| 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 | 40.3 | Very low | 42.3 | Very low | 226 Ų | 226 | 157.4 Ų | 157.4 | 100% | 1.113 | 76% | 0.76 | S | S | * | * | 0 | 107.3 | 0 | -72.7 | 157 | 94.4 | 0 | 0 | 108 | Y3 | M1-Y3 PolarHBondContact O-N 3.1Š| |||
| 2 | R | 36.8 | Very low | 45.4 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 71% | 0.714 | S | S | * | * | trans | -80.4 | 110.4 | 174 | -79 | -176.8 | 176.4 | -175.9 | -1.1 | 107.7 | F4 | R2-F4 PolarHBondContact O-N 3.43Å; R2-F4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | Y | 38.2 | Very low | 49.2 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | trans | -66.7 | 102.6 | 168.7 | -88.4 | -96 | 0 | 0 | 0 | 108.1 | M1 Q5 | M1-Y3 PolarHBondContact O-N 3.1Å; Y3-Q5 VanDerWaalsContact C-N 3.29Å; Y3-Q5 PolarHBondContact O-N 3.26Å | ||
| 4 | F | 43 | Very low | 52.5 | Low | 185 Ų | 185 | 127.9 Ų | 127.9 | 81% | 0.811 | 63% | 0.626 | S | S | * | * | trans | -69.5 | 95.2 | 159 | -85 | -91 | 0 | 0 | 0 | 106.6 | R2 L6 | R2-F4 PolarHBondContact O-N 3.43Å; R2-F4 VanDerWaalsContact O-N 3.1Å; F4-L6 PolarHBondContact O-N 3.36Å | ||
| 5 | Q | 37.8 | Very low | 55.4 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | trans | -64 | 94.5 | 158 | -86.7 | -179.5 | -40.3 | 0 | 0 | 106.3 | Y3 V7 | Y3-Q5 VanDerWaalsContact C-N 3.29Å; Y3-Q5 PolarHBondContact O-N 3.26Å; Q5-V7 HydrophobicContact CB-CG2 4.44Å; Q5-V7 PolarHBondContact O-N 3.45Å | ||
| 6 | L | 38.7 | Very low | 57.9 | Low | 163 Ų | 163 | 117.6 Ų | 117.6 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | trans | -59.8 | 85.9 | 156 | -95.6 | 143.4 | 0 | 0 | 0 | 106.1 | F4 A8 | F4-L6 PolarHBondContact O-N 3.36Å; L6-A8 PolarHBondContact O-N 2.81Å | ||
| 7 | V | 38.5 | Very low | 60.1 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 68% | 0.679 | 57% | 0.573 | S | S | * | * | trans | -68.4 | 85 | 158.3 | -174.8 | 0 | 0 | 0 | 0 | 103.8 | Q5 L9 | Q5-V7 HydrophobicContact CB-CG2 4.44Å; Q5-V7 PolarHBondContact O-N 3.45Å; V7-L9 VanDerWaalsContact C-N 3.28Å; V7-L9 PolarHBondContact O-N 3.01Å | ||
| 8 | A | 43.2 | Very low | 62 | Low | 69 Ų | 69 | 110.8 Ų | 110.8 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | trans | -53.9 | 107.3 | 159 | 0 | 0 | 0 | 0 | 0 | 104.3 | L6 I10 | L6-A8 PolarHBondContact O-N 2.81Å; A8-I10 PolarHBondContact O-N 3.35Å | ||
| 9 | L | 43.5 | Very low | 63.6 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 72% | 0.723 | 56% | 0.559 | S | S | * | * | trans | -61.6 | 87.1 | 163.6 | -86.3 | 120.8 | 0 | 0 | 0 | 104.6 | V7 Q11 | V7-L9 VanDerWaalsContact C-N 3.28Å; V7-L9 PolarHBondContact O-N 3.01Å; L9-Q11 PolarHBondContact O-N 2.71Å | ||
| 10 | I | 51 | Low | 65.1 | Low | 149 Ų | 149 | 103.8 Ų | 103.8 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | trans | -64.1 | 90.7 | 161.8 | -59.8 | 172.7 | 0 | 0 | 0 | 102.4 | A8 S12 | A8-I10 PolarHBondContact O-N 3.35Å; I10-S12 PolarHBondContact O-N 2.98Å | ||
| 11 | Q | 54.2 | Low | 66.4 | Low | 65 Ų | 65 | 103.4 Ų | 103.4 | 30% | 0.304 | 53% | 0.526 | S | S | . | . | trans | -68.5 | 95.4 | 178.4 | -167.6 | 156.5 | -15.4 | 0 | 0 | 106 | L9 | L9-Q11 PolarHBondContact O-N 2.71Š| ||
| 12 | S | 79.1 | Confident | 68.7 | Low | 30 Ų | 30 | 97.1 Ų | 97.1 | 21% | 0.21 | 49% | 0.492 | C | S | . | . | trans | -69.1 | 141.5 | -176.1 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | I10 I15 | I10-S12 PolarHBondContact O-N 2.98Å; S12-I15 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 13 | C | 94.7 | Very high | 71.2 | Confident | 29 Ų | 29 | 89.7 Ų | 89.7 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 154.7 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | I15 P150 C152 | C13-I15 PolarHBondContact O-N 3.05Å; C13-P150 CarbonylContact C-O 3.56Å; C13-P150 WeakPolarHBondContact CA-O 3.29Å; C13-P150 HydrophobicContact CB-CG 4.14Å; C13-C152 HydrophobicContact CB-CB 3.99Å; C13-C152 WeakPolarHBondContact CB-SG 3.4Å; C13-C152 PolarHBondContact O-SG 3.24Å; C13-C152 WeakPolarHBondContact SG-CA 3.48Å; C13-C152 WeakPolarHBondContact SG-CB 3.44Å; C13-C152 CovalentContact SG-SG 2.05Å; C13-C152 PolarHBondContact SG-SG 3.4Å |
| 14 | G | 96.2 | Very high | 73.3 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 9.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P150 R233 Y234 | G14-P150 PolarHBondContact N-O 3.47Å; G14-R233 WeakPolarHBondContact O-CA 3.2Å; G14-Y234 VanDerWaalsContact CA-O 3.3Å; G14-Y234 WeakPolarHBondContact CA-O 3.37Å; G14-Y234 PolarHBondContact O-N 3.27Å |
| 15 | I | 95.7 | Very high | 75.1 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | trans | -115.4 | 95.4 | 175.4 | -54.5 | -174.7 | 0 | 0 | 0 | 109.1 | S12 C13 R233 | S12-I15 WeakPolarHBondContact OG-CD1 3.5Å; C13-I15 PolarHBondContact O-N 3.05Å; I15-R233 HydrophobicContact CD1-CG 4.08Å; I15-R233 HydrophobicContact CG1-CG 3.85Å | ||
| 16 | P | 95.8 | Very high | 76.6 | Confident | 18 Ų | 18 | 76 Ų | 76 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | trans | -74.9 | 146 | 178.3 | 31.4 | -33.5 | 0 | 0 | 0 | 111 | N18 P20 S42 P44 W45 Y234 | P16-N18 WeakPolarHBondContact CB-O 3.29Å; P16-N18 PolarHBondContact O-N 2.9Å; P16-P20 HydrophobicContact CG-CG 4.28Å; P16-S42 WeakPolarHBondContact CB-O 3.16Å; P16-P44 HydrophobicContact CB-CG 3.82Å; P16-W45 HydrophobicContact CB-CH2 4.43Å; P16-W45 HydrophobicContact CB-CZ3 4.07Å; P16-W45 HydrophobicContact CG-CH2 4.13Å; P16-W45 HydrophobicContact CG-CZ3 4.11Å; P16-Y234 HydrophobicContact CG-CD2 4.39Å; P16-Y234 HydrophobicContact CG-CE2 4.34Å | ||
| 17 | A | 95.1 | Very high | 77.8 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -62.4 | -32.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K146 | A17-K146 HydrophobicContact CB-CB 3.81Å; A17-K146 HydrophobicContact CB-CG 3.9Å |
| 18 | N | 93.7 | Very high | 78.7 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -111.2 | 119.2 | 172.6 | -70.8 | -54.5 | 0 | 0 | 0 | 109.7 | P16 K39 S42 | P16-N18 WeakPolarHBondContact CB-O 3.29Å; P16-N18 PolarHBondContact O-N 2.9Å; N18-K39 HydrophobicContact CB-CD 4.45Å; N18-S42 VanDerWaalsContact O-CA 3.3Å; N18-S42 WeakPolarHBondContact O-CA 3.29Å; N18-S42 VanDerWaalsContact O-CB 3.29Å; N18-S42 WeakPolarHBondContact O-CB 3.44Å |
| 19 | A | 92.9 | Very high | 79.2 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 133.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 20 | P | 93.9 | Very high | 79.3 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 7% | 0.065 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 151.1 | 173.2 | -24.8 | 34 | 0 | 0 | 0 | 112.5 | P16 K22 S42 L43 Y234 | P16-P20 HydrophobicContact CG-CG 4.28Å; P20-K22 PolarHBondContact O-N 2.99Å; P20-S42 WeakPolarHBondContact CG-O 3.48Å; P20-L43 HydrophobicContact CB-CD2 4.02Å; P20-L43 HydrophobicContact CG-CD2 3.76Å; P20-Y234 HydrophobicContact CG-CE2 3.86Å |
| 21 | R | 91.2 | Very high | 78.9 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 123.4 | 169 | -76.3 | 175.7 | 173.9 | 169.3 | -4 | 109 | E37 K39 Q185 | R21-E37 PolarHBondContact NH1-O 3.36Å; R21-K39 HydrophobicContact CG-CB 4.21Å; R21-Q185 PolarHBondContact O-NE2 3.07Å |
| 22 | K | 89.7 | Confident | 78.7 | Confident | 93 Ų | 93 | 64 Ų | 64 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -85 | -18.8 | 176.9 | -60.1 | -171.4 | -175.7 | -168.3 | 0 | 113.1 | P20 F167 E229 | P20-K22 PolarHBondContact O-N 2.99Å; K22-F167 HydrophobicContact CB-CZ 4.22Å; K22-F167 HydrophobicContact CG-CZ 4.33Å; K22-E229 VanDerWaalsContact CE-OE2 3.23Å; K22-E229 WeakPolarHBondContact CE-OE2 3.36Å; K22-E229 IonicContact NZ-OE1 3.54Å; K22-E229 PolarHBondContact NZ-OE1 3.4Å; K22-E229 IonicContact NZ-OE2 2.81Å; K22-E229 PolarHBondContact NZ-OE2 3.11Å |
| 23 | T | 88.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -135.8 | 158.1 | 178.1 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 24 | P | 84.1 | Confident | 75.7 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 145.2 | 173 | -14 | 23.3 | 0 | 0 | 0 | 111.7 | N30 W36 Y212 | P24-N30 WeakPolarHBondContact CB-OD1 3.32Å; P24-N30 VanDerWaalsContact CG-CG 3.45Å; P24-N30 WeakPolarHBondContact CG-OD1 3.44Å; P24-W36 HydrophobicContact CB-CB 4.24Å; P24-W36 HydrophobicContact CB-CD2 4.1Å; P24-W36 HydrophobicContact CB-CE3 3.99Å; P24-W36 HydrophobicContact CB-CG 4.22Å; P24-W36 HydrophobicContact CG-CD2 4.07Å; P24-W36 HydrophobicContact CG-CE3 3.54Å; P24-W36 HydrophobicContact CG-CZ3 3.87Å; P24-Y212 WeakPolarHBondContact CD-OH 3.4Å; P24-Y212 HydrophobicContact CG-CE1 4.44Å; P24-Y212 HydrophobicContact CG-CE2 4.14Å |
| 25 | P | 79.7 | Confident | 74.6 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 25% | 0.253 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 145.7 | 170.4 | 10.9 | -13.3 | 0 | 0 | 0 | 111.7 | G27 T28 | P25-G27 PolarHBondContact O-N 2.88Å; P25-T28 HydrophobicContact CB-CG2 4.31Å; P25-T28 VanDerWaalsContact CD-OG1 3.29Å; P25-T28 WeakPolarHBondContact CD-OG1 3.42Å; P25-T28 HydrophobicContact CG-CG2 3.89Å; P25-T28 VanDerWaalsContact CG-OG1 3.26Å; P25-T28 WeakPolarHBondContact CG-OG1 3.43Å; P25-T28 PolarHBondContact O-N 3.3Å; P25-T28 PolarHBondContact O-OG1 3.45Å |
| 26 | K | 70.4 | Confident | 74.3 | Confident | 219 Ų | 219 | 60.9 Ų | 60.9 | 95% | 0.952 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.7 | 177.8 | -71.2 | -174.5 | 178.9 | -178.8 | 0 | 109.4 | ||
| 27 | G | 62.7 | Low | 74.1 | Confident | 88 Ų | 88 | 64 Ų | 64 | 91% | 0.907 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -6.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P25 | P25-G27 PolarHBondContact O-N 2.88Š|
| 28 | T | 58.3 | Low | 74.1 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 120.4 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | P25 N30 | P25-T28 HydrophobicContact CB-CG2 4.31Å; P25-T28 VanDerWaalsContact CD-OG1 3.29Å; P25-T28 WeakPolarHBondContact CD-OG1 3.42Å; P25-T28 HydrophobicContact CG-CG2 3.89Å; P25-T28 VanDerWaalsContact CG-OG1 3.26Å; P25-T28 WeakPolarHBondContact CG-OG1 3.43Å; P25-T28 PolarHBondContact O-N 3.3Å; P25-T28 PolarHBondContact O-OG1 3.45Å; T28-N30 PolarHBondContact O-N 2.89Å |
| 29 | L | 53.7 | Low | 74.1 | Confident | 155 Ų | 155 | 62.5 Ų | 62.5 | 81% | 0.812 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 123 | 155.9 | -68.9 | 161.3 | 0 | 0 | 0 | 105.7 | R31 | L29-R31 WeakPolarHBondContact O-CG 3.47Š|
| 30 | N | 44.1 | Very low | 74.1 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -47 | 139.1 | 174.2 | -51.2 | -6.8 | 0 | 0 | 0 | 108.9 | P24 T28 Y34 G35 Y212 | P24-N30 WeakPolarHBondContact CB-OD1 3.32Å; P24-N30 VanDerWaalsContact CG-CG 3.45Å; P24-N30 WeakPolarHBondContact CG-OD1 3.44Å; T28-N30 PolarHBondContact O-N 2.89Å; N30-Y34 VanDerWaalsContact C-CA 3.44Å; N30-Y34 CarbonylContact C-O 3.41Å; N30-Y34 WeakPolarHBondContact CB-O 3.35Å; N30-Y34 CarbonylContact O-C 3.32Å; N30-Y34 WeakPolarHBondContact O-CA 3.48Å; N30-G35 VanDerWaalsContact C-N 3.26Å; N30-Y212 VanDerWaalsContact ND2-CB 3.31Å; N30-Y212 WeakPolarHBondContact ND2-CB 3.16Å |
| 31 | R | 43.5 | Very low | 74.1 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | trans | -147.7 | 56 | 175.8 | -57 | -169.6 | 125.9 | -165.3 | -18.9 | 125.4 | L29 Y34 G35 E175 D176 K184 | L29-R31 WeakPolarHBondContact O-CG 3.47Å; R31-Y34 VanDerWaalsContact CA-C 3.49Å; R31-Y34 VanDerWaalsContact CA-CA 3.48Å; R31-G35 CarbonylContact C-O 3.3Å; R31-G35 WeakPolarHBondContact CA-O 3.24Å; R31-G35 VanDerWaalsContact N-CA 3.28Å; R31-G35 PolarHBondContact N-O 2.72Å; R31-E175 WeakPolarHBondContact CB-OE1 3.19Å; R31-E175 WeakPolarHBondContact CD-OE1 3.47Å; R31-E175 WeakPolarHBondContact CG-OE1 3.12Å; R31-E175 IonicContact CZ-OE1 3.97Å; R31-E175 IonicContact NE-OE1 3.54Å; R31-E175 PolarHBondContact NE-OE1 3.43Å; R31-E175 IonicContact NH2-OE1 3.97Å; R31-E175 PolarHBondContact NH2-OE1 2.86Å; R31-D176 IonicContact CZ-OD1 3.85Å; R31-D176 IonicContact CZ-OD2 2.59Å; R31-D176 IonicContact NE-OD2 2.69Å; R31-D176 IonicContact NH1-OD1 3.37Å; R31-D176 IonicContact NH1-OD2 2.87Å; R31-D176 PolarHBondContact NH1-OD2 3.15Å; R31-D176 IonicContact NH2-OD1 3.22Å; R31-D176 PolarHBondContact NH2-OD1 3.19Å; R31-D176 IonicContact NH2-OD2 3.41Å; R31-D176 PolarHBondContact NH2-OD2 2.76Å; R31-K184 WeakPolarHBondContact O-CD 3.5Å; R31-K184 WeakPolarHBondContact O-CE 3.46Å; R31-K184 PolarHBondContact O-NZ 3.15Å | ||
| 32 | I | 50.1 | Low | 74.3 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -84 | 105.9 | 130.2 | -75.9 | -148.5 | 0 | 0 | 0 | 105.2 | Y34 G35 K184 T216 | I32-Y34 CarbonylContact O-C 3.53Å; I32-Y34 WeakPolarHBondContact O-CA 3.45Å; I32-Y34 PolarHBondContact O-N 3.49Å; I32-G35 PolarHBondContact N-O 3.27Å; I32-G35 PolarHBondContact O-N 2.76Å; I32-K184 HydrophobicContact CB-CB 4.46Å; I32-K184 HydrophobicContact CD1-CB 3.83Å; I32-K184 WeakPolarHBondContact CD1-O 3.3Å; I32-K184 HydrophobicContact CG1-CB 3.2Å; I32-K184 HydrophobicContact CG1-CD 4.33Å; I32-K184 HydrophobicContact CG1-CG 4.38Å; I32-T216 VanDerWaalsContact CG2-O 3.23Å; I32-T216 WeakPolarHBondContact CG2-O 3.47Å |
| 33 | S | 50.5 | Low | 74.7 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 12.3 | 70.9 | -152.7 | -166.3 | 0 | 0 | 0 | 0 | 109.1 | E175 R214 S215 C247 A248 | S33-E175 VanDerWaalsContact CA-OE2 3.28Å; S33-E175 WeakPolarHBondContact CA-OE2 3.32Å; S33-R214 CarbonylContact O-C 3.31Å; S33-R214 VanDerWaalsContact O-C 3.31Å; S33-S215 WeakPolarHBondContact O-CA 3.21Å; S33-C247 PolarHBondContact OG-O 2.61Å; S33-A248 WeakPolarHBondContact OG-CB 3.11Å |
| 34 | Y | 59.7 | Low | 75.2 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 81.9 | 25.9 | -167.2 | -41.5 | -86.2 | 0 | 0 | 0 | 122.7 | N30 R31 I32 R214 S215 A248 | N30-Y34 VanDerWaalsContact C-CA 3.44Å; N30-Y34 CarbonylContact C-O 3.41Å; N30-Y34 WeakPolarHBondContact CB-O 3.35Å; N30-Y34 CarbonylContact O-C 3.32Å; N30-Y34 WeakPolarHBondContact O-CA 3.48Å; R31-Y34 VanDerWaalsContact CA-C 3.49Å; R31-Y34 VanDerWaalsContact CA-CA 3.48Å; I32-Y34 CarbonylContact O-C 3.53Å; I32-Y34 WeakPolarHBondContact O-CA 3.45Å; I32-Y34 PolarHBondContact O-N 3.49Å; Y34-R214 HydrophobicContact CD2-CB 3.12Å; Y34-R214 HydrophobicContact CD2-CG 4.12Å; Y34-R214 HydrophobicContact CE2-CB 3.79Å; Y34-R214 HydrophobicContact CE2-CG 4.36Å; Y34-R214 HydrophobicContact CG-CB 3.61Å; Y34-R214 VanDerWaalsContact CZ-NH1 3.33Å; Y34-R214 PolarHBondContact OH-NH1 3.46Å; Y34-R214 PolarHBondContact OH-NH2 2.94Å; Y34-S215 WeakPolarHBondContact O-CB 3.41Å; Y34-S215 PolarHBondContact O-OG 2.83Å; Y34-A248 HydrophobicContact CD2-CB 4.32Å; Y34-A248 HydrophobicContact CE2-CB 4.47Å |
| 35 | G | 74.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -116.8 | 147.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | N30 R31 I32 Q185 S215 | N30-G35 VanDerWaalsContact C-N 3.26Å; R31-G35 CarbonylContact C-O 3.3Å; R31-G35 WeakPolarHBondContact CA-O 3.24Å; R31-G35 VanDerWaalsContact N-CA 3.28Å; R31-G35 PolarHBondContact N-O 2.72Å; I32-G35 PolarHBondContact N-O 3.27Å; I32-G35 PolarHBondContact O-N 2.76Å; G35-Q185 CarbonylContact C-O 3.5Å; G35-Q185 WeakPolarHBondContact CA-O 3.36Å; G35-S215 VanDerWaalsContact CA-OG 3.24Å; G35-S215 WeakPolarHBondContact CA-OG 3.49Å; G35-S215 PolarHBondContact N-OG 2.59Å | ||
| 36 | W | 88.5 | Confident | 76.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 159.9 | -166.8 | 60.2 | 97.8 | 0 | 0 | 0 | 115.8 | P24 A38 F167 K184 Q185 R187 Y212 | P24-W36 HydrophobicContact CB-CB 4.24Å; P24-W36 HydrophobicContact CB-CD2 4.1Å; P24-W36 HydrophobicContact CB-CE3 3.99Å; P24-W36 HydrophobicContact CB-CG 4.22Å; P24-W36 HydrophobicContact CG-CD2 4.07Å; P24-W36 HydrophobicContact CG-CE3 3.54Å; P24-W36 HydrophobicContact CG-CZ3 3.87Å; W36-A38 PolarHBondContact O-N 3.36Å; W36-F167 HydrophobicContact CH2-CE1 4.41Å; W36-F167 HydrophobicContact CZ2-CD1 4.47Å; W36-F167 HydrophobicContact CZ2-CE1 4.28Å; W36-K184 WeakPolarHBondContact O-CA 3.47Å; W36-Q185 HydrophobicContact CZ2-CG 4.41Å; W36-Q185 PolarHBondContact N-O 3.29Å; W36-Q185 VanDerWaalsContact NE1-NE2 3.14Å; W36-Q185 PolarHBondContact O-N 3.19Å; W36-R187 HydrophobicContact CH2-CB 4.05Å; W36-Y212 HydrophobicContact CH2-CD2 4.39Å; W36-Y212 AromaticContact CH2-CE2 3.88Å; W36-Y212 HydrophobicContact CH2-CE2 3.88Å; W36-Y212 AromaticContact CZ3-CD2 3.74Å; W36-Y212 HydrophobicContact CZ3-CD2 3.74Å; W36-Y212 AromaticContact CZ3-CE2 3.55Å; W36-Y212 HydrophobicContact CZ3-CE2 3.55Å |
| 37 | E | 92.3 | Very high | 78.1 | Confident | 85 Ų | 85 | 37.6 Ų | 37.6 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -58.5 | 128.4 | 169.8 | -168.9 | -171.6 | 154.3 | 0 | 0 | 110.7 | R21 H102 V182 | R21-E37 PolarHBondContact NH1-O 3.36Å; E37-H102 IonicContact OE1-CD2 3.46Å; E37-H102 IonicContact OE1-CE1 3.63Å; E37-H102 IonicContact OE1-NE2 3.92Å; E37-H102 PolarHBondContact OE1-NE2 3.24Å; E37-V182 HydrophobicContact CG-CB 4.23Å; E37-V182 HydrophobicContact CG-CG2 4.01Å |
| 38 | A | 94.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 153.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W36 L43 H102 L183 Q185 | W36-A38 PolarHBondContact O-N 3.36Å; A38-L43 HydrophobicContact CB-CD1 3.94Å; A38-L43 HydrophobicContact CB-CG 4.46Å; A38-H102 PolarHBondContact O-CE1 3.28Å; A38-L183 HydrophobicContact CB-CB 4.43Å; A38-L183 HydrophobicContact CB-CD2 4.31Å; A38-L183 HydrophobicContact CB-CG 4.04Å; A38-L183 WeakPolarHBondContact CB-O 3.29Å; A38-L183 PolarHBondContact N-O 2.83Å; A38-Q185 HydrophobicContact CB-CG 4.1Å |
| 39 | K | 94.3 | Very high | 81.6 | Confident | 81 Ų | 81 | 31.1 Ų | 31.1 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 132.4 | 167.5 | 177.5 | -178.1 | 177.9 | -172 | 0 | 106.9 | N18 R21 N41 S42 | N18-K39 HydrophobicContact CB-CD 4.45Å; R21-K39 HydrophobicContact CG-CB 4.21Å; K39-N41 PolarHBondContact O-N 3.31Å; K39-S42 PolarHBondContact N-OG 3.4Å; K39-S42 WeakPolarHBondContact O-CB 3.32Å; K39-S42 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-OG 3.06Å |
| 40 | P | 93.3 | Very high | 83.6 | Confident | 61 Ų | 61 | 25 Ų | 25 | 40% | 0.396 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 130.4 | 179.4 | -30.8 | 35 | 0 | 0 | 0 | 112.1 | S42 | P40-S42 PolarHBondContact O-N 3.39Å; P40-S42 VanDerWaalsContact O-N 3.14Å |
| 41 | N | 92.7 | Very high | 86.1 | Confident | 39 Ų | 39 | 23.7 Ų | 23.7 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 27.6 | 178.9 | -54.9 | -40.6 | 0 | 0 | 0 | 114.6 | K39 E147 | K39-N41 PolarHBondContact O-N 3.31Å; N41-E147 HydrophobicContact CB-CB 4.41Å; N41-E147 HydrophobicContact CB-CG 3.86Å |
| 42 | S | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -90.5 | -12.5 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | P16 N18 P20 K39 P40 P44 | P16-S42 WeakPolarHBondContact CB-O 3.16Å; N18-S42 VanDerWaalsContact O-CA 3.3Å; N18-S42 WeakPolarHBondContact O-CA 3.29Å; N18-S42 VanDerWaalsContact O-CB 3.29Å; N18-S42 WeakPolarHBondContact O-CB 3.44Å; P20-S42 WeakPolarHBondContact CG-O 3.48Å; K39-S42 PolarHBondContact N-OG 3.4Å; K39-S42 WeakPolarHBondContact O-CB 3.32Å; K39-S42 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-OG 3.06Å; P40-S42 PolarHBondContact O-N 3.39Å; P40-S42 VanDerWaalsContact O-N 3.14Å; S42-P44 VanDerWaalsContact O-CD 3.28Å; S42-P44 WeakPolarHBondContact O-CD 3.35Å |
| 43 | L | 97.6 | Very high | 90 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -120.7 | 63.9 | 179.1 | -55.6 | 177.9 | 0 | 0 | 0 | 110.3 | P20 A38 W45 M46 A169 L183 Q185 F227 | P20-L43 HydrophobicContact CB-CD2 4.02Å; P20-L43 HydrophobicContact CG-CD2 3.76Å; A38-L43 HydrophobicContact CB-CD1 3.94Å; A38-L43 HydrophobicContact CB-CG 4.46Å; L43-W45 HydrophobicContact CD2-CH2 4.36Å; L43-W45 HydrophobicContact CD2-CZ2 3.65Å; L43-W45 PolarHBondContact O-N 3.43Å; L43-M46 HydrophobicContact CB-CG 3.68Å; L43-M46 HydrophobicContact CD1-CG 4.45Å; L43-M46 WeakPolarHBondContact O-CB 3.5Å; L43-M46 WeakPolarHBondContact O-CG 3.45Å; L43-M46 PolarHBondContact O-N 3.47Å; L43-A169 HydrophobicContact CD1-CB 3.54Å; L43-L183 HydrophobicContact CB-CD2 3.93Å; L43-L183 HydrophobicContact CD1-CD2 3.91Å; L43-L183 HydrophobicContact CD1-CG 4.31Å; L43-L183 HydrophobicContact CG-CD2 4.37Å; L43-Q185 HydrophobicContact CD1-CB 4.35Å; L43-F227 HydrophobicContact CD1-CZ 4.13Å; L43-F227 HydrophobicContact CD2-CE2 3.74Å; L43-F227 HydrophobicContact CD2-CZ 3.65Å | ||
| 44 | P | 97.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -4.3 | -168.1 | 32.8 | -40.8 | 0 | 0 | 0 | 114.7 | P16 S42 E147 V148 S149 | P16-P44 HydrophobicContact CB-CG 3.82Å; S42-P44 VanDerWaalsContact O-CD 3.28Å; S42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-E147 WeakPolarHBondContact CA-O 3.09Å; P44-E147 VanDerWaalsContact CB-C 3.45Å; P44-E147 VanDerWaalsContact CB-O 3.26Å; P44-E147 WeakPolarHBondContact CB-O 3.41Å; P44-V148 CarbonylContact O-C 3.57Å; P44-V148 WeakPolarHBondContact O-CA 3.1Å; P44-S149 CarbonylContact C-O 3.57Å; P44-S149 VanDerWaalsContact C-O 3.31Å; P44-S149 WeakPolarHBondContact CG-OG 3.08Å; P44-S149 PolarHBondContact O-N 2.87Å |
| 45 | W | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.8 | 173.6 | 47.5 | 79.4 | 0 | 0 | 0 | 112.8 | P16 L43 F63 L64 S149 I151 F227 Y234 | P16-W45 HydrophobicContact CB-CH2 4.43Å; P16-W45 HydrophobicContact CB-CZ3 4.07Å; P16-W45 HydrophobicContact CG-CH2 4.13Å; P16-W45 HydrophobicContact CG-CZ3 4.11Å; L43-W45 HydrophobicContact CD2-CH2 4.36Å; L43-W45 HydrophobicContact CD2-CZ2 3.65Å; L43-W45 PolarHBondContact O-N 3.43Å; W45-F63 CarbonylContact O-C 3.57Å; W45-F63 WeakPolarHBondContact O-CA 3.39Å; W45-L64 PolarHBondContact O-N 3.18Å; W45-S149 WeakPolarHBondContact CA-O 3.31Å; W45-S149 WeakPolarHBondContact CB-O 3.46Å; W45-S149 PolarHBondContact N-O 2.76Å; W45-I151 HydrophobicContact CB-CB 3.81Å; W45-I151 HydrophobicContact CB-CG2 4.18Å; W45-I151 HydrophobicContact CD2-CB 3.87Å; W45-I151 HydrophobicContact CD2-CD1 4.19Å; W45-I151 HydrophobicContact CD2-CG1 4.25Å; W45-I151 HydrophobicContact CE3-CB 4.19Å; W45-I151 HydrophobicContact CG-CB 3.69Å; W45-I151 HydrophobicContact CG-CD1 4.35Å; W45-I151 HydrophobicContact CG-CG1 4.45Å; W45-I151 HydrophobicContact CG-CG2 4.3Å; W45-I151 HydrophobicContact CZ2-CD1 4.41Å; W45-F227 AromaticContact CZ2-CD2 3.98Å; W45-F227 HydrophobicContact CZ2-CD2 3.98Å; W45-F227 HydrophobicContact CZ2-CE2 4.19Å; W45-F227 HydrophobicContact CZ2-CG 4.43Å; W45-Y234 AromaticContact CH2-CD2 3.68Å; W45-Y234 HydrophobicContact CH2-CD2 3.68Å; W45-Y234 HydrophobicContact CH2-CE2 4.44Å; W45-Y234 AromaticContact CH2-CG 3.74Å; W45-Y234 HydrophobicContact CH2-CG 3.74Å; W45-Y234 HydrophobicContact CZ2-CG 4.21Å; W45-Y234 HydrophobicContact CZ3-CD2 4.41Å |
| 46 | M | 98.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139 | -175 | -68.1 | -59.7 | -58.2 | 0 | 0 | 111.5 | L43 A169 W171 L183 P225 | L43-M46 HydrophobicContact CB-CG 3.68Å; L43-M46 HydrophobicContact CD1-CG 4.45Å; L43-M46 WeakPolarHBondContact O-CB 3.5Å; L43-M46 WeakPolarHBondContact O-CG 3.45Å; L43-M46 PolarHBondContact O-N 3.47Å; M46-A169 HydrophobicContact CE-CB 4.27Å; M46-A169 VanDerWaalsContact CE-O 3.24Å; M46-A169 WeakPolarHBondContact CE-O 3.41Å; M46-A169 HydrophobicContact SD-CB 4.2Å; M46-W171 HydrophobicContact CB-CH2 3.63Å; M46-W171 HydrophobicContact CB-CZ3 3.96Å; M46-W171 HydrophobicContact CE-CZ3 4.1Å; M46-L183 HydrophobicContact CB-CD2 4.27Å; M46-L183 HydrophobicContact CE-CD1 4.36Å; M46-L183 HydrophobicContact CG-CD1 4.37Å; M46-L183 HydrophobicContact CG-CD2 4.03Å; M46-P225 VanDerWaalsContact SD-CD 3.57Å; M46-P225 HydrophobicContact SD-CG 3.6Å |
| 47 | V | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.5 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | I49 A61 G62 L64 V76 V97 L99 | V47-I49 HydrophobicContact CG1-CG1 4.05Å; V47-A61 CarbonylContact O-C 3.48Å; V47-A61 WeakPolarHBondContact O-CA 3.24Å; V47-G62 PolarHBondContact N-O 2.62Å; V47-G62 PolarHBondContact O-N 3.36Å; V47-L64 HydrophobicContact CG2-CB 4.44Å; V47-V76 HydrophobicContact CB-CG1 4.09Å; V47-V76 HydrophobicContact CG1-CG1 4.08Å; V47-V76 HydrophobicContact CG1-CG2 4.39Å; V47-V76 HydrophobicContact CG2-CG1 4Å; V47-V76 HydrophobicContact CG2-CG2 3.99Å; V47-V97 HydrophobicContact CG1-CB 3.62Å; V47-V97 HydrophobicContact CG1-CG1 4.01Å; V47-V97 HydrophobicContact CG1-CG2 4.44Å; V47-L99 HydrophobicContact CG1-CG 4.24Å; V47-L99 HydrophobicContact CG2-CD2 3.61Å; V47-L99 HydrophobicContact CG2-CG 3.92Å |
| 48 | F | 97.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129 | 167.9 | -177.3 | -106.1 | 0 | 0 | 0 | 108.7 | I50 N59 V97 V98 L104 W171 | F48-I50 HydrophobicContact CD1-CD1 4.18Å; F48-I50 HydrophobicContact CD1-CG1 3.8Å; F48-I50 HydrophobicContact CE1-CD1 3.94Å; F48-I50 HydrophobicContact CE1-CG1 3.46Å; F48-I50 VanDerWaalsContact CE1-CG1 3.46Å; F48-I50 HydrophobicContact CZ-CG1 4.46Å; F48-N59 HydrophobicContact CE2-CB 3.82Å; F48-N59 HydrophobicContact CZ-CB 3.72Å; F48-N59 VanDerWaalsContact CZ-OD1 3.31Å; F48-N59 WeakPolarHBondContact CZ-OD1 3.38Å; F48-V97 CarbonylContact O-C 3.56Å; F48-V97 WeakPolarHBondContact O-CA 3.41Å; F48-V98 HydrophobicContact CB-CB 4.3Å; F48-V98 HydrophobicContact CD1-CG2 4.48Å; F48-V98 PolarHBondContact N-O 2.85Å; F48-V98 PolarHBondContact O-N 3.45Å; F48-L104 HydrophobicContact CB-CD2 4.33Å; F48-L104 HydrophobicContact CD1-CD1 4.36Å; F48-L104 HydrophobicContact CD1-CD2 4.23Å; F48-L104 HydrophobicContact CD2-CD1 3.81Å; F48-L104 HydrophobicContact CE1-CD1 4.21Å; F48-L104 HydrophobicContact CE2-CD1 3.64Å; F48-L104 HydrophobicContact CG-CD1 4.16Å; F48-L104 HydrophobicContact CG-CD2 4.13Å; F48-L104 HydrophobicContact CZ-CD1 3.84Å; F48-W171 HydrophobicContact CB-CE3 4.12Å; F48-W171 HydrophobicContact CB-CZ3 4.07Å; F48-W171 HydrophobicContact CD2-CB 4.16Å; F48-W171 HydrophobicContact CD2-CD2 4.25Å; F48-W171 HydrophobicContact CD2-CE3 4.03Å; F48-W171 HydrophobicContact CD2-CG 4.35Å; F48-W171 HydrophobicContact CE2-CB 4.23Å |
| 49 | I | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.1 | -174.6 | -53.6 | -178.5 | 0 | 0 | 0 | 108.8 | V47 I51 N59 C60 A61 V76 T78 I95 H96 V97 L136 | V47-I49 HydrophobicContact CG1-CG1 4.05Å; I49-I51 HydrophobicContact CB-CD1 4.47Å; I49-I51 HydrophobicContact CG2-CD1 3.76Å; I49-I51 HydrophobicContact CG2-CG1 4.13Å; I49-N59 VanDerWaalsContact O-CA 3.3Å; I49-N59 WeakPolarHBondContact O-CA 3.14Å; I49-C60 HydrophobicContact CB-CB 4.3Å; I49-C60 PolarHBondContact N-O 3.19Å; I49-C60 PolarHBondContact O-N 2.82Å; I49-A61 WeakPolarHBondContact CD1-O 3.47Å; I49-V76 HydrophobicContact CD1-CG1 4.41Å; I49-T78 HydrophobicContact CD1-CG2 3.89Å; I49-T78 WeakPolarHBondContact CD1-OG1 3.4Å; I49-I95 HydrophobicContact CG2-CG2 3.88Å; I49-H96 WeakPolarHBondContact CA-O 3.22Å; I49-V97 HydrophobicContact CG1-CG1 4.16Å; I49-V97 HydrophobicContact CG2-CG1 4.47Å; I49-L136 HydrophobicContact CD1-CD1 3.99Å |
| 50 | I | 95.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.8 | 177.4 | -57.9 | 164.3 | 0 | 0 | 0 | 107.5 | F48 L52 E57 H96 V98 | F48-I50 HydrophobicContact CD1-CD1 4.18Å; F48-I50 HydrophobicContact CD1-CG1 3.8Å; F48-I50 HydrophobicContact CE1-CD1 3.94Å; F48-I50 HydrophobicContact CE1-CG1 3.46Å; F48-I50 VanDerWaalsContact CE1-CG1 3.46Å; F48-I50 HydrophobicContact CZ-CG1 4.46Å; I50-L52 HydrophobicContact CG2-CD2 4.19Å; I50-E57 HydrophobicContact CG2-CG 3.65Å; I50-H96 HydrophobicContact CB-CB 4.42Å; I50-H96 PolarHBondContact N-O 3.41Å; I50-H96 PolarHBondContact O-N 2.82Å; I50-V98 HydrophobicContact CD1-CG2 4.25Å |
| 51 | I | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.8 | 176.7 | -55 | 98.3 | 0 | 0 | 0 | 109.2 | I49 K53 V58 C60 C82 Y90 K94 | I49-I51 HydrophobicContact CB-CD1 4.47Å; I49-I51 HydrophobicContact CG2-CD1 3.76Å; I49-I51 HydrophobicContact CG2-CG1 4.13Å; I51-K53 HydrophobicContact CG2-CG 4.22Å; I51-K53 PolarHBondContact O-N 2.96Å; I51-V58 WeakPolarHBondContact CD1-O 3.38Å; I51-V58 PolarHBondContact N-O 2.92Å; I51-V58 PolarHBondContact O-N 3.02Å; I51-C60 HydrophobicContact CD1-CB 4.11Å; I51-C82 HydrophobicContact CD1-CB 4.42Å; I51-Y90 HydrophobicContact CG2-CD2 3.9Å; I51-Y90 HydrophobicContact CG2-CE2 4.38Å; I51-K94 WeakPolarHBondContact CA-O 3Å |
| 52 | L | 90.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 92.7 | 176.4 | -56.1 | -179.5 | 0 | 0 | 0 | 109.7 | I50 E57 K94 | I50-L52 HydrophobicContact CG2-CD2 4.19Å; L52-E57 HydrophobicContact CD2-CG 4.4Å; L52-K94 HydrophobicContact CB-CB 4.33Å; L52-K94 PolarHBondContact N-O 3.47Å; L52-K94 WeakPolarHBondContact O-CB 3.27Å; L52-K94 VanDerWaalsContact O-CD 3.31Å; L52-K94 WeakPolarHBondContact O-CD 3.26Å |
| 53 | K | 85.6 | Confident | 93.2 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | trans | -80.2 | 174.1 | 169.3 | -51.7 | -171.8 | -165.1 | 162.8 | 0 | 109.6 | I51 E55 E56 V58 Y90 | I51-K53 HydrophobicContact CG2-CG 4.22Å; I51-K53 PolarHBondContact O-N 2.96Å; K53-E55 VanDerWaalsContact C-N 3.34Å; K53-E55 PolarHBondContact O-N 2.86Å; K53-E56 WeakPolarHBondContact CA-O 3.46Å; K53-E56 HydrophobicContact CB-CG 3.87Å; K53-E56 VanDerWaalsContact CB-O 3.28Å; K53-E56 WeakPolarHBondContact CB-O 3.43Å; K53-E56 HydrophobicContact CD-CG 3.94Å; K53-E56 VanDerWaalsContact CD-OE1 3.29Å; K53-E56 WeakPolarHBondContact CD-OE1 3.26Å; K53-E56 HydrophobicContact CG-CG 4.33Å; K53-E56 PolarHBondContact N-O 3.48Å; K53-E56 IonicContact NZ-OE1 2.99Å; K53-E56 PolarHBondContact NZ-OE1 2.89Å; K53-V58 HydrophobicContact CD-CG2 3.99Å; K53-V58 HydrophobicContact CG-CG2 4.48Å; K53-V58 VanDerWaalsContact NZ-CG2 3.35Å; K53-Y90 HydrophobicContact CD-CE2 4.29Å; K53-Y90 HydrophobicContact CG-CE1 4.38Å; K53-Y90 HydrophobicContact CG-CE2 4.29Å | ||
| 54 | E | 78 | Confident | 93.3 | Very high | 136 Ų | 136 | 38.4 Ų | 38.4 | 64% | 0.636 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -52.4 | -47.9 | -172.1 | -68.9 | 170.5 | -175.8 | 0 | 0 | 113.2 | K88 | E54-K88 IonicContact OE1-NZ 2.72Å; E54-K88 PolarHBondContact OE1-NZ 3.47Å |
| 55 | E | 77.3 | Confident | 93.3 | Very high | 195 Ų | 195 | 38.2 Ų | 38.2 | 91% | 0.911 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -123.8 | -1.7 | -177.8 | -61.3 | -176.5 | 175.1 | 0 | 0 | 113.4 | K53 | K53-E55 VanDerWaalsContact C-N 3.34Å; K53-E55 PolarHBondContact O-N 2.86Å |
| 56 | E | 85 | Confident | 93.1 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | trans | -136.8 | 139.9 | -175.9 | 62.6 | 173.5 | -160.3 | 0 | 0 | 112.1 | K53 V58 | K53-E56 WeakPolarHBondContact CA-O 3.46Å; K53-E56 HydrophobicContact CB-CG 3.87Å; K53-E56 VanDerWaalsContact CB-O 3.28Å; K53-E56 WeakPolarHBondContact CB-O 3.43Å; K53-E56 HydrophobicContact CD-CG 3.94Å; K53-E56 VanDerWaalsContact CD-OE1 3.29Å; K53-E56 WeakPolarHBondContact CD-OE1 3.26Å; K53-E56 HydrophobicContact CG-CG 4.33Å; K53-E56 PolarHBondContact N-O 3.48Å; K53-E56 IonicContact NZ-OE1 2.99Å; K53-E56 PolarHBondContact NZ-OE1 2.89Å; E56-V58 HydrophobicContact CG-CG2 3.91Å; E56-V58 WeakPolarHBondContact OE1-CG2 3.42Å | ||
| 57 | E | 86.7 | Confident | 92.8 | Very high | 116 Ų | 116 | 41 Ų | 41 | 54% | 0.542 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.8 | 161.3 | -175.4 | -175 | 110 | 0 | 0 | 108.2 | I50 L52 N59 | I50-E57 HydrophobicContact CG2-CG 3.65Å; L52-E57 HydrophobicContact CD2-CG 4.4Å; E57-N59 PolarHBondContact OE1-ND2 2.86Å |
| 58 | V | 91.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 44 Ų | 44 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | I51 K53 E56 | I51-V58 WeakPolarHBondContact CD1-O 3.38Å; I51-V58 PolarHBondContact N-O 2.92Å; I51-V58 PolarHBondContact O-N 3.02Å; K53-V58 HydrophobicContact CD-CG2 3.99Å; K53-V58 HydrophobicContact CG-CG2 4.48Å; K53-V58 VanDerWaalsContact NZ-CG2 3.35Å; E56-V58 HydrophobicContact CG-CG2 3.91Å; E56-V58 WeakPolarHBondContact OE1-CG2 3.42Å |
| 59 | N | 93.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.6 | -178.1 | -64.4 | -51.5 | 0 | 0 | 0 | 110.8 | F48 I49 E57 G220 | F48-N59 HydrophobicContact CE2-CB 3.82Å; F48-N59 HydrophobicContact CZ-CB 3.72Å; F48-N59 VanDerWaalsContact CZ-OD1 3.31Å; F48-N59 WeakPolarHBondContact CZ-OD1 3.38Å; I49-N59 VanDerWaalsContact O-CA 3.3Å; I49-N59 WeakPolarHBondContact O-CA 3.14Å; E57-N59 PolarHBondContact OE1-ND2 2.86Å; N59-G220 WeakPolarHBondContact O-CA 3.27Å |
| 60 | C | 97.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 171.9 | 170.5 | -82 | 0 | 0 | 0 | 0 | 109.8 | I49 I51 C82 G220 S222 | I49-C60 HydrophobicContact CB-CB 4.3Å; I49-C60 PolarHBondContact N-O 3.19Å; I49-C60 PolarHBondContact O-N 2.82Å; I51-C60 HydrophobicContact CD1-CB 4.11Å; C60-C82 HydrophobicContact CB-CB 3.8Å; C60-C82 WeakPolarHBondContact CB-SG 3.16Å; C60-C82 WeakPolarHBondContact SG-CB 3.48Å; C60-C82 CovalentContact SG-SG 2.03Å; C60-C82 PolarHBondContact SG-SG 3.24Å; C60-G220 CarbonylContact C-O 3.49Å; C60-G220 VanDerWaalsContact C-O 3.32Å; C60-G220 WeakPolarHBondContact CA-O 3.46Å; C60-S222 WeakPolarHBondContact CB-O 3.47Å |
| 61 | A | 97.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 164.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V47 I49 T78 G220 S222 G223 | V47-A61 CarbonylContact O-C 3.48Å; V47-A61 WeakPolarHBondContact O-CA 3.24Å; I49-A61 WeakPolarHBondContact CD1-O 3.47Å; A61-T78 PolarHBondContact O-OG1 2.79Å; A61-G220 PolarHBondContact N-O 2.89Å; A61-S222 CarbonylContact C-O 3.57Å; A61-S222 PolarHBondContact N-O 2.9Å; A61-G223 CarbonylContact O-C 3.59Å; A61-G223 VanDerWaalsContact O-C 3.3Å; A61-G223 WeakPolarHBondContact O-CA 2.81Å |
| 62 | G | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -175.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | V47 V77 | V47-G62 PolarHBondContact N-O 2.62Å; V47-G62 PolarHBondContact O-N 3.36Å; G62-V77 CarbonylContact C-O 3.59Å; G62-V77 WeakPolarHBondContact CA-O 3.38Å |
| 63 | F | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 140.1 | 175.8 | 52.3 | -83.6 | 0 | 0 | 0 | 113.1 | W45 V65 V76 V77 I151 G223 P225 A236 M260 | W45-F63 CarbonylContact O-C 3.57Å; W45-F63 WeakPolarHBondContact O-CA 3.39Å; F63-V65 HydrophobicContact CD2-CG1 3.73Å; F63-V65 HydrophobicContact CE2-CG1 3.85Å; F63-V76 WeakPolarHBondContact O-CA 3.32Å; F63-V77 HydrophobicContact CD1-CB 4.39Å; F63-V77 HydrophobicContact CD2-CB 4.07Å; F63-V77 HydrophobicContact CD2-CG2 4.47Å; F63-V77 HydrophobicContact CE1-CB 3.93Å; F63-V77 HydrophobicContact CE1-CG1 3.89Å; F63-V77 HydrophobicContact CE2-CB 3.57Å; F63-V77 HydrophobicContact CE2-CG1 4Å; F63-V77 HydrophobicContact CE2-CG2 3.91Å; F63-V77 HydrophobicContact CG-CB 4.47Å; F63-V77 HydrophobicContact CZ-CB 3.51Å; F63-V77 HydrophobicContact CZ-CG1 3.45Å; F63-V77 VanDerWaalsContact CZ-CG1 3.45Å; F63-V77 HydrophobicContact CZ-CG2 4.24Å; F63-V77 PolarHBondContact N-O 2.86Å; F63-V77 PolarHBondContact O-N 2.96Å; F63-I151 HydrophobicContact CB-CG2 4.27Å; F63-I151 HydrophobicContact CD2-CG2 3.54Å; F63-I151 HydrophobicContact CE2-CG2 4.29Å; F63-I151 HydrophobicContact CG-CG2 4.27Å; F63-G223 WeakPolarHBondContact CD1-O 3.02Å; F63-G223 WeakPolarHBondContact CE1-O 3.37Å; F63-P225 HydrophobicContact CB-CB 4.23Å; F63-P225 HydrophobicContact CB-CG 3.95Å; F63-P225 HydrophobicContact CD1-CB 3.57Å; F63-P225 HydrophobicContact CD1-CG 3.96Å; F63-P225 HydrophobicContact CD2-CB 4.47Å; F63-P225 HydrophobicContact CE1-CB 3.96Å; F63-P225 HydrophobicContact CG-CB 3.85Å; F63-P225 HydrophobicContact CG-CG 4.11Å; F63-A236 HydrophobicContact CD2-CB 3.96Å; F63-A236 HydrophobicContact CE2-CB 3.44Å; F63-A236 VanDerWaalsContact CE2-CB 3.44Å; F63-A236 HydrophobicContact CZ-CB 3.89Å; F63-M260 HydrophobicContact CE2-CE 4.04Å; F63-M260 HydrophobicContact CZ-CE 3.84Å; F63-M260 HydrophobicContact CZ-SD 4.3Å |
| 64 | L | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.3 | 175.9 | -170.9 | 73.6 | 0 | 0 | 0 | 109.7 | W45 V47 V76 L99 V142 Y144 V148 P150 I151 | W45-L64 PolarHBondContact O-N 3.18Å; V47-L64 HydrophobicContact CG2-CB 4.44Å; L64-V76 HydrophobicContact CD1-CG2 4.24Å; L64-L99 HydrophobicContact CB-CD2 4.17Å; L64-L99 HydrophobicContact CD1-CD2 4Å; L64-L99 HydrophobicContact CD2-CD2 4.26Å; L64-L99 HydrophobicContact CG-CD2 4.38Å; L64-V142 HydrophobicContact CD1-CG2 4.04Å; L64-V142 HydrophobicContact CD2-CG2 3.97Å; L64-Y144 HydrophobicContact CD2-CE1 4.37Å; L64-V148 HydrophobicContact CD2-CG1 3.86Å; L64-P150 HydrophobicContact CG-CB 4.44Å; L64-P150 VanDerWaalsContact O-CA 3.28Å; L64-P150 WeakPolarHBondContact O-CA 3.46Å; L64-I151 PolarHBondContact O-N 3.02Å |
| 65 | V | 98 | Very high | 93 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 156.8 | 173.5 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | F63 S67 S73 I75 V77 I151 L153 M271 | F63-V65 HydrophobicContact CD2-CG1 3.73Å; F63-V65 HydrophobicContact CE2-CG1 3.85Å; V65-S67 PolarHBondContact O-N 2.84Å; V65-S73 WeakPolarHBondContact O-CB 3.38Å; V65-S73 PolarHBondContact O-OG 3.18Å; V65-I75 HydrophobicContact CG2-CB 4.01Å; V65-I75 HydrophobicContact CG2-CG2 3.66Å; V65-I75 PolarHBondContact N-O 2.87Å; V65-I75 VanDerWaalsContact N-O 3.11Å; V65-V77 HydrophobicContact CG1-CG2 3.95Å; V65-V77 HydrophobicContact CG2-CG2 3.96Å; V65-I151 HydrophobicContact CG1-CG2 4.24Å; V65-L153 HydrophobicContact CB-CD2 4.39Å; V65-L153 HydrophobicContact CB-CG 4.47Å; V65-L153 HydrophobicContact CG1-CD2 3.83Å; V65-L153 HydrophobicContact CG1-CG 4.33Å; V65-M271 HydrophobicContact CB-CE 4.2Å; V65-M271 HydrophobicContact CG2-CE 3.34Å |
| 66 | D | 95 | Very high | 94 | Very high | 56 Ų | 56 | 39 Ų | 39 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | trans | -68.1 | 132.4 | 179.9 | -164 | -70 | 0 | 0 | 0 | 111 | G68 Y144 P150 M271 | D66-G68 VanDerWaalsContact OD1-CA 3.31Å; D66-G68 WeakPolarHBondContact OD1-CA 3.42Å; D66-G68 PolarHBondContact OD1-N 2.86Å; D66-Y144 VanDerWaalsContact CG-OH 3.3Å; D66-Y144 PolarHBondContact OD2-OH 3.1Å; D66-P150 HydrophobicContact CB-CB 4.25Å; D66-P150 HydrophobicContact CB-CG 4.15Å; D66-M271 WeakPolarHBondContact O-CE 3.23Å | ||
| 67 | S | 91.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | trans | -93.1 | -1.2 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | V65 S69 K275 | V65-S67 PolarHBondContact O-N 2.84Å; S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 WeakPolarHBondContact OG-CB 3.28Å; S67-S69 PolarHBondContact OG-N 3.25Å; S67-S69 PolarHBondContact OG-OG 2.81Å; S67-K275 VanDerWaalsContact O-CE 3.26Å; S67-K275 WeakPolarHBondContact O-CE 3.39Å; S67-K275 PolarHBondContact O-NZ 3.24Å | ||
| 68 | G | 88.2 | Confident | 95.2 | Very high | 64 Ų | 64 | 28.4 Ų | 28.4 | 66% | 0.66 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 77.8 | 15.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D66 | D66-G68 VanDerWaalsContact OD1-CA 3.31Å; D66-G68 WeakPolarHBondContact OD1-CA 3.42Å; D66-G68 PolarHBondContact OD1-N 2.86Å |
| 69 | S | 86.6 | Confident | 95.5 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 30% | 0.301 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -99.7 | 136.8 | 175.3 | -69.5 | 0 | 0 | 0 | 0 | 110.1 | S67 N71 Q72 | S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 WeakPolarHBondContact OG-CB 3.28Å; S67-S69 PolarHBondContact OG-N 3.25Å; S67-S69 PolarHBondContact OG-OG 2.81Å; S69-N71 PolarHBondContact O-N 3.47Å; S69-Q72 WeakPolarHBondContact CB-O 3.36Å; S69-Q72 VanDerWaalsContact O-O 3.12Å |
| 70 | E | 87.3 | Confident | 95.6 | Very high | 182 Ų | 182 | 25.1 Ų | 25.1 | 85% | 0.85 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 123 | -178.2 | -67.6 | -175.2 | 178.6 | 0 | 0 | 111.5 | Q72 | E70-Q72 PolarHBondContact O-N 2.72Å; E70-Q72 VanDerWaalsContact O-N 3.11Å |
| 71 | N | 93.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 27.2 Ų | 27.2 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 20.1 | 175 | -66.7 | -23.5 | 0 | 0 | 0 | 116.5 | S69 N143 Y144 | S69-N71 PolarHBondContact O-N 3.47Å; N71-N143 WeakPolarHBondContact O-CA 3.39Å; N71-Y144 PolarHBondContact O-N 3.23Å |
| 72 | Q | 95.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 27.4 Ų | 27.4 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 154.9 | 176.8 | 65.5 | -175.1 | -22.8 | 0 | 0 | 111.7 | S69 E70 P141 V142 Y144 | S69-Q72 WeakPolarHBondContact CB-O 3.36Å; S69-Q72 VanDerWaalsContact O-O 3.12Å; E70-Q72 PolarHBondContact O-N 2.72Å; E70-Q72 VanDerWaalsContact O-N 3.11Å; Q72-P141 HydrophobicContact CB-CB 4.14Å; Q72-P141 HydrophobicContact CG-CB 4.08Å; Q72-V142 CarbonylContact C-O 3.57Å; Q72-V142 WeakPolarHBondContact CA-O 3.3Å; Q72-V142 VanDerWaalsContact CB-O 3.29Å; Q72-V142 WeakPolarHBondContact CB-O 2.83Å; Q72-Y144 VanDerWaalsContact C-CE1 3.41Å; Q72-Y144 PolarHBondContact O-OH 2.91Å |
| 73 | S | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.9 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | V65 I75 P141 V142 | V65-S73 WeakPolarHBondContact O-CB 3.38Å; V65-S73 PolarHBondContact O-OG 3.18Å; S73-I75 PolarHBondContact OG-N 3.14Å; S73-P141 WeakPolarHBondContact O-CA 3.41Å; S73-V142 PolarHBondContact N-O 2.6Å; S73-V142 VanDerWaalsContact O-CG2 3.32Å; S73-V142 WeakPolarHBondContact O-CG2 3.44Å; S73-V142 PolarHBondContact O-N 3.41Å |
| 74 | D | 96.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 22.3 | 175.1 | 53 | 20.6 | 0 | 0 | 0 | 111.8 | K137 L138 P141 | D74-K137 HydrophobicContact CB-CD 4.49Å; D74-K137 VanDerWaalsContact CG-CE 3.46Å; D74-K137 WeakPolarHBondContact O-CA 3.39Å; D74-K137 IonicContact OD1-NZ 3.77Å; D74-K137 PolarHBondContact OD1-NZ 2.96Å; D74-K137 WeakPolarHBondContact OD2-CE 3.01Å; D74-K137 IonicContact OD2-NZ 3.98Å; D74-K137 PolarHBondContact OD2-NZ 3.38Å; D74-L138 HydrophobicContact CB-CB 4.03Å; D74-L138 HydrophobicContact CB-CG 4.49Å; D74-L138 PolarHBondContact O-N 3.37Å; D74-P141 HydrophobicContact CB-CB 4.17Å |
| 75 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.4 | 179.8 | -54 | -64.9 | 0 | 0 | 0 | 110.7 | V65 S73 L135 L136 K137 M271 | V65-I75 HydrophobicContact CG2-CB 4.01Å; V65-I75 HydrophobicContact CG2-CG2 3.66Å; V65-I75 PolarHBondContact N-O 2.87Å; V65-I75 VanDerWaalsContact N-O 3.11Å; S73-I75 PolarHBondContact OG-N 3.14Å; I75-L135 HydrophobicContact CG2-CD2 4.09Å; I75-L135 HydrophobicContact CG2-CG 4.03Å; I75-L136 WeakPolarHBondContact CA-O 3.37Å; I75-K137 HydrophobicContact CD1-CD 3.66Å; I75-M271 HydrophobicContact CB-CE 4.34Å; I75-M271 HydrophobicContact CG1-CG 4.21Å; I75-M271 HydrophobicContact CG2-CE 3.88Å; I75-M271 HydrophobicContact CG2-CG 4.19Å |
| 76 | V | 98.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.7 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | V47 I49 F63 L64 L136 L138 | V47-V76 HydrophobicContact CB-CG1 4.09Å; V47-V76 HydrophobicContact CG1-CG1 4.08Å; V47-V76 HydrophobicContact CG1-CG2 4.39Å; V47-V76 HydrophobicContact CG2-CG1 4Å; V47-V76 HydrophobicContact CG2-CG2 3.99Å; I49-V76 HydrophobicContact CD1-CG1 4.41Å; F63-V76 WeakPolarHBondContact O-CA 3.32Å; L64-V76 HydrophobicContact CD1-CG2 4.24Å; V76-L136 HydrophobicContact CB-CB 4.25Å; V76-L136 HydrophobicContact CB-CD1 4.46Å; V76-L136 HydrophobicContact CG1-CD1 4.35Å; V76-L136 PolarHBondContact N-O 3.16Å; V76-L136 VanDerWaalsContact N-O 3.1Å; V76-L136 PolarHBondContact O-N 2.89Å; V76-L138 HydrophobicContact CG2-CD1 4.24Å; V76-L138 HydrophobicContact CG2-CD2 4.1Å; V76-L138 HydrophobicContact CG2-CG 4.39Å |
| 77 | V | 98.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.2 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | G62 F63 V65 I133 T134 L135 M260 | G62-V77 CarbonylContact C-O 3.59Å; G62-V77 WeakPolarHBondContact CA-O 3.38Å; F63-V77 HydrophobicContact CD1-CB 4.39Å; F63-V77 HydrophobicContact CD2-CB 4.07Å; F63-V77 HydrophobicContact CD2-CG2 4.47Å; F63-V77 HydrophobicContact CE1-CB 3.93Å; F63-V77 HydrophobicContact CE1-CG1 3.89Å; F63-V77 HydrophobicContact CE2-CB 3.57Å; F63-V77 HydrophobicContact CE2-CG1 4Å; F63-V77 HydrophobicContact CE2-CG2 3.91Å; F63-V77 HydrophobicContact CG-CB 4.47Å; F63-V77 HydrophobicContact CZ-CB 3.51Å; F63-V77 HydrophobicContact CZ-CG1 3.45Å; F63-V77 VanDerWaalsContact CZ-CG1 3.45Å; F63-V77 HydrophobicContact CZ-CG2 4.24Å; F63-V77 PolarHBondContact N-O 2.86Å; F63-V77 PolarHBondContact O-N 2.96Å; V65-V77 HydrophobicContact CG1-CG2 3.95Å; V65-V77 HydrophobicContact CG2-CG2 3.96Å; V77-I133 HydrophobicContact CG1-CD1 4.08Å; V77-I133 HydrophobicContact CG1-CG1 4.01Å; V77-T134 WeakPolarHBondContact CA-O 3.3Å; V77-L135 HydrophobicContact CG2-CD1 4.04Å; V77-L135 HydrophobicContact CG2-CG 4.43Å; V77-M260 HydrophobicContact CG1-CE 4.04Å; V77-M260 HydrophobicContact CG1-SD 4.4Å; V77-M260 HydrophobicContact CG2-CE 4.42Å |
| 78 | T | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | -175.3 | 174.1 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | I49 A61 I133 T134 L136 | I49-T78 HydrophobicContact CD1-CG2 3.89Å; I49-T78 WeakPolarHBondContact CD1-OG1 3.4Å; A61-T78 PolarHBondContact O-OG1 2.79Å; T78-I133 WeakPolarHBondContact O-CA 3.33Å; T78-T134 PolarHBondContact N-O 3.41Å; T78-T134 PolarHBondContact O-N 3.22Å; T78-L136 HydrophobicContact CG2-CD1 4Å; T78-L136 HydrophobicContact CG2-CD2 4.34Å; T78-L136 HydrophobicContact CG2-CG 4.05Å |
| 79 | A | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -81.6 | 148.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C82 | A79-C82 WeakPolarHBondContact O-CB 3.2Š| ||
| 80 | A | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -74.3 | -31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C82 I83 S84 T121 Y124 D132 T134 | A80-C82 PolarHBondContact O-N 2.92Å; A80-I83 PolarHBondContact O-N 3.03Å; A80-I83 VanDerWaalsContact O-N 3.16Å; A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 PolarHBondContact O-OG 2.88Å; A80-T121 HydrophobicContact CB-CG2 4.23Å; A80-Y124 HydrophobicContact CB-CD1 3.82Å; A80-Y124 HydrophobicContact CB-CD2 3.75Å; A80-Y124 HydrophobicContact CB-CE1 4.39Å; A80-Y124 HydrophobicContact CB-CE2 4.31Å; A80-Y124 HydrophobicContact CB-CG 3.47Å; A80-Y124 VanDerWaalsContact CB-CG 3.47Å; A80-D132 WeakPolarHBondContact CA-OD1 3.26Å; A80-D132 PolarHBondContact N-OD1 2.58Å; A80-T134 WeakPolarHBondContact CA-OG1 3.21Å |
| 81 | H | 94.4 | Very high | 92.6 | Very high | 49 Ų | 49 | 24 Ų | 24 | 23% | 0.227 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.3 | 175.3 | 79.3 | -106.1 | 0 | 0 | 0 | 112.8 | I83 Y124 D132 S222 S241 | H81-I83 VanDerWaalsContact C-N 3.31Å; H81-I83 PolarHBondContact O-N 3.46Å; H81-Y124 VanDerWaalsContact CB-OH 3.25Å; H81-Y124 WeakPolarHBondContact CB-OH 3.4Å; H81-D132 IonicContact CE1-OD2 2.94Å; H81-D132 IonicContact CG-OD1 3.85Å; H81-D132 IonicContact CG-OD2 2.79Å; H81-D132 PolarHBondContact N-OD1 3.44Å; H81-D132 IonicContact ND1-OD1 2.6Å; H81-D132 PolarHBondContact ND1-OD1 3.46Å; H81-D132 IonicContact ND1-OD2 2.64Å; H81-D132 PolarHBondContact ND1-OD2 2.73Å; H81-S222 VanDerWaalsContact CE1-CB 3.41Å; H81-S222 WeakPolarHBondContact CE1-CB 3.27Å; H81-S222 PolarHBondContact CE1-OG 3.21Å; H81-S222 VanDerWaalsContact CE1-OG 3.23Å; H81-S222 WeakPolarHBondContact NE2-CB 3.16Å; H81-S222 PolarHBondContact NE2-OG 2.83Å; H81-S241 PolarHBondContact CE1-O 3.24Å |
| 82 | C | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.034 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.1 | 175.3 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | I51 C60 A79 A80 | I51-C82 HydrophobicContact CD1-CB 4.42Å; C60-C82 HydrophobicContact CB-CB 3.8Å; C60-C82 WeakPolarHBondContact CB-SG 3.16Å; C60-C82 WeakPolarHBondContact SG-CB 3.48Å; C60-C82 CovalentContact SG-SG 2.03Å; C60-C82 PolarHBondContact SG-SG 3.24Å; A79-C82 WeakPolarHBondContact O-CB 3.2Å; A80-C82 PolarHBondContact O-N 2.92Å |
| 83 | I | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -113.5 | 10.2 | -172.3 | 61.3 | 74.5 | 0 | 0 | 0 | 113.1 | A80 H81 Y89 Y90 I95 Y119 T121 T134 | A80-I83 PolarHBondContact O-N 3.03Å; A80-I83 VanDerWaalsContact O-N 3.16Å; H81-I83 VanDerWaalsContact C-N 3.31Å; H81-I83 PolarHBondContact O-N 3.46Å; I83-Y89 HydrophobicContact CD1-CD1 3.58Å; I83-Y89 HydrophobicContact CD1-CE1 3.94Å; I83-Y90 WeakPolarHBondContact O-CD2 3.33Å; I83-Y90 PolarHBondContact O-N 3.22Å; I83-I95 HydrophobicContact CB-CD1 3.98Å; I83-I95 HydrophobicContact CG2-CD1 3.6Å; I83-I95 HydrophobicContact CG2-CG1 4.27Å; I83-Y119 HydrophobicContact CD1-CD2 4.04Å; I83-Y119 HydrophobicContact CD1-CE2 3.63Å; I83-T121 HydrophobicContact CD1-CG2 3.89Å; I83-T134 HydrophobicContact CD1-CG2 4.42Å; I83-T134 HydrophobicContact CG1-CG2 4.06Å |
| 84 | S | 90 | Very high | 92.2 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.4 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | A80 K88 Y124 | A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 PolarHBondContact O-OG 2.88Å; S84-K88 CarbonylContact C-O 3.51Å; S84-K88 WeakPolarHBondContact CA-O 3.33Å; S84-Y124 WeakPolarHBondContact OG-CE1 3.38Å |
| 85 | S | 87.2 | Confident | 92.2 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 175.5 | 166.1 | 65.3 | 0 | 0 | 0 | 0 | 107.5 | T87 K88 L317 | S85-T87 PolarHBondContact O-N 3.37Å; S85-T87 PolarHBondContact OG-N 2.79Å; S85-K88 PolarHBondContact N-O 3.1Å; S85-K88 PolarHBondContact O-N 2.86Å; S85-K88 VanDerWaalsContact OG-CG 3.27Å; S85-K88 WeakPolarHBondContact OG-CG 3.31Å; S85-K88 PolarHBondContact OG-N 2.94Å; S85-K88 VanDerWaalsContact OG-N 3.15Å; S85-K88 PolarHBondContact OG-O 2.84Å; S85-L317 WeakPolarHBondContact O-CD1 3.44Å |
| 86 | R | 82 | Confident | 92.1 | Very high | 130 Ų | 130 | 22.2 Ų | 22.2 | 49% | 0.491 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 177.4 | -166.5 | 156.9 | 55.4 | 88.8 | 1.3 | 114.2 | Y126 | R86-Y126 HydrophobicContact CB-CD1 3.73Å; R86-Y126 HydrophobicContact CB-CE1 3.66Å; R86-Y126 HydrophobicContact CB-CE2 4.45Å; R86-Y126 HydrophobicContact CB-CG 4.19Å; R86-Y126 HydrophobicContact CG-CD1 3.76Å; R86-Y126 HydrophobicContact CG-CE1 4.02Å; R86-Y126 HydrophobicContact CG-CG 4.41Å |
| 87 | T | 80.1 | Confident | 92 | Very high | 67 Ų | 67 | 22.2 Ų | 22.2 | 41% | 0.411 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -8.5 | -173 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | S85 I320 | S85-T87 PolarHBondContact O-N 3.37Å; S85-T87 PolarHBondContact OG-N 2.79Å; T87-I320 VanDerWaalsContact O-CD1 3.29Å; T87-I320 WeakPolarHBondContact O-CD1 3.39Å |
| 88 | K | 85.2 | Confident | 92 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 160.9 | -179.6 | 64.2 | 170.7 | 172.3 | -174.7 | 0 | 113.6 | E54 S84 S85 Y90 D287 | E54-K88 IonicContact OE1-NZ 2.72Å; E54-K88 PolarHBondContact OE1-NZ 3.47Å; S84-K88 CarbonylContact C-O 3.51Å; S84-K88 WeakPolarHBondContact CA-O 3.33Å; S85-K88 PolarHBondContact N-O 3.1Å; S85-K88 PolarHBondContact O-N 2.86Å; S85-K88 VanDerWaalsContact OG-CG 3.27Å; S85-K88 WeakPolarHBondContact OG-CG 3.31Å; S85-K88 PolarHBondContact OG-N 2.94Å; S85-K88 VanDerWaalsContact OG-N 3.15Å; S85-K88 PolarHBondContact OG-O 2.84Å; K88-Y90 HydrophobicContact CG-CE1 4.48Å; K88-D287 HydrophobicContact CD-CB 4.3Å; K88-D287 IonicContact NZ-OD2 3.91Å; K88-D287 PolarHBondContact NZ-OD2 2.91Å |
| 89 | Y | 87.9 | Confident | 91.9 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.5 | 164.5 | -75.3 | -97.1 | 0 | 0 | 0 | 109.1 | I83 Y119 T121 L317 I320 A321 Y326 | I83-Y89 HydrophobicContact CD1-CD1 3.58Å; I83-Y89 HydrophobicContact CD1-CE1 3.94Å; Y89-Y119 WeakPolarHBondContact CB-OH 3.41Å; Y89-Y119 HydrophobicContact CD1-CE2 4.12Å; Y89-T121 HydrophobicContact CD1-CG2 4.5Å; Y89-T121 HydrophobicContact CE1-CG2 3.83Å; Y89-L317 HydrophobicContact CD2-CD1 4.09Å; Y89-L317 HydrophobicContact CE2-CD1 3.51Å; Y89-L317 HydrophobicContact CE2-CG 3.87Å; Y89-I320 HydrophobicContact CD2-CG2 4.21Å; Y89-A321 HydrophobicContact CD2-CB 4.21Å; Y89-A321 HydrophobicContact CE2-CB 3.48Å; Y89-A321 VanDerWaalsContact CE2-CB 3.48Å; Y89-Y326 HydrophobicContact CD1-CD2 4.39Å; Y89-Y326 AromaticContact CG-CD2 3.99Å; Y89-Y326 HydrophobicContact CG-CD2 3.99Å |
| 90 | Y | 89.5 | Confident | 91.8 | Very high | 19 Ų | 19 | 23.3 Ų | 23.3 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 140.3 | -178.1 | -53.8 | -57.2 | 0 | 0 | 0 | 111.3 | I51 K53 I83 K88 Y119 | I51-Y90 HydrophobicContact CG2-CD2 3.9Å; I51-Y90 HydrophobicContact CG2-CE2 4.38Å; K53-Y90 HydrophobicContact CD-CE2 4.29Å; K53-Y90 HydrophobicContact CG-CE1 4.38Å; K53-Y90 HydrophobicContact CG-CE2 4.29Å; I83-Y90 WeakPolarHBondContact O-CD2 3.33Å; I83-Y90 PolarHBondContact O-N 3.22Å; K88-Y90 HydrophobicContact CG-CE1 4.48Å; Y90-Y119 WeakPolarHBondContact O-CE1 3.26Å; Y90-Y119 PolarHBondContact O-OH 3.43Å |
| 91 | S | 90.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 139.3 | 175 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | S93 K94 | S91-S93 WeakPolarHBondContact CB-OG 3.42Å; S91-S93 PolarHBondContact O-N 3.28Å; S91-S93 PolarHBondContact OG-N 3.28Å; S91-S93 PolarHBondContact OG-OG 2.9Å; S91-K94 WeakPolarHBondContact O-CB 3.36Å; S91-K94 PolarHBondContact O-N 2.83Å |
| 92 | P | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -52 | -27.6 | 174 | -28.6 | 34.5 | 0 | 0 | 0 | 114.4 | K94 I95 V116 Y119 R280 Y326 | P92-K94 PolarHBondContact O-N 2.68Å; P92-I95 PolarHBondContact O-N 3.1Å; P92-I95 VanDerWaalsContact O-N 3.14Å; P92-V116 HydrophobicContact CB-CB 4.47Å; P92-V116 HydrophobicContact CB-CG1 4.18Å; P92-V116 WeakPolarHBondContact CB-O 3.17Å; P92-Y119 HydrophobicContact CB-CD1 4.46Å; P92-Y119 HydrophobicContact CB-CE1 4.49Å; P92-Y119 HydrophobicContact CG-CD1 3.94Å; P92-Y119 HydrophobicContact CG-CE1 3.75Å; P92-R280 HydrophobicContact CG-CB 4.03Å; P92-Y326 WeakPolarHBondContact CD-OH 3.09Å; P92-Y326 HydrophobicContact CG-CE1 4.29Å |
| 93 | S | 91.7 | Very high | 91.6 | Very high | 57 Ų | 57 | 24 Ų | 24 | 40% | 0.399 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -62.8 | -20.7 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 114 | S91 H96 | S91-S93 WeakPolarHBondContact CB-OG 3.42Å; S91-S93 PolarHBondContact O-N 3.28Å; S91-S93 PolarHBondContact OG-N 3.28Å; S91-S93 PolarHBondContact OG-OG 2.9Å; S93-H96 PolarHBondContact O-NE2 3.3Å |
| 94 | K | 93.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 25.9 Ų | 25.9 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -89.5 | -2.8 | 178.5 | -66.9 | 177.9 | 164.9 | -172.8 | 0 | 113.2 | I51 L52 S91 P92 D287 | I51-K94 WeakPolarHBondContact CA-O 3Å; L52-K94 HydrophobicContact CB-CB 4.33Å; L52-K94 PolarHBondContact N-O 3.47Å; L52-K94 WeakPolarHBondContact O-CB 3.27Å; L52-K94 VanDerWaalsContact O-CD 3.31Å; L52-K94 WeakPolarHBondContact O-CD 3.26Å; S91-K94 WeakPolarHBondContact O-CB 3.36Å; S91-K94 PolarHBondContact O-N 2.83Å; P92-K94 PolarHBondContact O-N 2.68Å; K94-D287 IonicContact NZ-OD1 2.59Å; K94-D287 IonicContact NZ-OD2 3.8Å; K94-D287 PolarHBondContact NZ-OD2 2.88Å |
| 95 | I | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.1 | -172.1 | -49.6 | 166.5 | 0 | 0 | 0 | 108.8 | I49 I83 P92 V116 Y119 L136 | I49-I95 HydrophobicContact CG2-CG2 3.88Å; I83-I95 HydrophobicContact CB-CD1 3.98Å; I83-I95 HydrophobicContact CG2-CD1 3.6Å; I83-I95 HydrophobicContact CG2-CG1 4.27Å; P92-I95 PolarHBondContact O-N 3.1Å; P92-I95 VanDerWaalsContact O-N 3.14Å; I95-V116 HydrophobicContact CB-CB 4.14Å; I95-V116 HydrophobicContact CB-CG2 3.85Å; I95-V116 HydrophobicContact CG2-CB 4.43Å; I95-V116 HydrophobicContact CG2-CG2 3.63Å; I95-V116 WeakPolarHBondContact O-CG2 3.22Å; I95-V116 PolarHBondContact O-N 3.04Å; I95-Y119 HydrophobicContact CD1-CD1 3.9Å; I95-Y119 HydrophobicContact CD1-CE1 3.79Å; I95-L136 HydrophobicContact CG2-CD1 4.34Å |
| 96 | H | 96 | Very high | 91.1 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150 | 179.3 | -53.4 | -73.7 | 0 | 0 | 0 | 110.1 | I49 I50 S93 Y113 | I49-H96 WeakPolarHBondContact CA-O 3.22Å; I50-H96 HydrophobicContact CB-CB 4.42Å; I50-H96 PolarHBondContact N-O 3.41Å; I50-H96 PolarHBondContact O-N 2.82Å; S93-H96 PolarHBondContact O-NE2 3.3Å; H96-Y113 HydrophobicContact CB-CE2 3.59Å; H96-Y113 PolarHBondContact CE1-OH 3.44Å; H96-Y113 VanDerWaalsContact CE1-OH 3.24Å; H96-Y113 AromaticContact CG-CZ 3.71Å; H96-Y113 AromaticContact ND1-CZ 3.54Å; H96-Y113 PolarHBondContact ND1-OH 2.77Å |
| 97 | V | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.9 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | V47 F48 I49 L99 Y113 R114 V116 L136 L138 | V47-V97 HydrophobicContact CG1-CB 3.62Å; V47-V97 HydrophobicContact CG1-CG1 4.01Å; V47-V97 HydrophobicContact CG1-CG2 4.44Å; F48-V97 CarbonylContact O-C 3.56Å; F48-V97 WeakPolarHBondContact O-CA 3.41Å; I49-V97 HydrophobicContact CG1-CG1 4.16Å; I49-V97 HydrophobicContact CG2-CG1 4.47Å; V97-L99 HydrophobicContact CB-CD1 4.45Å; V97-L99 HydrophobicContact CG2-CD1 3.72Å; V97-Y113 WeakPolarHBondContact O-CA 3.3Å; V97-R114 HydrophobicContact CG2-CB 3.74Å; V97-R114 PolarHBondContact N-O 2.83Å; V97-R114 PolarHBondContact O-N 2.96Å; V97-V116 HydrophobicContact CG1-CG2 4.37Å; V97-L136 HydrophobicContact CG1-CD1 4.19Å; V97-L138 HydrophobicContact CG1-CD2 4.26Å; V97-L138 HydrophobicContact CG2-CD1 4.15Å; V97-L138 HydrophobicContact CG2-CD2 3.52Å; V97-L138 HydrophobicContact CG2-CG 4.48Å |
| 98 | V | 97 | Very high | 91.5 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.5 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | F48 I50 A101 M111 V112 Y113 | F48-V98 HydrophobicContact CB-CB 4.3Å; F48-V98 HydrophobicContact CD1-CG2 4.48Å; F48-V98 PolarHBondContact N-O 2.85Å; F48-V98 PolarHBondContact O-N 3.45Å; I50-V98 HydrophobicContact CD1-CG2 4.25Å; V98-A101 HydrophobicContact CG1-CB 4.14Å; V98-M111 HydrophobicContact CG1-CB 4.48Å; V98-M111 HydrophobicContact CG1-CG 4.34Å; V98-M111 HydrophobicContact CG1-SD 4.32Å; V98-V112 WeakPolarHBondContact CA-O 3.39Å; V98-Y113 HydrophobicContact CG2-CD2 4.25Å |
| 99 | L | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 159.9 | 175.8 | -59.5 | 100.1 | 0 | 0 | 0 | 110.1 | V47 L64 V97 A101 M111 V112 L138 V142 V148 | V47-L99 HydrophobicContact CG1-CG 4.24Å; V47-L99 HydrophobicContact CG2-CD2 3.61Å; V47-L99 HydrophobicContact CG2-CG 3.92Å; L64-L99 HydrophobicContact CB-CD2 4.17Å; L64-L99 HydrophobicContact CD1-CD2 4Å; L64-L99 HydrophobicContact CD2-CD2 4.26Å; L64-L99 HydrophobicContact CG-CD2 4.38Å; V97-L99 HydrophobicContact CB-CD1 4.45Å; V97-L99 HydrophobicContact CG2-CD1 3.72Å; L99-A101 PolarHBondContact O-N 3.07Å; L99-M111 CarbonylContact O-C 3.52Å; L99-M111 WeakPolarHBondContact O-CA 3.37Å; L99-V112 PolarHBondContact N-O 2.97Å; L99-V112 PolarHBondContact O-N 3.38Å; L99-L138 HydrophobicContact CD1-CD1 4.28Å; L99-V142 HydrophobicContact CD1-CG1 4.2Å; L99-V142 HydrophobicContact CD2-CG2 4.17Å; L99-V148 HydrophobicContact CB-CG1 4.38Å; L99-V148 HydrophobicContact CB-CG2 4.16Å; L99-V148 HydrophobicContact CD2-CG1 4.28Å |
| 100 | G | 95.8 | Very high | 92 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 72.7 | 16.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 101 | A | 94.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | trans | -92.3 | 137.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | V98 L99 L104 E108 M111 W171 | V98-A101 HydrophobicContact CG1-CB 4.14Å; L99-A101 PolarHBondContact O-N 3.07Å; A101-L104 HydrophobicContact CB-CD2 4.1Å; A101-E108 VanDerWaalsContact CA-OE2 3.32Å; A101-E108 WeakPolarHBondContact CA-OE2 3.48Å; A101-M111 HydrophobicContact CB-CE 3.56Å; A101-M111 HydrophobicContact CB-CG 4.02Å; A101-M111 HydrophobicContact CB-SD 4.31Å; A101-W171 HydrophobicContact CB-CZ2 4.36Å; A101-W171 WeakPolarHBondContact O-CZ2 2.87Å | ||
| 102 | H | 94.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -106.2 | -48.9 | 158.2 | 178.3 | 71.2 | 0 | 0 | 0 | 110.3 | E37 A38 E108 W171 V182 L183 | E37-H102 IonicContact OE1-CD2 3.46Å; E37-H102 IonicContact OE1-CE1 3.63Å; E37-H102 IonicContact OE1-NE2 3.92Å; E37-H102 PolarHBondContact OE1-NE2 3.24Å; A38-H102 PolarHBondContact O-CE1 3.28Å; H102-E108 PolarHBondContact N-OE2 3.33Å; H102-W171 PolarHBondContact O-NE1 3Å; H102-V182 CarbonylContact O-C 3.47Å; H102-V182 WeakPolarHBondContact O-CA 3.5Å; H102-L183 PolarHBondContact O-N 3.2Å |
| 103 | E | 92.2 | Very high | 92.4 | Very high | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.229 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 124.2 | 178.3 | -174.6 | 178.6 | -165.2 | 0 | 0 | 111.9 | R105 E108 M111 M181 V182 | E103-R105 VanDerWaalsContact C-N 3.35Å; E103-R105 HydrophobicContact CG-CB 4.02Å; E103-R105 PolarHBondContact O-N 2.86Å; E103-R105 IonicContact OE1-NH1 3.93Å; E103-E108 PolarHBondContact N-OE1 3.29Å; E103-E108 PolarHBondContact N-OE2 2.91Å; E103-M111 WeakPolarHBondContact O-CE 3.29Å; E103-M181 CarbonylContact C-O 3.56Å; E103-M181 VanDerWaalsContact CA-O 3.23Å; E103-M181 WeakPolarHBondContact CA-O 3.31Å; E103-M181 WeakPolarHBondContact CG-O 3.31Å; E103-V182 HydrophobicContact CB-CG1 4.22Å; E103-V182 HydrophobicContact CG-CG1 3.99Å |
| 104 | L | 89.1 | Confident | 92.7 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -80 | -11.2 | -178 | -59.7 | 179.2 | 0 | 0 | 0 | 114.4 | F48 A101 W171 M181 | F48-L104 HydrophobicContact CB-CD2 4.33Å; F48-L104 HydrophobicContact CD1-CD1 4.36Å; F48-L104 HydrophobicContact CD1-CD2 4.23Å; F48-L104 HydrophobicContact CD2-CD1 3.81Å; F48-L104 HydrophobicContact CE1-CD1 4.21Å; F48-L104 HydrophobicContact CE2-CD1 3.64Å; F48-L104 HydrophobicContact CG-CD1 4.16Å; F48-L104 HydrophobicContact CG-CD2 4.13Å; F48-L104 HydrophobicContact CZ-CD1 3.84Å; A101-L104 HydrophobicContact CB-CD2 4.1Å; L104-W171 HydrophobicContact CD1-CB 3.88Å; L104-W171 HydrophobicContact CD1-CD2 4.36Å; L104-W171 HydrophobicContact CD1-CG 3.67Å; L104-W171 HydrophobicContact CG-CG 4.2Å; L104-M181 HydrophobicContact CB-CE 4.49Å; L104-M181 PolarHBondContact N-O 3.15Å |
| 105 | R | 85.8 | Confident | 92.8 | Very high | 155 Ų | 155 | 50.7 Ų | 50.7 | 59% | 0.585 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -73.3 | -39.7 | -174.3 | -171.3 | 177.1 | -66 | 159.1 | 1.5 | 112.8 | E103 M181 | E103-R105 VanDerWaalsContact C-N 3.35Å; E103-R105 HydrophobicContact CG-CB 4.02Å; E103-R105 PolarHBondContact O-N 2.86Å; E103-R105 IonicContact OE1-NH1 3.93Å; R105-M181 VanDerWaalsContact CA-CE 3.43Å; R105-M181 HydrophobicContact CB-CE 3.55Å; R105-M181 HydrophobicContact CG-CE 4.01Å |
| 106 | N | 83.6 | Confident | 92.8 | Very high | 94 Ų | 94 | 50.7 Ų | 50.7 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -118.4 | 142.4 | -176.1 | -60.4 | -54.8 | 0 | 0 | 0 | 108.5 | E108 M111 | N106-E108 PolarHBondContact O-N 2.91Å; N106-M111 WeakPolarHBondContact O-CE 3.11Å |
| 107 | I | 84.3 | Confident | 92.7 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 81% | 0.81 | 26% | 0.261 | S | S | * | . | trans | -67.1 | 108.3 | 173 | -60.2 | 174.6 | 0 | 0 | 0 | 107.8 | ||||
| 108 | E | 87.2 | Confident | 92.5 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | trans | -79.4 | 143.8 | 173.6 | -61 | 170.3 | 128.9 | 0 | 0 | 109.5 | A101 H102 E103 N106 A110 M111 | A101-E108 VanDerWaalsContact CA-OE2 3.32Å; A101-E108 WeakPolarHBondContact CA-OE2 3.48Å; H102-E108 PolarHBondContact N-OE2 3.33Å; E103-E108 PolarHBondContact N-OE1 3.29Å; E103-E108 PolarHBondContact N-OE2 2.91Å; N106-E108 PolarHBondContact O-N 2.91Å; E108-A110 PolarHBondContact O-N 3.03Å; E108-M111 HydrophobicContact CB-CE 4.12Å; E108-M111 HydrophobicContact CB-CG 4.01Å; E108-M111 HydrophobicContact CG-CE 3.89Å; E108-M111 WeakPolarHBondContact O-CB 3.5Å; E108-M111 PolarHBondContact O-N 3.46Å; E108-M111 WeakPolarHBondContact OE2-CE 3.28Å | ||
| 109 | P | 89.4 | Confident | 92.4 | Very high | 143 Ų | 143 | 51 Ų | 51 | 93% | 0.929 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.2 | 178.9 | -27.9 | 35.3 | 0 | 0 | 0 | 114.8 | ||
| 110 | A | 92.5 | Very high | 92.2 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E108 V112 E147 | E108-A110 PolarHBondContact O-N 3.03Å; A110-V112 PolarHBondContact O-N 3.25Å; A110-E147 HydrophobicContact CB-CB 3.74Å; A110-E147 HydrophobicContact CB-CG 3.57Å |
| 111 | M | 93.7 | Very high | 92.1 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | trans | -66.2 | 133.2 | -179.4 | -75.1 | -173.4 | -175.7 | 0 | 0 | 111.6 | V98 L99 A101 E103 N106 E108 | V98-M111 HydrophobicContact CG1-CB 4.48Å; V98-M111 HydrophobicContact CG1-CG 4.34Å; V98-M111 HydrophobicContact CG1-SD 4.32Å; L99-M111 CarbonylContact O-C 3.52Å; L99-M111 WeakPolarHBondContact O-CA 3.37Å; A101-M111 HydrophobicContact CB-CE 3.56Å; A101-M111 HydrophobicContact CB-CG 4.02Å; A101-M111 HydrophobicContact CB-SD 4.31Å; E103-M111 WeakPolarHBondContact O-CE 3.29Å; N106-M111 WeakPolarHBondContact O-CE 3.11Å; E108-M111 HydrophobicContact CB-CE 4.12Å; E108-M111 HydrophobicContact CB-CG 4.01Å; E108-M111 HydrophobicContact CG-CE 3.89Å; E108-M111 WeakPolarHBondContact O-CB 3.5Å; E108-M111 PolarHBondContact O-N 3.46Å; E108-M111 WeakPolarHBondContact OE2-CE 3.28Å | ||
| 112 | V | 93.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.218 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.9 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | V98 L99 A110 R114 V142 | V98-V112 WeakPolarHBondContact CA-O 3.39Å; L99-V112 PolarHBondContact N-O 2.97Å; L99-V112 PolarHBondContact O-N 3.38Å; A110-V112 PolarHBondContact O-N 3.25Å; V112-R114 HydrophobicContact CG1-CG 4.4Å; V112-V142 HydrophobicContact CB-CG1 4.5Å; V112-V142 HydrophobicContact CG1-CG1 3.77Å |
| 113 | Y | 94.9 | Very high | 91.4 | Very high | 129 Ų | 129 | 54.1 Ų | 54.1 | 51% | 0.506 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.7 | 173.3 | 179.2 | -92.5 | 0 | 0 | 0 | 111.1 | H96 V97 V98 | H96-Y113 HydrophobicContact CB-CE2 3.59Å; H96-Y113 PolarHBondContact CE1-OH 3.44Å; H96-Y113 VanDerWaalsContact CE1-OH 3.24Å; H96-Y113 AromaticContact CG-CZ 3.71Å; H96-Y113 AromaticContact ND1-CZ 3.54Å; H96-Y113 PolarHBondContact ND1-OH 2.77Å; V97-Y113 WeakPolarHBondContact O-CA 3.3Å; V98-Y113 HydrophobicContact CG2-CD2 4.25Å |
| 114 | R | 96.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.1 | 172.8 | -65.8 | -66.8 | -177.8 | -95.3 | 2.4 | 111 | V97 V112 L138 S140 P141 V142 | V97-R114 HydrophobicContact CG2-CB 3.74Å; V97-R114 PolarHBondContact N-O 2.83Å; V97-R114 PolarHBondContact O-N 2.96Å; V112-R114 HydrophobicContact CG1-CG 4.4Å; R114-L138 HydrophobicContact CB-CB 4.33Å; R114-L138 HydrophobicContact CB-CD1 4.17Å; R114-L138 HydrophobicContact CB-CD2 4.49Å; R114-L138 HydrophobicContact CG-CD1 4.14Å; R114-S140 VanDerWaalsContact CD-OG 3.29Å; R114-S140 WeakPolarHBondContact CD-OG 3.48Å; R114-S140 PolarHBondContact NE-O 2.95Å; R114-S140 PolarHBondContact NE-OG 2.92Å; R114-P141 PolarHBondContact NH2-O 2.78Å; R114-V142 HydrophobicContact CG-CG1 3.92Å |
| 115 | G | 95.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 165.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T139 | G115-T139 PolarHBondContact N-OG1 3.32Å; G115-T139 WeakPolarHBondContact O-CG2 2.99Å; G115-T139 PolarHBondContact O-N 2.9Å; G115-T139 PolarHBondContact O-OG1 3.49Å |
| 116 | V | 96.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.3 | 173.6 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | P92 I95 V97 N118 Y119 L136 L138 S281 | P92-V116 HydrophobicContact CB-CB 4.47Å; P92-V116 HydrophobicContact CB-CG1 4.18Å; P92-V116 WeakPolarHBondContact CB-O 3.17Å; I95-V116 HydrophobicContact CB-CB 4.14Å; I95-V116 HydrophobicContact CB-CG2 3.85Å; I95-V116 HydrophobicContact CG2-CB 4.43Å; I95-V116 HydrophobicContact CG2-CG2 3.63Å; I95-V116 WeakPolarHBondContact O-CG2 3.22Å; I95-V116 PolarHBondContact O-N 3.04Å; V97-V116 HydrophobicContact CG1-CG2 4.37Å; V116-N118 VanDerWaalsContact CG1-O 3.24Å; V116-N118 WeakPolarHBondContact CG1-O 3.17Å; V116-Y119 HydrophobicContact CG1-CD1 4.46Å; V116-L136 HydrophobicContact CG1-CB 4.29Å; V116-L136 HydrophobicContact CG1-CD2 4.32Å; V116-L136 HydrophobicContact CG2-CB 4.31Å; V116-L136 HydrophobicContact CG2-CD1 4.16Å; V116-L138 HydrophobicContact CG2-CD2 4.49Å; V116-S281 WeakPolarHBondContact O-CB 3.39Å; V116-S281 PolarHBondContact O-OG 3.07Å |
| 117 | K | 93.7 | Very high | 90.9 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -46 | 175.8 | 172.7 | 172.8 | 176.8 | -172.3 | 0 | 111.3 | K137 T139 S277 H279 R280 S281 | K117-K137 HydrophobicContact CB-CG 4.26Å; K117-K137 WeakPolarHBondContact CB-O 3.43Å; K117-K137 HydrophobicContact CD-CG 4.36Å; K117-K137 PolarHBondContact N-O 2.88Å; K117-T139 HydrophobicContact CB-CG2 4.46Å; K117-S277 WeakPolarHBondContact CE-O 3.43Å; K117-S277 PolarHBondContact NZ-O 3.27Å; K117-H279 HydrophobicContact CG-CB 4.19Å; K117-H279 VanDerWaalsContact CG-CD2 3.5Å; K117-H279 WeakPolarHBondContact CG-CD2 3.23Å; K117-R280 PolarHBondContact O-N 3.29Å; K117-S281 PolarHBondContact O-N 2.87Å |
| 118 | N | 94.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 170 | -177.4 | -156.6 | -7.4 | 0 | 0 | 0 | 109.5 | V116 K137 L274 S277 R280 | V116-N118 VanDerWaalsContact CG1-O 3.24Å; V116-N118 WeakPolarHBondContact CG1-O 3.17Å; N118-K137 PolarHBondContact N-O 2.95Å; N118-K137 WeakPolarHBondContact O-CB 3.23Å; N118-K137 PolarHBondContact O-N 2.84Å; N118-L274 HydrophobicContact CB-CD2 4.33Å; N118-S277 WeakPolarHBondContact ND2-CB 3.37Å; N118-S277 PolarHBondContact ND2-OG 2.85Å; N118-R280 WeakPolarHBondContact OD1-CD 3.49Å |
| 119 | Y | 95.5 | Very high | 91 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 167.2 | 172.3 | 61.9 | -100.6 | 0 | 0 | 0 | 111.7 | I83 Y89 Y90 P92 I95 V116 T121 T134 L135 L136 Y326 | I83-Y119 HydrophobicContact CD1-CD2 4.04Å; I83-Y119 HydrophobicContact CD1-CE2 3.63Å; Y89-Y119 WeakPolarHBondContact CB-OH 3.41Å; Y89-Y119 HydrophobicContact CD1-CE2 4.12Å; Y90-Y119 WeakPolarHBondContact O-CE1 3.26Å; Y90-Y119 PolarHBondContact O-OH 3.43Å; P92-Y119 HydrophobicContact CB-CD1 4.46Å; P92-Y119 HydrophobicContact CB-CE1 4.49Å; P92-Y119 HydrophobicContact CG-CD1 3.94Å; P92-Y119 HydrophobicContact CG-CE1 3.75Å; I95-Y119 HydrophobicContact CD1-CD1 3.9Å; I95-Y119 HydrophobicContact CD1-CE1 3.79Å; V116-Y119 HydrophobicContact CG1-CD1 4.46Å; Y119-T121 HydrophobicContact CD2-CG2 4.31Å; Y119-T121 HydrophobicContact CE2-CG2 4.49Å; Y119-T134 HydrophobicContact CD2-CG2 4.04Å; Y119-T134 HydrophobicContact CG-CG2 4.19Å; Y119-L135 CarbonylContact C-O 3.56Å; Y119-L135 WeakPolarHBondContact CA-O 3.34Å; Y119-L135 WeakPolarHBondContact CB-O 3.28Å; Y119-L136 HydrophobicContact CD1-CD2 4.46Å; Y119-L136 HydrophobicContact CG-CD2 4.24Å; Y119-Y326 AromaticContact CD2-CD1 3.97Å; Y119-Y326 HydrophobicContact CD2-CD1 3.97Å; Y119-Y326 HydrophobicContact CD2-CG 4.2Å; Y119-Y326 HydrophobicContact CE1-CD1 4.28Å; Y119-Y326 AromaticContact CE1-CE1 3.98Å; Y119-Y326 HydrophobicContact CE1-CE1 3.98Å; Y119-Y326 AromaticContact CE2-CD1 3.46Å; Y119-Y326 HydrophobicContact CE2-CD1 3.46Å; Y119-Y326 VanDerWaalsContact CE2-CD1 3.46Å; Y119-Y326 AromaticContact CE2-CD2 3.84Å; Y119-Y326 HydrophobicContact CE2-CD2 3.84Å; Y119-Y326 AromaticContact CE2-CE1 3.97Å; Y119-Y326 HydrophobicContact CE2-CE1 3.97Å; Y119-Y326 HydrophobicContact CE2-CE2 4.31Å; Y119-Y326 AromaticContact CE2-CG 3.4Å; Y119-Y326 HydrophobicContact CE2-CG 3.4Å; Y119-Y326 VanDerWaalsContact CE2-CG 3.4Å; Y119-Y326 AromaticContact CZ-CD1 3.61Å; Y119-Y326 AromaticContact CZ-CD2 3.86Å; Y119-Y326 AromaticContact CZ-CE1 3.6Å; Y119-Y326 AromaticContact CZ-CE2 3.84Å; Y119-Y326 AromaticContact CZ-CG 3.77Å; Y119-Y326 AromaticContact CZ-CZ 3.73Å; Y119-Y326 VanDerWaalsContact OH-CD2 3.26Å; Y119-Y326 WeakPolarHBondContact OH-CD2 3.22Å; Y119-Y326 WeakPolarHBondContact OH-CE2 3.49Å |
| 120 | A | 93 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T134 L135 T270 L274 Y326 | A120-T134 WeakPolarHBondContact O-CA 3.23Å; A120-L135 PolarHBondContact N-O 3.27Å; A120-L135 PolarHBondContact O-N 3.09Å; A120-T270 HydrophobicContact CB-CG2 3.55Å; A120-L274 HydrophobicContact CB-CD1 4.48Å; A120-L274 HydrophobicContact CB-CD2 4.25Å; A120-L274 HydrophobicContact CB-CG 4.48Å; A120-Y326 VanDerWaalsContact CA-O 3.31Å; A120-Y326 WeakPolarHBondContact CA-O 3.42Å |
| 121 | T | 92.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 163.2 | 178.4 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | A80 I83 Y89 Y119 T134 Y326 H327 | A80-T121 HydrophobicContact CB-CG2 4.23Å; I83-T121 HydrophobicContact CD1-CG2 3.89Å; Y89-T121 HydrophobicContact CD1-CG2 4.5Å; Y89-T121 HydrophobicContact CE1-CG2 3.83Å; Y119-T121 HydrophobicContact CD2-CG2 4.31Å; Y119-T121 HydrophobicContact CE2-CG2 4.49Å; T121-T134 HydrophobicContact CG2-CG2 4.05Å; T121-T134 VanDerWaalsContact CG2-OG1 3.22Å; T121-T134 WeakPolarHBondContact CG2-OG1 3.32Å; T121-Y326 PolarHBondContact N-O 2.03Å; T121-H327 PolarHBondContact O-ND1 3.11Å; T121-H327 PolarHBondContact OG1-CE1 2.78Å; T121-H327 PolarHBondContact OG1-ND1 3.49Å; T121-H327 VanDerWaalsContact OG1-ND1 3.11Å |
| 122 | H | 89.1 | Confident | 91 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 24% | 0.236 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -104.5 | 72.1 | -177.6 | -168.7 | -49.2 | 0 | 0 | 0 | 112.9 | Y124 N131 I133 Y263 W266 | H122-Y124 VanDerWaalsContact C-N 3.26Å; H122-Y124 PolarHBondContact O-N 2.64Å; H122-N131 HydrophobicContact CB-CB 4.27Å; H122-N131 WeakPolarHBondContact O-CB 3.4Å; H122-N131 VanDerWaalsContact O-CG 3.25Å; H122-N131 PolarHBondContact O-ND2 2.73Å; H122-I133 HydrophobicContact CB-CG2 3.97Å; H122-Y263 HydrophobicContact CB-CD1 4.43Å; H122-Y263 HydrophobicContact CB-CE1 4.14Å; H122-Y263 AromaticContact CD2-CD1 3.68Å; H122-Y263 AromaticContact CD2-CE1 3.71Å; H122-Y263 AromaticContact CG-CE1 3.86Å; H122-W266 HydrophobicContact CB-CD2 4.06Å; H122-W266 HydrophobicContact CB-CE3 4.5Å; H122-W266 HydrophobicContact CB-CH2 4.16Å; H122-W266 HydrophobicContact CB-CZ2 3.67Å; H122-W266 AromaticContact CD2-CD1 3.19Å; H122-W266 AromaticContact CD2-CD2 3.5Å; H122-W266 VanDerWaalsContact CD2-CD2 3.5Å; H122-W266 AromaticContact CD2-CE2 3.7Å; H122-W266 AromaticContact CD2-CG 3.21Å; H122-W266 AromaticContact CD2-NE1 3.46Å; H122-W266 PolarHBondContact CD2-NE1 2.78Å; H122-W266 AromaticContact CG-CD1 3.97Å; H122-W266 AromaticContact CG-CE2 3.94Å; H122-W266 AromaticContact CG-NE1 3.78Å; H122-W266 AromaticContact NE2-CD1 3.79Å; H122-W266 AromaticContact NE2-CG 3.96Å |
| 123 | F | 84.9 | Confident | 91.1 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 46 | 51.8 | -179.3 | -63.5 | -73.3 | 0 | 0 | 0 | 112.8 | N125 N131 V305 E318 V322 H327 | F123-N125 PolarHBondContact O-N 2.98Å; F123-N131 PolarHBondContact O-ND2 2.81Å; F123-N131 VanDerWaalsContact O-ND2 3.11Å; F123-V305 HydrophobicContact CE1-CG1 4.1Å; F123-V305 HydrophobicContact CE1-CG2 4.22Å; F123-V305 HydrophobicContact CE2-CG1 4.32Å; F123-V305 HydrophobicContact CZ-CG1 3.57Å; F123-V305 HydrophobicContact CZ-CG2 4.29Å; F123-E318 HydrophobicContact CD1-CG 4.39Å; F123-V322 HydrophobicContact CE1-CG2 4.32Å; F123-H327 WeakPolarHBondContact CA-CE1 2.96Å; F123-H327 VanDerWaalsContact CA-NE2 3.28Å; F123-H327 WeakPolarHBondContact CA-NE2 3.43Å; F123-H327 AromaticContact CD1-CD2 3.41Å; F123-H327 VanDerWaalsContact CD1-CD2 3.41Å; F123-H327 WeakPolarHBondContact CD1-CD2 3.47Å; F123-H327 AromaticContact CD1-NE2 3.58Å; F123-H327 HydrophobicContact CE1-CB 4.38Å; F123-H327 AromaticContact CE1-CD2 3.53Å; F123-H327 HydrophobicContact CZ-CB 4.48Å; F123-H327 PolarHBondContact N-CE1 2.91Å; F123-H327 PolarHBondContact N-ND1 3.41Å; F123-H327 PolarHBondContact N-NE2 3.03Å |
| 124 | Y | 87.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -63.5 | 132.9 | -179.4 | 169 | -116.2 | 0 | 0 | 0 | 110.4 | A80 H81 S84 H122 Y126 D129 D130 D132 L317 | A80-Y124 HydrophobicContact CB-CD1 3.82Å; A80-Y124 HydrophobicContact CB-CD2 3.75Å; A80-Y124 HydrophobicContact CB-CE1 4.39Å; A80-Y124 HydrophobicContact CB-CE2 4.31Å; A80-Y124 HydrophobicContact CB-CG 3.47Å; A80-Y124 VanDerWaalsContact CB-CG 3.47Å; H81-Y124 VanDerWaalsContact CB-OH 3.25Å; H81-Y124 WeakPolarHBondContact CB-OH 3.4Å; S84-Y124 WeakPolarHBondContact OG-CE1 3.38Å; H122-Y124 VanDerWaalsContact C-N 3.26Å; H122-Y124 PolarHBondContact O-N 2.64Å; Y124-Y126 HydrophobicContact CE1-CD2 4.05Å; Y124-D129 HydrophobicContact CE2-CB 4.39Å; Y124-D129 WeakPolarHBondContact CE2-OD1 3.31Å; Y124-D129 PolarHBondContact OH-OD1 2.96Å; Y124-D130 WeakPolarHBondContact CA-O 3.28Å; Y124-D130 WeakPolarHBondContact CD2-O 3.16Å; Y124-D132 HydrophobicContact CD2-CB 4Å; Y124-D132 HydrophobicContact CE2-CB 3.81Å; Y124-L317 HydrophobicContact CD1-CD2 3.95Å; Y124-L317 HydrophobicContact CE1-CD2 4.14Å | ||
| 125 | N | 85.2 | Confident | 91.3 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 20% | 0.203 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -109.1 | 113.2 | 174.8 | -178 | 11.7 | 0 | 0 | 0 | 110.2 | F123 D127 D128 D129 D130 | F123-N125 PolarHBondContact O-N 2.98Å; N125-D127 VanDerWaalsContact C-N 3.35Å; N125-D127 PolarHBondContact O-N 3.42Å; N125-D127 PolarHBondContact OD1-N 3.07Å; N125-D128 VanDerWaalsContact CB-OD1 3.27Å; N125-D128 WeakPolarHBondContact CB-OD1 3.45Å; N125-D128 PolarHBondContact ND2-OD1 2.87Å; N125-D129 VanDerWaalsContact O-CA 3.27Å; N125-D129 WeakPolarHBondContact O-CA 3.07Å; N125-D129 PolarHBondContact O-N 2.99Å; N125-D130 HydrophobicContact CB-CB 4.41Å; N125-D130 PolarHBondContact N-O 3.11Å; N125-D130 PolarHBondContact O-N 2.94Å |
| 126 | Y | 85.3 | Confident | 91.4 | Very high | 93 Ų | 93 | 24.8 Ų | 24.8 | 37% | 0.365 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.4 | -177.2 | -176.6 | -83.3 | 0 | 0 | 0 | 113.9 | R86 Y124 D128 L317 | R86-Y126 HydrophobicContact CB-CD1 3.73Å; R86-Y126 HydrophobicContact CB-CE1 3.66Å; R86-Y126 HydrophobicContact CB-CE2 4.45Å; R86-Y126 HydrophobicContact CB-CG 4.19Å; R86-Y126 HydrophobicContact CG-CD1 3.76Å; R86-Y126 HydrophobicContact CG-CE1 4.02Å; R86-Y126 HydrophobicContact CG-CG 4.41Å; Y124-Y126 HydrophobicContact CE1-CD2 4.05Å; Y126-D128 PolarHBondContact O-N 3.19Å; Y126-L317 VanDerWaalsContact CB-CD2 3.42Å; Y126-L317 HydrophobicContact CG-CD2 4.45Å |
| 127 | D | 83.3 | Confident | 91.5 | Very high | 111 Ų | 111 | 25.4 Ų | 25.4 | 59% | 0.594 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23 | -175.4 | -71.5 | -26.2 | 0 | 0 | 0 | 112.2 | N125 | N125-D127 VanDerWaalsContact C-N 3.35Å; N125-D127 PolarHBondContact O-N 3.42Å; N125-D127 PolarHBondContact OD1-N 3.07Å |
| 128 | D | 84.6 | Confident | 91.6 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 31% | 0.31 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -5.8 | -173.8 | 83.8 | -26.2 | 0 | 0 | 0 | 113.7 | N125 Y126 D130 R201 | N125-D128 VanDerWaalsContact CB-OD1 3.27Å; N125-D128 WeakPolarHBondContact CB-OD1 3.45Å; N125-D128 PolarHBondContact ND2-OD1 2.87Å; Y126-D128 PolarHBondContact O-N 3.19Å; D128-D130 VanDerWaalsContact C-N 3.29Å; D128-D130 PolarHBondContact O-N 3.34Å; D128-D130 VanDerWaalsContact OD1-CB 3.29Å; D128-D130 WeakPolarHBondContact OD1-CB 3.4Å; D128-D130 PolarHBondContact OD1-N 2.92Å; D128-R201 VanDerWaalsContact C-NH2 3.32Å; D128-R201 PolarHBondContact O-NH1 3.45Å; D128-R201 PolarHBondContact O-NH2 3.47Å; D128-R201 IonicContact OD1-NH2 2.78Å; D128-R201 IonicContact OD2-CZ 3.94Å; D128-R201 IonicContact OD2-NE 2.78Å; D128-R201 IonicContact OD2-NH2 3.24Å; D128-R201 PolarHBondContact OD2-NH2 2.59Å |
| 129 | D | 88.4 | Confident | 91.7 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 28.7 | -174.4 | -64.6 | -62.2 | 0 | 0 | 0 | 114.3 | Y124 N125 D132 L242 | Y124-D129 HydrophobicContact CE2-CB 4.39Å; Y124-D129 WeakPolarHBondContact CE2-OD1 3.31Å; Y124-D129 PolarHBondContact OH-OD1 2.96Å; N125-D129 VanDerWaalsContact O-CA 3.27Å; N125-D129 WeakPolarHBondContact O-CA 3.07Å; N125-D129 PolarHBondContact O-N 2.99Å; D129-D132 HydrophobicContact CB-CB 4.46Å; D129-D132 WeakPolarHBondContact O-CB 3.37Å; D129-L242 HydrophobicContact CB-CD1 4.43Å; D129-L242 HydrophobicContact CB-CD2 4.45Å; D129-L242 HydrophobicContact CB-CG 4.4Å; D129-L242 WeakPolarHBondContact OD2-CD2 3.34Å |
| 130 | D | 88.7 | Confident | 91.7 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 143.4 | 169.5 | -166.4 | 29.4 | 0 | 0 | 0 | 111.4 | Y124 N125 D128 D132 R204 | Y124-D130 WeakPolarHBondContact CA-O 3.28Å; Y124-D130 WeakPolarHBondContact CD2-O 3.16Å; N125-D130 HydrophobicContact CB-CB 4.41Å; N125-D130 PolarHBondContact N-O 3.11Å; N125-D130 PolarHBondContact O-N 2.94Å; D128-D130 VanDerWaalsContact C-N 3.29Å; D128-D130 PolarHBondContact O-N 3.34Å; D128-D130 VanDerWaalsContact OD1-CB 3.29Å; D128-D130 WeakPolarHBondContact OD1-CB 3.4Å; D128-D130 PolarHBondContact OD1-N 2.92Å; D130-D132 VanDerWaalsContact C-N 3.28Å; D130-D132 PolarHBondContact O-N 2.84Å; D130-R204 IonicContact OD1-CZ 3.26Å; D130-R204 IonicContact OD1-NE 3.74Å; D130-R204 PolarHBondContact OD1-NE 3.46Å; D130-R204 IonicContact OD1-NH2 3.07Å; D130-R204 PolarHBondContact OD1-NH2 3.27Å; D130-R204 IonicContact OD2-CZ 3.76Å; D130-R204 VanDerWaalsContact OD2-CZ 3.29Å; D130-R204 IonicContact OD2-NE 2.73Å; D130-R204 PolarHBondContact OD2-NE 2.95Å; D130-R204 IonicContact OD2-NH2 3.07Å; D130-R204 PolarHBondContact OD2-NH2 2.7Å |
| 131 | N | 91.7 | Very high | 91.8 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 40.6 | -172.4 | -48.9 | -58.8 | 0 | 0 | 0 | 114.8 | H122 F123 I133 Y263 | H122-N131 HydrophobicContact CB-CB 4.27Å; H122-N131 WeakPolarHBondContact O-CB 3.4Å; H122-N131 VanDerWaalsContact O-CG 3.25Å; H122-N131 PolarHBondContact O-ND2 2.73Å; F123-N131 PolarHBondContact O-ND2 2.81Å; F123-N131 VanDerWaalsContact O-ND2 3.11Å; N131-I133 PolarHBondContact O-N 2.93Å; N131-Y263 WeakPolarHBondContact CA-OH 3.26Å; N131-Y263 HydrophobicContact CB-CE1 4.38Å; N131-Y263 PolarHBondContact OD1-OH 2.86Å |
| 132 | D | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -73 | 65.6 | -179.9 | -172 | 21.6 | 0 | 0 | 0 | 113.3 | A80 H81 Y124 D129 D130 S241 V258 | A80-D132 WeakPolarHBondContact CA-OD1 3.26Å; A80-D132 PolarHBondContact N-OD1 2.58Å; H81-D132 IonicContact CE1-OD2 2.94Å; H81-D132 IonicContact CG-OD1 3.85Å; H81-D132 IonicContact CG-OD2 2.79Å; H81-D132 PolarHBondContact N-OD1 3.44Å; H81-D132 IonicContact ND1-OD1 2.6Å; H81-D132 PolarHBondContact ND1-OD1 3.46Å; H81-D132 IonicContact ND1-OD2 2.64Å; H81-D132 PolarHBondContact ND1-OD2 2.73Å; Y124-D132 HydrophobicContact CD2-CB 4Å; Y124-D132 HydrophobicContact CE2-CB 3.81Å; D129-D132 HydrophobicContact CB-CB 4.46Å; D129-D132 WeakPolarHBondContact O-CB 3.37Å; D130-D132 VanDerWaalsContact C-N 3.28Å; D130-D132 PolarHBondContact O-N 2.84Å; D132-S241 WeakPolarHBondContact CB-OG 3.19Å; D132-S241 VanDerWaalsContact OD2-CA 3.26Å; D132-S241 WeakPolarHBondContact OD2-CA 3.35Å; D132-S241 WeakPolarHBondContact OD2-CB 3.28Å; D132-S241 PolarHBondContact OD2-OG 3.49Å; D132-V258 HydrophobicContact CB-CG2 4.23Å; D132-V258 VanDerWaalsContact O-CG2 3.29Å; D132-V258 WeakPolarHBondContact O-CG2 3.34Å | ||
| 133 | I | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -141.3 | 138.4 | -177.3 | -171.4 | 169.8 | 0 | 0 | 0 | 111.4 | V77 T78 H122 N131 V258 M260 Y263 W266 I267 | V77-I133 HydrophobicContact CG1-CD1 4.08Å; V77-I133 HydrophobicContact CG1-CG1 4.01Å; T78-I133 WeakPolarHBondContact O-CA 3.33Å; H122-I133 HydrophobicContact CB-CG2 3.97Å; N131-I133 PolarHBondContact O-N 2.93Å; I133-V258 HydrophobicContact CB-CG1 4.36Å; I133-V258 HydrophobicContact CB-CG2 4.5Å; I133-V258 HydrophobicContact CD1-CG1 4.37Å; I133-M260 HydrophobicContact CD1-CE 4.25Å; I133-M260 HydrophobicContact CD1-SD 3.59Å; I133-M260 VanDerWaalsContact CD1-SD 3.59Å; I133-Y263 HydrophobicContact CG2-CD1 3.85Å; I133-Y263 HydrophobicContact CG2-CE1 3.85Å; I133-W266 HydrophobicContact CB-CZ3 4.45Å; I133-W266 HydrophobicContact CD1-CE3 4.49Å; I133-W266 HydrophobicContact CD1-CZ3 3.8Å; I133-W266 HydrophobicContact CG1-CH2 4.35Å; I133-W266 HydrophobicContact CG1-CZ3 3.88Å; I133-W266 HydrophobicContact CG2-CE3 4.46Å; I133-W266 HydrophobicContact CG2-CH2 3.99Å; I133-W266 HydrophobicContact CG2-CZ3 3.78Å; I133-I267 HydrophobicContact CD1-CD1 4.37Å | ||
| 134 | T | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.7 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | V77 T78 A80 I83 Y119 A120 T121 L136 | V77-T134 WeakPolarHBondContact CA-O 3.3Å; T78-T134 PolarHBondContact N-O 3.41Å; T78-T134 PolarHBondContact O-N 3.22Å; A80-T134 WeakPolarHBondContact CA-OG1 3.21Å; I83-T134 HydrophobicContact CD1-CG2 4.42Å; I83-T134 HydrophobicContact CG1-CG2 4.06Å; Y119-T134 HydrophobicContact CD2-CG2 4.04Å; Y119-T134 HydrophobicContact CG-CG2 4.19Å; A120-T134 WeakPolarHBondContact O-CA 3.23Å; T121-T134 HydrophobicContact CG2-CG2 4.05Å; T121-T134 VanDerWaalsContact CG2-OG1 3.22Å; T121-T134 WeakPolarHBondContact CG2-OG1 3.32Å; T134-L136 HydrophobicContact CG2-CD2 3.74Å; T134-L136 HydrophobicContact CG2-CG 4.49Å |
| 135 | L | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.9 | 163.2 | -94.3 | 63.8 | 0 | 0 | 0 | 109.5 | I75 V77 Y119 A120 W266 I267 T270 M271 L274 | I75-L135 HydrophobicContact CG2-CD2 4.09Å; I75-L135 HydrophobicContact CG2-CG 4.03Å; V77-L135 HydrophobicContact CG2-CD1 4.04Å; V77-L135 HydrophobicContact CG2-CG 4.43Å; Y119-L135 CarbonylContact C-O 3.56Å; Y119-L135 WeakPolarHBondContact CA-O 3.34Å; Y119-L135 WeakPolarHBondContact CB-O 3.28Å; A120-L135 PolarHBondContact N-O 3.27Å; A120-L135 PolarHBondContact O-N 3.09Å; L135-W266 HydrophobicContact CD1-CE3 4.48Å; L135-W266 HydrophobicContact CD1-CH2 3.76Å; L135-W266 HydrophobicContact CD1-CZ3 3.52Å; L135-I267 HydrophobicContact CD1-CG1 4.18Å; L135-I267 HydrophobicContact CD2-CG2 4.12Å; L135-T270 HydrophobicContact CB-CG2 4.08Å; L135-T270 HydrophobicContact CD2-CG2 3.82Å; L135-M271 HydrophobicContact CD2-CG 3.83Å; L135-L274 HydrophobicContact CB-CD1 3.77Å |
| 136 | L | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.2 | 171.1 | -51.8 | 179.1 | 0 | 0 | 0 | 109.4 | I49 I75 V76 T78 I95 V97 V116 Y119 T134 | I49-L136 HydrophobicContact CD1-CD1 3.99Å; I75-L136 WeakPolarHBondContact CA-O 3.37Å; V76-L136 HydrophobicContact CB-CB 4.25Å; V76-L136 HydrophobicContact CB-CD1 4.46Å; V76-L136 HydrophobicContact CG1-CD1 4.35Å; V76-L136 PolarHBondContact N-O 3.16Å; V76-L136 VanDerWaalsContact N-O 3.1Å; V76-L136 PolarHBondContact O-N 2.89Å; T78-L136 HydrophobicContact CG2-CD1 4Å; T78-L136 HydrophobicContact CG2-CD2 4.34Å; T78-L136 HydrophobicContact CG2-CG 4.05Å; I95-L136 HydrophobicContact CG2-CD1 4.34Å; V97-L136 HydrophobicContact CG1-CD1 4.19Å; V116-L136 HydrophobicContact CG1-CB 4.29Å; V116-L136 HydrophobicContact CG1-CD2 4.32Å; V116-L136 HydrophobicContact CG2-CB 4.31Å; V116-L136 HydrophobicContact CG2-CD1 4.16Å; Y119-L136 HydrophobicContact CD1-CD2 4.46Å; Y119-L136 HydrophobicContact CG-CD2 4.24Å; T134-L136 HydrophobicContact CG2-CD2 3.74Å; T134-L136 HydrophobicContact CG2-CG 4.49Å |
| 137 | K | 97.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.6 | 167.2 | -179.1 | 67.5 | 178.2 | -172.2 | 0 | 108.6 | D74 I75 K117 N118 L274 | D74-K137 HydrophobicContact CB-CD 4.49Å; D74-K137 VanDerWaalsContact CG-CE 3.46Å; D74-K137 WeakPolarHBondContact O-CA 3.39Å; D74-K137 IonicContact OD1-NZ 3.77Å; D74-K137 PolarHBondContact OD1-NZ 2.96Å; D74-K137 WeakPolarHBondContact OD2-CE 3.01Å; D74-K137 IonicContact OD2-NZ 3.98Å; D74-K137 PolarHBondContact OD2-NZ 3.38Å; I75-K137 HydrophobicContact CD1-CD 3.66Å; K117-K137 HydrophobicContact CB-CG 4.26Å; K117-K137 WeakPolarHBondContact CB-O 3.43Å; K117-K137 HydrophobicContact CD-CG 4.36Å; K117-K137 PolarHBondContact N-O 2.88Å; N118-K137 PolarHBondContact N-O 2.95Å; N118-K137 WeakPolarHBondContact O-CB 3.23Å; N118-K137 PolarHBondContact O-N 2.84Å; K137-L274 HydrophobicContact CB-CB 4.19Å; K137-L274 HydrophobicContact CB-CD1 4.35Å; K137-L274 HydrophobicContact CB-CD2 4.35Å; K137-L274 HydrophobicContact CD-CB 4.41Å; K137-L274 HydrophobicContact CG-CB 4.48Å |
| 138 | L | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 155.8 | 178.3 | -52.2 | -173.2 | 0 | 0 | 0 | 111.4 | D74 V76 V97 L99 R114 V116 S140 V142 | D74-L138 HydrophobicContact CB-CB 4.03Å; D74-L138 HydrophobicContact CB-CG 4.49Å; D74-L138 PolarHBondContact O-N 3.37Å; V76-L138 HydrophobicContact CG2-CD1 4.24Å; V76-L138 HydrophobicContact CG2-CD2 4.1Å; V76-L138 HydrophobicContact CG2-CG 4.39Å; V97-L138 HydrophobicContact CG1-CD2 4.26Å; V97-L138 HydrophobicContact CG2-CD1 4.15Å; V97-L138 HydrophobicContact CG2-CD2 3.52Å; V97-L138 HydrophobicContact CG2-CG 4.48Å; L99-L138 HydrophobicContact CD1-CD1 4.28Å; R114-L138 HydrophobicContact CB-CB 4.33Å; R114-L138 HydrophobicContact CB-CD1 4.17Å; R114-L138 HydrophobicContact CB-CD2 4.49Å; R114-L138 HydrophobicContact CG-CD1 4.14Å; V116-L138 HydrophobicContact CG2-CD2 4.49Å; L138-S140 VanDerWaalsContact C-N 3.27Å; L138-S140 PolarHBondContact O-N 3.48Å; L138-V142 HydrophobicContact CD1-CG1 4.43Å |
| 139 | T | 95.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 30 Ų | 30 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -35.5 | 174.8 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | G115 K117 | G115-T139 PolarHBondContact N-OG1 3.32Å; G115-T139 WeakPolarHBondContact O-CG2 2.99Å; G115-T139 PolarHBondContact O-N 2.9Å; G115-T139 PolarHBondContact O-OG1 3.49Å; K117-T139 HydrophobicContact CB-CG2 4.46Å |
| 140 | S | 94.7 | Very high | 96 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 152.7 | 172.1 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | R114 L138 | R114-S140 VanDerWaalsContact CD-OG 3.29Å; R114-S140 WeakPolarHBondContact CD-OG 3.48Å; R114-S140 PolarHBondContact NE-O 2.95Å; R114-S140 PolarHBondContact NE-OG 2.92Å; L138-S140 VanDerWaalsContact C-N 3.27Å; L138-S140 PolarHBondContact O-N 3.48Å |
| 141 | P | 96.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 29% | 0.292 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 156.9 | 178.1 | 27.5 | -34.8 | 0 | 0 | 0 | 113 | Q72 S73 D74 R114 | Q72-P141 HydrophobicContact CB-CB 4.14Å; Q72-P141 HydrophobicContact CG-CB 4.08Å; S73-P141 WeakPolarHBondContact O-CA 3.41Å; D74-P141 HydrophobicContact CB-CB 4.17Å; R114-P141 PolarHBondContact NH2-O 2.78Å |
| 142 | V | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.3 | 169.4 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | L64 Q72 S73 L99 V112 R114 L138 V148 | L64-V142 HydrophobicContact CD1-CG2 4.04Å; L64-V142 HydrophobicContact CD2-CG2 3.97Å; Q72-V142 CarbonylContact C-O 3.57Å; Q72-V142 WeakPolarHBondContact CA-O 3.3Å; Q72-V142 VanDerWaalsContact CB-O 3.29Å; Q72-V142 WeakPolarHBondContact CB-O 2.83Å; S73-V142 PolarHBondContact N-O 2.6Å; S73-V142 VanDerWaalsContact O-CG2 3.32Å; S73-V142 WeakPolarHBondContact O-CG2 3.44Å; S73-V142 PolarHBondContact O-N 3.41Å; L99-V142 HydrophobicContact CD1-CG1 4.2Å; L99-V142 HydrophobicContact CD2-CG2 4.17Å; V112-V142 HydrophobicContact CB-CG1 4.5Å; V112-V142 HydrophobicContact CG1-CG1 3.77Å; R114-V142 HydrophobicContact CG-CG1 3.92Å; L138-V142 HydrophobicContact CD1-CG1 4.43Å; V142-V148 HydrophobicContact CB-CG1 4.3Å; V142-V148 HydrophobicContact CG2-CG1 3.82Å |
| 143 | N | 96.3 | Very high | 96.8 | Very high | 105 Ų | 105 | 28 Ų | 28 | 56% | 0.561 | 15% | 0.151 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 146.4 | 177.4 | -67.7 | -22.7 | 0 | 0 | 0 | 110.1 | N71 T145 | N71-N143 WeakPolarHBondContact O-CA 3.39Å; N143-T145 PolarHBondContact O-N 2.95Å |
| 144 | Y | 96.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 28 Ų | 28 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | trans | -71.1 | 129.9 | 173.6 | -58.6 | -16 | 0 | 0 | 0 | 110.1 | L64 D66 N71 Q72 V148 P150 | L64-Y144 HydrophobicContact CD2-CE1 4.37Å; D66-Y144 VanDerWaalsContact CG-OH 3.3Å; D66-Y144 PolarHBondContact OD2-OH 3.1Å; N71-Y144 PolarHBondContact O-N 3.23Å; Q72-Y144 VanDerWaalsContact C-CE1 3.41Å; Q72-Y144 PolarHBondContact O-OH 2.91Å; Y144-V148 CarbonylContact C-O 3.54Å; Y144-V148 VanDerWaalsContact CA-O 3.24Å; Y144-V148 WeakPolarHBondContact CA-O 3.4Å; Y144-P150 HydrophobicContact CE1-CG 3.98Å; Y144-P150 HydrophobicContact CE2-CG 4Å | ||
| 145 | T | 95.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | trans | -133.1 | -169.9 | 177.4 | 68.3 | 0 | 0 | 0 | 0 | 109.2 | N143 E147 V148 | N143-T145 PolarHBondContact O-N 2.95Å; T145-E147 PolarHBondContact OG1-N 3.34Å; T145-E147 PolarHBondContact OG1-OE2 3.35Å; T145-V148 PolarHBondContact N-O 3.1Å; T145-V148 PolarHBondContact OG1-N 3.42Å | ||
| 146 | K | 95.8 | Very high | 96.1 | Very high | 140 Ų | 140 | 37.2 Ų | 37.2 | 61% | 0.609 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -73.4 | -25 | 173.8 | -64.1 | 175.4 | -176.8 | 174.2 | 0 | 111.4 | A17 | A17-K146 HydrophobicContact CB-CB 3.81Å; A17-K146 HydrophobicContact CB-CG 3.9Å |
| 147 | E | 96.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -101.2 | -19.2 | -175.5 | -57.7 | 75.9 | -162.1 | 0 | 0 | 112.7 | N41 P44 A110 T145 | N41-E147 HydrophobicContact CB-CB 4.41Å; N41-E147 HydrophobicContact CB-CG 3.86Å; P44-E147 WeakPolarHBondContact CA-O 3.09Å; P44-E147 VanDerWaalsContact CB-C 3.45Å; P44-E147 VanDerWaalsContact CB-O 3.26Å; P44-E147 WeakPolarHBondContact CB-O 3.41Å; A110-E147 HydrophobicContact CB-CB 3.74Å; A110-E147 HydrophobicContact CB-CG 3.57Å; T145-E147 PolarHBondContact OG1-N 3.34Å; T145-E147 PolarHBondContact OG1-OE2 3.35Å |
| 148 | V | 97 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | trans | -129.2 | 111.1 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | P44 L64 L99 V142 Y144 T145 | P44-V148 CarbonylContact O-C 3.57Å; P44-V148 WeakPolarHBondContact O-CA 3.1Å; L64-V148 HydrophobicContact CD2-CG1 3.86Å; L99-V148 HydrophobicContact CB-CG1 4.38Å; L99-V148 HydrophobicContact CB-CG2 4.16Å; L99-V148 HydrophobicContact CD2-CG1 4.28Å; V142-V148 HydrophobicContact CB-CG1 4.3Å; V142-V148 HydrophobicContact CG2-CG1 3.82Å; Y144-V148 CarbonylContact C-O 3.54Å; Y144-V148 VanDerWaalsContact CA-O 3.24Å; Y144-V148 WeakPolarHBondContact CA-O 3.4Å; T145-V148 PolarHBondContact N-O 3.1Å; T145-V148 PolarHBondContact OG1-N 3.42Å | ||
| 149 | S | 97 | Very high | 94.6 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -160.5 | 149.1 | 175.4 | 71.4 | 0 | 0 | 0 | 0 | 110.4 | P44 W45 | P44-S149 CarbonylContact C-O 3.57Å; P44-S149 VanDerWaalsContact C-O 3.31Å; P44-S149 WeakPolarHBondContact CG-OG 3.08Å; P44-S149 PolarHBondContact O-N 2.87Å; W45-S149 WeakPolarHBondContact CA-O 3.31Å; W45-S149 WeakPolarHBondContact CB-O 3.46Å; W45-S149 PolarHBondContact N-O 2.76Å | ||
| 150 | P | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 151.5 | -168.1 | 31.9 | -37.1 | 0 | 0 | 0 | 112.4 | C13 G14 L64 D66 Y144 | C13-P150 CarbonylContact C-O 3.56Å; C13-P150 WeakPolarHBondContact CA-O 3.29Å; C13-P150 HydrophobicContact CB-CG 4.14Å; G14-P150 PolarHBondContact N-O 3.47Å; L64-P150 HydrophobicContact CG-CB 4.44Å; L64-P150 VanDerWaalsContact O-CA 3.28Å; L64-P150 WeakPolarHBondContact O-CA 3.46Å; D66-P150 HydrophobicContact CB-CB 4.25Å; D66-P150 HydrophobicContact CB-CG 4.15Å; Y144-P150 HydrophobicContact CE1-CG 3.98Å; Y144-P150 HydrophobicContact CE2-CG 4Å |
| 151 | I | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 151.4 | 164.1 | -165.8 | 167.1 | 0 | 0 | 0 | 110.2 | W45 F63 L64 V65 F227 Y234 A236 | W45-I151 HydrophobicContact CB-CB 3.81Å; W45-I151 HydrophobicContact CB-CG2 4.18Å; W45-I151 HydrophobicContact CD2-CB 3.87Å; W45-I151 HydrophobicContact CD2-CD1 4.19Å; W45-I151 HydrophobicContact CD2-CG1 4.25Å; W45-I151 HydrophobicContact CE3-CB 4.19Å; W45-I151 HydrophobicContact CG-CB 3.69Å; W45-I151 HydrophobicContact CG-CD1 4.35Å; W45-I151 HydrophobicContact CG-CG1 4.45Å; W45-I151 HydrophobicContact CG-CG2 4.3Å; W45-I151 HydrophobicContact CZ2-CD1 4.41Å; F63-I151 HydrophobicContact CB-CG2 4.27Å; F63-I151 HydrophobicContact CD2-CG2 3.54Å; F63-I151 HydrophobicContact CE2-CG2 4.29Å; F63-I151 HydrophobicContact CG-CG2 4.27Å; L64-I151 PolarHBondContact O-N 3.02Å; V65-I151 HydrophobicContact CG1-CG2 4.24Å; I151-F227 HydrophobicContact CD1-CB 3.41Å; I151-F227 VanDerWaalsContact CD1-CB 3.41Å; I151-F227 HydrophobicContact CD1-CG 4.41Å; I151-Y234 VanDerWaalsContact CG1-O 3.3Å; I151-Y234 WeakPolarHBondContact CG1-O 3.38Å; I151-A236 HydrophobicContact CD1-CB 4.06Å; I151-A236 HydrophobicContact CG1-CB 4.38Å; I151-A236 HydrophobicContact CG2-CB 3.85Å |
| 152 | C | 97 | Very high | 92.2 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 143.7 | 177.6 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | C13 Y234 F235 A236 | C13-C152 HydrophobicContact CB-CB 3.99Å; C13-C152 WeakPolarHBondContact CB-SG 3.4Å; C13-C152 PolarHBondContact O-SG 3.24Å; C13-C152 WeakPolarHBondContact SG-CA 3.48Å; C13-C152 WeakPolarHBondContact SG-CB 3.44Å; C13-C152 CovalentContact SG-SG 2.05Å; C13-C152 PolarHBondContact SG-SG 3.4Å; C152-Y234 WeakPolarHBondContact CB-O 3.48Å; C152-Y234 PolarHBondContact N-O 2.76Å; C152-F235 HydrophobicContact CB-CD1 3.22Å; C152-F235 HydrophobicContact CB-CD2 4.42Å; C152-F235 HydrophobicContact CB-CE1 3.35Å; C152-F235 HydrophobicContact CB-CG 3.81Å; C152-F235 HydrophobicContact CB-CZ 4.02Å; C152-F235 CarbonylContact O-C 2.65Å; C152-F235 VanDerWaalsContact O-CA 3.29Å; C152-F235 WeakPolarHBondContact O-CA 3.38Å; C152-A236 PolarHBondContact O-N 3.26Å |
| 153 | L | 96.8 | Very high | 90.6 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 134.8 | 167 | -68.9 | 173.5 | 0 | 0 | 0 | 110 | V65 F235 M260 I267 L268 M271 | V65-L153 HydrophobicContact CB-CD2 4.39Å; V65-L153 HydrophobicContact CB-CG 4.47Å; V65-L153 HydrophobicContact CG1-CD2 3.83Å; V65-L153 HydrophobicContact CG1-CG 4.33Å; L153-F235 WeakPolarHBondContact O-CD1 3.25Å; L153-M260 HydrophobicContact CD2-CE 3.97Å; L153-I267 HydrophobicContact CD1-CG2 3.61Å; L153-I267 HydrophobicContact CD2-CD1 4.02Å; L153-I267 HydrophobicContact CD2-CG2 4.17Å; L153-L268 HydrophobicContact CD1-CD2 4.28Å; L153-M271 HydrophobicContact CD1-CE 4.07Å |
| 154 | P | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -78 | 150.1 | 176.7 | 34.3 | -37.4 | 0 | 0 | 0 | 110.9 | V159 A236 F237 M260 D261 H264 | P154-V159 HydrophobicContact CB-CG2 4.08Å; P154-A236 WeakPolarHBondContact CD-O 3.32Å; P154-A236 WeakPolarHBondContact CG-O 3.15Å; P154-F237 HydrophobicContact CB-CD1 4.17Å; P154-F237 HydrophobicContact CB-CE1 4.32Å; P154-M260 HydrophobicContact CG-CB 3.6Å; P154-D261 HydrophobicContact CB-CB 4.37Å; P154-D261 HydrophobicContact CG-CB 4.31Å; P154-H264 PolarHBondContact O-CD2 3.15Å; P154-H264 VanDerWaalsContact O-CD2 3.31Å |
| 155 | T | 93.7 | Very high | 88.9 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | trans | -110.7 | 168.5 | 162.6 | 68.1 | 0 | 0 | 0 | 0 | 108.8 | H157 T158 V159 | T155-H157 PolarHBondContact O-N 3.33Å; T155-H157 PolarHBondContact OG1-N 3.42Å; T155-T158 PolarHBondContact N-OG1 2.93Å; T155-T158 WeakPolarHBondContact O-CB 3.4Å; T155-T158 PolarHBondContact O-N 3.05Å; T155-T158 PolarHBondContact OG1-N 2.75Å; T155-T158 PolarHBondContact OG1-OG1 2.83Å; T155-T158 VanDerWaalsContact OG1-OG1 3.04Å; T155-V159 PolarHBondContact O-N 3.21Å; T155-V159 VanDerWaalsContact O-N 3.12Å | ||
| 156 | K | 89.5 | Confident | 88.9 | Confident | 143 Ų | 143 | 57.3 Ų | 57.3 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -51.9 | -45.5 | 172.7 | -67.9 | -176 | 179.4 | 176.4 | 0 | 111.8 | T158 V159 D160 | K156-T158 VanDerWaalsContact C-N 3.26Å; K156-T158 PolarHBondContact O-N 3.03Å; K156-V159 PolarHBondContact O-N 2.82Å; K156-D160 PolarHBondContact O-N 3.25Å |
| 157 | H | 87.9 | Confident | 88.8 | Confident | 147 Ų | 147 | 50.7 Ų | 50.7 | 68% | 0.681 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.6 | -26.7 | 177.2 | -61.3 | -58 | 0 | 0 | 0 | 114.2 | T155 R161 | T155-H157 PolarHBondContact O-N 3.33Å; T155-H157 PolarHBondContact OG1-N 3.42Å; H157-R161 WeakPolarHBondContact O-CG 3.5Å; H157-R161 PolarHBondContact O-NE 3.06Å |
| 158 | T | 86.9 | Confident | 88.7 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.9 | -42.2 | 175.5 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | T155 K156 D160 R161 V230 F235 F237 | T155-T158 PolarHBondContact N-OG1 2.93Å; T155-T158 WeakPolarHBondContact O-CB 3.4Å; T155-T158 PolarHBondContact O-N 3.05Å; T155-T158 PolarHBondContact OG1-N 2.75Å; T155-T158 PolarHBondContact OG1-OG1 2.83Å; T155-T158 VanDerWaalsContact OG1-OG1 3.04Å; K156-T158 VanDerWaalsContact C-N 3.26Å; K156-T158 PolarHBondContact O-N 3.03Å; T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 PolarHBondContact O-N 2.85Å; T158-R161 PolarHBondContact O-N 2.85Å; T158-V230 HydrophobicContact CG2-CB 4.26Å; T158-V230 HydrophobicContact CG2-CG1 4.25Å; T158-V230 HydrophobicContact CG2-CG2 4.05Å; T158-F235 HydrophobicContact CG2-CB 4.39Å; T158-F235 HydrophobicContact CG2-CD1 3.64Å; T158-F235 HydrophobicContact CG2-CD2 3.81Å; T158-F235 HydrophobicContact CG2-CE1 3.73Å; T158-F235 HydrophobicContact CG2-CE2 3.89Å; T158-F235 HydrophobicContact CG2-CG 3.69Å; T158-F235 HydrophobicContact CG2-CZ 3.85Å; T158-F237 HydrophobicContact CG2-CE1 4.2Å; T158-F237 HydrophobicContact CG2-CZ 4.48Å |
| 159 | V | 85.2 | Confident | 88.7 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | -177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | P154 T155 K156 R161 A162 F237 D261 | P154-V159 HydrophobicContact CB-CG2 4.08Å; T155-V159 PolarHBondContact O-N 3.21Å; T155-V159 VanDerWaalsContact O-N 3.12Å; K156-V159 PolarHBondContact O-N 2.82Å; V159-R161 PolarHBondContact O-N 3.22Å; V159-R161 VanDerWaalsContact O-N 3.14Å; V159-A162 WeakPolarHBondContact O-CB 3.18Å; V159-A162 PolarHBondContact O-N 2.03Å; V159-F237 HydrophobicContact CB-CE2 4.07Å; V159-F237 HydrophobicContact CB-CZ 4.34Å; V159-F237 HydrophobicContact CG1-CD2 4.3Å; V159-F237 HydrophobicContact CG1-CE2 3.93Å; V159-F237 HydrophobicContact CG2-CD2 4.17Å; V159-F237 HydrophobicContact CG2-CE1 4.45Å; V159-F237 HydrophobicContact CG2-CE2 3.93Å; V159-F237 HydrophobicContact CG2-CZ 4.08Å; V159-D261 HydrophobicContact CG2-CB 3.81Å |
| 160 | D | 83 | Confident | 88.6 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.9 | 178.3 | -64.3 | -25.2 | 0 | 0 | 0 | 114 | K156 T158 | K156-D160 PolarHBondContact O-N 3.25Å; T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 PolarHBondContact O-N 2.85Å |
| 161 | R | 79.6 | Confident | 88.4 | Confident | 127 Ų | 127 | 48.5 Ų | 48.5 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.6 | -179.1 | -65.8 | -172.1 | -66.3 | 149.9 | 9.1 | 114 | H157 T158 V159 L163 V230 D231 | H157-R161 WeakPolarHBondContact O-CG 3.5Å; H157-R161 PolarHBondContact O-NE 3.06Å; T158-R161 PolarHBondContact O-N 2.85Å; V159-R161 PolarHBondContact O-N 3.22Å; V159-R161 VanDerWaalsContact O-N 3.14Å; R161-L163 PolarHBondContact O-N 2.93Å; R161-V230 HydrophobicContact CB-CG1 3.92Å; R161-D231 IonicContact CZ-OD2 2.91Å; R161-D231 IonicContact NH1-OD2 2.7Å; R161-D231 PolarHBondContact NH1-OD2 2.79Å; R161-D231 IonicContact NH2-OD2 3.29Å |
| 162 | A | 73.8 | Confident | 88 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 26% | 0.264 | 25% | 0.248 | S | C | . | . | trans | -68.2 | 129.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V159 V230 F237 | V159-A162 WeakPolarHBondContact O-CB 3.18Å; V159-A162 PolarHBondContact O-N 2.03Å; A162-V230 HydrophobicContact CB-CG2 4.36Å; A162-F237 HydrophobicContact CB-CE2 3.42Å; A162-F237 VanDerWaalsContact CB-CE2 3.42Å; A162-F237 HydrophobicContact CB-CZ 3.59Å | ||
| 163 | L | 62.3 | Low | 87.4 | Confident | 140 Ų | 140 | 53.5 Ų | 53.5 | 73% | 0.733 | 27% | 0.266 | S | S | * | . | trans | -100.2 | 72.9 | 176.8 | -64.7 | 175.2 | 0 | 0 | 0 | 110.7 | R161 T165 | R161-L163 PolarHBondContact O-N 2.93Å; L163-T165 WeakPolarHBondContact O-CA 3.39Å; L163-T165 VanDerWaalsContact O-CB 3.23Å; L163-T165 WeakPolarHBondContact O-CB 3.26Å; L163-T165 PolarHBondContact O-N 2.74Å; L163-T165 PolarHBondContact O-OG1 2.95Å | ||
| 164 | D | 72.7 | Confident | 86.6 | Confident | 120 Ų | 120 | 52.4 Ų | 52.4 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 39.9 | 27.7 | 165.2 | -92.8 | -5.8 | 0 | 0 | 0 | 117.6 | R187 | D164-R187 PolarHBondContact O-NH2 2.93Š|
| 165 | T | 85.3 | Confident | 85.6 | Confident | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | trans | -127.3 | 73.4 | -171.3 | -55.8 | 0 | 0 | 0 | 0 | 107.6 | L163 F167 R187 C228 E229 | L163-T165 WeakPolarHBondContact O-CA 3.39Å; L163-T165 VanDerWaalsContact O-CB 3.23Å; L163-T165 WeakPolarHBondContact O-CB 3.26Å; L163-T165 PolarHBondContact O-N 2.74Å; L163-T165 PolarHBondContact O-OG1 2.95Å; T165-F167 HydrophobicContact CG2-CE2 3.54Å; T165-F167 HydrophobicContact CG2-CZ 3.79Å; T165-R187 PolarHBondContact OG1-NH2 2.92Å; T165-C228 WeakPolarHBondContact O-CA 3.43Å; T165-E229 PolarHBondContact O-N 2.97Å | ||
| 166 | C | 94.2 | Very high | 84.8 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.9 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | V188 L226 F227 C228 | C166-V188 HydrophobicContact CB-CG2 4.21Å; C166-V188 PolarHBondContact O-N 2.84Å; C166-L226 HydrophobicContact CB-CD1 3.91Å; C166-F227 CarbonylContact C-O 3.5Å; C166-F227 WeakPolarHBondContact CA-O 3.16Å; C166-C228 HydrophobicContact CB-CB 4.12Å; C166-C228 WeakPolarHBondContact CB-SG 3.43Å; C166-C228 WeakPolarHBondContact SG-CB 3.05Å; C166-C228 CovalentContact SG-SG 2.04Å; C166-C228 PolarHBondContact SG-SG 3.38Å |
| 167 | F | 95.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.5 | -175.8 | -57.2 | -90.9 | 0 | 0 | 0 | 110.4 | K22 W36 T165 T186 R187 L226 F227 | K22-F167 HydrophobicContact CB-CZ 4.22Å; K22-F167 HydrophobicContact CG-CZ 4.33Å; W36-F167 HydrophobicContact CH2-CE1 4.41Å; W36-F167 HydrophobicContact CZ2-CD1 4.47Å; W36-F167 HydrophobicContact CZ2-CE1 4.28Å; T165-F167 HydrophobicContact CG2-CE2 3.54Å; T165-F167 HydrophobicContact CG2-CZ 3.79Å; F167-T186 CarbonylContact C-O 3.18Å; F167-T186 WeakPolarHBondContact CA-O 3.24Å; F167-T186 WeakPolarHBondContact CB-O 3.49Å; F167-R187 HydrophobicContact CD1-CB 4.03Å; F167-R187 HydrophobicContact CD1-CG 4.43Å; F167-R187 HydrophobicContact CE1-CB 3.96Å; F167-R187 HydrophobicContact CE1-CG 4.18Å; F167-L226 WeakPolarHBondContact O-CA 3.09Å; F167-F227 HydrophobicContact CB-CD1 4.25Å; F167-F227 HydrophobicContact CB-CD2 4Å; F167-F227 HydrophobicContact CB-CE1 3.75Å; F167-F227 HydrophobicContact CB-CE2 3.48Å; F167-F227 VanDerWaalsContact CB-CE2 3.48Å; F167-F227 HydrophobicContact CB-CG 4.37Å; F167-F227 HydrophobicContact CB-CZ 3.35Å; F167-F227 HydrophobicContact CD2-CD2 4.29Å; F167-F227 AromaticContact CD2-CE2 3.99Å; F167-F227 HydrophobicContact CD2-CE2 3.99Å; F167-F227 AromaticContact CG-CE2 4Å; F167-F227 HydrophobicContact CG-CE2 4Å; F167-F227 HydrophobicContact CG-CZ 4.23Å; F167-F227 PolarHBondContact N-O 3.2Å; F167-F227 WeakPolarHBondContact O-CD1 3.22Å; F167-F227 PolarHBondContact O-N 2.76Å |
| 168 | A | 94.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q185 T186 V188 P217 Y257 | A168-Q185 CarbonylContact O-C 3.55Å; A168-Q185 WeakPolarHBondContact O-CA 3.49Å; A168-Q185 WeakPolarHBondContact O-CB 3.39Å; A168-T186 HydrophobicContact CB-CG2 4.45Å; A168-T186 PolarHBondContact N-O 2.05Å; A168-T186 PolarHBondContact O-N 2.79Å; A168-V188 HydrophobicContact CB-CG1 4.49Å; A168-P217 HydrophobicContact CB-CG 3.49Å; A168-P217 VanDerWaalsContact CB-CG 3.49Å; A168-Y257 WeakPolarHBondContact CB-OH 3.4Å |
| 169 | A | 95.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L43 M46 L183 K184 Q185 F227 | L43-A169 HydrophobicContact CD1-CB 3.54Å; M46-A169 HydrophobicContact CE-CB 4.27Å; M46-A169 VanDerWaalsContact CE-O 3.24Å; M46-A169 WeakPolarHBondContact CE-O 3.41Å; M46-A169 HydrophobicContact SD-CB 4.2Å; A169-L183 HydrophobicContact CB-CD1 4.28Å; A169-K184 WeakPolarHBondContact CA-O 3.37Å; A169-K184 VanDerWaalsContact CB-O 3.31Å; A169-K184 WeakPolarHBondContact CB-O 3.35Å; A169-Q185 HydrophobicContact CB-CB 3.88Å; A169-F227 HydrophobicContact CB-CE1 3.76Å; A169-F227 HydrophobicContact CB-CZ 4.2Å |
| 170 | G | 95.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | -171.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K184 D221 | G170-K184 PolarHBondContact N-O 3.23Å; G170-K184 VanDerWaalsContact N-O 3.08Å; G170-K184 PolarHBondContact O-N 3.48Å; G170-D221 VanDerWaalsContact C-OD1 3.29Å; G170-D221 WeakPolarHBondContact CA-OD1 3.5Å |
| 171 | W | 94 | Very high | 84.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -113.6 | 16.6 | -179.7 | -62.6 | -93.5 | 0 | 0 | 0 | 111.8 | M46 F48 A101 H102 L104 V179 S180 L183 D221 | M46-W171 HydrophobicContact CB-CH2 3.63Å; M46-W171 HydrophobicContact CB-CZ3 3.96Å; M46-W171 HydrophobicContact CE-CZ3 4.1Å; F48-W171 HydrophobicContact CB-CE3 4.12Å; F48-W171 HydrophobicContact CB-CZ3 4.07Å; F48-W171 HydrophobicContact CD2-CB 4.16Å; F48-W171 HydrophobicContact CD2-CD2 4.25Å; F48-W171 HydrophobicContact CD2-CE3 4.03Å; F48-W171 HydrophobicContact CD2-CG 4.35Å; F48-W171 HydrophobicContact CE2-CB 4.23Å; A101-W171 HydrophobicContact CB-CZ2 4.36Å; A101-W171 WeakPolarHBondContact O-CZ2 2.87Å; H102-W171 PolarHBondContact O-NE1 3Å; L104-W171 HydrophobicContact CD1-CB 3.88Å; L104-W171 HydrophobicContact CD1-CD2 4.36Å; L104-W171 HydrophobicContact CD1-CG 3.67Å; L104-W171 HydrophobicContact CG-CG 4.2Å; W171-V179 WeakPolarHBondContact O-CG1 2.98Å; W171-S180 PolarHBondContact O-N 3.25Å; W171-L183 HydrophobicContact CD2-CD1 3.97Å; W171-L183 HydrophobicContact CE3-CD1 4.08Å; W171-L183 HydrophobicContact CH2-CD1 3.91Å; W171-L183 HydrophobicContact CH2-CD2 4.29Å; W171-L183 HydrophobicContact CZ2-CB 3.81Å; W171-L183 HydrophobicContact CZ2-CD1 3.75Å; W171-L183 HydrophobicContact CZ2-CD2 4.03Å; W171-L183 HydrophobicContact CZ2-CG 4.07Å; W171-L183 HydrophobicContact CZ3-CD1 4.06Å; W171-D221 PolarHBondContact N-OD1 3.16Å |
| 172 | G | 89.2 | Confident | 85.4 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | -62.5 | 177 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T174 S180 V219 D221 | G172-T174 PolarHBondContact O-N 3Å; G172-S180 PolarHBondContact O-N 3.01Å; G172-V219 CarbonylContact C-O 3.34Å; G172-V219 WeakPolarHBondContact CA-O 3.33Å; G172-D221 VanDerWaalsContact CA-OD1 3.32Å; G172-D221 WeakPolarHBondContact CA-OD1 3.48Å; G172-D221 PolarHBondContact N-OD1 3.24Å | ||
| 173 | R | 85.2 | Confident | 86.4 | Confident | 106 Ų | 106 | 41.1 Ų | 41.1 | 40% | 0.4 | 22% | 0.218 | S | C | . | . | trans | -52.4 | 135.5 | 179.1 | 177.1 | 176.6 | -76 | 171.6 | -4.7 | 111.2 | P178 C218 V219 C247 | R173-P178 VanDerWaalsContact CA-O 3.25Å; R173-P178 WeakPolarHBondContact CA-O 3.44Å; R173-P178 WeakPolarHBondContact CB-O 3.3Å; R173-P178 PolarHBondContact N-O 2.73Å; R173-C218 HydrophobicContact CB-CB 4.45Å; R173-V219 HydrophobicContact CB-CB 4.32Å; R173-V219 PolarHBondContact N-O 3.4Å; R173-C247 VanDerWaalsContact CD-SG 3.54Å | ||
| 174 | T | 80.5 | Confident | 87.9 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -118 | -177.1 | 170.7 | 75.6 | 0 | 0 | 0 | 0 | 110.3 | G172 D176 E177 K184 | G172-T174 PolarHBondContact O-N 3Å; T174-D176 PolarHBondContact O-N 3.47Å; T174-D176 PolarHBondContact OG1-N 2.82Å; T174-E177 PolarHBondContact N-O 3.23Å; T174-E177 WeakPolarHBondContact OG1-CG 3.12Å; T174-E177 PolarHBondContact OG1-N 2.75Å; T174-K184 HydrophobicContact CG2-CD 4.04Å | ||
| 175 | E | 74.5 | Confident | 88.9 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -66.8 | -24.3 | 176.9 | 65.6 | -90.7 | -136.1 | 0 | 0 | 113.6 | R31 S33 | R31-E175 WeakPolarHBondContact CB-OE1 3.19Å; R31-E175 WeakPolarHBondContact CD-OE1 3.47Å; R31-E175 WeakPolarHBondContact CG-OE1 3.12Å; R31-E175 IonicContact CZ-OE1 3.97Å; R31-E175 IonicContact NE-OE1 3.54Å; R31-E175 PolarHBondContact NE-OE1 3.43Å; R31-E175 IonicContact NH2-OE1 3.97Å; R31-E175 PolarHBondContact NH2-OE1 2.86Å; S33-E175 VanDerWaalsContact CA-OE2 3.28Å; S33-E175 WeakPolarHBondContact CA-OE2 3.32Å |
| 176 | D | 76.3 | Confident | 89.2 | Confident | 105 Ų | 105 | 28.1 Ų | 28.1 | 56% | 0.561 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -104.3 | -22.6 | -173.1 | -59.7 | -38 | 0 | 0 | 0 | 112 | R31 T174 | R31-D176 IonicContact CZ-OD1 3.85Å; R31-D176 IonicContact CZ-OD2 2.59Å; R31-D176 IonicContact NE-OD2 2.69Å; R31-D176 IonicContact NH1-OD1 3.37Å; R31-D176 IonicContact NH1-OD2 2.87Å; R31-D176 PolarHBondContact NH1-OD2 3.15Å; R31-D176 IonicContact NH2-OD1 3.22Å; R31-D176 PolarHBondContact NH2-OD1 3.19Å; R31-D176 IonicContact NH2-OD2 3.41Å; R31-D176 PolarHBondContact NH2-OD2 2.76Å; T174-D176 PolarHBondContact O-N 3.47Å; T174-D176 PolarHBondContact OG1-N 2.82Å |
| 177 | E | 81.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 29.9 Ų | 29.9 | 23% | 0.229 | 15% | 0.153 | C | C | . | . | trans | -149.4 | 142.5 | -169.1 | 51.9 | -171 | 170.4 | 0 | 0 | 112.6 | T174 V179 S180 K184 | T174-E177 PolarHBondContact N-O 3.23Å; T174-E177 WeakPolarHBondContact OG1-CG 3.12Å; T174-E177 PolarHBondContact OG1-N 2.75Å; E177-V179 VanDerWaalsContact C-N 3.26Å; E177-V179 WeakPolarHBondContact CB-O 2.86Å; E177-V179 WeakPolarHBondContact CG-O 3.45Å; E177-V179 PolarHBondContact O-N 3.31Å; E177-S180 VanDerWaalsContact OE1-CA 3.31Å; E177-S180 WeakPolarHBondContact OE1-CA 3.3Å; E177-S180 PolarHBondContact OE1-OG 2.87Å; E177-K184 IonicContact OE1-NZ 2.84Å; E177-K184 PolarHBondContact OE1-NZ 3.3Å | ||
| 178 | P | 84 | Confident | 88.9 | Confident | 93 Ų | 93 | 29.9 Ų | 29.9 | 60% | 0.604 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -68 | -24.2 | 179.3 | 27.7 | -34.7 | 0 | 0 | 0 | 113.6 | R173 | R173-P178 VanDerWaalsContact CA-O 3.25Å; R173-P178 WeakPolarHBondContact CA-O 3.44Å; R173-P178 WeakPolarHBondContact CB-O 3.3Å; R173-P178 PolarHBondContact N-O 2.73Å |
| 179 | V | 85 | Confident | 88.7 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -139.1 | 132.8 | 172.9 | 177 | 0 | 0 | 0 | 0 | 106.2 | W171 E177 | W171-V179 WeakPolarHBondContact O-CG1 2.98Å; E177-V179 VanDerWaalsContact C-N 3.26Å; E177-V179 WeakPolarHBondContact CB-O 2.86Å; E177-V179 WeakPolarHBondContact CG-O 3.45Å; E177-V179 PolarHBondContact O-N 3.31Å |
| 180 | S | 90.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -76.4 | 127 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | W171 G172 E177 V182 K184 | W171-S180 PolarHBondContact O-N 3.25Å; G172-S180 PolarHBondContact O-N 3.01Å; E177-S180 VanDerWaalsContact OE1-CA 3.31Å; E177-S180 WeakPolarHBondContact OE1-CA 3.3Å; E177-S180 PolarHBondContact OE1-OG 2.87Å; S180-V182 WeakPolarHBondContact CB-O 3.18Å; S180-V182 PolarHBondContact O-N 3.21Å; S180-V182 PolarHBondContact OG-N 3.37Å; S180-V182 PolarHBondContact OG-O 2.85Å; S180-K184 WeakPolarHBondContact OG-CD 3.48Å; S180-K184 WeakPolarHBondContact OG-CE 3.42Å; S180-K184 PolarHBondContact OG-NZ 3.49Å | ||
| 181 | M | 90.8 | Very high | 88.2 | Confident | 54 Ų | 54 | 39.7 Ų | 39.7 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -72.3 | -19.6 | 175.8 | -58.9 | -55.3 | -73.7 | 0 | 0 | 112.6 | E103 L104 R105 | E103-M181 CarbonylContact C-O 3.56Å; E103-M181 VanDerWaalsContact CA-O 3.23Å; E103-M181 WeakPolarHBondContact CA-O 3.31Å; E103-M181 WeakPolarHBondContact CG-O 3.31Å; L104-M181 HydrophobicContact CB-CE 4.49Å; L104-M181 PolarHBondContact N-O 3.15Å; R105-M181 VanDerWaalsContact CA-CE 3.43Å; R105-M181 HydrophobicContact CB-CE 3.55Å; R105-M181 HydrophobicContact CG-CE 4.01Å |
| 182 | V | 92.9 | Very high | 88 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 148.5 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | E37 H102 E103 S180 K184 | E37-V182 HydrophobicContact CG-CB 4.23Å; E37-V182 HydrophobicContact CG-CG2 4.01Å; H102-V182 CarbonylContact O-C 3.47Å; H102-V182 WeakPolarHBondContact O-CA 3.5Å; E103-V182 HydrophobicContact CB-CG1 4.22Å; E103-V182 HydrophobicContact CG-CG1 3.99Å; S180-V182 WeakPolarHBondContact CB-O 3.18Å; S180-V182 PolarHBondContact O-N 3.21Å; S180-V182 PolarHBondContact OG-N 3.37Å; S180-V182 PolarHBondContact OG-O 2.85Å; V182-K184 HydrophobicContact CG2-CG 4.18Å; V182-K184 PolarHBondContact O-N 3.08Å |
| 183 | L | 94.7 | Very high | 88 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -67.3 | 122.8 | 175.2 | -179 | 58.3 | 0 | 0 | 0 | 109.7 | A38 L43 M46 H102 A169 W171 | A38-L183 HydrophobicContact CB-CB 4.43Å; A38-L183 HydrophobicContact CB-CD2 4.31Å; A38-L183 HydrophobicContact CB-CG 4.04Å; A38-L183 WeakPolarHBondContact CB-O 3.29Å; A38-L183 PolarHBondContact N-O 2.83Å; L43-L183 HydrophobicContact CB-CD2 3.93Å; L43-L183 HydrophobicContact CD1-CD2 3.91Å; L43-L183 HydrophobicContact CD1-CG 4.31Å; L43-L183 HydrophobicContact CG-CD2 4.37Å; M46-L183 HydrophobicContact CB-CD2 4.27Å; M46-L183 HydrophobicContact CE-CD1 4.36Å; M46-L183 HydrophobicContact CG-CD1 4.37Å; M46-L183 HydrophobicContact CG-CD2 4.03Å; H102-L183 PolarHBondContact O-N 3.2Å; A169-L183 HydrophobicContact CB-CD1 4.28Å; W171-L183 HydrophobicContact CD2-CD1 3.97Å; W171-L183 HydrophobicContact CE3-CD1 4.08Å; W171-L183 HydrophobicContact CH2-CD1 3.91Å; W171-L183 HydrophobicContact CH2-CD2 4.29Å; W171-L183 HydrophobicContact CZ2-CB 3.81Å; W171-L183 HydrophobicContact CZ2-CD1 3.75Å; W171-L183 HydrophobicContact CZ2-CD2 4.03Å; W171-L183 HydrophobicContact CZ2-CG 4.07Å; W171-L183 HydrophobicContact CZ3-CD1 4.06Å | ||
| 184 | K | 94.1 | Very high | 88.1 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 162.7 | 178.5 | -68.5 | 162.7 | 165.2 | 165.5 | 0 | 109.8 | R31 I32 W36 A169 G170 T174 E177 S180 V182 | R31-K184 WeakPolarHBondContact O-CD 3.5Å; R31-K184 WeakPolarHBondContact O-CE 3.46Å; R31-K184 PolarHBondContact O-NZ 3.15Å; I32-K184 HydrophobicContact CB-CB 4.46Å; I32-K184 HydrophobicContact CD1-CB 3.83Å; I32-K184 WeakPolarHBondContact CD1-O 3.3Å; I32-K184 HydrophobicContact CG1-CB 3.2Å; I32-K184 HydrophobicContact CG1-CD 4.33Å; I32-K184 HydrophobicContact CG1-CG 4.38Å; W36-K184 WeakPolarHBondContact O-CA 3.47Å; A169-K184 WeakPolarHBondContact CA-O 3.37Å; A169-K184 VanDerWaalsContact CB-O 3.31Å; A169-K184 WeakPolarHBondContact CB-O 3.35Å; G170-K184 PolarHBondContact N-O 3.23Å; G170-K184 VanDerWaalsContact N-O 3.08Å; G170-K184 PolarHBondContact O-N 3.48Å; T174-K184 HydrophobicContact CG2-CD 4.04Å; E177-K184 IonicContact OE1-NZ 2.84Å; E177-K184 PolarHBondContact OE1-NZ 3.3Å; S180-K184 WeakPolarHBondContact OG-CD 3.48Å; S180-K184 WeakPolarHBondContact OG-CE 3.42Å; S180-K184 PolarHBondContact OG-NZ 3.49Å; V182-K184 HydrophobicContact CG2-CG 4.18Å; V182-K184 PolarHBondContact O-N 3.08Å |
| 185 | Q | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160.8 | -179 | 54.2 | 164.2 | 88 | 0 | 0 | 111.8 | R21 G35 W36 A38 L43 A168 A169 | R21-Q185 PolarHBondContact O-NE2 3.07Å; G35-Q185 CarbonylContact C-O 3.5Å; G35-Q185 WeakPolarHBondContact CA-O 3.36Å; W36-Q185 HydrophobicContact CZ2-CG 4.41Å; W36-Q185 PolarHBondContact N-O 3.29Å; W36-Q185 VanDerWaalsContact NE1-NE2 3.14Å; W36-Q185 PolarHBondContact O-N 3.19Å; A38-Q185 HydrophobicContact CB-CG 4.1Å; L43-Q185 HydrophobicContact CD1-CB 4.35Å; A168-Q185 CarbonylContact O-C 3.55Å; A168-Q185 WeakPolarHBondContact O-CA 3.49Å; A168-Q185 WeakPolarHBondContact O-CB 3.39Å; A169-Q185 HydrophobicContact CB-CB 3.88Å |
| 186 | T | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.7 | 171.9 | -173 | 0 | 0 | 0 | 0 | 112.1 | F167 A168 V188 S215 | F167-T186 CarbonylContact C-O 3.18Å; F167-T186 WeakPolarHBondContact CA-O 3.24Å; F167-T186 WeakPolarHBondContact CB-O 3.49Å; A168-T186 HydrophobicContact CB-CG2 4.45Å; A168-T186 PolarHBondContact N-O 2.05Å; A168-T186 PolarHBondContact O-N 2.79Å; T186-V188 HydrophobicContact CG2-CG1 4.06Å; T186-S215 WeakPolarHBondContact CB-OG 3.2Å; T186-S215 VanDerWaalsContact OG1-CB 3.31Å; T186-S215 WeakPolarHBondContact OG1-CB 3.41Å; T186-S215 PolarHBondContact OG1-OG 2.82Å |
| 187 | R | 91.7 | Very high | 89 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.8 | 169.7 | -171.9 | 174.8 | -178.4 | 165.6 | 4.9 | 109.3 | W36 D164 T165 F167 Y211 Y212 | W36-R187 HydrophobicContact CH2-CB 4.05Å; D164-R187 PolarHBondContact O-NH2 2.93Å; T165-R187 PolarHBondContact OG1-NH2 2.92Å; F167-R187 HydrophobicContact CD1-CB 4.03Å; F167-R187 HydrophobicContact CD1-CG 4.43Å; F167-R187 HydrophobicContact CE1-CB 3.96Å; F167-R187 HydrophobicContact CE1-CG 4.18Å; R187-Y211 HydrophobicContact CB-CD1 4.34Å; R187-Y211 HydrophobicContact CB-CG 4.12Å; R187-Y211 HydrophobicContact CG-CD1 4.25Å; R187-Y211 HydrophobicContact CG-CD2 3.95Å; R187-Y211 HydrophobicContact CG-CG 3.74Å; R187-Y211 WeakPolarHBondContact O-CB 3.48Å; R187-Y211 PolarHBondContact O-N 3.27Å; R187-Y212 HydrophobicContact CB-CD2 4.29Å; R187-Y212 HydrophobicContact CB-CE2 3.99Å |
| 188 | V | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 163.9 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | C166 A168 T186 I208 R209 L226 | C166-V188 HydrophobicContact CB-CG2 4.21Å; C166-V188 PolarHBondContact O-N 2.84Å; A168-V188 HydrophobicContact CB-CG1 4.49Å; T186-V188 HydrophobicContact CG2-CG1 4.06Å; V188-I208 HydrophobicContact CB-CB 4.38Å; V188-I208 HydrophobicContact CG1-CD1 4.31Å; V188-I208 HydrophobicContact CG2-CG2 4.49Å; V188-R209 WeakPolarHBondContact CA-O 3.07Å; V188-L226 HydrophobicContact CG2-CD1 3.32Å |
| 189 | R | 90.5 | Very high | 88.2 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 48% | 0.475 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.4 | 173.7 | -61.5 | -177.4 | -175.5 | -178 | 1.6 | 109.1 | V191 I208 R209 Y211 | R189-V191 HydrophobicContact CB-CG1 4.46Å; R189-I208 CarbonylContact O-C 3.51Å; R189-I208 WeakPolarHBondContact O-CA 3.3Å; R189-I208 WeakPolarHBondContact O-CB 3.11Å; R189-R209 PolarHBondContact N-O 3.19Å; R189-R209 PolarHBondContact O-N 2.65Å; R189-Y211 HydrophobicContact CG-CD2 3.83Å |
| 190 | I | 91.4 | Very high | 88 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.7 | 167.3 | -58.6 | 175.7 | 0 | 0 | 0 | 107.1 | L206 I208 L226 F237 | I190-L206 HydrophobicContact CG2-CD2 4.27Å; I190-I208 HydrophobicContact CG1-CG2 4.3Å; I190-L226 HydrophobicContact CD1-CD2 4.08Å; I190-L226 HydrophobicContact CG1-CD2 4.09Å; I190-F237 HydrophobicContact CD1-CD2 4.07Å |
| 191 | V | 90.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 163.9 | -179.5 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | R189 I193 Y195 C207 R209 | R189-V191 HydrophobicContact CB-CG1 4.46Å; V191-I193 PolarHBondContact O-N 3.1Å; V191-Y195 HydrophobicContact CB-CD2 4.39Å; V191-Y195 HydrophobicContact CG2-CD2 4.43Å; V191-Y195 HydrophobicContact CG2-CG 4.4Å; V191-C207 HydrophobicContact CG2-CB 3.86Å; V191-C207 VanDerWaalsContact CG2-SG 3.56Å; V191-C207 PolarHBondContact N-O 3.39Å; V191-R209 HydrophobicContact CB-CG 4.45Å; V191-R209 HydrophobicContact CG1-CB 4.08Å; V191-R209 HydrophobicContact CG1-CG 3.82Å; V191-R209 HydrophobicContact CG2-CG 3.84Å |
| 192 | P | 89.6 | Confident | 87.3 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | trans | -54 | 138 | 174.1 | -26.8 | 35.3 | 0 | 0 | 0 | 112.1 | S194 Y195 | P192-S194 PolarHBondContact O-N 2.78Å; P192-Y195 HydrophobicContact CB-CD2 4.01Å; P192-Y195 HydrophobicContact CB-CE2 4.25Å; P192-Y195 HydrophobicContact CG-CD2 4.23Å; P192-Y195 HydrophobicContact CG-CE2 4.09Å; P192-Y195 WeakPolarHBondContact O-CB 3.47Å; P192-Y195 WeakPolarHBondContact O-CD2 3.4Å; P192-Y195 PolarHBondContact O-N 2.78Å | ||
| 193 | I | 89.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 9% | 0.087 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -58.6 | -22.8 | -176.8 | -165.6 | 63.4 | 0 | 0 | 0 | 113.6 | V191 Y195 C196 S198 K202 A205 C207 L256 | V191-I193 PolarHBondContact O-N 3.1Å; I193-Y195 PolarHBondContact O-N 2.94Å; I193-C196 HydrophobicContact CD1-CB 4.3Å; I193-C196 WeakPolarHBondContact O-CA 3.43Å; I193-C196 WeakPolarHBondContact O-CB 3.37Å; I193-C196 PolarHBondContact O-N 3.03Å; I193-S198 VanDerWaalsContact CG1-O 3.25Å; I193-S198 WeakPolarHBondContact CG1-O 3.29Å; I193-K202 HydrophobicContact CG2-CB 3.83Å; I193-K202 HydrophobicContact CG2-CD 4.36Å; I193-K202 HydrophobicContact CG2-CG 3.85Å; I193-A205 HydrophobicContact CD1-CB 4.01Å; I193-C207 HydrophobicContact CD1-CB 4.02Å; I193-L256 HydrophobicContact CD1-CD1 3.81Å |
| 194 | S | 87.1 | Confident | 86.9 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -61 | -25.6 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | P192 C196 Y197 | P192-S194 PolarHBondContact O-N 2.78Å; S194-C196 PolarHBondContact O-N 3.07Å; S194-Y197 PolarHBondContact O-N 3.39Å |
| 195 | Y | 86.3 | Confident | 86.8 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 48% | 0.482 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -69.7 | -20.9 | 172.5 | -74.9 | -87.7 | 0 | 0 | 0 | 112.8 | V191 P192 I193 P253 | V191-Y195 HydrophobicContact CB-CD2 4.39Å; V191-Y195 HydrophobicContact CG2-CD2 4.43Å; V191-Y195 HydrophobicContact CG2-CG 4.4Å; P192-Y195 HydrophobicContact CB-CD2 4.01Å; P192-Y195 HydrophobicContact CB-CE2 4.25Å; P192-Y195 HydrophobicContact CG-CD2 4.23Å; P192-Y195 HydrophobicContact CG-CE2 4.09Å; P192-Y195 WeakPolarHBondContact O-CB 3.47Å; P192-Y195 WeakPolarHBondContact O-CD2 3.4Å; P192-Y195 PolarHBondContact O-N 2.78Å; I193-Y195 PolarHBondContact O-N 2.94Å; Y195-P253 WeakPolarHBondContact O-CD 3.25Å |
| 196 | C | 85.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 10% | 0.095 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -92 | -0 | 175.1 | -78.5 | 0 | 0 | 0 | 0 | 113.8 | I193 S194 S198 C207 P253 L256 | I193-C196 HydrophobicContact CD1-CB 4.3Å; I193-C196 WeakPolarHBondContact O-CA 3.43Å; I193-C196 WeakPolarHBondContact O-CB 3.37Å; I193-C196 PolarHBondContact O-N 3.03Å; S194-C196 PolarHBondContact O-N 3.07Å; C196-S198 PolarHBondContact O-N 3.08Å; C196-S198 VanDerWaalsContact O-N 3.13Å; C196-S198 PolarHBondContact O-OG 2.81Å; C196-C207 HydrophobicContact CB-CB 3.78Å; C196-C207 WeakPolarHBondContact CB-SG 3.45Å; C196-C207 PolarHBondContact N-SG 2.83Å; C196-C207 VanDerWaalsContact N-SG 3.39Å; C196-C207 WeakPolarHBondContact SG-CA 3.18Å; C196-C207 WeakPolarHBondContact SG-CB 3.41Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.3Å; C196-P253 HydrophobicContact CB-CB 4.13Å; C196-P253 HydrophobicContact CB-CG 4.33Å; C196-P253 WeakPolarHBondContact SG-CB 3.49Å; C196-L256 HydrophobicContact CB-CD1 3.95Å |
| 197 | Y | 77.8 | Confident | 86.7 | Confident | 192 Ų | 192 | 65.7 Ų | 65.7 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 25.3 | -174.6 | -55.2 | -83.1 | 0 | 0 | 0 | 114.3 | S194 | S194-Y197 PolarHBondContact O-N 3.39Š|
| 198 | S | 75.5 | Confident | 86.7 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | trans | -119 | 51.2 | -179.5 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | I193 C196 E200 R201 | I193-S198 VanDerWaalsContact CG1-O 3.25Å; I193-S198 WeakPolarHBondContact CG1-O 3.29Å; C196-S198 PolarHBondContact O-N 3.08Å; C196-S198 VanDerWaalsContact O-N 3.13Å; C196-S198 PolarHBondContact O-OG 2.81Å; S198-E200 VanDerWaalsContact CA-OE1 3.28Å; S198-E200 WeakPolarHBondContact CA-OE1 3.44Å; S198-E200 PolarHBondContact O-N 3.38Å; S198-R201 PolarHBondContact O-N 2.83Å | ||
| 199 | I | 73.3 | Confident | 86.5 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -60.4 | -36.7 | -173.2 | -65.9 | 173 | 0 | 0 | 0 | 111 | R201 K202 | I199-R201 PolarHBondContact O-N 3.27Å; I199-R201 VanDerWaalsContact O-N 3.12Å; I199-K202 WeakPolarHBondContact O-CB 3.3Å; I199-K202 PolarHBondContact O-N 3.38Å; I199-K202 VanDerWaalsContact O-N 3.08Å |
| 200 | E | 81.9 | Confident | 86.3 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -59.2 | -20.4 | 175.4 | 69.9 | -64.2 | 150.8 | 0 | 0 | 113.4 | S198 | S198-E200 VanDerWaalsContact CA-OE1 3.28Å; S198-E200 WeakPolarHBondContact CA-OE1 3.44Å; S198-E200 PolarHBondContact O-N 3.38Å |
| 201 | R | 82.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -103.2 | 12.5 | 178.2 | -56.5 | -169.4 | -171.7 | 158.8 | 11.4 | 114.3 | D128 S198 I199 H203 R204 A205 | D128-R201 VanDerWaalsContact C-NH2 3.32Å; D128-R201 PolarHBondContact O-NH1 3.45Å; D128-R201 PolarHBondContact O-NH2 3.47Å; D128-R201 IonicContact OD1-NH2 2.78Å; D128-R201 IonicContact OD2-CZ 3.94Å; D128-R201 IonicContact OD2-NE 2.78Å; D128-R201 IonicContact OD2-NH2 3.24Å; D128-R201 PolarHBondContact OD2-NH2 2.59Å; S198-R201 PolarHBondContact O-N 2.83Å; I199-R201 PolarHBondContact O-N 3.27Å; I199-R201 VanDerWaalsContact O-N 3.12Å; R201-H203 PolarHBondContact O-N 3.22Å; R201-R204 PolarHBondContact O-N 3Å; R201-A205 HydrophobicContact CB-CB 3.93Å; R201-A205 PolarHBondContact O-N 3.38Å |
| 202 | K | 83.1 | Confident | 85.8 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -34.4 | -179.6 | -175.8 | 175.3 | 176.1 | -175.6 | 0 | 114 | I193 I199 R259 | I193-K202 HydrophobicContact CG2-CB 3.83Å; I193-K202 HydrophobicContact CG2-CD 4.36Å; I193-K202 HydrophobicContact CG2-CG 3.85Å; I199-K202 WeakPolarHBondContact O-CB 3.3Å; I199-K202 PolarHBondContact O-N 3.38Å; I199-K202 VanDerWaalsContact O-N 3.08Å; K202-R259 PolarHBondContact O-NE 3.42Å; K202-R259 PolarHBondContact O-NH2 2.85Å |
| 203 | H | 88.5 | Confident | 85.3 | Confident | 142 Ų | 142 | 70.6 Ų | 70.6 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -8.4 | -178.4 | -59.5 | -67.7 | 0 | 0 | 0 | 114.8 | R201 S262 | R201-H203 PolarHBondContact O-N 3.22Å; H203-S262 VanDerWaalsContact O-CB 3.24Å; H203-S262 WeakPolarHBondContact O-CB 3.23Å; H203-S262 PolarHBondContact O-OG 3.14Å |
| 204 | R | 91.3 | Very high | 84.7 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -10.6 | -176.5 | -65.1 | -167.3 | -63.7 | -93 | 3.7 | 113.6 | D130 R201 R259 Y263 | D130-R204 IonicContact OD1-CZ 3.26Å; D130-R204 IonicContact OD1-NE 3.74Å; D130-R204 PolarHBondContact OD1-NE 3.46Å; D130-R204 IonicContact OD1-NH2 3.07Å; D130-R204 PolarHBondContact OD1-NH2 3.27Å; D130-R204 IonicContact OD2-CZ 3.76Å; D130-R204 VanDerWaalsContact OD2-CZ 3.29Å; D130-R204 IonicContact OD2-NE 2.73Å; D130-R204 PolarHBondContact OD2-NE 2.95Å; D130-R204 IonicContact OD2-NH2 3.07Å; D130-R204 PolarHBondContact OD2-NH2 2.7Å; R201-R204 PolarHBondContact O-N 3Å; R204-R259 VanDerWaalsContact C-CB 3.49Å; R204-R259 WeakPolarHBondContact O-CB 3.42Å; R204-R259 PolarHBondContact O-N 2.9Å; R204-Y263 HydrophobicContact CB-CE2 4.25Å; R204-Y263 WeakPolarHBondContact CD-OH 3.29Å; R204-Y263 HydrophobicContact CG-CE2 4.48Å |
| 205 | A | 92.5 | Very high | 84.4 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I193 R201 L256 Y257 R259 | I193-A205 HydrophobicContact CD1-CB 4.01Å; R201-A205 HydrophobicContact CB-CB 3.93Å; R201-A205 PolarHBondContact O-N 3.38Å; A205-L256 HydrophobicContact CB-CD1 3.85Å; A205-L256 HydrophobicContact CB-CD2 4.37Å; A205-L256 HydrophobicContact CB-CG 4.09Å; A205-Y257 CarbonylContact C-O 3.56Å; A205-Y257 WeakPolarHBondContact CA-O 3.44Å; A205-R259 PolarHBondContact O-NE 3.46Å; A205-R259 VanDerWaalsContact O-NE 3.14Å; A205-R259 PolarHBondContact O-NH2 3.08Å |
| 206 | L | 92.6 | Very high | 84.3 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138 | 169.7 | -65.9 | 172.8 | 0 | 0 | 0 | 108.5 | I190 L226 F237 Y257 R259 | I190-L206 HydrophobicContact CG2-CD2 4.27Å; L206-L226 HydrophobicContact CD1-CD2 3.98Å; L206-F237 HydrophobicContact CD1-CB 4.32Å; L206-F237 VanDerWaalsContact CD1-O 3.27Å; L206-F237 WeakPolarHBondContact CD1-O 3.33Å; L206-Y257 PolarHBondContact N-O 3.37Å; L206-Y257 PolarHBondContact O-N 3.32Å; L206-R259 HydrophobicContact CD2-CG 4.26Å; L206-R259 HydrophobicContact CG-CB 4.03Å; L206-R259 HydrophobicContact CG-CG 4.16Å |
| 207 | C | 91.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.4 | 173 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | V191 I193 C196 | V191-C207 HydrophobicContact CG2-CB 3.86Å; V191-C207 VanDerWaalsContact CG2-SG 3.56Å; V191-C207 PolarHBondContact N-O 3.39Å; I193-C207 HydrophobicContact CD1-CB 4.02Å; C196-C207 HydrophobicContact CB-CB 3.78Å; C196-C207 WeakPolarHBondContact CB-SG 3.45Å; C196-C207 PolarHBondContact N-SG 2.83Å; C196-C207 VanDerWaalsContact N-SG 3.39Å; C196-C207 WeakPolarHBondContact SG-CA 3.18Å; C196-C207 WeakPolarHBondContact SG-CB 3.41Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.3Å |
| 208 | I | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.1 | 174 | 66.4 | 71.8 | 0 | 0 | 0 | 112.3 | V188 R189 I190 L226 S254 G255 Y257 | V188-I208 HydrophobicContact CB-CB 4.38Å; V188-I208 HydrophobicContact CG1-CD1 4.31Å; V188-I208 HydrophobicContact CG2-CG2 4.49Å; R189-I208 CarbonylContact O-C 3.51Å; R189-I208 WeakPolarHBondContact O-CA 3.3Å; R189-I208 WeakPolarHBondContact O-CB 3.11Å; I190-I208 HydrophobicContact CG1-CG2 4.3Å; I208-L226 HydrophobicContact CG2-CD1 4.24Å; I208-L226 HydrophobicContact CG2-CD2 3.89Å; I208-S254 PolarHBondContact O-N 3.01Å; I208-S254 VanDerWaalsContact O-N 3.11Å; I208-G255 PolarHBondContact N-O 3.48Å; I208-Y257 HydrophobicContact CD1-CE2 4.37Å; I208-Y257 HydrophobicContact CG1-CD2 3.87Å; I208-Y257 HydrophobicContact CG1-CE2 3.55Å; I208-Y257 HydrophobicContact CG2-CD2 4.22Å; I208-Y257 HydrophobicContact CG2-CE2 4.45Å |
| 209 | R | 87.6 | Confident | 85.5 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.8 | 164 | -64.2 | -167.6 | 96.6 | 179.4 | 6.4 | 110.1 | V188 R189 V191 | V188-R209 WeakPolarHBondContact CA-O 3.07Å; R189-R209 PolarHBondContact N-O 3.19Å; R189-R209 PolarHBondContact O-N 2.65Å; V191-R209 HydrophobicContact CB-CG 4.45Å; V191-R209 HydrophobicContact CG1-CB 4.08Å; V191-R209 HydrophobicContact CG1-CG 3.82Å; V191-R209 HydrophobicContact CG2-CG 3.84Å |
| 210 | E | 85.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 137.2 | 171.5 | 67.2 | -173.9 | -154.3 | 0 | 0 | 111.6 | Y212 K213 R214 S215 T216 S254 | E210-Y212 WeakPolarHBondContact CB-O 3.4Å; E210-K213 VanDerWaalsContact OE1-CA 3.29Å; E210-K213 WeakPolarHBondContact OE1-CA 3.48Å; E210-R214 PolarHBondContact OE1-N 2.9Å; E210-R214 WeakPolarHBondContact OE2-CA 3.25Å; E210-R214 PolarHBondContact OE2-N 2.78Å; E210-S215 WeakPolarHBondContact CB-O 3.33Å; E210-S215 PolarHBondContact OE2-N 3.26Å; E210-T216 HydrophobicContact CB-CG2 3.96Å; E210-S254 PolarHBondContact N-OG 3.04Å |
| 211 | Y | 87 | Confident | 86.9 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -84.1 | -41.6 | 168.6 | -175.3 | -83.2 | 0 | 0 | 0 | 110.7 | R187 R189 | R187-Y211 HydrophobicContact CB-CD1 4.34Å; R187-Y211 HydrophobicContact CB-CG 4.12Å; R187-Y211 HydrophobicContact CG-CD1 4.25Å; R187-Y211 HydrophobicContact CG-CD2 3.95Å; R187-Y211 HydrophobicContact CG-CG 3.74Å; R187-Y211 WeakPolarHBondContact O-CB 3.48Å; R187-Y211 PolarHBondContact O-N 3.27Å; R189-Y211 HydrophobicContact CG-CD2 3.83Å |
| 212 | Y | 83.3 | Confident | 87.5 | Confident | 54 Ų | 54 | 48.5 Ų | 48.5 | 21% | 0.212 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -101.7 | 139.6 | 173.4 | -64.6 | -73.1 | 0 | 0 | 0 | 109.4 | P24 N30 W36 R187 E210 R214 S215 | P24-Y212 WeakPolarHBondContact CD-OH 3.4Å; P24-Y212 HydrophobicContact CG-CE1 4.44Å; P24-Y212 HydrophobicContact CG-CE2 4.14Å; N30-Y212 VanDerWaalsContact ND2-CB 3.31Å; N30-Y212 WeakPolarHBondContact ND2-CB 3.16Å; W36-Y212 HydrophobicContact CH2-CD2 4.39Å; W36-Y212 AromaticContact CH2-CE2 3.88Å; W36-Y212 HydrophobicContact CH2-CE2 3.88Å; W36-Y212 AromaticContact CZ3-CD2 3.74Å; W36-Y212 HydrophobicContact CZ3-CD2 3.74Å; W36-Y212 AromaticContact CZ3-CE2 3.55Å; W36-Y212 HydrophobicContact CZ3-CE2 3.55Å; R187-Y212 HydrophobicContact CB-CD2 4.29Å; R187-Y212 HydrophobicContact CB-CE2 3.99Å; E210-Y212 WeakPolarHBondContact CB-O 3.4Å; Y212-R214 PolarHBondContact O-N 2.85Å; Y212-S215 WeakPolarHBondContact O-CB 3.29Å; Y212-S215 PolarHBondContact O-N 3.24Å |
| 213 | K | 78.9 | Confident | 88.2 | Confident | 151 Ų | 151 | 43 Ų | 43 | 66% | 0.657 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 134.3 | -176.3 | -158.8 | -172.2 | 176.5 | 171.8 | 0 | 111 | E210 S215 | E210-K213 VanDerWaalsContact OE1-CA 3.29Å; E210-K213 WeakPolarHBondContact OE1-CA 3.48Å; K213-S215 PolarHBondContact O-N 2.99Å |
| 214 | R | 76.4 | Confident | 88.6 | Confident | 98 Ų | 98 | 36.3 Ų | 36.3 | 37% | 0.37 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | -3.7 | -178.6 | -54 | -179.1 | 73.7 | -179 | -6.1 | 115.6 | S33 Y34 E210 Y212 T216 A248 | S33-R214 CarbonylContact O-C 3.31Å; S33-R214 VanDerWaalsContact O-C 3.31Å; Y34-R214 HydrophobicContact CD2-CB 3.12Å; Y34-R214 HydrophobicContact CD2-CG 4.12Å; Y34-R214 HydrophobicContact CE2-CB 3.79Å; Y34-R214 HydrophobicContact CE2-CG 4.36Å; Y34-R214 HydrophobicContact CG-CB 3.61Å; Y34-R214 VanDerWaalsContact CZ-NH1 3.33Å; Y34-R214 PolarHBondContact OH-NH1 3.46Å; Y34-R214 PolarHBondContact OH-NH2 2.94Å; E210-R214 PolarHBondContact OE1-N 2.9Å; E210-R214 WeakPolarHBondContact OE2-CA 3.25Å; E210-R214 PolarHBondContact OE2-N 2.78Å; Y212-R214 PolarHBondContact O-N 2.85Å; R214-T216 PolarHBondContact O-N 2.83Å; R214-A248 HydrophobicContact CB-CB 3.74Å; R214-A248 HydrophobicContact CG-CB 4.39Å; R214-A248 WeakPolarHBondContact O-CB 3.26Å |
| 215 | S | 82.1 | Confident | 89 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -87 | 94.8 | -168.6 | -157.5 | 0 | 0 | 0 | 0 | 113.1 | S33 Y34 G35 T186 E210 Y212 K213 | S33-S215 WeakPolarHBondContact O-CA 3.21Å; Y34-S215 WeakPolarHBondContact O-CB 3.41Å; Y34-S215 PolarHBondContact O-OG 2.83Å; G35-S215 VanDerWaalsContact CA-OG 3.24Å; G35-S215 WeakPolarHBondContact CA-OG 3.49Å; G35-S215 PolarHBondContact N-OG 2.59Å; T186-S215 WeakPolarHBondContact CB-OG 3.2Å; T186-S215 VanDerWaalsContact OG1-CB 3.31Å; T186-S215 WeakPolarHBondContact OG1-CB 3.41Å; T186-S215 PolarHBondContact OG1-OG 2.82Å; E210-S215 WeakPolarHBondContact CB-O 3.33Å; E210-S215 PolarHBondContact OE2-N 3.26Å; Y212-S215 WeakPolarHBondContact O-CB 3.29Å; Y212-S215 PolarHBondContact O-N 3.24Å; K213-S215 PolarHBondContact O-N 2.99Å | ||
| 216 | T | 83.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | trans | -140.7 | 141.3 | -173.6 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | I32 E210 R214 S254 | I32-T216 VanDerWaalsContact CG2-O 3.23Å; I32-T216 WeakPolarHBondContact CG2-O 3.47Å; E210-T216 HydrophobicContact CB-CG2 3.96Å; R214-T216 PolarHBondContact O-N 2.83Å; T216-S254 VanDerWaalsContact CG2-CB 3.49Å | ||
| 217 | P | 87.7 | Confident | 89.3 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | trans | -51 | 152.4 | 167.2 | -22.3 | 32.7 | 0 | 0 | 0 | 111.8 | A168 D221 L240 A243 Y257 | A168-P217 HydrophobicContact CB-CG 3.49Å; A168-P217 VanDerWaalsContact CB-CG 3.49Å; P217-D221 WeakPolarHBondContact CA-OD2 3.47Å; P217-D221 HydrophobicContact CB-CB 3.99Å; P217-L240 HydrophobicContact CB-CD2 3.61Å; P217-A243 WeakPolarHBondContact O-CB 3.32Å; P217-Y257 WeakPolarHBondContact CG-OH 3.47Å | ||
| 218 | C | 87.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -141.3 | -166.2 | 179 | -150.4 | 0 | 0 | 0 | 0 | 113.7 | R173 G220 D221 C247 | R173-C218 HydrophobicContact CB-CB 4.45Å; C218-G220 PolarHBondContact O-N 3.43Å; C218-D221 PolarHBondContact N-OD2 2.93Å; C218-D221 VanDerWaalsContact O-CB 3.3Å; C218-D221 WeakPolarHBondContact O-CB 3.42Å; C218-D221 PolarHBondContact O-N 2.89Å; C218-C247 HydrophobicContact CB-CB 3.78Å; C218-C247 WeakPolarHBondContact CB-SG 3.05Å; C218-C247 WeakPolarHBondContact SG-CA 3.45Å; C218-C247 WeakPolarHBondContact SG-CB 3.49Å; C218-C247 CovalentContact SG-SG 2Å; C218-C247 PolarHBondContact SG-SG 2.87Å | ||
| 219 | V | 87.8 | Confident | 89.7 | Confident | 78 Ų | 78 | 33.4 Ų | 33.4 | 47% | 0.473 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 124.4 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | G172 R173 | G172-V219 CarbonylContact C-O 3.34Å; G172-V219 WeakPolarHBondContact CA-O 3.33Å; R173-V219 HydrophobicContact CB-CB 4.32Å; R173-V219 PolarHBondContact N-O 3.4Å |
| 220 | G | 90 | Very high | 90 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -18.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N59 C60 A61 C218 S222 | N59-G220 WeakPolarHBondContact O-CA 3.27Å; C60-G220 CarbonylContact C-O 3.49Å; C60-G220 VanDerWaalsContact C-O 3.32Å; C60-G220 WeakPolarHBondContact CA-O 3.46Å; A61-G220 PolarHBondContact N-O 2.89Å; C218-G220 PolarHBondContact O-N 3.43Å; G220-S222 VanDerWaalsContact C-N 3.31Å |
| 221 | D | 94.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | trans | -84.6 | -5.7 | 172.3 | -62.1 | -41.6 | 0 | 0 | 0 | 112.8 | G170 W171 G172 P217 C218 G223 G224 L240 | G170-D221 VanDerWaalsContact C-OD1 3.29Å; G170-D221 WeakPolarHBondContact CA-OD1 3.5Å; W171-D221 PolarHBondContact N-OD1 3.16Å; G172-D221 VanDerWaalsContact CA-OD1 3.32Å; G172-D221 WeakPolarHBondContact CA-OD1 3.48Å; G172-D221 PolarHBondContact N-OD1 3.24Å; P217-D221 WeakPolarHBondContact CA-OD2 3.47Å; P217-D221 HydrophobicContact CB-CB 3.99Å; C218-D221 PolarHBondContact N-OD2 2.93Å; C218-D221 VanDerWaalsContact O-CB 3.3Å; C218-D221 WeakPolarHBondContact O-CB 3.42Å; C218-D221 PolarHBondContact O-N 2.89Å; D221-G223 PolarHBondContact O-N 3.44Å; D221-G224 WeakPolarHBondContact O-CA 3.38Å; D221-G224 PolarHBondContact O-N 2.92Å; D221-L240 HydrophobicContact CB-CD2 3.7Å; D221-L240 WeakPolarHBondContact O-CD2 3.49Å | ||
| 222 | S | 95.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 134.5 | -179.8 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | C60 A61 H81 G220 G224 | C60-S222 WeakPolarHBondContact CB-O 3.47Å; A61-S222 CarbonylContact C-O 3.57Å; A61-S222 PolarHBondContact N-O 2.9Å; H81-S222 VanDerWaalsContact CE1-CB 3.41Å; H81-S222 WeakPolarHBondContact CE1-CB 3.27Å; H81-S222 PolarHBondContact CE1-OG 3.21Å; H81-S222 VanDerWaalsContact CE1-OG 3.23Å; H81-S222 WeakPolarHBondContact NE2-CB 3.16Å; H81-S222 PolarHBondContact NE2-OG 2.83Å; G220-S222 VanDerWaalsContact C-N 3.31Å; S222-G224 PolarHBondContact O-N 3.23Å |
| 223 | G | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -8.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | A61 F63 D221 S239 L240 | A61-G223 CarbonylContact O-C 3.59Å; A61-G223 VanDerWaalsContact O-C 3.3Å; A61-G223 WeakPolarHBondContact O-CA 2.81Å; F63-G223 WeakPolarHBondContact CD1-O 3.02Å; F63-G223 WeakPolarHBondContact CE1-O 3.37Å; D221-G223 PolarHBondContact O-N 3.44Å; G223-S239 PolarHBondContact O-OG 3.28Å; G223-L240 PolarHBondContact N-O 2.85Å |
| 224 | G | 97.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | -65.2 | 152.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D221 S222 L240 | D221-G224 WeakPolarHBondContact O-CA 3.38Å; D221-G224 PolarHBondContact O-N 2.92Å; S222-G224 PolarHBondContact O-N 3.23Å; G224-L240 PolarHBondContact O-N 3.44Å | ||
| 225 | P | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.6 | -176.5 | 29.7 | -31.6 | 0 | 0 | 0 | 111.8 | M46 F63 F227 A236 G238 | M46-P225 VanDerWaalsContact SD-CD 3.57Å; M46-P225 HydrophobicContact SD-CG 3.6Å; F63-P225 HydrophobicContact CB-CB 4.23Å; F63-P225 HydrophobicContact CB-CG 3.95Å; F63-P225 HydrophobicContact CD1-CB 3.57Å; F63-P225 HydrophobicContact CD1-CG 3.96Å; F63-P225 HydrophobicContact CD2-CB 4.47Å; F63-P225 HydrophobicContact CE1-CB 3.96Å; F63-P225 HydrophobicContact CG-CB 3.85Å; F63-P225 HydrophobicContact CG-CG 4.11Å; P225-F227 HydrophobicContact CB-CB 4.45Å; P225-F227 HydrophobicContact CB-CD1 4.39Å; P225-F227 HydrophobicContact CG-CD1 4.07Å; P225-A236 HydrophobicContact CB-CB 4.37Å; P225-G238 CarbonylContact C-O 3.19Å; P225-G238 WeakPolarHBondContact CA-O 3.31Å |
| 226 | L | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 104.3 | 148.8 | 172.9 | 68.3 | 0 | 0 | 0 | 106.7 | C166 F167 V188 I190 L206 I208 A236 F237 G238 Y257 | C166-L226 HydrophobicContact CB-CD1 3.91Å; F167-L226 WeakPolarHBondContact O-CA 3.09Å; V188-L226 HydrophobicContact CG2-CD1 3.32Å; I190-L226 HydrophobicContact CD1-CD2 4.08Å; I190-L226 HydrophobicContact CG1-CD2 4.09Å; L206-L226 HydrophobicContact CD1-CD2 3.98Å; I208-L226 HydrophobicContact CG2-CD1 4.24Å; I208-L226 HydrophobicContact CG2-CD2 3.89Å; L226-A236 CarbonylContact O-C 3.52Å; L226-F237 HydrophobicContact CD2-CB 4.3Å; L226-F237 HydrophobicContact CG-CB 4.35Å; L226-F237 PolarHBondContact O-N 3.41Å; L226-G238 PolarHBondContact N-O 3.04Å; L226-G238 PolarHBondContact O-N 2.57Å; L226-Y257 HydrophobicContact CB-CD1 3.42Å; L226-Y257 VanDerWaalsContact CB-CD1 3.42Å; L226-Y257 HydrophobicContact CB-CE1 3.46Å; L226-Y257 VanDerWaalsContact CB-CE1 3.46Å; L226-Y257 HydrophobicContact CB-CG 4.07Å; L226-Y257 HydrophobicContact CD2-CG 4.41Å |
| 227 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.1 | -176.1 | 59.7 | -82 | 0 | 0 | 0 | 112 | L43 W45 I151 C166 F167 A169 P225 Y234 F235 | L43-F227 HydrophobicContact CD1-CZ 4.13Å; L43-F227 HydrophobicContact CD2-CE2 3.74Å; L43-F227 HydrophobicContact CD2-CZ 3.65Å; W45-F227 AromaticContact CZ2-CD2 3.98Å; W45-F227 HydrophobicContact CZ2-CD2 3.98Å; W45-F227 HydrophobicContact CZ2-CE2 4.19Å; W45-F227 HydrophobicContact CZ2-CG 4.43Å; I151-F227 HydrophobicContact CD1-CB 3.41Å; I151-F227 VanDerWaalsContact CD1-CB 3.41Å; I151-F227 HydrophobicContact CD1-CG 4.41Å; C166-F227 CarbonylContact C-O 3.5Å; C166-F227 WeakPolarHBondContact CA-O 3.16Å; F167-F227 HydrophobicContact CB-CD1 4.25Å; F167-F227 HydrophobicContact CB-CD2 4Å; F167-F227 HydrophobicContact CB-CE1 3.75Å; F167-F227 HydrophobicContact CB-CE2 3.48Å; F167-F227 VanDerWaalsContact CB-CE2 3.48Å; F167-F227 HydrophobicContact CB-CG 4.37Å; F167-F227 HydrophobicContact CB-CZ 3.35Å; F167-F227 HydrophobicContact CD2-CD2 4.29Å; F167-F227 AromaticContact CD2-CE2 3.99Å; F167-F227 HydrophobicContact CD2-CE2 3.99Å; F167-F227 AromaticContact CG-CE2 4Å; F167-F227 HydrophobicContact CG-CE2 4Å; F167-F227 HydrophobicContact CG-CZ 4.23Å; F167-F227 PolarHBondContact N-O 3.2Å; F167-F227 WeakPolarHBondContact O-CD1 3.22Å; F167-F227 PolarHBondContact O-N 2.76Å; A169-F227 HydrophobicContact CB-CE1 3.76Å; A169-F227 HydrophobicContact CB-CZ 4.2Å; P225-F227 HydrophobicContact CB-CB 4.45Å; P225-F227 HydrophobicContact CB-CD1 4.39Å; P225-F227 HydrophobicContact CG-CD1 4.07Å; F227-Y234 AromaticContact CD2-CD1 3.69Å; F227-Y234 HydrophobicContact CD2-CD1 3.69Å; F227-Y234 HydrophobicContact CD2-CE1 4.07Å; F227-Y234 HydrophobicContact CD2-CG 4.47Å; F227-Y234 HydrophobicContact CE2-CD1 4.37Å; F227-Y234 HydrophobicContact CE2-CE1 4.35Å; F227-F235 CarbonylContact C-O 3.49Å; F227-F235 VanDerWaalsContact CA-O 3.25Å; F227-F235 WeakPolarHBondContact CA-O 3.36Å |
| 228 | C | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.1 | -178.8 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | T165 C166 Y234 F235 F237 | T165-C228 WeakPolarHBondContact O-CA 3.43Å; C166-C228 HydrophobicContact CB-CB 4.12Å; C166-C228 WeakPolarHBondContact CB-SG 3.43Å; C166-C228 WeakPolarHBondContact SG-CB 3.05Å; C166-C228 CovalentContact SG-SG 2.04Å; C166-C228 PolarHBondContact SG-SG 3.38Å; C228-Y234 WeakPolarHBondContact O-CA 3.2Å; C228-F235 PolarHBondContact N-O 3.25Å; C228-F235 PolarHBondContact O-N 3.13Å; C228-F237 HydrophobicContact CB-CD1 3.88Å; C228-F237 HydrophobicContact CB-CD2 4.13Å; C228-F237 HydrophobicContact CB-CE1 3.94Å; C228-F237 HydrophobicContact CB-CE2 4.17Å; C228-F237 HydrophobicContact CB-CG 4Å; C228-F237 HydrophobicContact CB-CZ 4.08Å; C228-F237 VanDerWaalsContact SG-CD2 3.51Å; C228-F237 WeakPolarHBondContact SG-CG 3.46Å |
| 229 | E | 93.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 22.4 Ų | 22.4 | 21% | 0.21 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.4 | 175.8 | -169.6 | -179.3 | -167.9 | 0 | 0 | 110.3 | K22 T165 R233 Y234 | K22-E229 VanDerWaalsContact CE-OE2 3.23Å; K22-E229 WeakPolarHBondContact CE-OE2 3.36Å; K22-E229 IonicContact NZ-OE1 3.54Å; K22-E229 PolarHBondContact NZ-OE1 3.4Å; K22-E229 IonicContact NZ-OE2 2.81Å; K22-E229 PolarHBondContact NZ-OE2 3.11Å; T165-E229 PolarHBondContact O-N 2.97Å; E229-R233 CarbonylContact C-O 3.42Å; E229-R233 WeakPolarHBondContact CA-O 3.31Å; E229-Y234 HydrophobicContact CB-CD1 4.11Å; E229-Y234 HydrophobicContact CB-CE1 3.82Å; E229-Y234 HydrophobicContact CG-CE1 4.34Å |
| 230 | V | 92.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.024 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 119.7 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | T158 R161 A162 G232 R233 F235 F237 | T158-V230 HydrophobicContact CG2-CB 4.26Å; T158-V230 HydrophobicContact CG2-CG1 4.25Å; T158-V230 HydrophobicContact CG2-CG2 4.05Å; R161-V230 HydrophobicContact CB-CG1 3.92Å; A162-V230 HydrophobicContact CB-CG2 4.36Å; V230-G232 PolarHBondContact O-N 2.69Å; V230-G232 VanDerWaalsContact O-N 3.15Å; V230-R233 PolarHBondContact N-O 3.06Å; V230-R233 PolarHBondContact O-N 3.32Å; V230-F235 HydrophobicContact CB-CD2 3.93Å; V230-F235 HydrophobicContact CB-CE2 3.95Å; V230-F235 HydrophobicContact CG2-CD2 4.13Å; V230-F237 HydrophobicContact CG2-CE1 4.07Å; V230-F237 HydrophobicContact CG2-CZ 3.89Å |
| 231 | D | 89.1 | Confident | 95.4 | Very high | 121 Ų | 121 | 18.3 Ų | 18.3 | 65% | 0.647 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.3 | 179.1 | -52.9 | -35.4 | 0 | 0 | 0 | 114.2 | R161 | R161-D231 IonicContact CZ-OD2 2.91Å; R161-D231 IonicContact NH1-OD2 2.7Å; R161-D231 PolarHBondContact NH1-OD2 2.79Å; R161-D231 IonicContact NH2-OD2 3.29Å |
| 232 | G | 89.4 | Confident | 95.2 | Very high | 49 Ų | 49 | 21.5 Ų | 21.5 | 51% | 0.505 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 9.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | V230 | V230-G232 PolarHBondContact O-N 2.69Å; V230-G232 VanDerWaalsContact O-N 3.15Å |
| 233 | R | 93 | Very high | 94.5 | Very high | 102 Ų | 102 | 22.2 Ų | 22.2 | 39% | 0.385 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.8 | 173.5 | -59.1 | -172.3 | 179.4 | -171.3 | -3.1 | 111.6 | G14 I15 E229 V230 F235 | G14-R233 WeakPolarHBondContact O-CA 3.2Å; I15-R233 HydrophobicContact CD1-CG 4.08Å; I15-R233 HydrophobicContact CG1-CG 3.85Å; E229-R233 CarbonylContact C-O 3.42Å; E229-R233 WeakPolarHBondContact CA-O 3.31Å; V230-R233 PolarHBondContact N-O 3.06Å; V230-R233 PolarHBondContact O-N 3.32Å; R233-F235 HydrophobicContact CB-CD2 4.42Å; R233-F235 HydrophobicContact CB-CE2 3.8Å; R233-F235 HydrophobicContact CB-CZ 4.48Å |
| 234 | Y | 96.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.6 | 174.7 | -68.9 | -83 | 0 | 0 | 0 | 112.2 | G14 P16 P20 W45 I151 C152 F227 C228 E229 | G14-Y234 VanDerWaalsContact CA-O 3.3Å; G14-Y234 WeakPolarHBondContact CA-O 3.37Å; G14-Y234 PolarHBondContact O-N 3.27Å; P16-Y234 HydrophobicContact CG-CD2 4.39Å; P16-Y234 HydrophobicContact CG-CE2 4.34Å; P20-Y234 HydrophobicContact CG-CE2 3.86Å; W45-Y234 AromaticContact CH2-CD2 3.68Å; W45-Y234 HydrophobicContact CH2-CD2 3.68Å; W45-Y234 HydrophobicContact CH2-CE2 4.44Å; W45-Y234 AromaticContact CH2-CG 3.74Å; W45-Y234 HydrophobicContact CH2-CG 3.74Å; W45-Y234 HydrophobicContact CZ2-CG 4.21Å; W45-Y234 HydrophobicContact CZ3-CD2 4.41Å; I151-Y234 VanDerWaalsContact CG1-O 3.3Å; I151-Y234 WeakPolarHBondContact CG1-O 3.38Å; C152-Y234 WeakPolarHBondContact CB-O 3.48Å; C152-Y234 PolarHBondContact N-O 2.76Å; F227-Y234 AromaticContact CD2-CD1 3.69Å; F227-Y234 HydrophobicContact CD2-CD1 3.69Å; F227-Y234 HydrophobicContact CD2-CE1 4.07Å; F227-Y234 HydrophobicContact CD2-CG 4.47Å; F227-Y234 HydrophobicContact CE2-CD1 4.37Å; F227-Y234 HydrophobicContact CE2-CE1 4.35Å; C228-Y234 WeakPolarHBondContact O-CA 3.2Å; E229-Y234 HydrophobicContact CB-CD1 4.11Å; E229-Y234 HydrophobicContact CB-CE1 3.82Å; E229-Y234 HydrophobicContact CG-CE1 4.34Å |
| 235 | F | 97 | Very high | 91.6 | Very high | 26 Ų | 26 | 29 Ų | 29 | 11% | 0.114 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.9 | 179.3 | -70.4 | -96.9 | 0 | 0 | 0 | 110.7 | C152 L153 T158 F227 C228 V230 R233 F237 | C152-F235 HydrophobicContact CB-CD1 3.22Å; C152-F235 HydrophobicContact CB-CD2 4.42Å; C152-F235 HydrophobicContact CB-CE1 3.35Å; C152-F235 HydrophobicContact CB-CG 3.81Å; C152-F235 HydrophobicContact CB-CZ 4.02Å; C152-F235 CarbonylContact O-C 2.65Å; C152-F235 VanDerWaalsContact O-CA 3.29Å; C152-F235 WeakPolarHBondContact O-CA 3.38Å; L153-F235 WeakPolarHBondContact O-CD1 3.25Å; T158-F235 HydrophobicContact CG2-CB 4.39Å; T158-F235 HydrophobicContact CG2-CD1 3.64Å; T158-F235 HydrophobicContact CG2-CD2 3.81Å; T158-F235 HydrophobicContact CG2-CE1 3.73Å; T158-F235 HydrophobicContact CG2-CE2 3.89Å; T158-F235 HydrophobicContact CG2-CG 3.69Å; T158-F235 HydrophobicContact CG2-CZ 3.85Å; F227-F235 CarbonylContact C-O 3.49Å; F227-F235 VanDerWaalsContact CA-O 3.25Å; F227-F235 WeakPolarHBondContact CA-O 3.36Å; C228-F235 PolarHBondContact N-O 3.25Å; C228-F235 PolarHBondContact O-N 3.13Å; V230-F235 HydrophobicContact CB-CD2 3.93Å; V230-F235 HydrophobicContact CB-CE2 3.95Å; V230-F235 HydrophobicContact CG2-CD2 4.13Å; R233-F235 HydrophobicContact CB-CD2 4.42Å; R233-F235 HydrophobicContact CB-CE2 3.8Å; R233-F235 HydrophobicContact CB-CZ 4.48Å; F235-F237 HydrophobicContact CB-CD1 3.79Å; F235-F237 HydrophobicContact CB-CE1 3.63Å; F235-F237 HydrophobicContact CG-CE1 4.46Å; F235-F237 PolarHBondContact O-N 3.03Å; F235-F237 VanDerWaalsContact O-N 3.13Å |
| 236 | A | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 86.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F63 I151 C152 P154 P225 L226 G238 M260 | F63-A236 HydrophobicContact CD2-CB 3.96Å; F63-A236 HydrophobicContact CE2-CB 3.44Å; F63-A236 VanDerWaalsContact CE2-CB 3.44Å; F63-A236 HydrophobicContact CZ-CB 3.89Å; I151-A236 HydrophobicContact CD1-CB 4.06Å; I151-A236 HydrophobicContact CG1-CB 4.38Å; I151-A236 HydrophobicContact CG2-CB 3.85Å; C152-A236 PolarHBondContact O-N 3.26Å; P154-A236 WeakPolarHBondContact CD-O 3.32Å; P154-A236 WeakPolarHBondContact CG-O 3.15Å; P225-A236 HydrophobicContact CB-CB 4.37Å; L226-A236 CarbonylContact O-C 3.52Å; A236-G238 VanDerWaalsContact C-N 3.26Å; A236-G238 PolarHBondContact O-N 3.49Å; A236-M260 WeakPolarHBondContact O-CB 3.37Å; A236-M260 VanDerWaalsContact O-CG 3.3Å; A236-M260 WeakPolarHBondContact O-CG 3.24Å |
| 237 | F | 96.9 | Very high | 89 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -29.5 | 179.9 | -85.1 | 39.1 | 0 | 0 | 0 | 112.5 | P154 T158 V159 A162 I190 L206 L226 C228 V230 F235 M260 | P154-F237 HydrophobicContact CB-CD1 4.17Å; P154-F237 HydrophobicContact CB-CE1 4.32Å; T158-F237 HydrophobicContact CG2-CE1 4.2Å; T158-F237 HydrophobicContact CG2-CZ 4.48Å; V159-F237 HydrophobicContact CB-CE2 4.07Å; V159-F237 HydrophobicContact CB-CZ 4.34Å; V159-F237 HydrophobicContact CG1-CD2 4.3Å; V159-F237 HydrophobicContact CG1-CE2 3.93Å; V159-F237 HydrophobicContact CG2-CD2 4.17Å; V159-F237 HydrophobicContact CG2-CE1 4.45Å; V159-F237 HydrophobicContact CG2-CE2 3.93Å; V159-F237 HydrophobicContact CG2-CZ 4.08Å; A162-F237 HydrophobicContact CB-CE2 3.42Å; A162-F237 VanDerWaalsContact CB-CE2 3.42Å; A162-F237 HydrophobicContact CB-CZ 3.59Å; I190-F237 HydrophobicContact CD1-CD2 4.07Å; L206-F237 HydrophobicContact CD1-CB 4.32Å; L206-F237 VanDerWaalsContact CD1-O 3.27Å; L206-F237 WeakPolarHBondContact CD1-O 3.33Å; L226-F237 HydrophobicContact CD2-CB 4.3Å; L226-F237 HydrophobicContact CG-CB 4.35Å; L226-F237 PolarHBondContact O-N 3.41Å; C228-F237 HydrophobicContact CB-CD1 3.88Å; C228-F237 HydrophobicContact CB-CD2 4.13Å; C228-F237 HydrophobicContact CB-CE1 3.94Å; C228-F237 HydrophobicContact CB-CE2 4.17Å; C228-F237 HydrophobicContact CB-CG 4Å; C228-F237 HydrophobicContact CB-CZ 4.08Å; C228-F237 VanDerWaalsContact SG-CD2 3.51Å; C228-F237 WeakPolarHBondContact SG-CG 3.46Å; V230-F237 HydrophobicContact CG2-CE1 4.07Å; V230-F237 HydrophobicContact CG2-CZ 3.89Å; F235-F237 HydrophobicContact CB-CD1 3.79Å; F235-F237 HydrophobicContact CB-CE1 3.63Å; F235-F237 HydrophobicContact CG-CE1 4.46Å; F235-F237 PolarHBondContact O-N 3.03Å; F235-F237 VanDerWaalsContact O-N 3.13Å; F237-M260 WeakPolarHBondContact O-CB 3.37Å; F237-M260 PolarHBondContact O-N 3.46Å |
| 238 | G | 96.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P225 L226 A236 V258 | P225-G238 CarbonylContact C-O 3.19Å; P225-G238 WeakPolarHBondContact CA-O 3.31Å; L226-G238 PolarHBondContact N-O 3.04Å; L226-G238 PolarHBondContact O-N 2.57Å; A236-G238 VanDerWaalsContact C-N 3.26Å; A236-G238 PolarHBondContact O-N 3.49Å; G238-V258 WeakPolarHBondContact CA-O 3.37Å |
| 239 | S | 97.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.6 | 166.2 | 177 | 0 | 0 | 0 | 0 | 108.9 | G223 S241 Y257 V258 | G223-S239 PolarHBondContact O-OG 3.28Å; S239-S241 PolarHBondContact O-N 3.49Å; S239-Y257 CarbonylContact O-C 3.31Å; S239-Y257 VanDerWaalsContact O-CA 3.25Å; S239-Y257 WeakPolarHBondContact O-CA 3.27Å; S239-V258 PolarHBondContact N-O 3.25Å; S239-V258 PolarHBondContact O-N 3.27Å |
| 240 | L | 96.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 123.7 | -174.6 | 179.9 | 63.4 | 0 | 0 | 0 | 110.3 | P217 D221 G223 G224 L242 A243 Y257 | P217-L240 HydrophobicContact CB-CD2 3.61Å; D221-L240 HydrophobicContact CB-CD2 3.7Å; D221-L240 WeakPolarHBondContact O-CD2 3.49Å; G223-L240 PolarHBondContact N-O 2.85Å; G224-L240 PolarHBondContact O-N 3.44Å; L240-L242 WeakPolarHBondContact CD1-O 3.3Å; L240-A243 HydrophobicContact CD1-CB 4.38Å; L240-A243 HydrophobicContact CD2-CB 4.4Å; L240-Y257 VanDerWaalsContact CA-CD1 3.45Å; L240-Y257 VanDerWaalsContact CA-CE1 3.49Å; L240-Y257 HydrophobicContact CB-CD1 4.06Å; L240-Y257 HydrophobicContact CB-CE1 3.54Å; L240-Y257 HydrophobicContact CB-CE2 4.47Å; L240-Y257 HydrophobicContact CD1-CD2 4.01Å; L240-Y257 HydrophobicContact CD1-CE1 4.11Å; L240-Y257 HydrophobicContact CD1-CE2 3.44Å; L240-Y257 VanDerWaalsContact CD1-CE2 3.44Å; L240-Y257 HydrophobicContact CG-CE1 4.4Å |
| 241 | S | 94.4 | Very high | 82.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -54.8 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | H81 D132 S239 L256 | H81-S241 PolarHBondContact CE1-O 3.24Å; D132-S241 WeakPolarHBondContact CB-OG 3.19Å; D132-S241 VanDerWaalsContact OD2-CA 3.26Å; D132-S241 WeakPolarHBondContact OD2-CA 3.35Å; D132-S241 WeakPolarHBondContact OD2-CB 3.28Å; D132-S241 PolarHBondContact OD2-OG 3.49Å; S239-S241 PolarHBondContact O-N 3.49Å; S241-L256 PolarHBondContact N-O 3.29Å |
| 242 | L | 89.3 | Confident | 80.6 | Confident | 69 Ų | 69 | 50 Ų | 50 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.3 | -179.5 | -65.7 | 170.3 | 0 | 0 | 0 | 111.3 | D129 L240 G255 L256 | D129-L242 HydrophobicContact CB-CD1 4.43Å; D129-L242 HydrophobicContact CB-CD2 4.45Å; D129-L242 HydrophobicContact CB-CG 4.4Å; D129-L242 WeakPolarHBondContact OD2-CD2 3.34Å; L240-L242 WeakPolarHBondContact CD1-O 3.3Å; L242-G255 CarbonylContact O-C 3.14Å; L242-G255 WeakPolarHBondContact O-CA 3.03Å; L242-L256 HydrophobicContact CB-CB 3.94Å; L242-L256 HydrophobicContact CD1-CB 4.46Å; L242-L256 HydrophobicContact CD1-CD2 4.04Å; L242-L256 PolarHBondContact N-O 3.27Å; L242-L256 PolarHBondContact O-N 2.99Å |
| 243 | A | 81.7 | Confident | 79.2 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | trans | -129.1 | 157.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P217 L240 T245 | P217-A243 WeakPolarHBondContact O-CB 3.32Å; L240-A243 HydrophobicContact CD1-CB 4.38Å; L240-A243 HydrophobicContact CD2-CB 4.4Å; A243-T245 PolarHBondContact O-N 3.38Å | ||
| 244 | P | 69.4 | Low | 78.3 | Confident | 24 Ų | 24 | 45 Ų | 45 | 16% | 0.156 | 25% | 0.246 | C | C | . | . | trans | -57.5 | 129.2 | 177 | -24 | 32.1 | 0 | 0 | 0 | 111.8 | K246 C247 S254 | P244-K246 PolarHBondContact O-N 3.03Å; P244-K246 VanDerWaalsContact O-N 3.17Å; P244-C247 PolarHBondContact O-N 3.5Å; P244-S254 WeakPolarHBondContact CD-O 3.25Å | ||
| 245 | T | 65 | Low | 77.9 | Confident | 122 Ų | 122 | 44.9 Ų | 44.9 | 75% | 0.748 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31 | -175.2 | -23.7 | 0 | 0 | 0 | 0 | 113.2 | A243 | A243-T245 PolarHBondContact O-N 3.38Š|
| 246 | K | 66.7 | Low | 77.7 | Confident | 155 Ų | 155 | 44.1 Ų | 44.1 | 67% | 0.674 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 23 | -178.8 | -67 | -170.9 | 179.9 | 178.8 | 0 | 114.4 | P244 Q249 | P244-K246 PolarHBondContact O-N 3.03Å; P244-K246 VanDerWaalsContact O-N 3.17Å; K246-Q249 HydrophobicContact CB-CB 4.44Å |
| 247 | C | 72.6 | Confident | 77.5 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 36.8 | 87.4 | 176.6 | -46.6 | 0 | 0 | 0 | 0 | 113.8 | S33 R173 C218 P244 | S33-C247 PolarHBondContact OG-O 2.61Å; R173-C247 VanDerWaalsContact CD-SG 3.54Å; C218-C247 HydrophobicContact CB-CB 3.78Å; C218-C247 WeakPolarHBondContact CB-SG 3.05Å; C218-C247 WeakPolarHBondContact SG-CA 3.45Å; C218-C247 WeakPolarHBondContact SG-CB 3.49Å; C218-C247 CovalentContact SG-SG 2Å; C218-C247 PolarHBondContact SG-SG 2.87Å; P244-C247 PolarHBondContact O-N 3.5Å |
| 248 | A | 61.6 | Low | 77.5 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 90.1 | 32.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | S33 Y34 R214 | S33-A248 WeakPolarHBondContact OG-CB 3.11Å; Y34-A248 HydrophobicContact CD2-CB 4.32Å; Y34-A248 HydrophobicContact CE2-CB 4.47Å; R214-A248 HydrophobicContact CB-CB 3.74Å; R214-A248 HydrophobicContact CG-CB 4.39Å; R214-A248 WeakPolarHBondContact O-CB 3.26Å |
| 249 | Q | 57.7 | Low | 77.4 | Confident | 117 Ų | 117 | 47.3 Ų | 47.3 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | trans | -73.7 | 137.6 | 168 | -156.8 | 167.9 | -7.1 | 0 | 0 | 110.7 | K246 | K246-Q249 HydrophobicContact CB-CB 4.44Š| ||
| 250 | Q | 56.7 | Low | 77.4 | Confident | 127 Ų | 127 | 47.3 Ų | 47.3 | 59% | 0.593 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -77 | -28.3 | -164.1 | -71.4 | -177 | -3.3 | 0 | 0 | 115.6 | G252 | Q250-G252 PolarHBondContact O-N 3.11Š|
| 251 | D | 58.8 | Low | 77.3 | Confident | 159 Ų | 159 | 48 Ų | 48 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -104.2 | 39.2 | -160.7 | -61.8 | -39.7 | 0 | 0 | 0 | 114.6 | ||
| 252 | G | 59.1 | Low | 77.3 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -156.5 | 173 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q250 | Q250-G252 PolarHBondContact O-N 3.11Š|
| 253 | P | 59.1 | Low | 77.6 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | trans | -55.3 | 140.7 | 163.1 | 29.4 | -39.4 | 0 | 0 | 0 | 110.2 | Y195 C196 G255 | Y195-P253 WeakPolarHBondContact O-CD 3.25Å; C196-P253 HydrophobicContact CB-CB 4.13Å; C196-P253 HydrophobicContact CB-CG 4.33Å; C196-P253 WeakPolarHBondContact SG-CB 3.49Å; P253-G255 VanDerWaalsContact C-N 3.31Å; P253-G255 PolarHBondContact O-N 2.68Å | ||
| 254 | S | 74.8 | Confident | 78.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -82 | -10.1 | -175.6 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | I208 E210 T216 P244 | I208-S254 PolarHBondContact O-N 3.01Å; I208-S254 VanDerWaalsContact O-N 3.11Å; E210-S254 PolarHBondContact N-OG 3.04Å; T216-S254 VanDerWaalsContact CG2-CB 3.49Å; P244-S254 WeakPolarHBondContact CD-O 3.25Å |
| 255 | G | 87.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | 152.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I208 L242 P253 | I208-G255 PolarHBondContact N-O 3.48Å; L242-G255 CarbonylContact O-C 3.14Å; L242-G255 WeakPolarHBondContact O-CA 3.03Å; P253-G255 VanDerWaalsContact C-N 3.31Å; P253-G255 PolarHBondContact O-N 2.68Å |
| 256 | L | 92.1 | Very high | 80.7 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.1 | 173.6 | -163.2 | 74.8 | 0 | 0 | 0 | 109.2 | I193 C196 A205 S241 L242 | I193-L256 HydrophobicContact CD1-CD1 3.81Å; C196-L256 HydrophobicContact CB-CD1 3.95Å; A205-L256 HydrophobicContact CB-CD1 3.85Å; A205-L256 HydrophobicContact CB-CD2 4.37Å; A205-L256 HydrophobicContact CB-CG 4.09Å; S241-L256 PolarHBondContact N-O 3.29Å; L242-L256 HydrophobicContact CB-CB 3.94Å; L242-L256 HydrophobicContact CD1-CB 4.46Å; L242-L256 HydrophobicContact CD1-CD2 4.04Å; L242-L256 PolarHBondContact N-O 3.27Å; L242-L256 PolarHBondContact O-N 2.99Å |
| 257 | Y | 94.9 | Very high | 82.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.6 | 177 | -77 | -107.3 | 0 | 0 | 0 | 109.8 | A168 A205 L206 I208 P217 L226 S239 L240 | A168-Y257 WeakPolarHBondContact CB-OH 3.4Å; A205-Y257 CarbonylContact C-O 3.56Å; A205-Y257 WeakPolarHBondContact CA-O 3.44Å; L206-Y257 PolarHBondContact N-O 3.37Å; L206-Y257 PolarHBondContact O-N 3.32Å; I208-Y257 HydrophobicContact CD1-CE2 4.37Å; I208-Y257 HydrophobicContact CG1-CD2 3.87Å; I208-Y257 HydrophobicContact CG1-CE2 3.55Å; I208-Y257 HydrophobicContact CG2-CD2 4.22Å; I208-Y257 HydrophobicContact CG2-CE2 4.45Å; P217-Y257 WeakPolarHBondContact CG-OH 3.47Å; L226-Y257 HydrophobicContact CB-CD1 3.42Å; L226-Y257 VanDerWaalsContact CB-CD1 3.42Å; L226-Y257 HydrophobicContact CB-CE1 3.46Å; L226-Y257 VanDerWaalsContact CB-CE1 3.46Å; L226-Y257 HydrophobicContact CB-CG 4.07Å; L226-Y257 HydrophobicContact CD2-CG 4.41Å; S239-Y257 CarbonylContact O-C 3.31Å; S239-Y257 VanDerWaalsContact O-CA 3.25Å; S239-Y257 WeakPolarHBondContact O-CA 3.27Å; L240-Y257 VanDerWaalsContact CA-CD1 3.45Å; L240-Y257 VanDerWaalsContact CA-CE1 3.49Å; L240-Y257 HydrophobicContact CB-CD1 4.06Å; L240-Y257 HydrophobicContact CB-CE1 3.54Å; L240-Y257 HydrophobicContact CB-CE2 4.47Å; L240-Y257 HydrophobicContact CD1-CD2 4.01Å; L240-Y257 HydrophobicContact CD1-CE1 4.11Å; L240-Y257 HydrophobicContact CD1-CE2 3.44Å; L240-Y257 VanDerWaalsContact CD1-CE2 3.44Å; L240-Y257 HydrophobicContact CG-CE1 4.4Å |
| 258 | V | 95.8 | Very high | 83.2 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 135.8 | 164 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | D132 I133 G238 S239 M260 Y263 | D132-V258 HydrophobicContact CB-CG2 4.23Å; D132-V258 VanDerWaalsContact O-CG2 3.29Å; D132-V258 WeakPolarHBondContact O-CG2 3.34Å; I133-V258 HydrophobicContact CB-CG1 4.36Å; I133-V258 HydrophobicContact CB-CG2 4.5Å; I133-V258 HydrophobicContact CD1-CG1 4.37Å; G238-V258 WeakPolarHBondContact CA-O 3.37Å; S239-V258 PolarHBondContact N-O 3.25Å; S239-V258 PolarHBondContact O-N 3.27Å; V258-M260 PolarHBondContact O-N 2.73Å; V258-Y263 HydrophobicContact CG1-CD2 3.59Å; V258-Y263 HydrophobicContact CG1-CE2 3.39Å; V258-Y263 HydrophobicContact CG1-CG 4.28Å |
| 259 | R | 95.3 | Very high | 84.7 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 96.9 | -179.4 | 178.5 | 179.1 | -67.5 | -140.3 | -1.1 | 110.9 | K202 R204 A205 L206 D261 S262 Y263 | K202-R259 PolarHBondContact O-NE 3.42Å; K202-R259 PolarHBondContact O-NH2 2.85Å; R204-R259 VanDerWaalsContact C-CB 3.49Å; R204-R259 WeakPolarHBondContact O-CB 3.42Å; R204-R259 PolarHBondContact O-N 2.9Å; A205-R259 PolarHBondContact O-NE 3.46Å; A205-R259 VanDerWaalsContact O-NE 3.14Å; A205-R259 PolarHBondContact O-NH2 3.08Å; L206-R259 HydrophobicContact CD2-CG 4.26Å; L206-R259 HydrophobicContact CG-CB 4.03Å; L206-R259 HydrophobicContact CG-CG 4.16Å; R259-D261 WeakPolarHBondContact CG-OD1 3.42Å; R259-D261 PolarHBondContact O-N 2.88Å; R259-S262 VanDerWaalsContact CD-OG 3.23Å; R259-S262 WeakPolarHBondContact CD-OG 3.29Å; R259-S262 WeakPolarHBondContact O-CB 3.2Å; R259-S262 PolarHBondContact O-N 3.45Å; R259-Y263 WeakPolarHBondContact O-CD2 2.95Å |
| 260 | M | 96.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -64.4 | -32.6 | -166 | -71.9 | -68.2 | -68.4 | 0 | 0 | 115 | F63 V77 I133 L153 P154 A236 F237 V258 S262 Y263 H264 I267 | F63-M260 HydrophobicContact CE2-CE 4.04Å; F63-M260 HydrophobicContact CZ-CE 3.84Å; F63-M260 HydrophobicContact CZ-SD 4.3Å; V77-M260 HydrophobicContact CG1-CE 4.04Å; V77-M260 HydrophobicContact CG1-SD 4.4Å; V77-M260 HydrophobicContact CG2-CE 4.42Å; I133-M260 HydrophobicContact CD1-CE 4.25Å; I133-M260 HydrophobicContact CD1-SD 3.59Å; I133-M260 VanDerWaalsContact CD1-SD 3.59Å; L153-M260 HydrophobicContact CD2-CE 3.97Å; P154-M260 HydrophobicContact CG-CB 3.6Å; A236-M260 WeakPolarHBondContact O-CB 3.37Å; A236-M260 VanDerWaalsContact O-CG 3.3Å; A236-M260 WeakPolarHBondContact O-CG 3.24Å; F237-M260 WeakPolarHBondContact O-CB 3.37Å; F237-M260 PolarHBondContact O-N 3.46Å; V258-M260 PolarHBondContact O-N 2.73Å; M260-S262 PolarHBondContact O-N 3.39Å; M260-Y263 CarbonylContact O-C 3.55Å; M260-Y263 PolarHBondContact O-N 3.49Å; M260-H264 PolarHBondContact O-N 2.97Å; M260-H264 VanDerWaalsContact O-N 3.13Å; M260-I267 HydrophobicContact CE-CD1 3.33Å; M260-I267 HydrophobicContact SD-CD1 4.26Å |
| 261 | D | 95.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -64 | -26.7 | 176.7 | 62.2 | -70.1 | 0 | 0 | 0 | 112.4 | P154 V159 R259 Y263 H264 | P154-D261 HydrophobicContact CB-CB 4.37Å; P154-D261 HydrophobicContact CG-CB 4.31Å; V159-D261 HydrophobicContact CG2-CB 3.81Å; R259-D261 WeakPolarHBondContact CG-OD1 3.42Å; R259-D261 PolarHBondContact O-N 2.88Å; D261-Y263 VanDerWaalsContact C-N 3.29Å; D261-H264 WeakPolarHBondContact O-CB 3.22Å |
| 262 | S | 94.5 | Very high | 89.7 | Confident | 53 Ų | 53 | 34.6 Ų | 34.6 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -79.3 | -13.7 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 113 | H203 R259 M260 | H203-S262 VanDerWaalsContact O-CB 3.24Å; H203-S262 WeakPolarHBondContact O-CB 3.23Å; H203-S262 PolarHBondContact O-OG 3.14Å; R259-S262 VanDerWaalsContact CD-OG 3.23Å; R259-S262 WeakPolarHBondContact CD-OG 3.29Å; R259-S262 WeakPolarHBondContact O-CB 3.2Å; R259-S262 PolarHBondContact O-N 3.45Å; M260-S262 PolarHBondContact O-N 3.39Å |
| 263 | Y | 95.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 1.1 | 175.4 | -70.4 | -101.6 | 0 | 0 | 0 | 112.7 | H122 N131 I133 R204 V258 R259 M260 D261 D265 W266 I267 | H122-Y263 HydrophobicContact CB-CD1 4.43Å; H122-Y263 HydrophobicContact CB-CE1 4.14Å; H122-Y263 AromaticContact CD2-CD1 3.68Å; H122-Y263 AromaticContact CD2-CE1 3.71Å; H122-Y263 AromaticContact CG-CE1 3.86Å; N131-Y263 WeakPolarHBondContact CA-OH 3.26Å; N131-Y263 HydrophobicContact CB-CE1 4.38Å; N131-Y263 PolarHBondContact OD1-OH 2.86Å; I133-Y263 HydrophobicContact CG2-CD1 3.85Å; I133-Y263 HydrophobicContact CG2-CE1 3.85Å; R204-Y263 HydrophobicContact CB-CE2 4.25Å; R204-Y263 WeakPolarHBondContact CD-OH 3.29Å; R204-Y263 HydrophobicContact CG-CE2 4.48Å; V258-Y263 HydrophobicContact CG1-CD2 3.59Å; V258-Y263 HydrophobicContact CG1-CE2 3.39Å; V258-Y263 HydrophobicContact CG1-CG 4.28Å; R259-Y263 WeakPolarHBondContact O-CD2 2.95Å; M260-Y263 CarbonylContact O-C 3.55Å; M260-Y263 PolarHBondContact O-N 3.49Å; D261-Y263 VanDerWaalsContact C-N 3.29Å; Y263-D265 VanDerWaalsContact C-N 3.35Å; Y263-D265 PolarHBondContact O-N 2.76Å; Y263-W266 HydrophobicContact CD1-CE3 4.09Å; Y263-W266 WeakPolarHBondContact O-CB 3.42Å; Y263-W266 PolarHBondContact O-N 2.82Å; Y263-W266 VanDerWaalsContact O-N 3.08Å; Y263-I267 VanDerWaalsContact O-CG1 3.26Å; Y263-I267 WeakPolarHBondContact O-CG1 3.39Å; Y263-I267 PolarHBondContact O-N 2.96Å |
| 264 | H | 94.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 35 Ų | 35 | 20% | 0.199 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -48.2 | -52.2 | -174.5 | 177.4 | -89 | 0 | 0 | 0 | 113.2 | P154 M260 D261 I267 L268 | P154-H264 PolarHBondContact O-CD2 3.15Å; P154-H264 VanDerWaalsContact O-CD2 3.31Å; M260-H264 PolarHBondContact O-N 2.97Å; M260-H264 VanDerWaalsContact O-N 3.13Å; D261-H264 WeakPolarHBondContact O-CB 3.22Å; H264-I267 WeakPolarHBondContact O-CB 3.05Å; H264-I267 PolarHBondContact O-N 2.82Å; H264-L268 WeakPolarHBondContact CE1-CD1 3.24Å; H264-L268 WeakPolarHBondContact O-CG 2.92Å; H264-L268 PolarHBondContact O-N 2.66Å; H264-L268 VanDerWaalsContact O-N 3.07Å |
| 265 | D | 93.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 39 Ų | 39 | 60% | 0.599 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -68.6 | -39.8 | -177.5 | -62.2 | -18.1 | 0 | 0 | 0 | 111.7 | Y263 I267 L268 E269 | Y263-D265 VanDerWaalsContact C-N 3.35Å; Y263-D265 PolarHBondContact O-N 2.76Å; D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 PolarHBondContact O-N 2.91Å; D265-L268 PolarHBondContact O-N 3.04Å; D265-E269 WeakPolarHBondContact O-CB 3.43Å; D265-E269 VanDerWaalsContact O-CG 3.28Å; D265-E269 WeakPolarHBondContact O-CG 3.23Å; D265-E269 PolarHBondContact O-N 2.96Å |
| 266 | W | 94.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 10% | 0.095 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 174.1 | 171.7 | 84.9 | 0 | 0 | 0 | 111.7 | H122 I133 L135 Y263 E269 T270 | H122-W266 HydrophobicContact CB-CD2 4.06Å; H122-W266 HydrophobicContact CB-CE3 4.5Å; H122-W266 HydrophobicContact CB-CH2 4.16Å; H122-W266 HydrophobicContact CB-CZ2 3.67Å; H122-W266 AromaticContact CD2-CD1 3.19Å; H122-W266 AromaticContact CD2-CD2 3.5Å; H122-W266 VanDerWaalsContact CD2-CD2 3.5Å; H122-W266 AromaticContact CD2-CE2 3.7Å; H122-W266 AromaticContact CD2-CG 3.21Å; H122-W266 AromaticContact CD2-NE1 3.46Å; H122-W266 PolarHBondContact CD2-NE1 2.78Å; H122-W266 AromaticContact CG-CD1 3.97Å; H122-W266 AromaticContact CG-CE2 3.94Å; H122-W266 AromaticContact CG-NE1 3.78Å; H122-W266 AromaticContact NE2-CD1 3.79Å; H122-W266 AromaticContact NE2-CG 3.96Å; I133-W266 HydrophobicContact CB-CZ3 4.45Å; I133-W266 HydrophobicContact CD1-CE3 4.49Å; I133-W266 HydrophobicContact CD1-CZ3 3.8Å; I133-W266 HydrophobicContact CG1-CH2 4.35Å; I133-W266 HydrophobicContact CG1-CZ3 3.88Å; I133-W266 HydrophobicContact CG2-CE3 4.46Å; I133-W266 HydrophobicContact CG2-CH2 3.99Å; I133-W266 HydrophobicContact CG2-CZ3 3.78Å; L135-W266 HydrophobicContact CD1-CE3 4.48Å; L135-W266 HydrophobicContact CD1-CH2 3.76Å; L135-W266 HydrophobicContact CD1-CZ3 3.52Å; Y263-W266 HydrophobicContact CD1-CE3 4.09Å; Y263-W266 WeakPolarHBondContact O-CB 3.42Å; Y263-W266 PolarHBondContact O-N 2.82Å; Y263-W266 VanDerWaalsContact O-N 3.08Å; W266-E269 PolarHBondContact O-N 3.22Å; W266-T270 VanDerWaalsContact CE2-OG1 3.28Å; W266-T270 HydrophobicContact CZ2-CG2 4.2Å; W266-T270 PolarHBondContact NE1-OG1 2.83Å; W266-T270 WeakPolarHBondContact O-CB 3.09Å; W266-T270 PolarHBondContact O-N 3.27Å; W266-T270 PolarHBondContact O-OG1 3.19Å |
| 267 | I | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -52.8 | 177.1 | -69.2 | 167.9 | 0 | 0 | 0 | 109.5 | I133 L135 L153 M260 Y263 H264 D265 E269 T270 M271 | I133-I267 HydrophobicContact CD1-CD1 4.37Å; L135-I267 HydrophobicContact CD1-CG1 4.18Å; L135-I267 HydrophobicContact CD2-CG2 4.12Å; L153-I267 HydrophobicContact CD1-CG2 3.61Å; L153-I267 HydrophobicContact CD2-CD1 4.02Å; L153-I267 HydrophobicContact CD2-CG2 4.17Å; M260-I267 HydrophobicContact CE-CD1 3.33Å; M260-I267 HydrophobicContact SD-CD1 4.26Å; Y263-I267 VanDerWaalsContact O-CG1 3.26Å; Y263-I267 WeakPolarHBondContact O-CG1 3.39Å; Y263-I267 PolarHBondContact O-N 2.96Å; H264-I267 WeakPolarHBondContact O-CB 3.05Å; H264-I267 PolarHBondContact O-N 2.82Å; D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 PolarHBondContact O-N 2.91Å; I267-E269 PolarHBondContact O-N 3.13Å; I267-T270 PolarHBondContact O-N 2.04Å; I267-M271 HydrophobicContact CG2-CE 3.7Å; I267-M271 HydrophobicContact CG2-SD 4.44Å; I267-M271 VanDerWaalsContact O-CG 3.31Å; I267-M271 WeakPolarHBondContact O-CG 3Å; I267-M271 PolarHBondContact O-N 3.12Å |
| 268 | L | 94.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.366 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -178.8 | -66.2 | -174.7 | 0 | 0 | 0 | 112.7 | L153 H264 D265 T270 M271 K272 | L153-L268 HydrophobicContact CD1-CD2 4.28Å; H264-L268 WeakPolarHBondContact CE1-CD1 3.24Å; H264-L268 WeakPolarHBondContact O-CG 2.92Å; H264-L268 PolarHBondContact O-N 2.66Å; H264-L268 VanDerWaalsContact O-N 3.07Å; D265-L268 PolarHBondContact O-N 3.04Å; L268-T270 VanDerWaalsContact C-N 3.35Å; L268-M271 HydrophobicContact CD2-SD 4.36Å; L268-K272 WeakPolarHBondContact O-CG 3.28Å; L268-K272 PolarHBondContact O-N 3.45Å |
| 269 | E | 92.5 | Very high | 91.5 | Very high | 83 Ų | 83 | 50.1 Ų | 50.1 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.8 | -72.9 | -178.2 | 170.5 | 0 | 0 | 112.2 | D265 W266 I267 K272 L273 K328 | D265-E269 WeakPolarHBondContact O-CB 3.43Å; D265-E269 VanDerWaalsContact O-CG 3.28Å; D265-E269 WeakPolarHBondContact O-CG 3.23Å; D265-E269 PolarHBondContact O-N 2.96Å; W266-E269 PolarHBondContact O-N 3.22Å; I267-E269 PolarHBondContact O-N 3.13Å; E269-K272 WeakPolarHBondContact O-CB 3.42Å; E269-K272 PolarHBondContact O-N 3.22Å; E269-L273 PolarHBondContact O-N 2.78Å; E269-L273 VanDerWaalsContact O-N 3.1Å; E269-K328 IonicContact OE2-NZ 2.73Å; E269-K328 PolarHBondContact OE2-NZ 3.03Å |
| 270 | T | 93.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70 | -36.4 | -180 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | A120 L135 W266 I267 L268 K272 L273 L274 | A120-T270 HydrophobicContact CB-CG2 3.55Å; L135-T270 HydrophobicContact CB-CG2 4.08Å; L135-T270 HydrophobicContact CD2-CG2 3.82Å; W266-T270 VanDerWaalsContact CE2-OG1 3.28Å; W266-T270 HydrophobicContact CZ2-CG2 4.2Å; W266-T270 PolarHBondContact NE1-OG1 2.83Å; W266-T270 WeakPolarHBondContact O-CB 3.09Å; W266-T270 PolarHBondContact O-N 3.27Å; W266-T270 PolarHBondContact O-OG1 3.19Å; I267-T270 PolarHBondContact O-N 2.04Å; L268-T270 VanDerWaalsContact C-N 3.35Å; T270-K272 VanDerWaalsContact C-N 3.32Å; T270-K272 PolarHBondContact O-N 2.86Å; T270-L273 PolarHBondContact O-N 3.01Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CG 4.28Å; T270-L274 WeakPolarHBondContact O-CB 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.13Å; T270-L274 PolarHBondContact O-N 2.9Å |
| 271 | M | 93.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 170.4 | -71.5 | 178.9 | 176.6 | 0 | 0 | 111.8 | V65 D66 I75 L135 L153 I267 L268 L273 L274 K275 | V65-M271 HydrophobicContact CB-CE 4.2Å; V65-M271 HydrophobicContact CG2-CE 3.34Å; D66-M271 WeakPolarHBondContact O-CE 3.23Å; I75-M271 HydrophobicContact CB-CE 4.34Å; I75-M271 HydrophobicContact CG1-CG 4.21Å; I75-M271 HydrophobicContact CG2-CE 3.88Å; I75-M271 HydrophobicContact CG2-CG 4.19Å; L135-M271 HydrophobicContact CD2-CG 3.83Å; L153-M271 HydrophobicContact CD1-CE 4.07Å; I267-M271 HydrophobicContact CG2-CE 3.7Å; I267-M271 HydrophobicContact CG2-SD 4.44Å; I267-M271 VanDerWaalsContact O-CG 3.31Å; I267-M271 WeakPolarHBondContact O-CG 3Å; I267-M271 PolarHBondContact O-N 3.12Å; L268-M271 HydrophobicContact CD2-SD 4.36Å; M271-L273 VanDerWaalsContact C-N 3.34Å; M271-L273 PolarHBondContact O-N 3.19Å; M271-L274 PolarHBondContact O-N 2.82Å; M271-K275 WeakPolarHBondContact O-CG 3.18Å; M271-K275 PolarHBondContact O-N 3.27Å |
| 272 | K | 92 | Very high | 88.2 | Confident | 148 Ų | 148 | 57.8 Ų | 57.8 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 176.5 | -67.7 | 173.8 | -175.9 | 177.3 | 0 | 111.6 | L268 E269 T270 K275 | L268-K272 WeakPolarHBondContact O-CG 3.28Å; L268-K272 PolarHBondContact O-N 3.45Å; E269-K272 WeakPolarHBondContact O-CB 3.42Å; E269-K272 PolarHBondContact O-N 3.22Å; T270-K272 VanDerWaalsContact C-N 3.32Å; T270-K272 PolarHBondContact O-N 2.86Å; K272-K275 PolarHBondContact O-N 2.96Å |
| 273 | L | 89 | Confident | 86.5 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.6 | -178.8 | 140.7 | 0 | 0 | 0 | 112.2 | E269 T270 M271 K275 T276 S277 K328 | E269-L273 PolarHBondContact O-N 2.78Å; E269-L273 VanDerWaalsContact O-N 3.1Å; T270-L273 PolarHBondContact O-N 3.01Å; M271-L273 VanDerWaalsContact C-N 3.34Å; M271-L273 PolarHBondContact O-N 3.19Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å; L273-T276 PolarHBondContact O-N 2.66Å; L273-T276 PolarHBondContact O-OG1 3.48Å; L273-S277 PolarHBondContact O-N 2.8Å; L273-K328 HydrophobicContact CD1-CG 4.19Å |
| 274 | L | 91.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.2 | -28.6 | -180 | -73.1 | 173.6 | 0 | 0 | 0 | 112.8 | N118 A120 L135 K137 T270 M271 T276 S277 | N118-L274 HydrophobicContact CB-CD2 4.33Å; A120-L274 HydrophobicContact CB-CD1 4.48Å; A120-L274 HydrophobicContact CB-CD2 4.25Å; A120-L274 HydrophobicContact CB-CG 4.48Å; L135-L274 HydrophobicContact CB-CD1 3.77Å; K137-L274 HydrophobicContact CB-CB 4.19Å; K137-L274 HydrophobicContact CB-CD1 4.35Å; K137-L274 HydrophobicContact CB-CD2 4.35Å; K137-L274 HydrophobicContact CD-CB 4.41Å; K137-L274 HydrophobicContact CG-CB 4.48Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CG 4.28Å; T270-L274 WeakPolarHBondContact O-CB 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.13Å; T270-L274 PolarHBondContact O-N 2.9Å; M271-L274 PolarHBondContact O-N 2.82Å; L274-T276 VanDerWaalsContact C-N 3.3Å; L274-T276 PolarHBondContact O-N 2.67Å; L274-S277 PolarHBondContact O-N 3.06Å; L274-S277 PolarHBondContact O-OG 2.84Å |
| 275 | K | 88.3 | Confident | 82 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 174.8 | -79.6 | 177.6 | -176.9 | -172.9 | 0 | 112.6 | S67 M271 K272 L273 | S67-K275 VanDerWaalsContact O-CE 3.26Å; S67-K275 WeakPolarHBondContact O-CE 3.39Å; S67-K275 PolarHBondContact O-NZ 3.24Å; M271-K275 WeakPolarHBondContact O-CG 3.18Å; M271-K275 PolarHBondContact O-N 3.27Å; K272-K275 PolarHBondContact O-N 2.96Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å |
| 276 | T | 86.4 | Confident | 80 | Confident | 127 Ų | 127 | 69.9 Ų | 69.9 | 78% | 0.779 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 1.4 | -178.5 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | L273 L274 | L273-T276 PolarHBondContact O-N 2.66Å; L273-T276 PolarHBondContact O-OG1 3.48Å; L274-T276 VanDerWaalsContact C-N 3.3Å; L274-T276 PolarHBondContact O-N 2.67Å |
| 277 | S | 83.4 | Confident | 78.1 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | trans | -71.5 | 147.5 | -176.7 | 73.4 | 0 | 0 | 0 | 0 | 113.2 | K117 N118 L273 L274 | K117-S277 WeakPolarHBondContact CE-O 3.43Å; K117-S277 PolarHBondContact NZ-O 3.27Å; N118-S277 WeakPolarHBondContact ND2-CB 3.37Å; N118-S277 PolarHBondContact ND2-OG 2.85Å; L273-S277 PolarHBondContact O-N 2.8Å; L274-S277 PolarHBondContact O-N 3.06Å; L274-S277 PolarHBondContact O-OG 2.84Å | ||
| 278 | S | 80.6 | Confident | 75.9 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 47% | 0.469 | 40% | 0.396 | S | S | . | . | trans | -66 | 156.5 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | R280 | S278-R280 PolarHBondContact O-N 3.02Š| ||
| 279 | H | 82.2 | Confident | 73.7 | Confident | 46 Ų | 46 | 76.4 Ų | 76.4 | 21% | 0.213 | 41% | 0.406 | C | S | . | . | trans | -78.3 | 101.7 | 177.7 | -166.5 | -77.3 | 0 | 0 | 0 | 110.1 | K117 S281 E282 H283 | K117-H279 HydrophobicContact CG-CB 4.19Å; K117-H279 VanDerWaalsContact CG-CD2 3.5Å; K117-H279 WeakPolarHBondContact CG-CD2 3.23Å; H279-S281 PolarHBondContact CE1-OG 2.91Å; H279-S281 PolarHBondContact ND1-OG 3.46Å; H279-S281 PolarHBondContact NE2-OG 2.83Å; H279-E282 IonicContact CE1-OE1 3.38Å; H279-E282 WeakPolarHBondContact ND1-CG 3.05Å; H279-E282 PolarHBondContact ND1-N 2.73Å; H279-E282 IonicContact ND1-OE1 3.87Å; H279-E282 IonicContact ND1-OE2 2.76Å; H279-H283 PolarHBondContact O-CD2 3.41Å; H279-H283 VanDerWaalsContact O-CD2 3.24Å | ||
| 280 | R | 79 | Confident | 71.8 | Confident | 64 Ų | 64 | 74.6 Ų | 74.6 | 24% | 0.242 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -11.7 | -172.4 | -72.8 | -168.7 | 177.7 | -174 | -12.3 | 114.7 | P92 K117 N118 S278 E282 S324 G325 | P92-R280 HydrophobicContact CG-CB 4.03Å; K117-R280 PolarHBondContact O-N 3.29Å; N118-R280 WeakPolarHBondContact OD1-CD 3.49Å; S278-R280 PolarHBondContact O-N 3.02Å; R280-E282 VanDerWaalsContact C-N 3.31Å; R280-S324 PolarHBondContact NH1-O 2.7Å; R280-G325 VanDerWaalsContact NH1-C 3.32Å; R280-G325 PolarHBondContact NH1-O 3.26Å |
| 281 | S | 72 | Confident | 69.8 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12.5 | 173.1 | 32.5 | 0 | 0 | 0 | 0 | 114.2 | V116 K117 H279 | V116-S281 WeakPolarHBondContact O-CB 3.39Å; V116-S281 PolarHBondContact O-OG 3.07Å; K117-S281 PolarHBondContact O-N 2.87Å; H279-S281 PolarHBondContact CE1-OG 2.91Å; H279-S281 PolarHBondContact ND1-OG 3.46Å; H279-S281 PolarHBondContact NE2-OG 2.83Å |
| 282 | E | 67 | Low | 68.1 | Low | 148 Ų | 148 | 81 Ų | 81 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -92.4 | -20.4 | 174.7 | -82.4 | 170.8 | -166.2 | 0 | 0 | 112.9 | H279 R280 N284 | H279-E282 IonicContact CE1-OE1 3.38Å; H279-E282 WeakPolarHBondContact ND1-CG 3.05Å; H279-E282 PolarHBondContact ND1-N 2.73Å; H279-E282 IonicContact ND1-OE1 3.87Å; H279-E282 IonicContact ND1-OE2 2.76Å; R280-E282 VanDerWaalsContact C-N 3.31Å; E282-N284 PolarHBondContact O-N 3.22Å |
| 283 | H | 57.3 | Low | 66.3 | Low | 110 Ų | 110 | 78.9 Ų | 78.9 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -77.2 | 113.4 | 174.6 | -66.7 | -64.2 | 0 | 0 | 0 | 108.2 | H279 V285 | H279-H283 PolarHBondContact O-CD2 3.41Å; H279-H283 VanDerWaalsContact O-CD2 3.24Å; H283-V285 HydrophobicContact CB-CG2 3.95Å; H283-V285 PolarHBondContact O-N 2.57Å |
| 284 | N | 46.4 | Very low | 64.6 | Low | 172 Ų | 172 | 77.1 Ų | 77.1 | 92% | 0.92 | 43% | 0.432 | S | S | * | . | trans | -64.2 | 52 | 166.5 | -82.8 | -11.8 | 0 | 0 | 0 | 111.2 | E282 S286 | E282-N284 PolarHBondContact O-N 3.22Å; N284-S286 VanDerWaalsContact C-N 3.26Å; N284-S286 PolarHBondContact O-N 2.64Å | ||
| 285 | V | 49.8 | Very low | 62.8 | Low | 90 Ų | 90 | 87.4 Ų | 87.4 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | trans | -72 | 96.1 | 163.7 | -173.7 | 0 | 0 | 0 | 0 | 104.5 | H283 D287 V288 | H283-V285 HydrophobicContact CB-CG2 3.95Å; H283-V285 PolarHBondContact O-N 2.57Å; V285-D287 PolarHBondContact O-N 3.19Å; V285-V288 HydrophobicContact CG1-CG2 3.93Å | ||
| 286 | S | 51 | Low | 61.3 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | trans | -43 | 128.7 | 161.6 | 48 | 0 | 0 | 0 | 0 | 107.7 | N284 V288 | N284-S286 VanDerWaalsContact C-N 3.26Å; N284-S286 PolarHBondContact O-N 2.64Å; S286-V288 WeakPolarHBondContact O-CG2 3.5Å; S286-V288 PolarHBondContact O-N 2.75Å | ||
| 287 | D | 54.1 | Low | 59.7 | Low | 40 Ų | 40 | 84.9 Ų | 84.9 | 21% | 0.214 | 46% | 0.46 | C | S | . | . | trans | -42.6 | 103 | 178.1 | -75.8 | -15.5 | 0 | 0 | 0 | 108.3 | K88 K94 V285 N289 | K88-D287 HydrophobicContact CD-CB 4.3Å; K88-D287 IonicContact NZ-OD2 3.91Å; K88-D287 PolarHBondContact NZ-OD2 2.91Å; K94-D287 IonicContact NZ-OD1 2.59Å; K94-D287 IonicContact NZ-OD2 3.8Å; K94-D287 PolarHBondContact NZ-OD2 2.88Å; V285-D287 PolarHBondContact O-N 3.19Å; D287-N289 VanDerWaalsContact C-N 3.33Å; D287-N289 PolarHBondContact O-N 2.59Å | ||
| 288 | V | 50.2 | Low | 58.4 | Low | 87 Ų | 87 | 86 Ų | 86 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | trans | -74.1 | 99.5 | -179.1 | -177 | 0 | 0 | 0 | 0 | 105.1 | V285 S286 I290 | V285-V288 HydrophobicContact CG1-CG2 3.93Å; S286-V288 WeakPolarHBondContact O-CG2 3.5Å; S286-V288 PolarHBondContact O-N 2.75Å; V288-I290 HydrophobicContact CB-CG1 4.4Å; V288-I290 HydrophobicContact CG1-CD1 4.43Å; V288-I290 HydrophobicContact CG1-CG1 3.69Å; V288-I290 PolarHBondContact O-N 2.94Å | ||
| 289 | N | 48.1 | Very low | 57.1 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | trans | -70.3 | 83.6 | 173.5 | -74.6 | -21.6 | 0 | 0 | 0 | 108.1 | D287 S291 | D287-N289 VanDerWaalsContact C-N 3.33Å; D287-N289 PolarHBondContact O-N 2.59Å; N289-S291 VanDerWaalsContact C-N 3.32Å; N289-S291 PolarHBondContact O-N 2.87Å | ||
| 290 | I | 53.4 | Low | 55.5 | Low | 45 Ų | 45 | 89 Ų | 89 | 23% | 0.231 | 50% | 0.5 | C | S | . | . | trans | -76.7 | 92.3 | 169.7 | -50.1 | 179.1 | 0 | 0 | 0 | 106.4 | V288 V292 I320 L323 | V288-I290 HydrophobicContact CB-CG1 4.4Å; V288-I290 HydrophobicContact CG1-CD1 4.43Å; V288-I290 HydrophobicContact CG1-CG1 3.69Å; V288-I290 PolarHBondContact O-N 2.94Å; I290-V292 HydrophobicContact CB-CG2 4.45Å; I290-V292 HydrophobicContact CG2-CG2 3.43Å; I290-V292 VanDerWaalsContact CG2-CG2 3.43Å; I290-V292 PolarHBondContact O-N 2Å; I290-V292 VanDerWaalsContact O-N 3.09Å; I290-I320 HydrophobicContact CB-CD1 4.25Å; I290-I320 HydrophobicContact CB-CG1 3.99Å; I290-I320 HydrophobicContact CD1-CG1 4.44Å; I290-I320 HydrophobicContact CG2-CG1 4.29Å; I290-I320 VanDerWaalsContact O-CD1 3.3Å; I290-I320 WeakPolarHBondContact O-CD1 3.18Å; I290-L323 HydrophobicContact CD1-CB 4.22Å; I290-L323 HydrophobicContact CD1-CD1 3.84Å | ||
| 291 | S | 51.9 | Low | 54.3 | Low | 117 Ų | 117 | 88 Ų | 88 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | trans | -72.3 | 100.8 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | N289 | N289-S291 VanDerWaalsContact C-N 3.32Å; N289-S291 PolarHBondContact O-N 2.87Å | ||
| 292 | V | 56.8 | Low | 53.2 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 17% | 0.17 | 49% | 0.492 | C | S | . | . | trans | -113.6 | 137.2 | 169.1 | -163 | 0 | 0 | 0 | 0 | 107.1 | I290 S294 L296 A316 I320 | I290-V292 HydrophobicContact CB-CG2 4.45Å; I290-V292 HydrophobicContact CG2-CG2 3.43Å; I290-V292 VanDerWaalsContact CG2-CG2 3.43Å; I290-V292 PolarHBondContact O-N 2Å; I290-V292 VanDerWaalsContact O-N 3.09Å; V292-S294 PolarHBondContact O-N 3.28Å; V292-S294 VanDerWaalsContact O-N 3.15Å; V292-L296 HydrophobicContact CG1-CB 4.06Å; V292-L296 HydrophobicContact CG1-CD2 3.58Å; V292-L296 HydrophobicContact CG1-CG 4.42Å; V292-A316 HydrophobicContact CB-CB 3.71Å; V292-A316 HydrophobicContact CG1-CB 4.01Å; V292-I320 HydrophobicContact CG2-CD1 4.4Å; V292-I320 HydrophobicContact CG2-CG1 4.46Å | ||
| 293 | N | 53.8 | Low | 52.4 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | trans | -56.3 | 123.4 | 170 | 175 | -15.7 | 0 | 0 | 0 | 107.9 | R295 L296 | N293-R295 PolarHBondContact O-N 2.57Å; N293-R295 PolarHBondContact OD1-N 2.82Å; N293-L296 HydrophobicContact CB-CB 4.11Å; N293-L296 WeakPolarHBondContact O-CB 3.46Å; N293-L296 PolarHBondContact O-N 2.99Å | ||
| 294 | S | 53.2 | Low | 52.1 | Low | 34 Ų | 34 | 81.5 Ų | 81.5 | 24% | 0.238 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.9 | -173.5 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | V292 | V292-S294 PolarHBondContact O-N 3.28Å; V292-S294 VanDerWaalsContact O-N 3.15Å |
| 295 | R | 54.8 | Low | 52.4 | Low | 217 Ų | 217 | 73.5 Ų | 73.5 | 82% | 0.819 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.4 | 174.9 | -51 | -173.9 | -157 | -161.5 | 4 | 113.7 | N293 T297 | N293-R295 PolarHBondContact O-N 2.57Å; N293-R295 PolarHBondContact OD1-N 2.82Å; R295-T297 PolarHBondContact O-N 3.46Å; R295-T297 VanDerWaalsContact O-N 3.1Å |
| 296 | L | 54.9 | Low | 52.4 | Low | 84 Ų | 84 | 71.6 Ų | 71.6 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | trans | -71.9 | 106.4 | 178.6 | -170.8 | 72.6 | 0 | 0 | 0 | 109 | V292 N293 V298 | V292-L296 HydrophobicContact CG1-CB 4.06Å; V292-L296 HydrophobicContact CG1-CD2 3.58Å; V292-L296 HydrophobicContact CG1-CG 4.42Å; N293-L296 HydrophobicContact CB-CB 4.11Å; N293-L296 WeakPolarHBondContact O-CB 3.46Å; N293-L296 PolarHBondContact O-N 2.99Å; L296-V298 HydrophobicContact CD2-CG2 4.18Å; L296-V298 HydrophobicContact CG-CG2 4.29Å | ||
| 297 | T | 53.2 | Low | 52.5 | Low | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | trans | -83.9 | 119.5 | 168.3 | 49.7 | 0 | 0 | 0 | 0 | 107.7 | R295 P299 S313 | R295-T297 PolarHBondContact O-N 3.46Å; R295-T297 VanDerWaalsContact O-N 3.1Å; T297-P299 VanDerWaalsContact O-CD 3.3Å; T297-P299 WeakPolarHBondContact O-CD 3.47Å; T297-S313 VanDerWaalsContact CB-CB 3.42Å; T297-S313 WeakPolarHBondContact CB-OG 3.48Å; T297-S313 WeakPolarHBondContact CG2-OG 2.78Å | ||
| 298 | V | 56.4 | Low | 52.4 | Low | 40 Ų | 40 | 77.3 Ų | 77.3 | 24% | 0.242 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 106.2 | 178 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | L296 L301 L319 | L296-V298 HydrophobicContact CD2-CG2 4.18Å; L296-V298 HydrophobicContact CG-CG2 4.29Å; V298-L301 HydrophobicContact CB-CB 4.27Å; V298-L301 HydrophobicContact CB-CD2 4.41Å; V298-L301 HydrophobicContact CG1-CB 4.09Å; V298-L301 HydrophobicContact CG1-CD1 3.97Å; V298-L301 HydrophobicContact CG1-CD2 4.32Å; V298-L301 HydrophobicContact CG1-CG 4.36Å; V298-L319 HydrophobicContact CG2-CD2 4.25Å |
| 299 | P | 53 | Low | 52.4 | Low | 114 Ų | 114 | 77.2 Ų | 77.2 | 74% | 0.74 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 144.4 | 179.4 | -16.2 | 31.4 | 0 | 0 | 0 | 111 | T297 L301 | T297-P299 VanDerWaalsContact O-CD 3.3Å; T297-P299 WeakPolarHBondContact O-CD 3.47Å; P299-L301 PolarHBondContact O-N 2.71Å |
| 300 | G | 50.2 | Low | 52.5 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 65% | 0.649 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -8.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | L302 S303 | G300-L302 VanDerWaalsContact C-N 3.26Å; G300-L302 PolarHBondContact O-N 3.2Å; G300-S303 PolarHBondContact O-N 3.17Å; G300-S303 PolarHBondContact O-OG 2.66Å |
| 301 | L | 52.2 | Low | 52.3 | Low | 43 Ų | 43 | 83.3 Ų | 83.3 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -75.2 | -14.2 | -179.2 | -139.6 | 80.8 | 0 | 0 | 0 | 114.1 | V298 P299 S303 L304 L314 L319 | V298-L301 HydrophobicContact CB-CB 4.27Å; V298-L301 HydrophobicContact CB-CD2 4.41Å; V298-L301 HydrophobicContact CG1-CB 4.09Å; V298-L301 HydrophobicContact CG1-CD1 3.97Å; V298-L301 HydrophobicContact CG1-CD2 4.32Å; V298-L301 HydrophobicContact CG1-CG 4.36Å; P299-L301 PolarHBondContact O-N 2.71Å; L301-S303 PolarHBondContact O-N 3.19Å; L301-S303 VanDerWaalsContact O-N 3.1Å; L301-L304 HydrophobicContact CD1-CD1 4.41Å; L301-L304 HydrophobicContact CD2-CD1 4.11Å; L301-L304 HydrophobicContact CG-CD1 3.81Å; L301-L304 VanDerWaalsContact O-CB 3.28Å; L301-L304 WeakPolarHBondContact O-CB 3.34Å; L301-L304 WeakPolarHBondContact O-CG 2.98Å; L301-L304 PolarHBondContact O-N 3.43Å; L301-L314 HydrophobicContact CD2-CD1 4.27Å; L301-L319 HydrophobicContact CD2-CD1 3.19Å; L301-L319 HydrophobicContact CD2-CD2 3.94Å; L301-L319 HydrophobicContact CD2-CG 4.11Å |
| 302 | L | 49.3 | Very low | 52.4 | Low | 7 Ų | 7 | 83.6 Ų | 83.6 | 4% | 0.037 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -64.2 | -8.9 | 171.6 | -75.2 | -176.1 | 0 | 0 | 0 | 113.6 | G300 L304 V305 R308 D309 K312 L314 | G300-L302 VanDerWaalsContact C-N 3.26Å; G300-L302 PolarHBondContact O-N 3.2Å; L302-L304 PolarHBondContact O-N 3.34Å; L302-L304 VanDerWaalsContact O-N 3.15Å; L302-V305 HydrophobicContact CD2-CB 4.08Å; L302-V305 HydrophobicContact CD2-CG2 4.5Å; L302-V305 CarbonylContact O-C 3.46Å; L302-V305 PolarHBondContact O-N 2.84Å; L302-R308 HydrophobicContact CD1-CB 4.34Å; L302-R308 HydrophobicContact CD2-CB 3.91Å; L302-R308 HydrophobicContact CD2-CG 4.47Å; L302-D309 WeakPolarHBondContact CD1-O 3.25Å; L302-K312 HydrophobicContact CD1-CB 4.3Å; L302-K312 WeakPolarHBondContact CD1-O 3.05Å; L302-K312 WeakPolarHBondContact CG-O 3.36Å; L302-L314 HydrophobicContact CD2-CD2 3.69Å; L302-L314 HydrophobicContact CD2-CG 3.93Å |
| 303 | S | 51.4 | Low | 52.8 | Low | 89 Ų | 89 | 84.3 Ų | 84.3 | 62% | 0.622 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -53.7 | -25.7 | 162 | 54 | 0 | 0 | 0 | 0 | 112.6 | G300 L301 V305 | G300-S303 PolarHBondContact O-N 3.17Å; G300-S303 PolarHBondContact O-OG 2.66Å; L301-S303 PolarHBondContact O-N 3.19Å; L301-S303 VanDerWaalsContact O-N 3.1Å; S303-V305 VanDerWaalsContact C-N 3.33Å |
| 304 | L | 51 | Low | 53.3 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -79.1 | -11.3 | 173.5 | -58.7 | 175.9 | 0 | 0 | 0 | 113.9 | L301 L302 V322 | L301-L304 HydrophobicContact CD1-CD1 4.41Å; L301-L304 HydrophobicContact CD2-CD1 4.11Å; L301-L304 HydrophobicContact CG-CD1 3.81Å; L301-L304 VanDerWaalsContact O-CB 3.28Å; L301-L304 WeakPolarHBondContact O-CB 3.34Å; L301-L304 WeakPolarHBondContact O-CG 2.98Å; L301-L304 PolarHBondContact O-N 3.43Å; L302-L304 PolarHBondContact O-N 3.34Å; L302-L304 VanDerWaalsContact O-N 3.15Å; L304-V322 HydrophobicContact CB-CG1 4.38Å; L304-V322 HydrophobicContact CD1-CG1 4.32Å |
| 305 | V | 51.1 | Low | 53.9 | Low | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | trans | -133.2 | 84.4 | -172.2 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | F123 L302 S303 K307 R308 L314 V322 P330 | F123-V305 HydrophobicContact CE1-CG1 4.1Å; F123-V305 HydrophobicContact CE1-CG2 4.22Å; F123-V305 HydrophobicContact CE2-CG1 4.32Å; F123-V305 HydrophobicContact CZ-CG1 3.57Å; F123-V305 HydrophobicContact CZ-CG2 4.29Å; L302-V305 HydrophobicContact CD2-CB 4.08Å; L302-V305 HydrophobicContact CD2-CG2 4.5Å; L302-V305 CarbonylContact O-C 3.46Å; L302-V305 PolarHBondContact O-N 2.84Å; S303-V305 VanDerWaalsContact C-N 3.33Å; V305-K307 VanDerWaalsContact C-N 3.32Å; V305-K307 PolarHBondContact O-N 3.47Å; V305-K307 VanDerWaalsContact O-N 3.1Å; V305-R308 HydrophobicContact CG1-CB 4.27Å; V305-R308 PolarHBondContact O-N 3.01Å; V305-L314 HydrophobicContact CG2-CD1 4.19Å; V305-L314 HydrophobicContact CG2-CD2 4.35Å; V305-V322 HydrophobicContact CG2-CG2 4.31Å; V305-P330 HydrophobicContact CG1-CG 3.86Å | ||
| 306 | P | 51.5 | Low | 54.5 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.3 | -168.3 | 18 | -31.2 | 0 | 0 | 0 | 118.3 | P330 I332 | P306-P330 WeakPolarHBondContact CD-O 3.29Å; P306-P330 VanDerWaalsContact CG-C 3.42Å; P306-P330 HydrophobicContact CG-CB 3.77Å; P306-P330 HydrophobicContact CG-CG 3.77Å; P306-P330 WeakPolarHBondContact CG-O 3.28Å; P306-I332 HydrophobicContact CB-CG1 3.99Å; P306-I332 HydrophobicContact CG-CG1 3.68Å |
| 307 | K | 52.1 | Low | 55.1 | Low | 172 Ų | 172 | 66 Ų | 66 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.2 | -177.6 | -77.8 | -173.1 | -179.6 | -174.5 | 0 | 114.8 | V305 P330 | V305-K307 VanDerWaalsContact C-N 3.32Å; V305-K307 PolarHBondContact O-N 3.47Å; V305-K307 VanDerWaalsContact O-N 3.1Å; K307-P330 HydrophobicContact CB-CB 3.82Å; K307-P330 HydrophobicContact CB-CG 3.81Å; K307-P330 HydrophobicContact CD-CB 3.9Å; K307-P330 HydrophobicContact CG-CB 3.68Å; K307-P330 HydrophobicContact CG-CG 4.24Å |
| 308 | R | 51.1 | Low | 56 | Low | 84 Ų | 84 | 62.2 Ų | 62.2 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -101.3 | 147.7 | 178 | -140.2 | 178.1 | -170.1 | 172.5 | 4.4 | 110.9 | L302 V305 K310 E318 | L302-R308 HydrophobicContact CD1-CB 4.34Å; L302-R308 HydrophobicContact CD2-CB 3.91Å; L302-R308 HydrophobicContact CD2-CG 4.47Å; V305-R308 HydrophobicContact CG1-CB 4.27Å; V305-R308 PolarHBondContact O-N 3.01Å; R308-K310 PolarHBondContact O-N 3.24Å; R308-E318 IonicContact CZ-OE1 3.69Å; R308-E318 VanDerWaalsContact CZ-OE1 3.24Å; R308-E318 IonicContact CZ-OE2 3.37Å; R308-E318 IonicContact NH1-OE1 2.8Å; R308-E318 PolarHBondContact NH1-OE1 2.69Å; R308-E318 IonicContact NH1-OE2 3.8Å; R308-E318 PolarHBondContact NH1-OE2 2.9Å; R308-E318 IonicContact NH2-OE1 3.72Å; R308-E318 PolarHBondContact NH2-OE1 3.26Å; R308-E318 IonicContact NH2-OE2 2.66Å |
| 309 | D | 51.4 | Low | 56.7 | Low | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -52 | 111.9 | 171.4 | 177.8 | -2.9 | 0 | 0 | 0 | 110.2 | L302 S311 K312 | L302-D309 WeakPolarHBondContact CD1-O 3.25Å; D309-S311 PolarHBondContact O-N 3.14Å; D309-S311 WeakPolarHBondContact OD1-CB 2.96Å; D309-S311 PolarHBondContact OD1-N 3.06Å; D309-S311 VanDerWaalsContact OD1-N 3.08Å; D309-S311 PolarHBondContact OD1-OG 3.14Å; D309-S311 PolarHBondContact OD2-OG 3.44Å; D309-K312 HydrophobicContact CB-CD 4.29Å; D309-K312 HydrophobicContact CB-CG 4.26Å; D309-K312 WeakPolarHBondContact O-CB 2.77Å; D309-K312 PolarHBondContact O-N 3.23Å | ||
| 310 | K | 49.9 | Very low | 57.5 | Low | 181 Ų | 181 | 56 Ų | 56 | 79% | 0.787 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.1 | -174.9 | -68.4 | -176.6 | -179.3 | 178 | 0 | 113.5 | R308 K312 | R308-K310 PolarHBondContact O-N 3.24Å; K310-K312 VanDerWaalsContact C-N 3.26Å |
| 311 | S | 48.3 | Very low | 58.4 | Low | 97 Ų | 97 | 53 Ų | 53 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.7 | 173.4 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | D309 | D309-S311 PolarHBondContact O-N 3.14Å; D309-S311 WeakPolarHBondContact OD1-CB 2.96Å; D309-S311 PolarHBondContact OD1-N 3.06Å; D309-S311 VanDerWaalsContact OD1-N 3.08Å; D309-S311 PolarHBondContact OD1-OG 3.14Å; D309-S311 PolarHBondContact OD2-OG 3.44Å |
| 312 | K | 54.3 | Low | 59.3 | Low | 123 Ų | 123 | 51.2 Ų | 51.2 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -92.9 | 161.6 | -177.5 | -60.9 | -171.4 | -179.6 | -176.7 | 0 | 111.4 | L302 D309 K310 | L302-K312 HydrophobicContact CD1-CB 4.3Å; L302-K312 WeakPolarHBondContact CD1-O 3.05Å; L302-K312 WeakPolarHBondContact CG-O 3.36Å; D309-K312 HydrophobicContact CB-CD 4.29Å; D309-K312 HydrophobicContact CB-CG 4.26Å; D309-K312 WeakPolarHBondContact O-CB 2.77Å; D309-K312 PolarHBondContact O-N 3.23Å; K310-K312 VanDerWaalsContact C-N 3.26Å |
| 313 | S | 66 | Low | 60.2 | Low | 43 Ų | 43 | 55.5 Ų | 55.5 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | trans | -108.6 | 159.4 | 176.4 | 44 | 0 | 0 | 0 | 0 | 110.1 | T297 | T297-S313 VanDerWaalsContact CB-CB 3.42Å; T297-S313 WeakPolarHBondContact CB-OG 3.48Å; T297-S313 WeakPolarHBondContact CG2-OG 2.78Å | ||
| 314 | L | 63.5 | Low | 60.9 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 143.2 | 168 | -66.1 | 177.6 | 0 | 0 | 0 | 109.6 | L301 L302 V305 E318 | L301-L314 HydrophobicContact CD2-CD1 4.27Å; L302-L314 HydrophobicContact CD2-CD2 3.69Å; L302-L314 HydrophobicContact CD2-CG 3.93Å; V305-L314 HydrophobicContact CG2-CD1 4.19Å; V305-L314 HydrophobicContact CG2-CD2 4.35Å; L314-E318 VanDerWaalsContact CA-OE2 3.3Å; L314-E318 WeakPolarHBondContact CA-OE2 3.31Å; L314-E318 HydrophobicContact CB-CB 4.26Å; L314-E318 HydrophobicContact CD2-CB 4.11Å; L314-E318 WeakPolarHBondContact CD2-OE2 3.16Å |
| 315 | T | 66.1 | Low | 61.7 | Low | 41 Ų | 41 | 52 Ų | 52 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | trans | -70.4 | 161.8 | 164.8 | 73.7 | 0 | 0 | 0 | 0 | 109.9 | L317 E318 L319 | T315-L317 PolarHBondContact O-N 3.29Å; T315-L317 PolarHBondContact OG1-N 3.12Å; T315-E318 PolarHBondContact N-OE2 3.08Å; T315-E318 PolarHBondContact O-N 3.28Å; T315-E318 VanDerWaalsContact OG1-CG 3.32Å; T315-E318 WeakPolarHBondContact OG1-CG 3.4Å; T315-E318 PolarHBondContact OG1-N 3.41Å; T315-L319 WeakPolarHBondContact O-CB 3.4Å; T315-L319 PolarHBondContact O-N 3.05Å | ||
| 316 | A | 67.7 | Low | 62.7 | Low | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.9 | -45.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V292 L319 I320 | V292-A316 HydrophobicContact CB-CB 3.71Å; V292-A316 HydrophobicContact CG1-CB 4.01Å; A316-L319 WeakPolarHBondContact O-CB 3.12Å; A316-L319 PolarHBondContact O-N 2.92Å; A316-I320 WeakPolarHBondContact O-CG1 3.34Å; A316-I320 PolarHBondContact O-N 2.97Å |
| 317 | L | 68.3 | Low | 63.4 | Low | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | -176.4 | -172.4 | 65.1 | 0 | 0 | 0 | 112.2 | S85 Y89 Y124 Y126 T315 L319 I320 A321 | S85-L317 WeakPolarHBondContact O-CD1 3.44Å; Y89-L317 HydrophobicContact CD2-CD1 4.09Å; Y89-L317 HydrophobicContact CE2-CD1 3.51Å; Y89-L317 HydrophobicContact CE2-CG 3.87Å; Y124-L317 HydrophobicContact CD1-CD2 3.95Å; Y124-L317 HydrophobicContact CE1-CD2 4.14Å; Y126-L317 VanDerWaalsContact CB-CD2 3.42Å; Y126-L317 HydrophobicContact CG-CD2 4.45Å; T315-L317 PolarHBondContact O-N 3.29Å; T315-L317 PolarHBondContact OG1-N 3.12Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.21Å; L317-I320 PolarHBondContact O-N 2.62Å; L317-A321 WeakPolarHBondContact O-CB 3.09Å; L317-A321 PolarHBondContact O-N 2.91Å |
| 318 | E | 70.7 | Confident | 63.7 | Low | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 173.2 | -69.9 | 173.5 | 151.2 | 0 | 0 | 110.9 | F123 R308 L314 T315 A321 V322 | F123-E318 HydrophobicContact CD1-CG 4.39Å; R308-E318 IonicContact CZ-OE1 3.69Å; R308-E318 VanDerWaalsContact CZ-OE1 3.24Å; R308-E318 IonicContact CZ-OE2 3.37Å; R308-E318 IonicContact NH1-OE1 2.8Å; R308-E318 PolarHBondContact NH1-OE1 2.69Å; R308-E318 IonicContact NH1-OE2 3.8Å; R308-E318 PolarHBondContact NH1-OE2 2.9Å; R308-E318 IonicContact NH2-OE1 3.72Å; R308-E318 PolarHBondContact NH2-OE1 3.26Å; R308-E318 IonicContact NH2-OE2 2.66Å; L314-E318 VanDerWaalsContact CA-OE2 3.3Å; L314-E318 WeakPolarHBondContact CA-OE2 3.31Å; L314-E318 HydrophobicContact CB-CB 4.26Å; L314-E318 HydrophobicContact CD2-CB 4.11Å; L314-E318 WeakPolarHBondContact CD2-OE2 3.16Å; T315-E318 PolarHBondContact N-OE2 3.08Å; T315-E318 PolarHBondContact O-N 3.28Å; T315-E318 VanDerWaalsContact OG1-CG 3.32Å; T315-E318 WeakPolarHBondContact OG1-CG 3.4Å; T315-E318 PolarHBondContact OG1-N 3.41Å; E318-A321 PolarHBondContact O-N 3.3Å; E318-V322 WeakPolarHBondContact O-CG2 3.43Å; E318-V322 PolarHBondContact O-N 2.8Å |
| 319 | L | 70.9 | Confident | 63.3 | Low | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -47.7 | 174.7 | 174.9 | 53 | 0 | 0 | 0 | 111.4 | V298 L301 T315 A316 L317 A321 V322 L323 | V298-L319 HydrophobicContact CG2-CD2 4.25Å; L301-L319 HydrophobicContact CD2-CD1 3.19Å; L301-L319 HydrophobicContact CD2-CD2 3.94Å; L301-L319 HydrophobicContact CD2-CG 4.11Å; T315-L319 WeakPolarHBondContact O-CB 3.4Å; T315-L319 PolarHBondContact O-N 3.05Å; A316-L319 WeakPolarHBondContact O-CB 3.12Å; A316-L319 PolarHBondContact O-N 2.92Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.21Å; L319-A321 VanDerWaalsContact C-N 3.28Å; L319-A321 PolarHBondContact O-N 3.02Å; L319-V322 PolarHBondContact O-N 3.34Å; L319-V322 VanDerWaalsContact O-N 3.16Å; L319-L323 HydrophobicContact CD1-CD1 3.68Å; L319-L323 HydrophobicContact CD1-CD2 4.39Å; L319-L323 HydrophobicContact CD1-CG 3.75Å; L319-L323 HydrophobicContact CG-CD1 3.84Å; L319-L323 HydrophobicContact CG-CG 4.34Å; L319-L323 WeakPolarHBondContact O-CB 3.19Å; L319-L323 WeakPolarHBondContact O-CG 3Å; L319-L323 PolarHBondContact O-N 3.18Å |
| 320 | I | 69.7 | Low | 62.5 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 178.2 | -67.3 | 169.2 | 0 | 0 | 0 | 110.5 | T87 Y89 I290 V292 A316 L317 L323 S324 | T87-I320 VanDerWaalsContact O-CD1 3.29Å; T87-I320 WeakPolarHBondContact O-CD1 3.39Å; Y89-I320 HydrophobicContact CD2-CG2 4.21Å; I290-I320 HydrophobicContact CB-CD1 4.25Å; I290-I320 HydrophobicContact CB-CG1 3.99Å; I290-I320 HydrophobicContact CD1-CG1 4.44Å; I290-I320 HydrophobicContact CG2-CG1 4.29Å; I290-I320 VanDerWaalsContact O-CD1 3.3Å; I290-I320 WeakPolarHBondContact O-CD1 3.18Å; V292-I320 HydrophobicContact CG2-CD1 4.4Å; V292-I320 HydrophobicContact CG2-CG1 4.46Å; A316-I320 WeakPolarHBondContact O-CG1 3.34Å; A316-I320 PolarHBondContact O-N 2.97Å; L317-I320 PolarHBondContact O-N 2.62Å; I320-L323 PolarHBondContact O-N 2.87Å; I320-S324 WeakPolarHBondContact O-CB 3.45Å; I320-S324 PolarHBondContact O-N 2.85Å; I320-S324 PolarHBondContact O-OG 2.86Å |
| 321 | A | 70 | Confident | 61.7 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y89 L317 E318 L319 G325 Y326 H327 | Y89-A321 HydrophobicContact CD2-CB 4.21Å; Y89-A321 HydrophobicContact CE2-CB 3.48Å; Y89-A321 VanDerWaalsContact CE2-CB 3.48Å; L317-A321 WeakPolarHBondContact O-CB 3.09Å; L317-A321 PolarHBondContact O-N 2.91Å; E318-A321 PolarHBondContact O-N 3.3Å; L319-A321 VanDerWaalsContact C-N 3.28Å; L319-A321 PolarHBondContact O-N 3.02Å; A321-G325 PolarHBondContact O-N 2.88Å; A321-Y326 PolarHBondContact O-N 3.18Å; A321-H327 WeakPolarHBondContact CB-CD2 3.47Å; A321-H327 WeakPolarHBondContact CB-NE2 3.29Å; A321-H327 PolarHBondContact O-N 3.39Å |
| 322 | V | 70.6 | Confident | 61.1 | Low | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | F123 L304 V305 E318 L319 G325 H327 | F123-V322 HydrophobicContact CE1-CG2 4.32Å; L304-V322 HydrophobicContact CB-CG1 4.38Å; L304-V322 HydrophobicContact CD1-CG1 4.32Å; V305-V322 HydrophobicContact CG2-CG2 4.31Å; E318-V322 WeakPolarHBondContact O-CG2 3.43Å; E318-V322 PolarHBondContact O-N 2.8Å; L319-V322 PolarHBondContact O-N 3.34Å; L319-V322 VanDerWaalsContact O-N 3.16Å; V322-G325 WeakPolarHBondContact O-CA 3.48Å; V322-G325 PolarHBondContact O-N 3.13Å; V322-H327 HydrophobicContact CG2-CB 4.18Å |
| 323 | L | 68.9 | Low | 60.1 | Low | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.6 | -38.2 | 179.8 | -70 | 174.5 | 0 | 0 | 0 | 112 | I290 L319 I320 G325 | I290-L323 HydrophobicContact CD1-CB 4.22Å; I290-L323 HydrophobicContact CD1-CD1 3.84Å; L319-L323 HydrophobicContact CD1-CD1 3.68Å; L319-L323 HydrophobicContact CD1-CD2 4.39Å; L319-L323 HydrophobicContact CD1-CG 3.75Å; L319-L323 HydrophobicContact CG-CD1 3.84Å; L319-L323 HydrophobicContact CG-CG 4.34Å; L319-L323 WeakPolarHBondContact O-CB 3.19Å; L319-L323 WeakPolarHBondContact O-CG 3Å; L319-L323 PolarHBondContact O-N 3.18Å; I320-L323 PolarHBondContact O-N 2.87Å; L323-G325 PolarHBondContact O-N 3.17Å |
| 324 | S | 66.7 | Low | 58.5 | Low | 37 Ų | 37 | 49.1 Ų | 49.1 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.3 | 172.9 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | R280 I320 Y326 | R280-S324 PolarHBondContact NH1-O 2.7Å; I320-S324 WeakPolarHBondContact O-CB 3.45Å; I320-S324 PolarHBondContact O-N 2.85Å; I320-S324 PolarHBondContact O-OG 2.86Å; S324-Y326 VanDerWaalsContact C-N 3.32Å; S324-Y326 PolarHBondContact O-N 3.11Å |
| 325 | G | 67.7 | Low | 57.1 | Low | 29 Ų | 29 | 58.8 Ų | 58.8 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 22.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R280 A321 V322 L323 H327 | R280-G325 VanDerWaalsContact NH1-C 3.32Å; R280-G325 PolarHBondContact NH1-O 3.26Å; A321-G325 PolarHBondContact O-N 2.88Å; V322-G325 WeakPolarHBondContact O-CA 3.48Å; V322-G325 PolarHBondContact O-N 3.13Å; L323-G325 PolarHBondContact O-N 3.17Å; G325-H327 VanDerWaalsContact C-N 3.33Å |
| 326 | Y | 70.6 | Confident | 55.5 | Low | 24 Ų | 24 | 68.4 Ų | 68.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | trans | -88.9 | -0.6 | 175.5 | -58.4 | -51 | 0 | 0 | 0 | 113 | Y89 P92 Y119 A120 T121 A321 S324 | Y89-Y326 HydrophobicContact CD1-CD2 4.39Å; Y89-Y326 AromaticContact CG-CD2 3.99Å; Y89-Y326 HydrophobicContact CG-CD2 3.99Å; P92-Y326 WeakPolarHBondContact CD-OH 3.09Å; P92-Y326 HydrophobicContact CG-CE1 4.29Å; Y119-Y326 AromaticContact CD2-CD1 3.97Å; Y119-Y326 HydrophobicContact CD2-CD1 3.97Å; Y119-Y326 HydrophobicContact CD2-CG 4.2Å; Y119-Y326 HydrophobicContact CE1-CD1 4.28Å; Y119-Y326 AromaticContact CE1-CE1 3.98Å; Y119-Y326 HydrophobicContact CE1-CE1 3.98Å; Y119-Y326 AromaticContact CE2-CD1 3.46Å; Y119-Y326 HydrophobicContact CE2-CD1 3.46Å; Y119-Y326 VanDerWaalsContact CE2-CD1 3.46Å; Y119-Y326 AromaticContact CE2-CD2 3.84Å; Y119-Y326 HydrophobicContact CE2-CD2 3.84Å; Y119-Y326 AromaticContact CE2-CE1 3.97Å; Y119-Y326 HydrophobicContact CE2-CE1 3.97Å; Y119-Y326 HydrophobicContact CE2-CE2 4.31Å; Y119-Y326 AromaticContact CE2-CG 3.4Å; Y119-Y326 HydrophobicContact CE2-CG 3.4Å; Y119-Y326 VanDerWaalsContact CE2-CG 3.4Å; Y119-Y326 AromaticContact CZ-CD1 3.61Å; Y119-Y326 AromaticContact CZ-CD2 3.86Å; Y119-Y326 AromaticContact CZ-CE1 3.6Å; Y119-Y326 AromaticContact CZ-CE2 3.84Å; Y119-Y326 AromaticContact CZ-CG 3.77Å; Y119-Y326 AromaticContact CZ-CZ 3.73Å; Y119-Y326 VanDerWaalsContact OH-CD2 3.26Å; Y119-Y326 WeakPolarHBondContact OH-CD2 3.22Å; Y119-Y326 WeakPolarHBondContact OH-CE2 3.49Å; A120-Y326 VanDerWaalsContact CA-O 3.31Å; A120-Y326 WeakPolarHBondContact CA-O 3.42Å; T121-Y326 PolarHBondContact N-O 2.03Å; A321-Y326 PolarHBondContact O-N 3.18Å; S324-Y326 VanDerWaalsContact C-N 3.32Å; S324-Y326 PolarHBondContact O-N 3.11Å | ||
| 327 | H | 66 | Low | 54.9 | Low | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 146.8 | 167.8 | -82 | -20.3 | 0 | 0 | 0 | 112.2 | T121 F123 A321 V322 G325 R329 | T121-H327 PolarHBondContact O-ND1 3.11Å; T121-H327 PolarHBondContact OG1-CE1 2.78Å; T121-H327 PolarHBondContact OG1-ND1 3.49Å; T121-H327 VanDerWaalsContact OG1-ND1 3.11Å; F123-H327 WeakPolarHBondContact CA-CE1 2.96Å; F123-H327 VanDerWaalsContact CA-NE2 3.28Å; F123-H327 WeakPolarHBondContact CA-NE2 3.43Å; F123-H327 AromaticContact CD1-CD2 3.41Å; F123-H327 VanDerWaalsContact CD1-CD2 3.41Å; F123-H327 WeakPolarHBondContact CD1-CD2 3.47Å; F123-H327 AromaticContact CD1-NE2 3.58Å; F123-H327 HydrophobicContact CE1-CB 4.38Å; F123-H327 AromaticContact CE1-CD2 3.53Å; F123-H327 HydrophobicContact CZ-CB 4.48Å; F123-H327 PolarHBondContact N-CE1 2.91Å; F123-H327 PolarHBondContact N-ND1 3.41Å; F123-H327 PolarHBondContact N-NE2 3.03Å; A321-H327 WeakPolarHBondContact CB-CD2 3.47Å; A321-H327 WeakPolarHBondContact CB-NE2 3.29Å; A321-H327 PolarHBondContact O-N 3.39Å; V322-H327 HydrophobicContact CG2-CB 4.18Å; G325-H327 VanDerWaalsContact C-N 3.33Å; H327-R329 PolarHBondContact O-N 3.42Å |
| 328 | K | 58.8 | Low | 54.2 | Low | 44 Ų | 44 | 75 Ų | 75 | 19% | 0.191 | 35% | 0.354 | C | S | . | . | trans | -67.3 | 111.4 | 160.9 | -176.9 | 173 | 178.6 | 175.5 | 0 | 108.1 | E269 L273 P330 | E269-K328 IonicContact OE2-NZ 2.73Å; E269-K328 PolarHBondContact OE2-NZ 3.03Å; L273-K328 HydrophobicContact CD1-CG 4.19Å; K328-P330 VanDerWaalsContact O-CD 3.22Å; K328-P330 WeakPolarHBondContact O-CD 3.48Å | ||
| 329 | R | 42.2 | Very low | 53.2 | Low | 141 Ų | 141 | 78.8 Ų | 78.8 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 119 | 155 | -67.9 | -174.2 | -174.9 | -178.9 | 0.6 | 105.4 | H327 | H327-R329 PolarHBondContact O-N 3.42Š|
| 330 | P | 36.2 | Very low | 52.2 | Low | 15 Ų | 15 | 82.3 Ų | 82.3 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 147.9 | 172.9 | 7 | -11.1 | 0 | 0 | 0 | 109 | V305 P306 K307 K328 I332 | V305-P330 HydrophobicContact CG1-CG 3.86Å; P306-P330 WeakPolarHBondContact CD-O 3.29Å; P306-P330 VanDerWaalsContact CG-C 3.42Å; P306-P330 HydrophobicContact CG-CB 3.77Å; P306-P330 HydrophobicContact CG-CG 3.77Å; P306-P330 WeakPolarHBondContact CG-O 3.28Å; K307-P330 HydrophobicContact CB-CB 3.82Å; K307-P330 HydrophobicContact CB-CG 3.81Å; K307-P330 HydrophobicContact CD-CB 3.9Å; K307-P330 HydrophobicContact CG-CB 3.68Å; K307-P330 HydrophobicContact CG-CG 4.24Å; K328-P330 VanDerWaalsContact O-CD 3.22Å; K328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-I332 PolarHBondContact O-N 3.25Å |
| 331 | N | 33 | Very low | 51.1 | Low | 116 Ų | 116 | 87.3 Ų | 87.3 | 62% | 0.62 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 128.7 | -179.8 | -83.7 | -12.6 | 0 | 0 | 0 | 109.4 | D333 | N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.27Å |
| 332 | I | 34.4 | Very low | 49.9 | Very low | 111 Ų | 111 | 93.1 Ų | 93.1 | 57% | 0.569 | 44% | 0.439 | S | S | * | . | trans | -80.6 | 89.8 | 158.6 | -56.1 | 174.6 | 0 | 0 | 0 | 104.3 | P306 P330 Y334 | P306-I332 HydrophobicContact CB-CG1 3.99Å; P306-I332 HydrophobicContact CG-CG1 3.68Å; P330-I332 PolarHBondContact O-N 3.25Å; I332-Y334 HydrophobicContact CG2-CD2 4.44Å; I332-Y334 PolarHBondContact O-N 2.94Å | ||
| 333 | D | 33.9 | Very low | 48.4 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | trans | -69.1 | 111.7 | 161.3 | -70.8 | -32.5 | 0 | 0 | 0 | 105.8 | N331 Y335 | N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.27Å; D333-Y335 VanDerWaalsContact C-N 3.25Å; D333-Y335 HydrophobicContact CB-CD2 4.12Å; D333-Y335 HydrophobicContact CB-CE2 3.92Å; D333-Y335 PolarHBondContact O-N 3.42Å | ||
| 334 | Y | 32.7 | Very low | 46.8 | Very low | 208 Ų | 208 | 99.5 Ų | 99.5 | 82% | 0.816 | 47% | 0.465 | S | S | * | . | trans | -60.8 | 92.3 | 167.7 | -89.4 | -94.7 | 0 | 0 | 0 | 107.5 | I332 H336 | I332-Y334 HydrophobicContact CG2-CD2 4.44Å; I332-Y334 PolarHBondContact O-N 2.94Å; Y334-H336 PolarHBondContact O-N 3.24Å | ||
| 335 | Y | 34.9 | Very low | 45.1 | Very low | 206 Ų | 206 | 104.8 Ų | 104.8 | 81% | 0.808 | 48% | 0.482 | S | S | * | . | trans | -79.6 | 107.1 | 157.3 | -78.4 | -85.1 | 0 | 0 | 0 | 106.9 | D333 | D333-Y335 VanDerWaalsContact C-N 3.25Å; D333-Y335 HydrophobicContact CB-CD2 4.12Å; D333-Y335 HydrophobicContact CB-CE2 3.92Å; D333-Y335 PolarHBondContact O-N 3.42Å | ||
| 336 | H | 31.1 | Very low | 43.1 | Very low | 243 Ų | 243 | 111.6 Ų | 111.6 | 100% | 1.125 | 50% | 0.499 | S | S | * | . | trans | -52.7 | 0 | 154.7 | -73.9 | -71.7 | 0 | 0 | 0 | 111.2 | Y334 | Y334-H336 PolarHBondContact O-N 3.24Š|
Retrieved 336 of 336 residues in 2126.7 ms
(Link to these results)