 106 | S | 98.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.2 | 175.9 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | F108 L143 S144 | S106-F108 VanDerWaalsContact OG-CE2 3.29Å; S106-F108 WeakPolarHBondContact OG-CE2 3.37Å; S106-L143 CarbonylContact O-C 3.48Å; S106-L143 WeakPolarHBondContact O-CA 3.3Å; S106-S144 PolarHBondContact N-O 2.86Å; S106-S144 PolarHBondContact O-N 2.92Å; S106-S144 PolarHBondContact OG-OG 3Å |
| 107 | A | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F92 L115 Y120 R142 L143 | F92-A107 HydrophobicContact CZ-CB 4.41Å; A107-L115 HydrophobicContact CB-CB 4.29Å; A107-L115 HydrophobicContact CB-CD1 3.77Å; A107-L115 HydrophobicContact CB-CG 4.11Å; A107-L115 PolarHBondContact O-N 3.49Å; A107-Y120 HydrophobicContact CB-CD1 4.07Å; A107-Y120 HydrophobicContact CB-CD2 4.02Å; A107-Y120 HydrophobicContact CB-CE1 4.32Å; A107-Y120 HydrophobicContact CB-CE2 4.24Å; A107-Y120 HydrophobicContact CB-CG 3.91Å; A107-R142 WeakPolarHBondContact CA-O 2.99Å; A107-L143 HydrophobicContact CB-CD2 3.48Å; A107-L143 VanDerWaalsContact CB-CD2 3.48Å |
| 108 | F | 98.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 23% | 0.232 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.5 | -179.9 | -59.5 | -99.2 | 0 | 0 | 0 | 111.1 | S106 N112 Q113 P114 T141 R142 | S106-F108 VanDerWaalsContact OG-CE2 3.29Å; S106-F108 WeakPolarHBondContact OG-CE2 3.37Å; F108-N112 WeakPolarHBondContact CD1-O 3.16Å; F108-Q113 CarbonylContact C-O 3.54Å; F108-Q113 VanDerWaalsContact CA-O 3.29Å; F108-Q113 WeakPolarHBondContact CA-O 3.28Å; F108-P114 HydrophobicContact CD1-CB 4.29Å; F108-P114 HydrophobicContact CD1-CG 4.14Å; F108-P114 HydrophobicContact CE1-CB 4.24Å; F108-P114 HydrophobicContact CE1-CG 3.88Å; F108-T141 PolarHBondContact O-N 3.17Å; F108-T141 PolarHBondContact O-OG1 2.9Å; F108-R142 HydrophobicContact CB-CB 4.17Å; F108-R142 HydrophobicContact CD2-CB 4.19Å; F108-R142 HydrophobicContact CD2-CG 4.32Å; F108-R142 PolarHBondContact N-O 2.8Å; F108-R142 PolarHBondContact O-N 2.96Å |
| 109 | G | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -94 | -159.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q113 T141 | G109-Q113 PolarHBondContact N-O 3.34Å; G109-T141 WeakPolarHBondContact O-CG2 3.34Å; G109-T141 PolarHBondContact O-OG1 2.76Å | ||
| 110 | N | 97.2 | Very high | 97 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -60.6 | 147 | -178.2 | -68 | -23.4 | 0 | 0 | 0 | 112.1 | Q83 T84 S85 N112 Q113 T141 | Q83-N110 CarbonylContact O-C 3.48Å; Q83-N110 WeakPolarHBondContact O-CA 3.31Å; T84-N110 WeakPolarHBondContact CA-OD1 3.25Å; S85-N110 PolarHBondContact N-OD1 2.71Å; S85-N110 PolarHBondContact O-ND2 2.95Å; S85-N110 PolarHBondContact O-OD1 2.93Å; N110-N112 VanDerWaalsContact C-N 3.29Å; N110-N112 PolarHBondContact O-N 2.8Å; N110-Q113 WeakPolarHBondContact O-CB 3.38Å; N110-Q113 VanDerWaalsContact O-CG 3.27Å; N110-Q113 WeakPolarHBondContact O-CG 2.91Å; N110-Q113 PolarHBondContact O-N 3.49Å; N110-T141 WeakPolarHBondContact OD1-CG2 3.41Å |
| 111 | N | 96.1 | Very high | 97.3 | Very high | 102 Ų | 102 | 58.2 Ų | 58.2 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | 57.6 | 37.9 | -178.9 | -52.3 | -48.9 | 0 | 0 | 0 | 113.6 | Q83 Q113 | Q83-N111 PolarHBondContact O-N 2.86Å; N111-Q113 PolarHBondContact O-N 2.96Å; N111-Q113 VanDerWaalsContact O-N 3.07Å; N111-Q113 PolarHBondContact O-NE2 2.8Å |
| 112 | N | 93.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | 52.3 | 30 | -178.4 | -66.3 | -23 | 0 | 0 | 0 | 113.6 | Q83 F108 N110 P114 | Q83-N112 PolarHBondContact OE1-ND2 2.96Å; F108-N112 WeakPolarHBondContact CD1-O 3.16Å; N110-N112 VanDerWaalsContact C-N 3.29Å; N110-N112 PolarHBondContact O-N 2.8Å; N112-P114 WeakPolarHBondContact O-CD 3.3Å |
| 113 | Q | 97.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 120.1 | 175.1 | -67.6 | -57.9 | -48.7 | 0 | 0 | 109.1 | F108 G109 N110 N111 L115 | F108-Q113 CarbonylContact C-O 3.54Å; F108-Q113 VanDerWaalsContact CA-O 3.29Å; F108-Q113 WeakPolarHBondContact CA-O 3.28Å; G109-Q113 PolarHBondContact N-O 3.34Å; N110-Q113 WeakPolarHBondContact O-CB 3.38Å; N110-Q113 VanDerWaalsContact O-CG 3.27Å; N110-Q113 WeakPolarHBondContact O-CG 2.91Å; N110-Q113 PolarHBondContact O-N 3.49Å; N111-Q113 PolarHBondContact O-N 2.96Å; N111-Q113 VanDerWaalsContact O-N 3.07Å; N111-Q113 PolarHBondContact O-NE2 2.8Å; Q113-L115 PolarHBondContact O-N 2.88Å |
| 114 | P | 98 | Very high | 97.5 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | B | Isolated β-bridge | trans | -57.3 | 134.8 | 172.7 | -19.8 | 30.9 | 0 | 0 | 0 | 109.6 | F108 N112 | F108-P114 HydrophobicContact CD1-CB 4.29Å; F108-P114 HydrophobicContact CD1-CG 4.14Å; F108-P114 HydrophobicContact CE1-CB 4.24Å; F108-P114 HydrophobicContact CE1-CG 3.88Å; N112-P114 WeakPolarHBondContact O-CD 3.3Å |
| 115 | L | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.9 | 167.3 | -62.6 | -169.7 | 0 | 0 | 0 | 108.9 | F92 A107 Q113 E119 Y120 F136 L140 | F92-L115 HydrophobicContact CE1-CD1 4.25Å; F92-L115 HydrophobicContact CZ-CD1 4.21Å; A107-L115 HydrophobicContact CB-CB 4.29Å; A107-L115 HydrophobicContact CB-CD1 3.77Å; A107-L115 HydrophobicContact CB-CG 4.11Å; A107-L115 PolarHBondContact O-N 3.49Å; Q113-L115 PolarHBondContact O-N 2.88Å; L115-E119 HydrophobicContact CB-CB 4.21Å; L115-Y120 HydrophobicContact CB-CD1 3.65Å; L115-Y120 HydrophobicContact CB-CE1 4.01Å; L115-Y120 WeakPolarHBondContact O-CE1 3.14Å; L115-F136 HydrophobicContact CD1-CD2 3.94Å; L115-F136 HydrophobicContact CD1-CE2 3.67Å; L115-L140 HydrophobicContact CD1-CD1 4.4Å |
| 116 | S | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 158.7 | 174.8 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | E118 E119 Y120 | S116-E118 PolarHBondContact O-N 2.98Å; S116-E119 WeakPolarHBondContact O-CB 3.45Å; S116-E119 PolarHBondContact O-N 2.85Å; S116-E119 WeakPolarHBondContact OG-CG 3.12Å; S116-E119 PolarHBondContact OG-OE1 2.88Å; S116-E119 VanDerWaalsContact OG-OE1 3.14Å; S116-Y120 WeakPolarHBondContact O-CD1 3.31Å |
| 117 | D | 95.4 | Very high | 97.3 | Very high | 142 Ų | 142 | 70.2 Ų | 70.2 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.1 | 177.8 | -61.6 | -18.1 | 0 | 0 | 0 | 113.3 | ||
| 118 | E | 97.7 | Very high | 97.3 | Very high | 127 Ų | 127 | 71.2 Ų | 71.2 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -25.1 | 171 | -65.3 | -169.8 | -159.6 | 0 | 0 | 112.8 | S116 V132 K135 | S116-E118 PolarHBondContact O-N 2.98Å; E118-V132 VanDerWaalsContact O-CB 3.31Å; E118-V132 WeakPolarHBondContact O-CB 3.49Å; E118-V132 WeakPolarHBondContact O-CG2 3.19Å; E118-K135 WeakPolarHBondContact O-CB 3.19Å; E118-K135 IonicContact OE2-NZ 3.74Å |
| 119 | E | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -23.8 | -171.5 | -70.3 | -175.5 | -113.7 | 0 | 0 | 113.1 | L115 S116 V132 F136 K137 | L115-E119 HydrophobicContact CB-CB 4.21Å; S116-E119 WeakPolarHBondContact O-CB 3.45Å; S116-E119 PolarHBondContact O-N 2.85Å; S116-E119 WeakPolarHBondContact OG-CG 3.12Å; S116-E119 PolarHBondContact OG-OE1 2.88Å; S116-E119 VanDerWaalsContact OG-OE1 3.14Å; E119-V132 PolarHBondContact O-N 2.8Å; E119-F136 HydrophobicContact CB-CD2 4.39Å; E119-F136 WeakPolarHBondContact O-CB 3.44Å; E119-K137 IonicContact OE1-NZ 3.72Å; E119-K137 PolarHBondContact OE1-NZ 2.69Å; E119-K137 WeakPolarHBondContact OE2-CB 3.35Å; E119-K137 WeakPolarHBondContact OE2-CG 3.18Å; E119-K137 PolarHBondContact OE2-N 3.19Å; E119-K137 VanDerWaalsContact OE2-N 3.08Å |
| 120 | Y | 98.7 | Very high | 97.3 | Very high | 35 Ų | 35 | 69 Ų | 69 | 14% | 0.137 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 161.6 | 179.9 | 80.9 | -77.4 | 0 | 0 | 0 | 111 | A107 L115 S116 V129 S130 | A107-Y120 HydrophobicContact CB-CD1 4.07Å; A107-Y120 HydrophobicContact CB-CD2 4.02Å; A107-Y120 HydrophobicContact CB-CE1 4.32Å; A107-Y120 HydrophobicContact CB-CE2 4.24Å; A107-Y120 HydrophobicContact CB-CG 3.91Å; L115-Y120 HydrophobicContact CB-CD1 3.65Å; L115-Y120 HydrophobicContact CB-CE1 4.01Å; L115-Y120 WeakPolarHBondContact O-CE1 3.14Å; S116-Y120 WeakPolarHBondContact O-CD1 3.31Å; Y120-V129 HydrophobicContact CD2-CG2 3.48Å; Y120-V129 VanDerWaalsContact CD2-CG2 3.48Å; Y120-V129 HydrophobicContact CE2-CG2 3.93Å; Y120-S130 CarbonylContact C-O 3.57Å; Y120-S130 VanDerWaalsContact CA-O 3.27Å; Y120-S130 WeakPolarHBondContact CA-O 3.37Å; Y120-S130 WeakPolarHBondContact CB-O 3.31Å |
| 121 | Y | 98.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 68.3 Ų | 68.3 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.2 | 173.5 | 70.5 | -81.2 | 0 | 0 | 0 | 110.8 | N123 Y128 V129 S130 H131 V132 | Y121-N123 HydrophobicContact CD2-CB 4.48Å; Y121-N123 HydrophobicContact CE2-CB 4.32Å; Y121-Y128 HydrophobicContact CD2-CE2 4.4Å; Y121-Y128 AromaticContact CE2-CE2 3.42Å; Y121-Y128 HydrophobicContact CE2-CE2 3.42Å; Y121-Y128 VanDerWaalsContact CE2-CE2 3.42Å; Y121-Y128 AromaticContact CE2-CZ 3.91Å; Y121-Y128 AromaticContact CZ-CE2 3.65Å; Y121-Y128 WeakPolarHBondContact OH-CE2 3.3Å; Y121-Y128 PolarHBondContact OH-OH 2.77Å; Y121-V129 WeakPolarHBondContact O-CA 3.46Å; Y121-S130 WeakPolarHBondContact CD1-O 3.29Å; Y121-S130 PolarHBondContact N-O 3.38Å; Y121-S130 PolarHBondContact O-N 3.07Å; Y121-H131 WeakPolarHBondContact CE1-O 3.48Å; Y121-V132 HydrophobicContact CD1-CG2 3.81Å |
| 122 | F | 98.5 | Very high | 97.5 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 27% | 0.268 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.8 | 174.4 | 171 | -130.5 | 0 | 0 | 0 | 109.5 | A102 A105 K124 Y128 V129 L145 | A102-F122 HydrophobicContact CB-CE2 3.83Å; A102-F122 HydrophobicContact CB-CZ 3.6Å; A105-F122 HydrophobicContact CB-CB 4.09Å; A105-F122 HydrophobicContact CB-CD1 4.36Å; A105-F122 HydrophobicContact CB-CD2 3.48Å; A105-F122 VanDerWaalsContact CB-CD2 3.48Å; A105-F122 HydrophobicContact CB-CE2 3.96Å; A105-F122 HydrophobicContact CB-CG 3.72Å; F122-K124 HydrophobicContact CE1-CB 4.07Å; F122-K124 HydrophobicContact CE1-CG 4.18Å; F122-K124 HydrophobicContact CZ-CB 4.15Å; F122-K124 HydrophobicContact CZ-CG 4.13Å; F122-Y128 VanDerWaalsContact CD2-O 3.32Å; F122-Y128 WeakPolarHBondContact CD2-O 3.5Å; F122-V129 HydrophobicContact CD2-CB 4.48Å; F122-L145 HydrophobicContact CE2-CD1 4.46Å; F122-L145 HydrophobicContact CE2-CG 4.43Å |
| 123 | N | 97.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 67 Ų | 67 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 98.9 | 173.6 | -169.8 | -30.8 | 0 | 0 | 0 | 109.5 | Y121 N125 E126 R127 Y128 | Y121-N123 HydrophobicContact CD2-CB 4.48Å; Y121-N123 HydrophobicContact CE2-CB 4.32Å; N123-N125 VanDerWaalsContact C-N 3.32Å; N123-N125 PolarHBondContact O-N 3.25Å; N123-N125 PolarHBondContact OD1-N 3.44Å; N123-N125 VanDerWaalsContact OD1-N 3.17Å; N123-E126 HydrophobicContact CB-CB 4.21Å; N123-E126 VanDerWaalsContact ND2-CD 3.26Å; N123-E126 WeakPolarHBondContact ND2-CG 3.44Å; N123-E126 PolarHBondContact ND2-OE2 2.83Å; N123-E126 PolarHBondContact O-N 2.95Å; N123-E126 PolarHBondContact OD1-N 2.97Å; N123-R127 WeakPolarHBondContact O-CA 3.33Å; N123-R127 PolarHBondContact O-N 2.85Å; N123-Y128 HydrophobicContact CB-CD1 4.47Å; N123-Y128 HydrophobicContact CB-CD2 4.46Å; N123-Y128 HydrophobicContact CB-CE1 4.09Å; N123-Y128 HydrophobicContact CB-CE2 4.01Å; N123-Y128 PolarHBondContact N-O 2.87Å; N123-Y128 PolarHBondContact O-N 2.88Å |
| 124 | K | 96.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -40 | -179.3 | -162.5 | -172.2 | 178.5 | -162.2 | 0 | 112.5 | E101 A102 F122 R127 | E101-K124 WeakPolarHBondContact OE1-CE 3.32Å; E101-K124 IonicContact OE1-NZ 3.26Å; E101-K124 PolarHBondContact OE1-NZ 2.8Å; A102-K124 HydrophobicContact CB-CG 4.47Å; A102-K124 WeakPolarHBondContact O-CE 3.39Å; A102-K124 WeakPolarHBondContact O-CG 3.45Å; F122-K124 HydrophobicContact CE1-CB 4.07Å; F122-K124 HydrophobicContact CE1-CG 4.18Å; F122-K124 HydrophobicContact CZ-CB 4.15Å; F122-K124 HydrophobicContact CZ-CG 4.13Å; K124-R127 PolarHBondContact O-N 3.15Å |
| 125 | N | 95.1 | Very high | 97.6 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -40.7 | -176.1 | -65 | -25.3 | 0 | 0 | 0 | 112.1 | N123 R127 | N123-N125 VanDerWaalsContact C-N 3.32Å; N123-N125 PolarHBondContact O-N 3.25Å; N123-N125 PolarHBondContact OD1-N 3.44Å; N123-N125 VanDerWaalsContact OD1-N 3.17Å; N125-R127 VanDerWaalsContact C-N 3.33Å |
| 126 | E | 96.4 | Very high | 97.6 | Very high | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.1 | 178.3 | -60.4 | -176.4 | 158.8 | 0 | 0 | 112.9 | N123 Y128 | N123-E126 HydrophobicContact CB-CB 4.21Å; N123-E126 VanDerWaalsContact ND2-CD 3.26Å; N123-E126 WeakPolarHBondContact ND2-CG 3.44Å; N123-E126 PolarHBondContact ND2-OE2 2.83Å; N123-E126 PolarHBondContact O-N 2.95Å; N123-E126 PolarHBondContact OD1-N 2.97Å; E126-Y128 HydrophobicContact CB-CD1 3.64Å; E126-Y128 HydrophobicContact CB-CE1 3.33Å; E126-Y128 HydrophobicContact CG-CE1 4.22Å; E126-Y128 WeakPolarHBondContact OE2-CE1 3.3Å; E126-Y128 VanDerWaalsContact OE2-CZ 3.27Å; E126-Y128 PolarHBondContact OE2-OH 3.11Å |
| 127 | R | 97.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 71.6 Ų | 71.6 | 28% | 0.275 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 48 | 173.9 | -54.2 | 155.4 | -77.3 | -111.7 | -5.3 | 114.2 | D95 V96 V100 A102 N123 K124 N125 | D95-R127 WeakPolarHBondContact CA-O 3.29Å; V96-R127 HydrophobicContact CG2-CB 3.69Å; V96-R127 PolarHBondContact N-O 2.88Å; V96-R127 VanDerWaalsContact N-O 3.08Å; V100-R127 HydrophobicContact CG2-CG 4.19Å; V100-R127 WeakPolarHBondContact O-CD 3.39Å; A102-R127 HydrophobicContact CB-CB 4.11Å; A102-R127 HydrophobicContact CB-CG 4.06Å; N123-R127 WeakPolarHBondContact O-CA 3.33Å; N123-R127 PolarHBondContact O-N 2.85Å; K124-R127 PolarHBondContact O-N 3.15Å; N125-R127 VanDerWaalsContact C-N 3.33Å |
| 128 | Y | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 65 Ų | 65 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 159.2 | 174 | 68.4 | -102.8 | 0 | 0 | 0 | 113.5 | K93 L94 Y121 F122 N123 E126 | K93-Y128 HydrophobicContact CD-CD2 4.4Å; K93-Y128 HydrophobicContact CD-CG 4.4Å; K93-Y128 VanDerWaalsContact CE-CD1 3.44Å; K93-Y128 HydrophobicContact CG-CD2 4.23Å; K93-Y128 HydrophobicContact CG-CG 4.38Å; L94-Y128 CarbonylContact O-C 3.55Å; L94-Y128 WeakPolarHBondContact O-CA 3.3Å; L94-Y128 VanDerWaalsContact O-CB 3.24Å; L94-Y128 WeakPolarHBondContact O-CB 3.41Å; Y121-Y128 HydrophobicContact CD2-CE2 4.4Å; Y121-Y128 AromaticContact CE2-CE2 3.42Å; Y121-Y128 HydrophobicContact CE2-CE2 3.42Å; Y121-Y128 VanDerWaalsContact CE2-CE2 3.42Å; Y121-Y128 AromaticContact CE2-CZ 3.91Å; Y121-Y128 AromaticContact CZ-CE2 3.65Å; Y121-Y128 WeakPolarHBondContact OH-CE2 3.3Å; Y121-Y128 PolarHBondContact OH-OH 2.77Å; F122-Y128 VanDerWaalsContact CD2-O 3.32Å; F122-Y128 WeakPolarHBondContact CD2-O 3.5Å; N123-Y128 HydrophobicContact CB-CD1 4.47Å; N123-Y128 HydrophobicContact CB-CD2 4.46Å; N123-Y128 HydrophobicContact CB-CE1 4.09Å; N123-Y128 HydrophobicContact CB-CE2 4.01Å; N123-Y128 PolarHBondContact N-O 2.87Å; N123-Y128 PolarHBondContact O-N 2.88Å; E126-Y128 HydrophobicContact CB-CD1 3.64Å; E126-Y128 HydrophobicContact CB-CE1 3.33Å; E126-Y128 HydrophobicContact CG-CE1 4.22Å; E126-Y128 WeakPolarHBondContact OE2-CE1 3.3Å; E126-Y128 VanDerWaalsContact OE2-CZ 3.27Å; E126-Y128 PolarHBondContact OE2-OH 3.11Å |
| 129 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.6 | 166.3 | 61.7 | 0 | 0 | 0 | 0 | 109.3 | K93 L94 A105 Y120 Y121 F122 L143 L145 | K93-V129 CarbonylContact C-O 3.46Å; K93-V129 WeakPolarHBondContact CA-O 3.44Å; L94-V129 HydrophobicContact CB-CG1 3.77Å; L94-V129 HydrophobicContact CD2-CG1 4.45Å; L94-V129 PolarHBondContact N-O 3.11Å; L94-V129 PolarHBondContact O-N 2.86Å; A105-V129 HydrophobicContact CB-CB 3.64Å; A105-V129 HydrophobicContact CB-CG1 4.06Å; A105-V129 HydrophobicContact CB-CG2 3.95Å; Y120-V129 HydrophobicContact CD2-CG2 3.48Å; Y120-V129 VanDerWaalsContact CD2-CG2 3.48Å; Y120-V129 HydrophobicContact CE2-CG2 3.93Å; Y121-V129 WeakPolarHBondContact O-CA 3.46Å; F122-V129 HydrophobicContact CD2-CB 4.48Å; V129-L143 HydrophobicContact CG1-CD2 4.4Å; V129-L145 HydrophobicContact CG1-CD1 4.45Å |
| 130 | S | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154 | -175.2 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | F92 Y120 Y121 | F92-S130 WeakPolarHBondContact O-CA 3.1Å; F92-S130 PolarHBondContact O-OG 3.21Å; F92-S130 VanDerWaalsContact O-OG 3.08Å; Y120-S130 CarbonylContact C-O 3.57Å; Y120-S130 VanDerWaalsContact CA-O 3.27Å; Y120-S130 WeakPolarHBondContact CA-O 3.37Å; Y120-S130 WeakPolarHBondContact CB-O 3.31Å; Y121-S130 WeakPolarHBondContact CD1-O 3.29Å; Y121-S130 PolarHBondContact N-O 3.38Å; Y121-S130 PolarHBondContact O-N 3.07Å |
| 131 | H | 98.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 154 | 169.3 | 75 | -59.8 | 0 | 0 | 0 | 112.1 | S91 F92 Y121 F136 | S91-H131 WeakPolarHBondContact CB-CE1 2.76Å; S91-H131 WeakPolarHBondContact CB-NE2 3.31Å; F92-H131 HydrophobicContact CD1-CB 3.66Å; F92-H131 HydrophobicContact CD2-CB 4.46Å; F92-H131 HydrophobicContact CE1-CB 3.44Å; F92-H131 VanDerWaalsContact CE1-CB 3.44Å; F92-H131 HydrophobicContact CE2-CB 4.27Å; F92-H131 VanDerWaalsContact CE2-N 3.25Å; F92-H131 HydrophobicContact CG-CB 4.17Å; F92-H131 HydrophobicContact CZ-CB 3.77Å; F92-H131 PolarHBondContact N-ND1 3.27Å; F92-H131 PolarHBondContact O-N 3.05Å; F92-H131 PolarHBondContact O-ND1 2.78Å; Y121-H131 WeakPolarHBondContact CE1-O 3.48Å; H131-F136 HydrophobicContact CB-CB 3.97Å; H131-F136 HydrophobicContact CB-CD1 3.89Å; H131-F136 HydrophobicContact CB-CG 3.98Å |
| 132 | V | 98.4 | Very high | 97.7 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 120.9 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | E118 E119 Y121 G134 K135 F136 | E118-V132 VanDerWaalsContact O-CB 3.31Å; E118-V132 WeakPolarHBondContact O-CB 3.49Å; E118-V132 WeakPolarHBondContact O-CG2 3.19Å; E119-V132 PolarHBondContact O-N 2.8Å; Y121-V132 HydrophobicContact CD1-CG2 3.81Å; V132-G134 PolarHBondContact O-N 2.8Å; V132-K135 HydrophobicContact CB-CB 4.05Å; V132-K135 HydrophobicContact CB-CG 4.45Å; V132-K135 HydrophobicContact CG1-CB 3.84Å; V132-K135 HydrophobicContact CG1-CG 3.7Å; V132-K135 PolarHBondContact O-N 2.98Å; V132-F136 PolarHBondContact O-N 3.47Å; V132-F136 VanDerWaalsContact O-N 3.12Å |
| 133 | S | 96.4 | Very high | 97.7 | Very high | 105 Ų | 105 | 54.4 Ų | 54.4 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 132.7 | -179.5 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | K135 | S133-K135 PolarHBondContact O-N 2.82Š|
| 134 | G | 96.2 | Very high | 97.7 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 86% | 0.856 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -3.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V132 | V132-G134 PolarHBondContact O-N 2.8Š|
| 135 | K | 97.8 | Very high | 97.8 | Very high | 111 Ų | 111 | 49 Ų | 49 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -38.6 | 178.2 | -64.5 | -65.6 | -169.8 | 162 | 0 | 113.2 | E118 V132 S133 K137 | E118-K135 WeakPolarHBondContact O-CB 3.19Å; E118-K135 IonicContact OE2-NZ 3.74Å; V132-K135 HydrophobicContact CB-CB 4.05Å; V132-K135 HydrophobicContact CB-CG 4.45Å; V132-K135 HydrophobicContact CG1-CB 3.84Å; V132-K135 HydrophobicContact CG1-CG 3.7Å; V132-K135 PolarHBondContact O-N 2.98Å; S133-K135 PolarHBondContact O-N 2.82Å; K135-K137 PolarHBondContact O-N 2.87Å |
| 136 | F | 98.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | trans | -59 | 126.8 | 177 | 175.4 | -131 | 0 | 0 | 0 | 112.3 | F89 F92 L115 E119 H131 V132 A138 A139 L140 | F89-F136 HydrophobicContact CB-CE1 3.61Å; F89-F136 HydrophobicContact CB-CZ 3.98Å; F89-F136 WeakPolarHBondContact O-CE1 3.37Å; F92-F136 HydrophobicContact CD1-CD1 4.14Å; F92-F136 AromaticContact CD1-CE1 3.65Å; F92-F136 HydrophobicContact CD1-CE1 3.65Å; F92-F136 HydrophobicContact CD1-CE2 4.29Å; F92-F136 AromaticContact CD1-CZ 3.76Å; F92-F136 HydrophobicContact CD1-CZ 3.76Å; F92-F136 HydrophobicContact CE1-CD1 4.02Å; F92-F136 AromaticContact CE1-CD2 3.88Å; F92-F136 HydrophobicContact CE1-CD2 3.88Å; F92-F136 AromaticContact CE1-CE1 3.78Å; F92-F136 HydrophobicContact CE1-CE1 3.78Å; F92-F136 AromaticContact CE1-CE2 3.67Å; F92-F136 HydrophobicContact CE1-CE2 3.67Å; F92-F136 HydrophobicContact CE1-CG 4.06Å; F92-F136 AromaticContact CE1-CZ 3.62Å; F92-F136 HydrophobicContact CE1-CZ 3.62Å; L115-F136 HydrophobicContact CD1-CD2 3.94Å; L115-F136 HydrophobicContact CD1-CE2 3.67Å; E119-F136 HydrophobicContact CB-CD2 4.39Å; E119-F136 WeakPolarHBondContact O-CB 3.44Å; H131-F136 HydrophobicContact CB-CB 3.97Å; H131-F136 HydrophobicContact CB-CD1 3.89Å; H131-F136 HydrophobicContact CB-CG 3.98Å; V132-F136 PolarHBondContact O-N 3.47Å; V132-F136 VanDerWaalsContact O-N 3.12Å; F136-A138 VanDerWaalsContact CE1-CA 3.43Å; F136-A138 VanDerWaalsContact CZ-CA 3.47Å; F136-A138 PolarHBondContact O-N 3.34Å; F136-A139 WeakPolarHBondContact CE2-O 3.46Å; F136-L140 HydrophobicContact CZ-CB 4.09Å | ||
| 137 | K | 97.7 | Very high | 97.9 | Very high | 151 Ų | 151 | 40.9 Ų | 40.9 | 66% | 0.657 | 23% | 0.225 | S | C | * | . | trans | -84.8 | 22.3 | -176.1 | -61.6 | 168.3 | -169.3 | 140.7 | 0 | 114.2 | E119 K135 A139 | E119-K137 IonicContact OE1-NZ 3.72Å; E119-K137 PolarHBondContact OE1-NZ 2.69Å; E119-K137 WeakPolarHBondContact OE2-CB 3.35Å; E119-K137 WeakPolarHBondContact OE2-CG 3.18Å; E119-K137 PolarHBondContact OE2-N 3.19Å; E119-K137 VanDerWaalsContact OE2-N 3.08Å; K135-K137 PolarHBondContact O-N 2.87Å; K137-A139 PolarHBondContact O-N 2.75Å | ||
| 138 | A | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 65.4 | -1.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y88 F89 F136 | Y88-A138 HydrophobicContact CD1-CB 3.94Å; Y88-A138 HydrophobicContact CD2-CB 3.42Å; Y88-A138 VanDerWaalsContact CD2-CB 3.42Å; Y88-A138 HydrophobicContact CE1-CB 3.83Å; Y88-A138 HydrophobicContact CE2-CB 3.31Å; Y88-A138 HydrophobicContact CG-CB 3.74Å; F89-A138 PolarHBondContact N-O 3.26Å; F89-A138 VanDerWaalsContact O-CA 3.23Å; F89-A138 WeakPolarHBondContact O-CA 3.41Å; F89-A138 WeakPolarHBondContact O-CB 3.4Å; F136-A138 VanDerWaalsContact CE1-CA 3.43Å; F136-A138 VanDerWaalsContact CZ-CA 3.47Å; F136-A138 PolarHBondContact O-N 3.34Å |
| 139 | A | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 40 Ų | 40 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | trans | -95.3 | 116.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F136 K137 | F136-A139 WeakPolarHBondContact CE2-O 3.46Å; K137-A139 PolarHBondContact O-N 2.75Å | ||
| 140 | L | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -136.5 | 136 | 176.6 | -173.8 | 73.2 | 0 | 0 | 0 | 110.2 | F48 W60 S85 F89 F92 L115 F136 L143 | F48-L140 HydrophobicContact CE2-CD2 4.29Å; F48-L140 HydrophobicContact CZ-CD2 4.21Å; W60-L140 HydrophobicContact CH2-CD2 4.41Å; W60-L140 HydrophobicContact CH2-CG 4.28Å; W60-L140 WeakPolarHBondContact CH2-O 3.22Å; S85-L140 VanDerWaalsContact CB-O 3.27Å; S85-L140 WeakPolarHBondContact CB-O 3.41Å; F89-L140 HydrophobicContact CD2-CB 3.78Å; F89-L140 HydrophobicContact CE1-CD2 4.47Å; F89-L140 HydrophobicContact CE2-CB 3.97Å; F89-L140 HydrophobicContact CG-CB 4.21Å; F92-L140 HydrophobicContact CB-CD2 3.96Å; F92-L140 HydrophobicContact CD1-CD1 4.3Å; F92-L140 HydrophobicContact CD1-CD2 3.93Å; F92-L140 HydrophobicContact CE1-CD1 4.14Å; F92-L140 HydrophobicContact CG-CD2 3.9Å; F92-L140 HydrophobicContact CZ-CD1 4.38Å; L115-L140 HydrophobicContact CD1-CD1 4.4Å; F136-L140 HydrophobicContact CZ-CB 4.09Å; L140-L143 HydrophobicContact CD1-CD2 3.76Å; L140-L143 HydrophobicContact CD1-CG 3.93Å; L140-L143 HydrophobicContact CD2-CD1 4.01Å; L140-L143 HydrophobicContact CD2-CG 4.14Å; L140-L143 HydrophobicContact CG-CG 4.49Å | ||
| 141 | T | 98.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -130.7 | -26.4 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | E78 R79 F108 G109 N110 | E78-T141 CarbonylContact C-O 3.53Å; E78-T141 VanDerWaalsContact CA-O 3.31Å; E78-T141 WeakPolarHBondContact CA-O 3.22Å; R79-T141 PolarHBondContact N-O 3.49Å; F108-T141 PolarHBondContact O-N 3.17Å; F108-T141 PolarHBondContact O-OG1 2.9Å; G109-T141 WeakPolarHBondContact O-CG2 3.34Å; G109-T141 PolarHBondContact O-OG1 2.76Å; N110-T141 WeakPolarHBondContact OD1-CG2 3.41Å |
| 142 | R | 98.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 53 Ų | 53 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 139.9 | -178.5 | -173.8 | -175.6 | 177.3 | 107.1 | -1.5 | 112.1 | V76 V77 E78 A107 F108 | V76-R142 HydrophobicContact CG1-CG 4.33Å; V77-R142 CarbonylContact O-C 3.55Å; V77-R142 VanDerWaalsContact O-CA 3.25Å; V77-R142 WeakPolarHBondContact O-CA 3.5Å; E78-R142 HydrophobicContact CB-CG 4.34Å; E78-R142 VanDerWaalsContact CD-NH1 3.32Å; E78-R142 HydrophobicContact CG-CB 4.33Å; E78-R142 HydrophobicContact CG-CG 4.37Å; E78-R142 WeakPolarHBondContact OE1-CD 3.48Å; E78-R142 IonicContact OE1-CZ 3.72Å; E78-R142 IonicContact OE1-NE 3.44Å; E78-R142 IonicContact OE1-NH1 2.8Å; E78-R142 PolarHBondContact OE1-NH1 2.98Å; E78-R142 IonicContact OE2-NH1 3.7Å; E78-R142 PolarHBondContact OE2-NH1 3.15Å; A107-R142 WeakPolarHBondContact CA-O 2.99Å; F108-R142 HydrophobicContact CB-CB 4.17Å; F108-R142 HydrophobicContact CD2-CB 4.19Å; F108-R142 HydrophobicContact CD2-CG 4.32Å; F108-R142 PolarHBondContact N-O 2.8Å; F108-R142 PolarHBondContact O-N 2.96Å |
| 143 | L | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.1 | 163.8 | -66 | 170.5 | 0 | 0 | 0 | 109.2 | F48 V76 V77 F92 L94 S106 A107 V129 L140 | F48-L143 HydrophobicContact CD2-CD1 3.92Å; F48-L143 HydrophobicContact CE2-CD1 3.6Å; V76-L143 WeakPolarHBondContact CA-O 3.31Å; V77-L143 HydrophobicContact CB-CB 4.37Å; V77-L143 PolarHBondContact N-O 2.86Å; V77-L143 PolarHBondContact O-N 2.78Å; F92-L143 HydrophobicContact CD2-CD1 3.72Å; F92-L143 HydrophobicContact CD2-CD2 3.93Å; F92-L143 HydrophobicContact CD2-CG 4.45Å; F92-L143 HydrophobicContact CE2-CD1 4.26Å; F92-L143 HydrophobicContact CE2-CD2 3.6Å; F92-L143 HydrophobicContact CG-CD1 4.35Å; F92-L143 HydrophobicContact CZ-CD2 4.23Å; L94-L143 HydrophobicContact CB-CD1 3.99Å; L94-L143 HydrophobicContact CD2-CB 3.85Å; S106-L143 CarbonylContact O-C 3.48Å; S106-L143 WeakPolarHBondContact O-CA 3.3Å; A107-L143 HydrophobicContact CB-CD2 3.48Å; A107-L143 VanDerWaalsContact CB-CD2 3.48Å; V129-L143 HydrophobicContact CG1-CD2 4.4Å; L140-L143 HydrophobicContact CD1-CD2 3.76Å; L140-L143 HydrophobicContact CD1-CG 3.93Å; L140-L143 HydrophobicContact CD2-CD1 4.01Å; L140-L143 HydrophobicContact CD2-CG 4.14Å; L140-L143 HydrophobicContact CG-CG 4.49Å |
| 144 | S | 98.3 | Very high | 90 | Very high | 17 Ų | 17 | 59 Ų | 59 | 12% | 0.119 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.6 | 166.2 | 76.7 | 0 | 0 | 0 | 0 | 111.4 | C75 A105 S106 | C75-S144 CarbonylContact O-C 3.51Å; C75-S144 VanDerWaalsContact O-CA 3.3Å; C75-S144 WeakPolarHBondContact O-CA 3.14Å; A105-S144 CarbonylContact C-O 3.54Å; A105-S144 WeakPolarHBondContact CA-O 2.97Å; A105-S144 VanDerWaalsContact CB-O 3.31Å; A105-S144 WeakPolarHBondContact CB-O 3.27Å; S106-S144 PolarHBondContact N-O 2.86Å; S106-S144 PolarHBondContact O-N 2.92Å; S106-S144 PolarHBondContact OG-OG 3Å |
| 145 | L | 98.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.3 | 171.4 | -162.4 | 156.8 | 0 | 0 | 0 | 108.4 | G74 C75 L94 V96 A102 S104 A105 F122 V129 F147 | G74-L145 WeakPolarHBondContact CA-O 3.11Å; C75-L145 PolarHBondContact N-O 3.11Å; C75-L145 PolarHBondContact O-N 2.91Å; L94-L145 HydrophobicContact CD2-CB 4.11Å; V96-L145 HydrophobicContact CG1-CD2 4.01Å; V96-L145 HydrophobicContact CG2-CD2 3.72Å; A102-L145 HydrophobicContact CB-CD2 4.2Å; S104-L145 WeakPolarHBondContact O-CA 3.37Å; A105-L145 HydrophobicContact CB-CG 4.37Å; F122-L145 HydrophobicContact CE2-CD1 4.46Å; F122-L145 HydrophobicContact CE2-CG 4.43Å; V129-L145 HydrophobicContact CG1-CD1 4.45Å; L145-F147 HydrophobicContact CD2-CB 4.15Å; L145-F147 HydrophobicContact CD2-CD1 3.48Å; L145-F147 VanDerWaalsContact CD2-CD1 3.48Å; L145-F147 HydrophobicContact CD2-CE1 4.3Å; L145-F147 HydrophobicContact CD2-CG 4.22Å |
| 146 | E | 97.1 | Very high | 85.6 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.3 | 175.3 | -60.4 | -177 | 166.8 | 0 | 0 | 109.8 | Y73 L103 S104 | Y73-E146 WeakPolarHBondContact O-CA 3.45Å; L103-E146 HydrophobicContact CB-CB 4.45Å; L103-E146 PolarHBondContact N-O 2.98Å; S104-E146 PolarHBondContact N-O 2.01Å; S104-E146 PolarHBondContact O-N 2.94Å; S104-E146 WeakPolarHBondContact OG-CB 3.5Å; S104-E146 PolarHBondContact OG-OE2 2.86Å; S104-E146 VanDerWaalsContact OG-OE2 3.11Å |
| 147 | F | 96.6 | Very high | 85 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 162.7 | -174.7 | 53.5 | -85.9 | 0 | 0 | 0 | 111.1 | I44 L64 Y73 C75 V96 V100 E101 L145 | I44-F147 HydrophobicContact CD1-CE2 3.95Å; I44-F147 HydrophobicContact CG2-CE2 3.62Å; I44-F147 HydrophobicContact CG2-CZ 3.95Å; L64-F147 HydrophobicContact CD1-CE1 4.42Å; L64-F147 HydrophobicContact CD1-CZ 3.71Å; Y73-F147 VanDerWaalsContact CB-CZ 3.45Å; Y73-F147 HydrophobicContact CD1-CE2 4.45Å; Y73-F147 HydrophobicContact CD2-CD2 4.42Å; Y73-F147 HydrophobicContact CD2-CE2 4.12Å; Y73-F147 HydrophobicContact CG-CD2 4.34Å; Y73-F147 AromaticContact CG-CE2 3.71Å; Y73-F147 HydrophobicContact CG-CE2 3.71Å; Y73-F147 HydrophobicContact CG-CZ 4.25Å; Y73-F147 PolarHBondContact N-O 2.98Å; Y73-F147 PolarHBondContact O-N 3.2Å; C75-F147 HydrophobicContact CB-CE1 4Å; V96-F147 HydrophobicContact CB-CE1 4.4Å; V96-F147 HydrophobicContact CG1-CD1 3.99Å; V96-F147 HydrophobicContact CG1-CE1 3.62Å; V96-F147 HydrophobicContact CG1-CZ 4.06Å; V96-F147 HydrophobicContact CG2-CD1 4.23Å; V96-F147 HydrophobicContact CG2-CG 4.31Å; V100-F147 HydrophobicContact CB-CB 4.35Å; V100-F147 HydrophobicContact CB-CD2 3.93Å; V100-F147 HydrophobicContact CB-CG 4.48Å; V100-F147 HydrophobicContact CG1-CD2 3.77Å; V100-F147 HydrophobicContact CG1-CE2 4.18Å; V100-F147 HydrophobicContact CG2-CB 4.42Å; V100-F147 HydrophobicContact CG2-CD2 4.29Å; E101-F147 CarbonylContact O-C 3.55Å; E101-F147 WeakPolarHBondContact O-CA 3.3Å; E101-F147 VanDerWaalsContact O-CB 3.31Å; E101-F147 WeakPolarHBondContact O-CB 3.37Å; L145-F147 HydrophobicContact CD2-CB 4.15Å; L145-F147 HydrophobicContact CD2-CD1 3.48Å; L145-F147 VanDerWaalsContact CD2-CD1 3.48Å; L145-F147 HydrophobicContact CD2-CE1 4.3Å; L145-F147 HydrophobicContact CD2-CG 4.22Å |
| 148 | V | 94.5 | Very high | 84.3 | Confident | 40 Ų | 40 | 68 Ų | 68 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.8 | 172.4 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | K71 V100 E101 L103 T150 | K71-V148 CarbonylContact O-C 3.46Å; K71-V148 WeakPolarHBondContact O-CA 2.8Å; V100-V148 CarbonylContact C-O 3.48Å; V100-V148 WeakPolarHBondContact CA-O 3.21Å; V100-V148 WeakPolarHBondContact CB-O 3.45Å; E101-V148 HydrophobicContact CB-CG2 3.78Å; E101-V148 PolarHBondContact N-O 3.07Å; E101-V148 PolarHBondContact O-N 3.4Å; L103-V148 HydrophobicContact CD1-CG1 3.84Å; L103-V148 HydrophobicContact CD2-CG2 4.37Å; L103-V148 HydrophobicContact CG-CG1 4.41Å; V148-T150 PolarHBondContact O-N 3.03Å |
| 149 | S | 92 | Very high | 83.6 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.4 | 170.2 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | K71 | K71-S149 PolarHBondContact O-N 3.25Å |
| 150 | T | 87.3 | Confident | 82.8 | Confident | 52 Ų | 52 | 74 Ų | 74 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 135.5 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 108.1 | P99 E101 V148 M152 | P99-T150 WeakPolarHBondContact CB-OG1 3.48Å; P99-T150 WeakPolarHBondContact CG-O 3.28Å; P99-T150 PolarHBondContact O-N 3.32Å; P99-T150 PolarHBondContact O-OG1 3.29Å; E101-T150 HydrophobicContact CB-CG2 4.19Å; V148-T150 PolarHBondContact O-N 3.03Å; T150-M152 PolarHBondContact O-N 3.38Å |
| 151 | P | 74.8 | Confident | 81.8 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 131.3 | 171.4 | -19.8 | 30.1 | 0 | 0 | 0 | 109.2 | K153 | P151-K153 PolarHBondContact O-N 3.38Š|
| 152 | M | 63.2 | Low | 80.7 | Confident | 156 Ų | 156 | 83.6 Ų | 83.6 | 77% | 0.768 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 117.7 | 165.7 | -68.3 | -175.2 | 79.2 | 0 | 0 | 106.7 | P99 T150 P154 | P99-M152 HydrophobicContact CB-CG 4.19Å; P99-M152 HydrophobicContact CG-CG 3.61Å; T150-M152 PolarHBondContact O-N 3.38Å; M152-P154 WeakPolarHBondContact O-CD 3.35Å |
| 153 | K | 57.4 | Low | 79.4 | Confident | 169 Ų | 169 | 84.1 Ų | 84.1 | 74% | 0.735 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 127.3 | 167.1 | -169.4 | 179.5 | 179.7 | -176.5 | 0 | 105.9 | P151 E155 | P151-K153 PolarHBondContact O-N 3.38Å; K153-E155 PolarHBondContact O-N 3.4Å |
| 154 | P | 51.7 | Low | 77.9 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 128.9 | 170.3 | -19.8 | 30 | 0 | 0 | 0 | 107.8 | M152 L156 | M152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-L156 PolarHBondContact O-N 3.39Å; P154-L156 VanDerWaalsContact O-N 3.11Å |
| 155 | E | 58 | Low | 76.3 | Confident | 199 Ų | 199 | 96.8 Ų | 96.8 | 93% | 0.93 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -59 | 117.2 | 165.9 | -70 | -175.5 | 160.5 | 0 | 0 | 106.6 | K153 | K153-E155 PolarHBondContact O-N 3.4Š|
| 156 | L | 44.3 | Very low | 74.3 | Confident | 222 Ų | 222 | 105.5 Ų | 105.5 | 100% | 1.162 | 56% | 0.558 | S | S | * | * | trans | -76.5 | 0 | 177.1 | -92.7 | 151.9 | 0 | 0 | 0 | 110.1 | P154 | P154-L156 PolarHBondContact O-N 3.39Å; P154-L156 VanDerWaalsContact O-N 3.11Å |
Retrieved 156 of 156 residues in 79.9 ms
(Link to these results)