| 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 | 45.5 | Very low | 55.1 | Low | 213 Ų | 213 | 141.8 Ų | 141.8 | 100% | 1.049 | 72% | 0.718 | S | S | * | * | 0 | 114.9 | 0 | -154.2 | 176.4 | -78.2 | 0 | 0 | 105.6 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.44Š| |||
| 2 | Y | 44.3 | Very low | 57.1 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | trans | -71.6 | 118.7 | -174.1 | -74.2 | -89.8 | 0 | 0 | 0 | 108.9 | E4 L5 | Y2-E4 PolarHBondContact O-N 3.26Å; Y2-L5 HydrophobicContact CD2-CD1 4.49Å; Y2-L5 PolarHBondContact O-N 2.92Å | ||
| 3 | P | 53 | Low | 59.2 | Low | 98 Ų | 98 | 131.7 Ų | 131.7 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -6.3 | -176.8 | 24.5 | -32.8 | 0 | 0 | 0 | 114.1 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.44Š|
| 4 | E | 52.1 | Low | 61.2 | Low | 164 Ų | 164 | 124.9 Ų | 124.9 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -17.9 | 171.7 | -63.7 | -165.3 | 159.6 | 0 | 0 | 113.6 | Y2 | Y2-E4 PolarHBondContact O-N 3.26Š|
| 5 | L | 45.9 | Very low | 63.1 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -80.9 | -18.8 | 175.8 | -73.1 | 165.6 | 0 | 0 | 0 | 112.9 | Y2 K7 | Y2-L5 HydrophobicContact CD2-CD1 4.49Å; Y2-L5 PolarHBondContact O-N 2.92Å; L5-K7 VanDerWaalsContact C-N 3.32Å |
| 6 | D | 50.3 | Low | 64.8 | Low | 116 Ų | 116 | 115.1 Ų | 115.1 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -83.1 | -6.4 | 178.2 | -74.8 | -28.2 | 0 | 0 | 0 | 113.4 | C8 | D6-C8 PolarHBondContact O-N 3.3Š|
| 7 | K | 59.5 | Low | 66.4 | Low | 166 Ų | 166 | 114.2 Ų | 114.2 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -91.1 | 102.4 | 178.2 | -70.4 | -176.2 | -178.5 | 176.4 | 0 | 109.5 | L5 | L5-K7 VanDerWaalsContact C-N 3.32Š|
| 8 | C | 54.9 | Low | 68 | Low | 115 Ų | 115 | 109.7 Ų | 109.7 | 78% | 0.777 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.9 | 168.7 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | D6 R10 | D6-C8 PolarHBondContact O-N 3.3Å; C8-R10 PolarHBondContact O-N 2.96Å |
| 9 | P | 63.3 | Low | 69.4 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 142 | 165.7 | 26.2 | -31.6 | 0 | 0 | 0 | 108 | S11 | P9-S11 PolarHBondContact O-N 3.43Š|
| 10 | R | 66.5 | Low | 70.5 | Confident | 197 Ų | 197 | 101.4 Ų | 101.4 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 133 | 174.2 | -69.1 | -179.5 | 176.5 | 177.8 | -2 | 107.3 | C8 S355 | C8-R10 PolarHBondContact O-N 2.96Å; R10-S355 WeakPolarHBondContact O-CA 3.24Å; R10-S355 WeakPolarHBondContact O-CB 3.19Å; R10-S355 PolarHBondContact O-N 2.8Å |
| 11 | S | 70.9 | Confident | 71.5 | Confident | 81 Ų | 81 | 104.1 Ų | 104.1 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | trans | -129.4 | 142 | 163.2 | 53.2 | 0 | 0 | 0 | 0 | 106.6 | P9 | P9-S11 PolarHBondContact O-N 3.43Š| ||
| 12 | L | 78.4 | Confident | 73.8 | Confident | 88 Ų | 88 | 99 Ų | 99 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116 | 175.5 | -170.6 | 78.4 | 0 | 0 | 0 | 107.5 | V14 T353 C359 | L12-V14 HydrophobicContact CD2-CG2 4Å; L12-V14 HydrophobicContact CG-CG2 4.05Å; L12-T353 PolarHBondContact N-O 3.42Å; L12-T353 PolarHBondContact O-N 3.39Å; L12-C359 HydrophobicContact CD2-CB 3.71Å |
| 13 | L | 84.8 | Confident | 75.9 | Confident | 64 Ų | 64 | 99.6 Ų | 99.6 | 34% | 0.335 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.7 | 171.2 | -177.4 | 53.4 | 0 | 0 | 0 | 107.7 | H236 L239 H350 M351 | L13-H236 VanDerWaalsContact CD2-CD2 3.44Å; L13-H236 WeakPolarHBondContact CD2-CD2 3.37Å; L13-L239 HydrophobicContact CD1-CD2 3.66Å; L13-L239 HydrophobicContact CD2-CD2 3.69Å; L13-L239 HydrophobicContact CG-CD2 4.3Å; L13-H350 HydrophobicContact CD1-CB 4.33Å; L13-M351 WeakPolarHBondContact CA-O 2.92Å; L13-M351 WeakPolarHBondContact CD1-O 3.27Å |
| 14 | V | 87.3 | Confident | 77.7 | Confident | 37 Ų | 37 | 103 Ų | 103 | 22% | 0.224 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.5 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | L12 E16 H350 M351 C359 | L12-V14 HydrophobicContact CD2-CG2 4Å; L12-V14 HydrophobicContact CG-CG2 4.05Å; V14-E16 HydrophobicContact CG1-CG 4.01Å; V14-H350 CarbonylContact O-C 3.52Å; V14-H350 VanDerWaalsContact O-CA 3.25Å; V14-H350 WeakPolarHBondContact O-CA 3.4Å; V14-M351 HydrophobicContact CB-CE 4.32Å; V14-M351 HydrophobicContact CG1-CE 4.12Å; V14-M351 PolarHBondContact N-O 3.35Å; V14-M351 PolarHBondContact O-N 3.23Å; V14-C359 HydrophobicContact CG2-CB 4.32Å |
| 15 | C | 89.4 | Confident | 79.5 | Confident | 31 Ų | 31 | 96.1 Ų | 96.1 | 21% | 0.209 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.3 | 172.5 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | P235 L349 H350 | C15-P235 HydrophobicContact CB-CB 4.46Å; C15-P235 WeakPolarHBondContact SG-CB 3.48Å; C15-L349 CarbonylContact C-O 3.5Å; C15-L349 WeakPolarHBondContact CA-O 3.11Å; C15-H350 PolarHBondContact SG-NE2 2.82Å |
| 16 | E | 91.4 | Very high | 81.6 | Confident | 61 Ų | 61 | 95 Ų | 95 | 29% | 0.285 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.8 | 176.8 | -59.7 | -174.3 | 168.9 | 0 | 0 | 110.5 | V14 W348 L349 | V14-E16 HydrophobicContact CG1-CG 4.01Å; E16-W348 CarbonylContact O-C 3.58Å; E16-W348 VanDerWaalsContact O-CA 3.3Å; E16-W348 WeakPolarHBondContact O-CA 3.36Å; E16-L349 HydrophobicContact CB-CB 4.46Å; E16-L349 PolarHBondContact N-O 3.02Å; E16-L349 PolarHBondContact O-N 3.08Å |
| 17 | K | 92.1 | Very high | 83.5 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.3 | 168.1 | 73.2 | 176.5 | 179.7 | 174.2 | 0 | 110.7 | L224 L226 Y347 | K17-L224 PolarHBondContact NZ-O 3.13Å; K17-L226 HydrophobicContact CB-CD1 4.08Å; K17-L226 HydrophobicContact CB-CD2 4.29Å; K17-L226 HydrophobicContact CB-CG 4.48Å; K17-L226 HydrophobicContact CD-CD1 3.84Å; K17-L226 HydrophobicContact CD-CG 4.11Å; K17-L226 HydrophobicContact CG-CD1 3.84Å; K17-L226 HydrophobicContact CG-CG 4.5Å; K17-Y347 WeakPolarHBondContact CA-O 3.35Å |
| 18 | S | 94.2 | Very high | 85 | Confident | 33 Ų | 33 | 85.4 Ų | 85.4 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -175.3 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | S25 D346 Y347 | S18-S25 PolarHBondContact OG-OG 3.27Å; S18-D346 WeakPolarHBondContact O-CA 3.26Å; S18-Y347 VanDerWaalsContact CB-CZ 3.41Å; S18-Y347 VanDerWaalsContact CB-OH 3.31Å; S18-Y347 WeakPolarHBondContact CB-OH 3.4Å; S18-Y347 PolarHBondContact N-O 3.41Å; S18-Y347 VanDerWaalsContact N-O 3.09Å; S18-Y347 PolarHBondContact O-N 3.42Å; S18-Y347 PolarHBondContact OG-OH 2.93Å |
| 19 | N | 94.3 | Very high | 86.6 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.1 | 176.6 | -175.8 | -74 | 0 | 0 | 0 | 108.9 | E21 H22 S25 N344 Q345 D346 | N19-E21 PolarHBondContact O-N 3.29Å; N19-E21 WeakPolarHBondContact OD1-CB 3.33Å; N19-E21 PolarHBondContact OD1-N 2.79Å; N19-H22 HydrophobicContact CB-CB 4.26Å; N19-H22 PolarHBondContact O-N 3.36Å; N19-S25 WeakPolarHBondContact O-CB 3.41Å; N19-S25 PolarHBondContact O-OG 3.44Å; N19-N344 PolarHBondContact ND2-O 3.32Å; N19-Q345 CarbonylContact C-O 3.53Å; N19-Q345 WeakPolarHBondContact CA-O 3.47Å; N19-Q345 VanDerWaalsContact ND2-C 3.35Å; N19-Q345 PolarHBondContact ND2-O 3.29Å; N19-D346 PolarHBondContact ND2-OD1 3.32Å |
| 20 | F | 92.1 | Very high | 87.8 | Confident | 19 Ų | 19 | 79 Ų | 79 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.1 | -178.7 | -70.8 | -66.2 | 0 | 0 | 0 | 112.9 | H27 L292 Q296 L341 Q345 Y347 | F20-H27 HydrophobicContact CD1-CB 4.44Å; F20-H27 AromaticContact CD1-CD2 3.64Å; F20-H27 AromaticContact CD1-CE1 3.79Å; F20-H27 AromaticContact CD1-CG 3.75Å; F20-H27 AromaticContact CD1-ND1 3.82Å; F20-H27 AromaticContact CD1-NE2 3.64Å; F20-H27 HydrophobicContact CE1-CB 4.14Å; F20-H27 AromaticContact CE1-CD2 3.9Å; F20-H27 AromaticContact CE1-CG 3.91Å; F20-H27 PolarHBondContact O-CE1 3.33Å; F20-L292 HydrophobicContact CE1-CD1 4.41Å; F20-L292 HydrophobicContact CZ-CD1 4.32Å; F20-Q296 HydrophobicContact CD1-CG 4.33Å; F20-Q296 HydrophobicContact CD2-CG 4.02Å; F20-Q296 HydrophobicContact CE1-CG 4.28Å; F20-Q296 HydrophobicContact CE2-CG 3.96Å; F20-Q296 HydrophobicContact CG-CG 4.22Å; F20-Q296 HydrophobicContact CZ-CG 4.1Å; F20-L341 HydrophobicContact CE2-CB 4.37Å; F20-L341 HydrophobicContact CE2-CD2 3.65Å; F20-L341 HydrophobicContact CE2-CG 3.74Å; F20-L341 HydrophobicContact CZ-CD2 3.64Å; F20-L341 HydrophobicContact CZ-CG 3.7Å; F20-Q345 WeakPolarHBondContact CD2-O 3.25Å; F20-Q345 PolarHBondContact N-O 2.89Å; F20-Y347 AromaticContact CD1-CD1 3.8Å; F20-Y347 HydrophobicContact CD1-CD1 3.8Å; F20-Y347 AromaticContact CD1-CE1 3.97Å; F20-Y347 HydrophobicContact CD1-CE1 3.97Å; F20-Y347 AromaticContact CD2-CD1 3.99Å; F20-Y347 HydrophobicContact CD2-CD1 3.99Å; F20-Y347 AromaticContact CE1-CD1 3.61Å; F20-Y347 HydrophobicContact CE1-CD1 3.61Å; F20-Y347 AromaticContact CE1-CE1 4Å; F20-Y347 HydrophobicContact CE1-CE1 4Å; F20-Y347 HydrophobicContact CE1-CG 4.12Å; F20-Y347 AromaticContact CE2-CD1 3.8Å; F20-Y347 HydrophobicContact CE2-CD1 3.8Å; F20-Y347 HydrophobicContact CE2-CG 4.13Å; F20-Y347 AromaticContact CG-CD1 3.98Å; F20-Y347 HydrophobicContact CG-CD1 3.98Å; F20-Y347 HydrophobicContact CG-CE1 4.39Å; F20-Y347 AromaticContact CZ-CD1 3.6Å; F20-Y347 HydrophobicContact CZ-CD1 3.6Å; F20-Y347 HydrophobicContact CZ-CE1 4.44Å; F20-Y347 AromaticContact CZ-CG 3.79Å; F20-Y347 HydrophobicContact CZ-CG 3.79Å |
| 21 | E | 92.1 | Very high | 89.1 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8 | -179.4 | -56.4 | -174.9 | 162.5 | 0 | 0 | 113.1 | N19 E23 | N19-E21 PolarHBondContact O-N 3.29Å; N19-E21 WeakPolarHBondContact OD1-CB 3.33Å; N19-E21 PolarHBondContact OD1-N 2.79Å; E21-E23 PolarHBondContact O-N 3.23Å |
| 22 | H | 92.4 | Very high | 90 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | trans | -73.1 | 129.1 | -178.8 | -167.3 | -38 | 0 | 0 | 0 | 110.9 | N19 K24 S25 | N19-H22 HydrophobicContact CB-CB 4.26Å; N19-H22 PolarHBondContact O-N 3.36Å; H22-K24 PolarHBondContact ND1-N 2.97Å; H22-K24 VanDerWaalsContact ND1-N 3.16Å; H22-K24 PolarHBondContact O-N 2.65Å; H22-S25 WeakPolarHBondContact O-CB 3.17Å; H22-S25 PolarHBondContact O-N 2.93Å | ||
| 23 | E | 89.3 | Confident | 90.5 | Very high | 195 Ų | 195 | 69.4 Ų | 69.4 | 91% | 0.911 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.3 | -179.4 | -61.8 | -179.3 | 167.7 | 0 | 0 | 115.8 | E21 | E21-E23 PolarHBondContact O-N 3.23Š|
| 24 | K | 90.1 | Very high | 90.8 | Very high | 168 Ų | 168 | 66.3 Ų | 66.3 | 73% | 0.73 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 3.2 | -179.2 | -63.6 | -177.2 | -178.9 | 176.1 | 0 | 112.3 | H22 | H22-K24 PolarHBondContact ND1-N 2.97Å; H22-K24 VanDerWaalsContact ND1-N 3.16Å; H22-K24 PolarHBondContact O-N 2.65Å |
| 25 | S | 90.4 | Very high | 91.1 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | trans | -63.4 | 132.5 | 178.1 | -160.4 | 0 | 0 | 0 | 0 | 109.6 | S18 N19 H22 H27 Y347 | S18-S25 PolarHBondContact OG-OG 3.27Å; N19-S25 WeakPolarHBondContact O-CB 3.41Å; N19-S25 PolarHBondContact O-OG 3.44Å; H22-S25 WeakPolarHBondContact O-CB 3.17Å; H22-S25 PolarHBondContact O-N 2.93Å; S25-H27 PolarHBondContact OG-ND1 3.22Å; S25-Y347 WeakPolarHBondContact OG-CE1 3.48Å; S25-Y347 PolarHBondContact OG-OH 3.04Å | ||
| 26 | R | 89.3 | Confident | 91.3 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | trans | -112.4 | 11.3 | -174.2 | -64.2 | -173.4 | -173.7 | 162.7 | 8 | 113.6 | D28 T29 H30 P361 | R26-D28 PolarHBondContact O-N 2.52Å; R26-T29 WeakPolarHBondContact O-CA 3.46Å; R26-T29 WeakPolarHBondContact O-CB 3.48Å; R26-T29 PolarHBondContact O-N 3.31Å; R26-H30 PolarHBondContact O-CD2 3.08Å; R26-H30 PolarHBondContact O-N 3.22Å; R26-P361 PolarHBondContact NH1-O 3.4Å; R26-P361 PolarHBondContact NH1-OXT 2.68Å | ||
| 27 | H | 90.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -50 | -44.8 | -179.4 | 57.5 | -82.2 | 0 | 0 | 0 | 112.1 | F20 S25 T29 H30 V31 Y347 | F20-H27 HydrophobicContact CD1-CB 4.44Å; F20-H27 AromaticContact CD1-CD2 3.64Å; F20-H27 AromaticContact CD1-CE1 3.79Å; F20-H27 AromaticContact CD1-CG 3.75Å; F20-H27 AromaticContact CD1-ND1 3.82Å; F20-H27 AromaticContact CD1-NE2 3.64Å; F20-H27 HydrophobicContact CE1-CB 4.14Å; F20-H27 AromaticContact CE1-CD2 3.9Å; F20-H27 AromaticContact CE1-CG 3.91Å; F20-H27 PolarHBondContact O-CE1 3.33Å; S25-H27 PolarHBondContact OG-ND1 3.22Å; H27-T29 VanDerWaalsContact C-N 3.32Å; H27-T29 PolarHBondContact O-N 3.18Å; H27-H30 PolarHBondContact O-N 3.14Å; H27-V31 WeakPolarHBondContact O-CG2 3.36Å; H27-V31 PolarHBondContact O-N 3.18Å; H27-Y347 HydrophobicContact CB-CE1 4.24Å; H27-Y347 HydrophobicContact CB-CE2 4.46Å |
| 28 | D | 90.5 | Very high | 91.6 | Very high | 65 Ų | 65 | 61 Ų | 61 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 174.8 | -67 | -2.9 | 0 | 0 | 0 | 112.7 | R26 S32 Y289 | R26-D28 PolarHBondContact O-N 2.52Å; D28-S32 VanDerWaalsContact O-CB 3.24Å; D28-S32 WeakPolarHBondContact O-CB 3.47Å; D28-S32 PolarHBondContact O-N 3.44Å; D28-S32 PolarHBondContact O-OG 2.74Å; D28-Y289 HydrophobicContact CB-CE2 4.37Å; D28-Y289 WeakPolarHBondContact OD1-CE2 3.17Å; D28-Y289 PolarHBondContact OD1-OH 3.11Å; D28-Y289 PolarHBondContact OD2-OH 2.98Å |
| 29 | T | 89.6 | Confident | 91.7 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | -179.2 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | R26 H27 S32 K33 | R26-T29 WeakPolarHBondContact O-CA 3.46Å; R26-T29 WeakPolarHBondContact O-CB 3.48Å; R26-T29 PolarHBondContact O-N 3.31Å; H27-T29 VanDerWaalsContact C-N 3.32Å; H27-T29 PolarHBondContact O-N 3.18Å; T29-S32 WeakPolarHBondContact CA-OG 3.27Å; T29-S32 PolarHBondContact O-OG 3Å; T29-K33 HydrophobicContact CG2-CD 3.71Å; T29-K33 HydrophobicContact CG2-CG 4.22Å; T29-K33 VanDerWaalsContact O-CB 3.24Å; T29-K33 WeakPolarHBondContact O-CB 3.44Å; T29-K33 WeakPolarHBondContact O-CG 3.1Å; T29-K33 PolarHBondContact O-N 2.75Å |
| 30 | H | 89 | Confident | 91.9 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.8 | -65.1 | -68.6 | 0 | 0 | 0 | 111.1 | R26 H27 H34 W322 L349 P361 | R26-H30 PolarHBondContact O-CD2 3.08Å; R26-H30 PolarHBondContact O-N 3.22Å; H27-H30 PolarHBondContact O-N 3.14Å; H30-H34 PolarHBondContact O-N 3.34Å; H30-W322 HydrophobicContact CB-CZ3 4.25Å; H30-W322 WeakPolarHBondContact O-CZ3 3.34Å; H30-L349 HydrophobicContact CB-CD2 4.47Å; H30-L349 VanDerWaalsContact CD2-CD2 3.4Å; H30-L349 WeakPolarHBondContact CD2-CD2 3.34Å; H30-P361 PolarHBondContact CE1-O 3.46Å |
| 31 | V | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -50.6 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | H27 K33 H34 I288 L292 Y337 L339 | H27-V31 WeakPolarHBondContact O-CG2 3.36Å; H27-V31 PolarHBondContact O-N 3.18Å; V31-K33 PolarHBondContact O-N 2.71Å; V31-H34 PolarHBondContact O-N 2.74Å; V31-I288 HydrophobicContact CG1-CB 4.25Å; V31-I288 HydrophobicContact CG1-CG2 4.01Å; V31-L292 HydrophobicContact CG2-CD2 3.95Å; V31-Y337 HydrophobicContact CG2-CE2 4.11Å; V31-L339 HydrophobicContact CG2-CD1 4.44Å |
| 32 | S | 89.9 | Confident | 92.4 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68 | -29.5 | -175.6 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | D28 T29 Y35 | D28-S32 VanDerWaalsContact O-CB 3.24Å; D28-S32 WeakPolarHBondContact O-CB 3.47Å; D28-S32 PolarHBondContact O-N 3.44Å; D28-S32 PolarHBondContact O-OG 2.74Å; T29-S32 WeakPolarHBondContact CA-OG 3.27Å; T29-S32 PolarHBondContact O-OG 3Å; S32-Y35 WeakPolarHBondContact O-CD1 3.47Å; S32-Y35 WeakPolarHBondContact O-CE1 3.24Å |
| 33 | K | 89.4 | Confident | 92.6 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.2 | 178.8 | -68 | -171.8 | 176.3 | 178.6 | 0 | 114 | T29 V31 Y35 G323 | T29-K33 HydrophobicContact CG2-CD 3.71Å; T29-K33 HydrophobicContact CG2-CG 4.22Å; T29-K33 VanDerWaalsContact O-CB 3.24Å; T29-K33 WeakPolarHBondContact O-CB 3.44Å; T29-K33 WeakPolarHBondContact O-CG 3.1Å; T29-K33 PolarHBondContact O-N 2.75Å; V31-K33 PolarHBondContact O-N 2.71Å; K33-Y35 PolarHBondContact O-N 3.16Å; K33-G323 PolarHBondContact O-N 3.22Å |
| 34 | H | 91.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -98.1 | 83.6 | 173.5 | -171 | -88 | 0 | 0 | 0 | 109.4 | H30 V31 N37 G314 W322 N335 Y337 | H30-H34 PolarHBondContact O-N 3.34Å; V31-H34 PolarHBondContact O-N 2.74Å; H34-N37 PolarHBondContact CE1-OD1 3.47Å; H34-N37 PolarHBondContact ND1-OD1 3.5Å; H34-N37 PolarHBondContact O-ND2 2.95Å; H34-N37 PolarHBondContact O-OD1 3.08Å; H34-G314 VanDerWaalsContact CE1-CA 3.49Å; H34-G314 WeakPolarHBondContact CE1-CA 3.44Å; H34-W322 HydrophobicContact CB-CE3 3.97Å; H34-W322 HydrophobicContact CB-CH2 4.34Å; H34-W322 HydrophobicContact CB-CZ3 3.74Å; H34-W322 AromaticContact CD2-CD2 3.94Å; H34-W322 AromaticContact CD2-CE2 3.85Å; H34-W322 AromaticContact CD2-CE3 3.94Å; H34-W322 AromaticContact CD2-CH2 3.89Å; H34-W322 AromaticContact CD2-CZ2 3.83Å; H34-W322 AromaticContact CD2-CZ3 3.93Å; H34-N335 VanDerWaalsContact NE2-CG 3.31Å; H34-N335 PolarHBondContact NE2-ND2 2.91Å; H34-N335 VanDerWaalsContact NE2-ND2 3.19Å; H34-N335 PolarHBondContact NE2-OD1 2.92Å; H34-Y337 HydrophobicContact CB-CE1 3.93Å; H34-Y337 AromaticContact CG-CE1 3.77Å; H34-Y337 AromaticContact ND1-CE1 3.82Å | ||
| 35 | Y | 92.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | trans | -70.7 | -40.2 | -161.9 | -60.9 | -49.6 | 0 | 0 | 0 | 114.9 | S32 K33 Y91 L108 P109 G323 | S32-Y35 WeakPolarHBondContact O-CD1 3.47Å; S32-Y35 WeakPolarHBondContact O-CE1 3.24Å; K33-Y35 PolarHBondContact O-N 3.16Å; Y35-Y91 HydrophobicContact CD1-CE1 4.06Å; Y35-Y91 HydrophobicContact CG-CE1 4.48Å; Y35-L108 HydrophobicContact CD2-CD1 4.1Å; Y35-L108 HydrophobicContact CD2-CD2 3.65Å; Y35-L108 HydrophobicContact CD2-CG 4.32Å; Y35-L108 HydrophobicContact CE2-CD1 3.94Å; Y35-L108 HydrophobicContact CE2-CD2 4.31Å; Y35-L108 HydrophobicContact CG-CD2 4.29Å; Y35-P109 HydrophobicContact CD1-CG 3.55Å; Y35-P109 HydrophobicContact CE1-CG 3.53Å; Y35-P109 HydrophobicContact CG-CG 4.25Å; Y35-G323 WeakPolarHBondContact CD2-O 3.47Å; Y35-G323 WeakPolarHBondContact CE2-O 3.46Å | ||
| 36 | F | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | trans | -108.2 | 94.7 | -173.2 | -62.3 | -65.6 | 0 | 0 | 0 | 111.1 | A92 L93 A106 L108 L282 G314 F315 S318 | F36-A92 WeakPolarHBondContact CE1-O 3.47Å; F36-A92 WeakPolarHBondContact CZ-O 3.11Å; F36-L93 HydrophobicContact CB-CD2 4.3Å; F36-L93 HydrophobicContact CD1-CB 3.91Å; F36-L93 HydrophobicContact CD1-CD2 4.13Å; F36-L93 HydrophobicContact CD1-CG 4.45Å; F36-L93 HydrophobicContact CE1-CB 3.79Å; F36-L93 HydrophobicContact CG-CD2 4.2Å; F36-L93 HydrophobicContact CZ-CB 4.41Å; F36-A106 HydrophobicContact CE2-CB 3.66Å; F36-A106 HydrophobicContact CZ-CB 3.69Å; F36-L108 HydrophobicContact CD2-CD2 4.49Å; F36-L108 HydrophobicContact CE2-CD2 3.48Å; F36-L108 VanDerWaalsContact CE2-CD2 3.48Å; F36-L108 HydrophobicContact CZ-CD2 3.85Å; F36-L282 HydrophobicContact CD1-CD1 4.4Å; F36-G314 WeakPolarHBondContact O-CA 3.18Å; F36-F315 HydrophobicContact CB-CD2 3.92Å; F36-F315 PolarHBondContact O-N 2.72Å; F36-F315 VanDerWaalsContact O-N 3.15Å; F36-S318 WeakPolarHBondContact CD2-OG 3.21Å | ||
| 37 | N | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128 | -178.8 | -51 | -87.9 | 0 | 0 | 0 | 111 | H34 L283 I288 V312 F315 | H34-N37 PolarHBondContact CE1-OD1 3.47Å; H34-N37 PolarHBondContact ND1-OD1 3.5Å; H34-N37 PolarHBondContact O-ND2 2.95Å; H34-N37 PolarHBondContact O-OD1 3.08Å; N37-L283 HydrophobicContact CB-CB 3.99Å; N37-L283 WeakPolarHBondContact CB-O 3.35Å; N37-L283 PolarHBondContact ND2-O 2.92Å; N37-L283 PolarHBondContact O-N 3.38Å; N37-I288 HydrophobicContact CB-CD1 3.53Å; N37-I288 WeakPolarHBondContact ND2-CD1 3.14Å; N37-I288 WeakPolarHBondContact OD1-CD1 3.43Å; N37-V312 HydrophobicContact CB-CG1 4.07Å; N37-V312 WeakPolarHBondContact OD1-CG1 3.31Å; N37-F315 VanDerWaalsContact O-CE2 3.31Å; N37-F315 WeakPolarHBondContact O-CE2 3.44Å |
| 38 | H | 95.3 | Very high | 93 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 38% | 0.375 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -44.6 | 179.7 | 178.5 | 50.6 | 0 | 0 | 0 | 112.9 | S280 G281 H313 F315 | H38-S280 CarbonylContact O-C 3.57Å; H38-S280 WeakPolarHBondContact O-CA 3.4Å; H38-G281 WeakPolarHBondContact CA-O 3.37Å; H38-G281 PolarHBondContact ND1-O 3Å; H38-G281 PolarHBondContact O-N 3.13Å; H38-G281 VanDerWaalsContact O-O 3.07Å; H38-H313 PolarHBondContact N-O 3.4Å; H38-F315 HydrophobicContact CB-CD1 4.3Å; H38-F315 HydrophobicContact CB-CD2 3.93Å; H38-F315 HydrophobicContact CB-CE1 4.28Å; H38-F315 HydrophobicContact CB-CE2 3.91Å; H38-F315 HydrophobicContact CB-CG 4.14Å; H38-F315 HydrophobicContact CB-CZ 4.09Å; H38-F315 AromaticContact ND1-CE1 3.87Å; H38-F315 AromaticContact ND1-CZ 3.86Å |
| 39 | K | 96.5 | Very high | 92.9 | Very high | 60 Ų | 60 | 27.9 Ų | 27.9 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 132.9 | -172.3 | -179.1 | -179.4 | 179.5 | -169.7 | 0 | 110.9 | S41 V279 V312 H313 | K39-S41 WeakPolarHBondContact CE-OG 3.38Å; K39-V279 CarbonylContact C-O 3.58Å; K39-V279 WeakPolarHBondContact CA-O 3.39Å; K39-V312 CarbonylContact O-C 3.51Å; K39-V312 WeakPolarHBondContact O-CA 3.32Å; K39-H313 HydrophobicContact CB-CB 4.32Å; K39-H313 PolarHBondContact N-O 3.32Å; K39-H313 VanDerWaalsContact N-O 3.12Å; K39-H313 PolarHBondContact O-N 3.23Å |
| 40 | V | 97.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.4 | 169 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | V42 T278 V279 L283 I288 L291 L310 T311 V312 | V40-V42 HydrophobicContact CG1-CG2 4.29Å; V40-T278 CarbonylContact O-C 3.55Å; V40-T278 WeakPolarHBondContact O-CA 3.37Å; V40-V279 PolarHBondContact N-O 3.09Å; V40-V279 PolarHBondContact O-N 2.5Å; V40-L283 HydrophobicContact CB-CD1 4.07Å; V40-L283 HydrophobicContact CG2-CD1 3.51Å; V40-I288 HydrophobicContact CG2-CD1 4Å; V40-I288 HydrophobicContact CG2-CG1 3.89Å; V40-L291 HydrophobicContact CG1-CD2 3.85Å; V40-L310 HydrophobicContact CG1-CD1 3.39Å; V40-T311 CarbonylContact C-O 3.59Å; V40-T311 WeakPolarHBondContact CA-O 3.48Å; V40-V312 HydrophobicContact CG2-CG1 4.13Å; V40-V312 HydrophobicContact CG2-CG2 4.06Å |
| 41 | S | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.3 | 176.1 | -48.5 | 0 | 0 | 0 | 0 | 109.3 | K39 C277 T311 | K39-S41 WeakPolarHBondContact CE-OG 3.38Å; S41-C277 CarbonylContact C-O 3.6Å; S41-C277 WeakPolarHBondContact CA-O 3.23Å; S41-T311 PolarHBondContact N-O 3.49Å; S41-T311 PolarHBondContact O-N 3.29Å |
| 42 | V | 97.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.3 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | V40 I44 H276 C277 L291 L295 S309 L310 | V40-V42 HydrophobicContact CG1-CG2 4.29Å; V42-I44 HydrophobicContact CG1-CD1 4.05Å; V42-I44 HydrophobicContact CG1-CG1 3.78Å; V42-H276 WeakPolarHBondContact O-CA 3.16Å; V42-C277 PolarHBondContact N-O 2.79Å; V42-C277 PolarHBondContact O-N 2.82Å; V42-L291 HydrophobicContact CG2-CD2 4.13Å; V42-L295 HydrophobicContact CG1-CD1 4.28Å; V42-L295 HydrophobicContact CG1-CD2 3.88Å; V42-L295 HydrophobicContact CG2-CD1 4.17Å; V42-S309 VanDerWaalsContact CA-O 3.28Å; V42-S309 WeakPolarHBondContact CA-O 3.38Å; V42-L310 HydrophobicContact CG2-CD1 3.7Å |
| 43 | V | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124 | 172.8 | -178 | 0 | 0 | 0 | 0 | 109.8 | L242 L275 H276 L308 S309 | V43-L242 HydrophobicContact CB-CD1 4.02Å; V43-L242 HydrophobicContact CG2-CD1 3.73Å; V43-L275 CarbonylContact C-O 3.48Å; V43-L275 VanDerWaalsContact CA-O 3.28Å; V43-L275 WeakPolarHBondContact CA-O 3.38Å; V43-H276 HydrophobicContact CG2-CB 4.37Å; V43-L308 WeakPolarHBondContact O-CA 3.5Å; V43-S309 WeakPolarHBondContact CB-OG 3.47Å; V43-S309 PolarHBondContact N-O 3.03Å; V43-S309 PolarHBondContact O-N 3.46Å |
| 44 | I | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 102.9 | 179.2 | -46.1 | -175.1 | 0 | 0 | 0 | 109.1 | V42 C47 L54 A274 L275 L295 F298 T305 L308 | V42-I44 HydrophobicContact CG1-CD1 4.05Å; V42-I44 HydrophobicContact CG1-CG1 3.78Å; I44-C47 HydrophobicContact CB-CB 3.99Å; I44-C47 HydrophobicContact CG2-CB 3.76Å; I44-L54 HydrophobicContact CD1-CD1 3.94Å; I44-A274 WeakPolarHBondContact O-CA 3.21Å; I44-L275 HydrophobicContact CB-CB 4.27Å; I44-L275 HydrophobicContact CD1-CD2 4.19Å; I44-L275 PolarHBondContact N-O 3.39Å; I44-L275 PolarHBondContact O-N 3.17Å; I44-L295 HydrophobicContact CD1-CD2 4.23Å; I44-F298 HydrophobicContact CD1-CE2 4.39Å; I44-F298 HydrophobicContact CG2-CE1 3.8Å; I44-F298 HydrophobicContact CG2-CE2 4.38Å; I44-F298 HydrophobicContact CG2-CZ 3.64Å; I44-T305 HydrophobicContact CG2-CG2 4.42Å; I44-L308 HydrophobicContact CG1-CB 4.24Å; I44-L308 HydrophobicContact CG2-CB 4.42Å |
| 45 | P | 94.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 149.8 | 171.7 | -19.2 | 30.9 | 0 | 0 | 0 | 111.9 | C47 V271 T305 W307 | P45-C47 PolarHBondContact O-N 3.05Å; P45-V271 HydrophobicContact CB-CG1 4.28Å; P45-V271 HydrophobicContact CB-CG2 4.41Å; P45-T305 VanDerWaalsContact O-CB 3.25Å; P45-T305 WeakPolarHBondContact O-CB 3.49Å; P45-W307 WeakPolarHBondContact CD-O 3.49Å; P45-W307 HydrophobicContact CG-CD2 4.12Å; P45-W307 HydrophobicContact CG-CE3 4.1Å; P45-W307 HydrophobicContact CG-CH2 3.45Å; P45-W307 VanDerWaalsContact CG-CH2 3.45Å; P45-W307 HydrophobicContact CG-CZ2 3.51Å; P45-W307 HydrophobicContact CG-CZ3 3.77Å |
| 46 | G | 91.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 10.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V271 Q273 | G46-V271 VanDerWaalsContact N-CG1 3.3Å; G46-Q273 CarbonylContact C-O 3.5Å; G46-Q273 WeakPolarHBondContact CA-O 3.35Å; G46-Q273 PolarHBondContact N-O 3.33Å |
| 47 | C | 89.9 | Confident | 93.7 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | trans | -117.9 | 124.9 | -177.9 | -163.9 | 0 | 0 | 0 | 0 | 110.3 | I44 P45 A49 Q273 A274 L275 | I44-C47 HydrophobicContact CB-CB 3.99Å; I44-C47 HydrophobicContact CG2-CB 3.76Å; P45-C47 PolarHBondContact O-N 3.05Å; C47-A49 PolarHBondContact SG-O 3.14Å; C47-Q273 PolarHBondContact N-O 2.91Å; C47-A274 CarbonylContact O-C 3.52Å; C47-A274 WeakPolarHBondContact O-CA 3.34Å; C47-L275 HydrophobicContact CB-CB 4.03Å; C47-L275 PolarHBondContact O-N 2.88Å | ||
| 48 | G | 86.9 | Confident | 93.7 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 24% | 0.237 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.3 | -22.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T212 | G48-T212 PolarHBondContact O-OG1 3Š|
| 49 | A | 89.1 | Confident | 93.7 | Very high | 67 Ų | 67 | 37 Ų | 37 | 55% | 0.554 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -155.3 | 155.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C47 S51 | C47-A49 PolarHBondContact SG-O 3.14Å; A49-S51 PolarHBondContact O-N 2.84Å |
| 50 | L | 88.4 | Confident | 93.6 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | trans | -64.6 | 129.2 | 177.4 | -165.4 | 68.3 | 0 | 0 | 0 | 110.8 | L54 A55 I58 L275 | L50-L54 HydrophobicContact CD1-CB 3.68Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CG-CB 4.02Å; L50-A55 HydrophobicContact CD2-CB 3.73Å; L50-A55 HydrophobicContact CG-CB 4.16Å; L50-I58 HydrophobicContact CD1-CD1 4.11Å; L50-I58 HydrophobicContact CD2-CD1 3.99Å; L50-L275 HydrophobicContact CB-CD2 4.26Å; L50-L275 HydrophobicContact CD1-CD2 3.84Å | ||
| 51 | S | 90.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | trans | -65.6 | 154.6 | 175.8 | 74 | 0 | 0 | 0 | 0 | 111 | A49 R53 L54 A55 | A49-S51 PolarHBondContact O-N 2.84Å; S51-R53 VanDerWaalsContact C-N 3.26Å; S51-R53 PolarHBondContact O-N 2.88Å; S51-L54 PolarHBondContact O-N 2.88Å; S51-L54 WeakPolarHBondContact OG-CB 3.34Å; S51-L54 WeakPolarHBondContact OG-CG 3.46Å; S51-L54 PolarHBondContact OG-N 2.88Å; S51-A55 WeakPolarHBondContact O-CB 3.48Å; S51-A55 PolarHBondContact O-N 2.85Å | ||
| 52 | S | 91.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 41.4 Ų | 41.4 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57.5 | -40.8 | 178.7 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | A55 T56 | S52-A55 PolarHBondContact O-N 2.85Å; S52-T56 PolarHBondContact O-N 3.21Å; S52-T56 PolarHBondContact O-OG1 3.46Å |
| 53 | R | 93.1 | Very high | 93.3 | Very high | 113 Ų | 113 | 45 Ų | 45 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 178.4 | -62.2 | 173.7 | 58.1 | -175.5 | -9.6 | 112 | S51 A55 T56 V57 E294 | S51-R53 VanDerWaalsContact C-N 3.26Å; S51-R53 PolarHBondContact O-N 2.88Å; R53-A55 PolarHBondContact O-N 3.35Å; R53-T56 PolarHBondContact O-N 2.85Å; R53-V57 WeakPolarHBondContact O-CG2 3.07Å; R53-V57 PolarHBondContact O-N 2.82Å; R53-V57 VanDerWaalsContact O-N 3.08Å; R53-E294 HydrophobicContact CB-CG 4.5Å; R53-E294 WeakPolarHBondContact CB-OE1 3.36Å; R53-E294 IonicContact CZ-OE1 2.82Å; R53-E294 IonicContact CZ-OE2 2.85Å; R53-E294 IonicContact NE-OE1 2.68Å; R53-E294 PolarHBondContact NE-OE1 3.28Å; R53-E294 IonicContact NE-OE2 2.97Å; R53-E294 IonicContact NH2-OE1 2.62Å; R53-E294 PolarHBondContact NH2-OE1 3.31Å; R53-E294 IonicContact NH2-OE2 3.93Å; R53-E294 PolarHBondContact NH2-OE2 2.83Å |
| 54 | L | 93.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.5 | -71 | 171.4 | 0 | 0 | 0 | 111.7 | I44 L50 S51 T56 V57 I58 L291 E294 L295 F298 | I44-L54 HydrophobicContact CD1-CD1 3.94Å; L50-L54 HydrophobicContact CD1-CB 3.68Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CG-CB 4.02Å; S51-L54 PolarHBondContact O-N 2.88Å; S51-L54 WeakPolarHBondContact OG-CB 3.34Å; S51-L54 WeakPolarHBondContact OG-CG 3.46Å; S51-L54 PolarHBondContact OG-N 2.88Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-T56 PolarHBondContact O-N 2.93Å; L54-V57 PolarHBondContact O-N 2.86Å; L54-I58 WeakPolarHBondContact O-CB 3.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.43Å; L54-L291 HydrophobicContact CD2-CD1 3.98Å; L54-E294 HydrophobicContact CD2-CB 4.27Å; L54-E294 HydrophobicContact CD2-CG 3.87Å; L54-L295 HydrophobicContact CD1-CD2 4.28Å; L54-L295 HydrophobicContact CD2-CD2 3.72Å; L54-L295 HydrophobicContact CD2-CG 4.14Å; L54-F298 HydrophobicContact CD1-CD2 4.47Å |
| 55 | A | 94.5 | Very high | 93.3 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L50 S51 S52 R53 I58 N59 | L50-A55 HydrophobicContact CD2-CB 3.73Å; L50-A55 HydrophobicContact CG-CB 4.16Å; S51-A55 WeakPolarHBondContact O-CB 3.48Å; S51-A55 PolarHBondContact O-N 2.85Å; S52-A55 PolarHBondContact O-N 2.85Å; R53-A55 PolarHBondContact O-N 3.35Å; A55-I58 PolarHBondContact O-N 3.22Å; A55-N59 VanDerWaalsContact O-CB 3.22Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-N 2.95Å; A55-N59 PolarHBondContact O-ND2 3.48Å |
| 56 | T | 96.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | S52 R53 L54 N59 N60 | S52-T56 PolarHBondContact O-N 3.21Å; S52-T56 PolarHBondContact O-OG1 3.46Å; R53-T56 PolarHBondContact O-N 2.85Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-T56 PolarHBondContact O-N 2.93Å; T56-N59 PolarHBondContact O-N 3.48Å; T56-N60 WeakPolarHBondContact O-CB 3.5Å; T56-N60 PolarHBondContact O-N 3.28Å; T56-N60 VanDerWaalsContact O-N 3.09Å; T56-N60 PolarHBondContact O-ND2 2.66Å |
| 57 | V | 96.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 46 Ų | 46 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | R53 L54 N59 N60 F61 L291 E294 | R53-V57 WeakPolarHBondContact O-CG2 3.07Å; R53-V57 PolarHBondContact O-N 2.82Å; R53-V57 VanDerWaalsContact O-N 3.08Å; L54-V57 PolarHBondContact O-N 2.86Å; V57-N59 PolarHBondContact O-N 2.85Å; V57-N60 PolarHBondContact O-N 2.95Å; V57-N60 VanDerWaalsContact O-N 3.12Å; V57-F61 HydrophobicContact CG1-CE1 4.14Å; V57-F61 WeakPolarHBondContact O-CD1 3.38Å; V57-F61 PolarHBondContact O-N 3.39Å; V57-L291 HydrophobicContact CG1-CB 4.13Å; V57-L291 HydrophobicContact CG1-CD1 4.48Å; V57-E294 HydrophobicContact CG2-CB 4.13Å; V57-E294 HydrophobicContact CG2-CG 4.05Å |
| 58 | I | 95.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | -180 | -71.3 | 165.2 | 0 | 0 | 0 | 112 | L50 L54 A55 N60 F61 V208 V279 L291 | L50-I58 HydrophobicContact CD1-CD1 4.11Å; L50-I58 HydrophobicContact CD2-CD1 3.99Å; L54-I58 WeakPolarHBondContact O-CB 3.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.43Å; A55-I58 PolarHBondContact O-N 3.22Å; I58-N60 PolarHBondContact O-N 2.89Å; I58-F61 WeakPolarHBondContact O-CB 3.19Å; I58-F61 WeakPolarHBondContact O-CG 3.31Å; I58-F61 PolarHBondContact O-N 3.43Å; I58-V208 HydrophobicContact CG2-CB 4.36Å; I58-V208 HydrophobicContact CG2-CG1 3.89Å; I58-V208 HydrophobicContact CG2-CG2 3.48Å; I58-V208 VanDerWaalsContact CG2-CG2 3.48Å; I58-V279 HydrophobicContact CD1-CG2 4.45Å; I58-V279 HydrophobicContact CG1-CG2 4.29Å; I58-V279 HydrophobicContact CG2-CG2 3.65Å; I58-L291 HydrophobicContact CD1-CD1 4.34Å; I58-L291 HydrophobicContact CG1-CD1 4.12Å |
| 59 | N | 94.4 | Very high | 94.6 | Very high | 108 Ų | 108 | 51 Ų | 51 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.4 | -20.5 | 178.9 | -73.4 | -32.7 | 0 | 0 | 0 | 113.3 | A55 T56 V57 | A55-N59 VanDerWaalsContact O-CB 3.22Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-N 2.95Å; A55-N59 PolarHBondContact O-ND2 3.48Å; T56-N59 PolarHBondContact O-N 3.48Å; V57-N59 PolarHBondContact O-N 2.85Å |
| 60 | N | 95 | Very high | 95 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.4 | 177.4 | -71.9 | -15.8 | 0 | 0 | 0 | 113.1 | T56 V57 I58 | T56-N60 WeakPolarHBondContact O-CB 3.5Å; T56-N60 PolarHBondContact O-N 3.28Å; T56-N60 VanDerWaalsContact O-N 3.09Å; T56-N60 PolarHBondContact O-ND2 2.66Å; V57-N60 PolarHBondContact O-N 2.95Å; V57-N60 VanDerWaalsContact O-N 3.12Å; I58-N60 PolarHBondContact O-N 2.89Å |
| 61 | F | 95.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -53.8 | 143.8 | 173.6 | -82.5 | 22.5 | 0 | 0 | 0 | 110.8 | V57 I58 P206 V279 L283 D287 L291 | V57-F61 HydrophobicContact CG1-CE1 4.14Å; V57-F61 WeakPolarHBondContact O-CD1 3.38Å; V57-F61 PolarHBondContact O-N 3.39Å; I58-F61 WeakPolarHBondContact O-CB 3.19Å; I58-F61 WeakPolarHBondContact O-CG 3.31Å; I58-F61 PolarHBondContact O-N 3.43Å; F61-P206 HydrophobicContact CB-CG 4Å; F61-V279 HydrophobicContact CD2-CG1 3.81Å; F61-V279 HydrophobicContact CE2-CB 4.4Å; F61-V279 HydrophobicContact CE2-CG1 3.99Å; F61-L283 HydrophobicContact CD2-CD2 4.12Å; F61-D287 HydrophobicContact CB-CB 4.42Å; F61-D287 HydrophobicContact CD1-CB 3.78Å; F61-D287 HydrophobicContact CD2-CB 4.16Å; F61-D287 HydrophobicContact CE1-CB 3.95Å; F61-D287 WeakPolarHBondContact CE1-O 3.48Å; F61-D287 HydrophobicContact CE2-CB 4.32Å; F61-D287 HydrophobicContact CG-CB 3.89Å; F61-D287 HydrophobicContact CZ-CB 4.21Å; F61-L291 HydrophobicContact CE1-CB 4.15Å; F61-L291 HydrophobicContact CZ-CB 4Å; F61-L291 HydrophobicContact CZ-CD2 3.9Å |
| 62 | S | 94.8 | Very high | 95.7 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 141.3 | -173.5 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | D287 | S62-D287 WeakPolarHBondContact CB-OD2 3.46Å; S62-D287 VanDerWaalsContact N-CG 3.34Å; S62-D287 PolarHBondContact N-OD1 2.91Å; S62-D287 PolarHBondContact N-OD2 2.89Å; S62-D287 PolarHBondContact OG-OD1 3.14Å; S62-D287 PolarHBondContact OG-OD2 3.17Å; S62-D287 VanDerWaalsContact OG-OD2 3.09Å |
| 63 | K | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 155.8 | 170.1 | -59.9 | 171.4 | 169.6 | -161.9 | 0 | 109.1 | E203 R205 | K63-E203 HydrophobicContact CB-CG 4.36Å; K63-E203 HydrophobicContact CD-CG 4.21Å; K63-E203 WeakPolarHBondContact CD-OE1 3.15Å; K63-E203 VanDerWaalsContact CE-OE1 3.31Å; K63-E203 WeakPolarHBondContact CE-OE1 3.22Å; K63-E203 IonicContact NZ-OE1 3.78Å; K63-E203 PolarHBondContact NZ-OE1 2.8Å; K63-E203 IonicContact NZ-OE2 3.13Å; K63-E203 PolarHBondContact NZ-OE2 2.66Å; K63-R205 HydrophobicContact CG-CG 4.03Å |
| 64 | Y | 96.4 | Very high | 96 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 160.5 | 173.2 | 64.5 | -87.1 | 0 | 0 | 0 | 110.7 | L178 L179 H204 P206 L282 | Y64-L178 HydrophobicContact CD2-CD2 4.13Å; Y64-L178 HydrophobicContact CE2-CD2 4.07Å; Y64-L179 CarbonylContact C-O 3.59Å; Y64-L179 VanDerWaalsContact CA-O 3.27Å; Y64-L179 WeakPolarHBondContact CA-O 3.39Å; Y64-L179 WeakPolarHBondContact CB-O 3.35Å; Y64-H204 HydrophobicContact CD1-CB 4.24Å; Y64-H204 HydrophobicContact CD2-CB 3.87Å; Y64-H204 HydrophobicContact CE1-CB 3.79Å; Y64-H204 HydrophobicContact CE2-CB 3.38Å; Y64-H204 AromaticContact CE2-CG 3.94Å; Y64-H204 HydrophobicContact CG-CB 4.27Å; Y64-H204 PolarHBondContact N-O 2.78Å; Y64-H204 PolarHBondContact O-N 2.87Å; Y64-P206 HydrophobicContact CE1-CG 4.44Å; Y64-L282 HydrophobicContact CD1-CB 4.11Å; Y64-L282 HydrophobicContact CD2-CB 4.01Å; Y64-L282 HydrophobicContact CE2-CB 4.48Å; Y64-L282 HydrophobicContact CG-CB 3.8Å |
| 65 | F | 97.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 10% | 0.101 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.7 | -176.6 | -52.4 | -82.5 | 0 | 0 | 0 | 109.7 | V67 L178 L179 L192 L196 W201 K202 E203 | F65-V67 HydrophobicContact CB-CG2 4.38Å; F65-L178 CarbonylContact O-C 3.59Å; F65-L178 WeakPolarHBondContact O-CA 3.36Å; F65-L179 HydrophobicContact CB-CB 4.4Å; F65-L179 PolarHBondContact N-O 3.02Å; F65-L179 PolarHBondContact O-N 2.88Å; F65-L192 HydrophobicContact CD2-CD2 4.36Å; F65-L192 HydrophobicContact CE2-CD2 4.04Å; F65-L196 HydrophobicContact CB-CD2 4.48Å; F65-L196 HydrophobicContact CD1-CD1 4.16Å; F65-L196 HydrophobicContact CE1-CD1 4.36Å; F65-L196 HydrophobicContact CG-CD1 4.25Å; F65-W201 AromaticContact CD1-CE3 3.83Å; F65-W201 HydrophobicContact CD1-CE3 3.83Å; F65-W201 AromaticContact CD1-CZ3 3.89Å; F65-W201 HydrophobicContact CD1-CZ3 3.89Å; F65-W201 HydrophobicContact CE1-CE3 4.45Å; F65-W201 HydrophobicContact CE1-CZ3 4.07Å; F65-K202 CarbonylContact C-O 3.54Å; F65-K202 WeakPolarHBondContact CA-O 3.4Å; F65-E203 HydrophobicContact CD1-CB 3.95Å; F65-E203 HydrophobicContact CD1-CG 4.28Å; F65-E203 HydrophobicContact CE1-CB 3.92Å; F65-E203 HydrophobicContact CE1-CG 3.92Å |
| 66 | L | 97.9 | Very high | 96 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.5 | 164.5 | 175.5 | 61.7 | 0 | 0 | 0 | 107.5 | Y95 D176 F177 L178 W201 K202 | L66-Y95 HydrophobicContact CD1-CD1 3.65Å; L66-Y95 HydrophobicContact CD1-CE1 4.35Å; L66-Y95 HydrophobicContact CD1-CG 4.04Å; L66-Y95 HydrophobicContact CD2-CD1 4.36Å; L66-Y95 HydrophobicContact CD2-CE1 4.3Å; L66-D176 HydrophobicContact CD1-CB 4.29Å; L66-F177 CarbonylContact C-O 3.58Å; L66-F177 WeakPolarHBondContact CA-O 3.34Å; L66-L178 HydrophobicContact CB-CD2 4.37Å; L66-L178 HydrophobicContact CD1-CD2 4.04Å; L66-W201 CarbonylContact O-C 3.52Å; L66-W201 WeakPolarHBondContact O-CA 3.44Å; L66-W201 WeakPolarHBondContact O-CB 3.41Å; L66-K202 PolarHBondContact N-O 3.12Å; L66-K202 PolarHBondContact O-N 3.31Å |
| 67 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.6 | 179.2 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | F65 L70 D176 F177 L179 L196 Y199 W201 | F65-V67 HydrophobicContact CB-CG2 4.38Å; V67-L70 HydrophobicContact CG1-CB 4.07Å; V67-L70 HydrophobicContact CG1-CD2 4.42Å; V67-D176 CarbonylContact O-C 3.59Å; V67-D176 VanDerWaalsContact O-CA 3.28Å; V67-D176 WeakPolarHBondContact O-CA 3.11Å; V67-F177 PolarHBondContact N-O 3.36Å; V67-F177 PolarHBondContact O-N 3.5Å; V67-L179 HydrophobicContact CG2-CD1 3.56Å; V67-L179 HydrophobicContact CG2-CG 4.05Å; V67-L196 HydrophobicContact CG2-CD2 3.33Å; V67-Y199 HydrophobicContact CG1-CG 4.39Å; V67-W201 HydrophobicContact CB-CB 4.48Å; V67-W201 HydrophobicContact CG1-CB 4.47Å; V67-W201 HydrophobicContact CG2-CB 4.08Å |
| 68 | N | 97.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.9 | -172.8 | -59.2 | -11.7 | 0 | 0 | 0 | 111.5 | L70 D176 Q200 | N68-L70 PolarHBondContact O-N 2.84Å; N68-D176 WeakPolarHBondContact CA-OD1 3.38Å; N68-Q200 HydrophobicContact CB-CB 4.41Å; N68-Q200 PolarHBondContact N-O 3.38Å |
| 69 | N | 95.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 41 Ų | 41 | 49% | 0.492 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 38.8 | 172.6 | -166.3 | 30.5 | 0 | 0 | 0 | 113.7 | P71 K174 S175 D176 | N69-P71 WeakPolarHBondContact O-CD 3.41Å; N69-K174 WeakPolarHBondContact OD1-CB 3.48Å; N69-K174 WeakPolarHBondContact OD1-CD 3.3Å; N69-S175 PolarHBondContact N-O 3.37Å; N69-D176 PolarHBondContact N-OD1 3.35Å |
| 70 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.9 | -179.2 | 174 | 67.7 | 0 | 0 | 0 | 109.8 | V67 N68 E74 F75 K174 S175 F177 L195 Y199 | V67-L70 HydrophobicContact CG1-CB 4.07Å; V67-L70 HydrophobicContact CG1-CD2 4.42Å; N68-L70 PolarHBondContact O-N 2.84Å; L70-E74 HydrophobicContact CD1-CB 4.01Å; L70-E74 HydrophobicContact CD1-CG 3.93Å; L70-F75 HydrophobicContact CD2-CE1 4.04Å; L70-F75 HydrophobicContact CD2-CZ 3.8Å; L70-K174 WeakPolarHBondContact O-CA 3.36Å; L70-S175 PolarHBondContact N-O 3.27Å; L70-S175 PolarHBondContact O-N 2.84Å; L70-F177 HydrophobicContact CB-CD2 3.91Å; L70-F177 HydrophobicContact CB-CE2 4.46Å; L70-F177 HydrophobicContact CD2-CB 4.39Å; L70-F177 HydrophobicContact CD2-CD2 3.97Å; L70-F177 HydrophobicContact CD2-CG 4.35Å; L70-F177 HydrophobicContact CG-CD2 4.24Å; L70-L195 HydrophobicContact CD1-CD1 3.87Å; L70-L195 HydrophobicContact CD1-CD2 4.49Å; L70-L195 HydrophobicContact CD1-CG 4.38Å; L70-L195 HydrophobicContact CD2-CD2 4.42Å; L70-Y199 HydrophobicContact CD1-CD2 3.79Å; L70-Y199 HydrophobicContact CD1-CE1 4.48Å; L70-Y199 HydrophobicContact CD1-CE2 3.65Å; L70-Y199 HydrophobicContact CD1-CG 4.3Å |
| 71 | P | 97 | Very high | 95 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 137.9 | 173.7 | -16.6 | 30.9 | 0 | 0 | 0 | 112.5 | N69 Y73 E74 L173 K174 Y199 | N69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-Y73 HydrophobicContact CB-CD1 3.53Å; P71-Y73 HydrophobicContact CB-CE1 3.2Å; P71-Y73 HydrophobicContact CB-CG 4.34Å; P71-Y73 HydrophobicContact CG-CE1 3.82Å; P71-Y73 PolarHBondContact O-N 3.37Å; P71-E74 HydrophobicContact CB-CG 4.41Å; P71-E74 WeakPolarHBondContact O-CB 3.31Å; P71-E74 WeakPolarHBondContact O-CG 3.34Å; P71-E74 PolarHBondContact O-N 3.42Å; P71-E74 VanDerWaalsContact O-N 3.11Å; P71-L173 WeakPolarHBondContact CA-O 3.28Å; P71-K174 HydrophobicContact CB-CG 4.09Å; P71-K174 HydrophobicContact CG-CD 4.21Å; P71-K174 HydrophobicContact CG-CG 4.05Å; P71-Y199 VanDerWaalsContact CD-CE1 3.46Å; P71-Y199 VanDerWaalsContact CD-CZ 3.49Å; P71-Y199 VanDerWaalsContact CD-OH 3.28Å; P71-Y199 WeakPolarHBondContact CD-OH 3.36Å; P71-Y199 HydrophobicContact CG-CE1 4.24Å |
| 72 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.8 | -31.7 | -177.2 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | E74 F75 I105 L113 L115 L167 L173 F177 | V72-E74 PolarHBondContact O-N 3.26Å; V72-E74 VanDerWaalsContact O-N 3.12Å; V72-F75 HydrophobicContact CG1-CD2 4.3Å; V72-F75 WeakPolarHBondContact O-CD2 3.14Å; V72-F75 PolarHBondContact O-N 3.42Å; V72-F75 VanDerWaalsContact O-N 3.15Å; V72-I105 HydrophobicContact CG1-CG2 4.45Å; V72-I105 HydrophobicContact CG2-CD1 3.27Å; V72-I105 HydrophobicContact CG2-CG2 4.47Å; V72-L113 HydrophobicContact CG1-CD1 4.32Å; V72-L113 HydrophobicContact CG1-CD2 3.96Å; V72-L115 HydrophobicContact CG1-CD2 4.05Å; V72-L167 HydrophobicContact CB-CD2 4.42Å; V72-L167 HydrophobicContact CG1-CD1 4.12Å; V72-L167 HydrophobicContact CG1-CD2 4.25Å; V72-L173 HydrophobicContact CB-CB 4.37Å; V72-L173 HydrophobicContact CG2-CB 3.64Å; V72-L173 WeakPolarHBondContact CG2-O 2.97Å; V72-L173 PolarHBondContact N-O 3.17Å; V72-F177 HydrophobicContact CG2-CZ 4.33Å |
| 73 | Y | 95.5 | Very high | 94.3 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.1 | 179.6 | 73.5 | -105.4 | 0 | 0 | 0 | 113.2 | P71 F75 L76 K168 | P71-Y73 HydrophobicContact CB-CD1 3.53Å; P71-Y73 HydrophobicContact CB-CE1 3.2Å; P71-Y73 HydrophobicContact CB-CG 4.34Å; P71-Y73 HydrophobicContact CG-CE1 3.82Å; P71-Y73 PolarHBondContact O-N 3.37Å; Y73-F75 PolarHBondContact O-N 2.96Å; Y73-L76 WeakPolarHBondContact O-CB 2.97Å; Y73-L76 PolarHBondContact O-N 2.98Å; Y73-K168 HydrophobicContact CD1-CB 3.95Å; Y73-K168 HydrophobicContact CD1-CG 3.93Å; Y73-K168 HydrophobicContact CD2-CD 4.23Å; Y73-K168 HydrophobicContact CD2-CG 4.33Å; Y73-K168 HydrophobicContact CE1-CG 4.1Å; Y73-K168 HydrophobicContact CE2-CD 4.45Å; Y73-K168 HydrophobicContact CG-CB 3.98Å; Y73-K168 HydrophobicContact CG-CD 4.42Å; Y73-K168 HydrophobicContact CG-CG 4.07Å |
| 74 | E | 95.7 | Very high | 94 | Very high | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -63.9 | -27.8 | 177.2 | -69.3 | -72.7 | -178.5 | 0 | 0 | 112 | L70 P71 V72 L76 D77 L195 R198 Y199 | L70-E74 HydrophobicContact CD1-CB 4.01Å; L70-E74 HydrophobicContact CD1-CG 3.93Å; P71-E74 HydrophobicContact CB-CG 4.41Å; P71-E74 WeakPolarHBondContact O-CB 3.31Å; P71-E74 WeakPolarHBondContact O-CG 3.34Å; P71-E74 PolarHBondContact O-N 3.42Å; P71-E74 VanDerWaalsContact O-N 3.11Å; V72-E74 PolarHBondContact O-N 3.26Å; V72-E74 VanDerWaalsContact O-N 3.12Å; E74-L76 PolarHBondContact O-N 3.48Å; E74-D77 WeakPolarHBondContact O-CB 3.4Å; E74-D77 PolarHBondContact O-N 2.9Å; E74-D77 VanDerWaalsContact O-N 3.09Å; E74-L195 HydrophobicContact CB-CD1 3.75Å; E74-L195 HydrophobicContact CG-CD1 4.07Å; E74-R198 VanDerWaalsContact CD-NH1 3.31Å; E74-R198 IonicContact OE1-CZ 2.72Å; E74-R198 IonicContact OE1-NH1 3.89Å; E74-R198 PolarHBondContact OE1-NH1 3.47Å; E74-R198 VanDerWaalsContact OE1-NH1 3.08Å; E74-R198 IonicContact OE1-NH2 2.8Å; E74-R198 IonicContact OE2-CZ 3.94Å; E74-R198 IonicContact OE2-NH1 3.9Å; E74-R198 PolarHBondContact OE2-NH1 2.77Å; E74-R198 IonicContact OE2-NH2 3.24Å; E74-R198 PolarHBondContact OE2-NH2 2.85Å; E74-Y199 HydrophobicContact CG-CE2 4.14Å; E74-Y199 PolarHBondContact OE1-OH 3.32Å |
| 75 | F | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -67.6 | -14.8 | 173.1 | -59.2 | -50 | 0 | 0 | 0 | 113 | L70 V72 Y73 F80 L81 A92 L107 L113 F177 L179 | L70-F75 HydrophobicContact CD2-CE1 4.04Å; L70-F75 HydrophobicContact CD2-CZ 3.8Å; V72-F75 HydrophobicContact CG1-CD2 4.3Å; V72-F75 WeakPolarHBondContact O-CD2 3.14Å; V72-F75 PolarHBondContact O-N 3.42Å; V72-F75 VanDerWaalsContact O-N 3.15Å; Y73-F75 PolarHBondContact O-N 2.96Å; F75-F80 HydrophobicContact CD1-CD1 4.43Å; F75-F80 AromaticContact CD1-CE1 3.69Å; F75-F80 HydrophobicContact CD1-CE1 3.69Å; F75-F80 HydrophobicContact CD1-CZ 4.17Å; F75-F80 HydrophobicContact CE1-CE1 4.43Å; F75-L81 VanDerWaalsContact O-CD2 3.29Å; F75-L81 WeakPolarHBondContact O-CD2 3.37Å; F75-A92 HydrophobicContact CE1-CB 4.25Å; F75-A92 HydrophobicContact CZ-CB 3.86Å; F75-L107 HydrophobicContact CD1-CD2 4.07Å; F75-L107 HydrophobicContact CE1-CD2 4.47Å; F75-L107 HydrophobicContact CG-CD2 4.25Å; F75-L113 HydrophobicContact CD2-CD1 4.21Å; F75-F177 HydrophobicContact CE2-CD1 4.35Å; F75-F177 AromaticContact CE2-CE1 3.9Å; F75-F177 HydrophobicContact CE2-CE1 3.9Å; F75-F177 HydrophobicContact CE2-CE2 4.27Å; F75-F177 AromaticContact CE2-CZ 3.85Å; F75-F177 HydrophobicContact CE2-CZ 3.85Å; F75-F177 HydrophobicContact CZ-CD1 4.12Å; F75-F177 HydrophobicContact CZ-CE1 4.15Å; F75-F177 HydrophobicContact CZ-CG 4.31Å; F75-F177 HydrophobicContact CZ-CZ 4.34Å; F75-L179 HydrophobicContact CE1-CD2 4.27Å; F75-L179 HydrophobicContact CZ-CD2 4.27Å |
| 76 | L | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -95.2 | 3.8 | 174.8 | -66.9 | 96.6 | 0 | 0 | 0 | 112.9 | Y73 E74 K78 L113 L148 M153 Y160 V163 L164 L167 | Y73-L76 WeakPolarHBondContact O-CB 2.97Å; Y73-L76 PolarHBondContact O-N 2.98Å; E74-L76 PolarHBondContact O-N 3.48Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-L113 HydrophobicContact CD1-CD2 4.39Å; L76-L148 HydrophobicContact CD2-CD2 4.45Å; L76-L148 HydrophobicContact CG-CD2 4.26Å; L76-M153 HydrophobicContact CD2-CE 3.95Å; L76-Y160 HydrophobicContact CB-CE2 4.02Å; L76-Y160 HydrophobicContact CD2-CD2 4.31Å; L76-Y160 HydrophobicContact CD2-CE2 4.23Å; L76-Y160 WeakPolarHBondContact O-CE2 3.4Å; L76-Y160 PolarHBondContact O-OH 2.82Å; L76-V163 HydrophobicContact CD2-CB 4.25Å; L76-V163 HydrophobicContact CD2-CG1 3.66Å; L76-L164 HydrophobicContact CB-CD1 4.19Å; L76-L167 HydrophobicContact CD1-CD1 3.68Å |
| 77 | D | 93.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | trans | -58.2 | 138.4 | 173.3 | 176.5 | -96.4 | 0 | 0 | 0 | 110.8 | E74 D79 F80 L81 | E74-D77 WeakPolarHBondContact O-CB 3.4Å; E74-D77 PolarHBondContact O-N 2.9Å; E74-D77 VanDerWaalsContact O-N 3.09Å; D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.13Å; D77-D79 WeakPolarHBondContact OD1-CB 3.44Å; D77-D79 PolarHBondContact OD1-N 2.78Å; D77-F80 HydrophobicContact CB-CB 3.87Å; D77-F80 PolarHBondContact O-N 2.64Å; D77-F80 PolarHBondContact OD1-N 3.29Å; D77-L81 WeakPolarHBondContact O-CB 3.36Å; D77-L81 VanDerWaalsContact O-CG 3.31Å; D77-L81 WeakPolarHBondContact O-CG 3.17Å; D77-L81 PolarHBondContact O-N 3.43Å | ||
| 78 | K | 91.7 | Very high | 91.2 | Very high | 93 Ų | 93 | 41 Ų | 41 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -39.4 | -171.8 | -60.7 | -171.2 | -178.3 | 178.2 | 0 | 112.3 | L76 K82 P155 E156 | L76-K78 PolarHBondContact O-N 3.28Å; K78-K82 WeakPolarHBondContact O-CB 3.13Å; K78-K82 PolarHBondContact O-N 3.05Å; K78-P155 HydrophobicContact CD-CB 3.9Å; K78-P155 HydrophobicContact CG-CB 3.93Å; K78-P155 HydrophobicContact CG-CG 4.21Å; K78-E156 IonicContact NZ-OE1 3.42Å; K78-E156 PolarHBondContact NZ-OE1 3.03Å |
| 79 | D | 89.1 | Confident | 90.5 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.7 | -40.4 | -180 | -166.1 | 59.7 | 0 | 0 | 0 | 110.1 | D77 K82 N83 | D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.13Å; D77-D79 WeakPolarHBondContact OD1-CB 3.44Å; D77-D79 PolarHBondContact OD1-N 2.78Å; D79-K82 PolarHBondContact O-N 3Å; D79-N83 WeakPolarHBondContact O-CB 3.27Å; D79-N83 PolarHBondContact O-N 2.83Å; D79-N83 PolarHBondContact O-ND2 3.42Å; D79-N83 PolarHBondContact OD1-ND2 3.09Å; D79-N83 PolarHBondContact OD2-ND2 3.37Å |
| 80 | F | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.9 | -163.6 | -96.2 | 0 | 0 | 0 | 112.8 | F75 D77 K82 V84 V85 L90 L192 L195 | F75-F80 HydrophobicContact CD1-CD1 4.43Å; F75-F80 AromaticContact CD1-CE1 3.69Å; F75-F80 HydrophobicContact CD1-CE1 3.69Å; F75-F80 HydrophobicContact CD1-CZ 4.17Å; F75-F80 HydrophobicContact CE1-CE1 4.43Å; D77-F80 HydrophobicContact CB-CB 3.87Å; D77-F80 PolarHBondContact O-N 2.64Å; D77-F80 PolarHBondContact OD1-N 3.29Å; F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 3.17Å; F80-V84 HydrophobicContact CD1-CB 4.47Å; F80-V84 HydrophobicContact CD2-CB 4.32Å; F80-V84 HydrophobicContact CD2-CG2 3.96Å; F80-V84 HydrophobicContact CE1-CB 4.34Å; F80-V84 HydrophobicContact CE1-CG1 4.32Å; F80-V84 HydrophobicContact CE2-CB 4.2Å; F80-V84 HydrophobicContact CE2-CG1 4.18Å; F80-V84 HydrophobicContact CE2-CG2 4.01Å; F80-V84 HydrophobicContact CG-CB 4.46Å; F80-V84 HydrophobicContact CG-CG2 4.45Å; F80-V84 HydrophobicContact CZ-CB 4.24Å; F80-V84 HydrophobicContact CZ-CG1 3.95Å; F80-V84 WeakPolarHBondContact O-CA 3.45Å; F80-V84 VanDerWaalsContact O-CB 3.25Å; F80-V84 WeakPolarHBondContact O-CB 3.43Å; F80-V84 PolarHBondContact O-N 2.82Å; F80-V85 HydrophobicContact CD1-CG2 3.77Å; F80-V85 HydrophobicContact CE1-CG2 3.83Å; F80-V85 PolarHBondContact O-N 2.98Å; F80-L90 HydrophobicContact CE1-CD2 3.48Å; F80-L90 VanDerWaalsContact CE1-CD2 3.48Å; F80-L90 HydrophobicContact CZ-CD2 3.35Å; F80-L192 HydrophobicContact CE2-CD1 4.28Å; F80-L195 HydrophobicContact CD2-CB 4.43Å; F80-L195 HydrophobicContact CD2-CD2 4.22Å; F80-L195 HydrophobicContact CE2-CB 4.32Å; F80-L195 HydrophobicContact CE2-CD2 3.59Å; F80-L195 HydrophobicContact CZ-CD2 3.95Å |
| 81 | L | 91.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -56.8 | -49.2 | 176.1 | -76.8 | 174.1 | 0 | 0 | 0 | 111.3 | F75 D77 V85 W86 L148 Y160 | F75-L81 VanDerWaalsContact O-CD2 3.29Å; F75-L81 WeakPolarHBondContact O-CD2 3.37Å; D77-L81 WeakPolarHBondContact O-CB 3.36Å; D77-L81 VanDerWaalsContact O-CG 3.31Å; D77-L81 WeakPolarHBondContact O-CG 3.17Å; D77-L81 PolarHBondContact O-N 3.43Å; L81-V85 HydrophobicContact CD2-CB 4.1Å; L81-V85 HydrophobicContact CD2-CG1 4.26Å; L81-V85 HydrophobicContact CD2-CG2 4.08Å; L81-V85 PolarHBondContact O-N 2.81Å; L81-W86 HydrophobicContact CB-CZ2 4.3Å; L81-W86 PolarHBondContact O-N 2.79Å; L81-L148 HydrophobicContact CD2-CB 3.86Å; L81-L148 HydrophobicContact CD2-CD1 3.99Å; L81-L148 HydrophobicContact CD2-CD2 4.45Å; L81-L148 HydrophobicContact CD2-CG 4.33Å; L81-Y160 HydrophobicContact CD1-CD2 4.48Å; L81-Y160 HydrophobicContact CD1-CE2 3.86Å |
| 82 | K | 89.2 | Confident | 90.2 | Very high | 137 Ų | 137 | 34.3 Ų | 34.3 | 60% | 0.596 | 17% | 0.168 | S | C | * | . | I | π-helix | trans | -68.2 | -44 | -174.8 | -175.2 | -177 | 173.3 | -170.8 | 0 | 113.3 | K78 D79 F80 W86 | K78-K82 WeakPolarHBondContact O-CB 3.13Å; K78-K82 PolarHBondContact O-N 3.05Å; D79-K82 PolarHBondContact O-N 3Å; F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 3.17Å; K82-W86 HydrophobicContact CB-CE3 4.07Å; K82-W86 HydrophobicContact CB-CZ3 3.93Å; K82-W86 HydrophobicContact CG-CE3 4.14Å; K82-W86 HydrophobicContact CG-CZ3 4Å |
| 83 | N | 87.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -98.3 | -11.7 | -168.6 | -55.8 | -29.6 | 0 | 0 | 0 | 113.3 | D79 R181 G188 A191 | D79-N83 WeakPolarHBondContact O-CB 3.27Å; D79-N83 PolarHBondContact O-N 2.83Å; D79-N83 PolarHBondContact O-ND2 3.42Å; D79-N83 PolarHBondContact OD1-ND2 3.09Å; D79-N83 PolarHBondContact OD2-ND2 3.37Å; N83-R181 PolarHBondContact O-NH2 2.67Å; N83-G188 WeakPolarHBondContact O-CA 3.38Å; N83-A191 HydrophobicContact CB-CB 3.93Å |
| 84 | V | 87.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -128.2 | -51.5 | -174.7 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | F80 L90 A191 | F80-V84 HydrophobicContact CD1-CB 4.47Å; F80-V84 HydrophobicContact CD2-CB 4.32Å; F80-V84 HydrophobicContact CD2-CG2 3.96Å; F80-V84 HydrophobicContact CE1-CB 4.34Å; F80-V84 HydrophobicContact CE1-CG1 4.32Å; F80-V84 HydrophobicContact CE2-CB 4.2Å; F80-V84 HydrophobicContact CE2-CG1 4.18Å; F80-V84 HydrophobicContact CE2-CG2 4.01Å; F80-V84 HydrophobicContact CG-CB 4.46Å; F80-V84 HydrophobicContact CG-CG2 4.45Å; F80-V84 HydrophobicContact CZ-CB 4.24Å; F80-V84 HydrophobicContact CZ-CG1 3.95Å; F80-V84 WeakPolarHBondContact O-CA 3.45Å; F80-V84 VanDerWaalsContact O-CB 3.25Å; F80-V84 WeakPolarHBondContact O-CB 3.43Å; F80-V84 PolarHBondContact O-N 2.82Å; V84-L90 HydrophobicContact CG1-CB 3.76Å; V84-L90 HydrophobicContact CG1-CD1 4.14Å; V84-L90 HydrophobicContact CG1-CD2 3.71Å; V84-L90 HydrophobicContact CG1-CG 4.08Å; V84-A191 HydrophobicContact CG2-CB 3.66Å |
| 85 | V | 87 | Confident | 90.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -76.6 | -47.3 | -172.7 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | F80 L81 D87 G88 L107 L148 | F80-V85 HydrophobicContact CD1-CG2 3.77Å; F80-V85 HydrophobicContact CE1-CG2 3.83Å; F80-V85 PolarHBondContact O-N 2.98Å; L81-V85 HydrophobicContact CD2-CB 4.1Å; L81-V85 HydrophobicContact CD2-CG1 4.26Å; L81-V85 HydrophobicContact CD2-CG2 4.08Å; L81-V85 PolarHBondContact O-N 2.81Å; V85-D87 PolarHBondContact O-N 2.91Å; V85-G88 PolarHBondContact O-N 2.87Å; V85-L107 HydrophobicContact CG2-CD2 4.32Å; V85-L148 HydrophobicContact CG1-CB 4.02Å; V85-L148 HydrophobicContact CG1-CD1 4.01Å |
| 86 | W | 87.3 | Confident | 90.1 | Very high | 113 Ų | 113 | 43.9 Ų | 43.9 | 43% | 0.428 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.5 | -178.4 | -63.4 | -18.4 | 0 | 0 | 0 | 114.1 | L81 K82 G88 L148 P155 | L81-W86 HydrophobicContact CB-CZ2 4.3Å; L81-W86 PolarHBondContact O-N 2.79Å; K82-W86 HydrophobicContact CB-CE3 4.07Å; K82-W86 HydrophobicContact CB-CZ3 3.93Å; K82-W86 HydrophobicContact CG-CE3 4.14Å; K82-W86 HydrophobicContact CG-CZ3 4Å; W86-G88 PolarHBondContact O-N 3.06Å; W86-L148 PolarHBondContact NE1-O 3.18Å; W86-P155 HydrophobicContact CH2-CG 4.46Å |
| 87 | D | 82.1 | Confident | 89.9 | Confident | 95 Ų | 95 | 44.7 Ų | 44.7 | 51% | 0.508 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.4 | 172 | -166 | 41.2 | 0 | 0 | 0 | 112.1 | V85 A89 R181 | V85-D87 PolarHBondContact O-N 2.91Å; D87-A89 VanDerWaalsContact C-N 3.3Å; D87-A89 PolarHBondContact O-N 3.24Å; D87-R181 IonicContact OD2-NH2 2.68Å; D87-R181 PolarHBondContact OD2-NH2 3.19Å |
| 88 | G | 74.4 | Confident | 89.6 | Confident | 30 Ų | 30 | 43 Ų | 43 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 21.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V85 W86 P109 | V85-G88 PolarHBondContact O-N 2.87Å; W86-G88 PolarHBondContact O-N 3.06Å; G88-P109 CarbonylContact C-O 3.57Å; G88-P109 VanDerWaalsContact C-O 3.29Å; G88-P109 WeakPolarHBondContact CA-O 3.44Å; G88-P109 WeakPolarHBondContact O-CB 3.24Å |
| 89 | A | 83.2 | Confident | 89.2 | Confident | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | trans | -114 | 0.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114 | D87 R181 H182 | D87-A89 VanDerWaalsContact C-N 3.3Å; D87-A89 PolarHBondContact O-N 3.24Å; A89-R181 HydrophobicContact CB-CG 4.22Å; A89-R181 CarbonylContact O-C 3.52Å; A89-R181 WeakPolarHBondContact O-CA 3.22Å; A89-R181 WeakPolarHBondContact O-CG 3.34Å; A89-H182 WeakPolarHBondContact CB-O 3.42Å; A89-H182 PolarHBondContact O-N 2.79Å | ||
| 90 | L | 92.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.9 | -174 | -178.8 | 74.9 | 0 | 0 | 0 | 112.2 | F80 V84 L107 L108 R181 | F80-L90 HydrophobicContact CE1-CD2 3.48Å; F80-L90 VanDerWaalsContact CE1-CD2 3.48Å; F80-L90 HydrophobicContact CZ-CD2 3.35Å; V84-L90 HydrophobicContact CG1-CB 3.76Å; V84-L90 HydrophobicContact CG1-CD1 4.14Å; V84-L90 HydrophobicContact CG1-CD2 3.71Å; V84-L90 HydrophobicContact CG1-CG 4.08Å; L90-L107 HydrophobicContact CD2-CD2 3.59Å; L90-L107 HydrophobicContact CG-CD2 4.36Å; L90-L108 CarbonylContact O-C 3.56Å; L90-R181 HydrophobicContact CD1-CB 4.37Å |
| 91 | Y | 95.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.3 | 173.2 | -60.3 | -100.6 | 0 | 0 | 0 | 107.8 | Y35 P109 L179 G180 L284 P285 E286 | Y35-Y91 HydrophobicContact CD1-CE1 4.06Å; Y35-Y91 HydrophobicContact CG-CE1 4.48Å; Y91-P109 HydrophobicContact CD1-CG 4.21Å; Y91-P109 HydrophobicContact CE1-CB 4Å; Y91-P109 HydrophobicContact CE1-CG 3.48Å; Y91-P109 VanDerWaalsContact CE1-CG 3.48Å; Y91-P109 HydrophobicContact CE2-CB 4.17Å; Y91-L179 CarbonylContact O-C 3.54Å; Y91-L179 WeakPolarHBondContact O-CA 3.4Å; Y91-G180 PolarHBondContact N-O 2.8Å; Y91-G180 PolarHBondContact O-N 2.91Å; Y91-L284 HydrophobicContact CD2-CD1 4.38Å; Y91-L284 HydrophobicContact CD2-CD2 3.59Å; Y91-L284 HydrophobicContact CE2-CD1 4.45Å; Y91-L284 HydrophobicContact CE2-CD2 4.06Å; Y91-L284 HydrophobicContact CG-CD2 3.85Å; Y91-P285 HydrophobicContact CE1-CG 4Å; Y91-E286 PolarHBondContact OH-OE1 3.38Å; Y91-E286 PolarHBondContact OH-OE2 2.96Å |
| 92 | A | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F36 F75 A106 L107 F177 L178 L179 | F36-A92 WeakPolarHBondContact CE1-O 3.47Å; F36-A92 WeakPolarHBondContact CZ-O 3.11Å; F75-A92 HydrophobicContact CE1-CB 4.25Å; F75-A92 HydrophobicContact CZ-CB 3.86Å; A92-A106 CarbonylContact O-C 3.6Å; A92-A106 VanDerWaalsContact O-CA 3.23Å; A92-A106 WeakPolarHBondContact O-CA 3.39Å; A92-L107 HydrophobicContact CB-CB 3.71Å; A92-L107 PolarHBondContact N-O 3.39Å; A92-L107 PolarHBondContact O-N 2.76Å; A92-F177 HydrophobicContact CB-CD1 4.13Å; A92-L178 WeakPolarHBondContact CA-O 3.43Å; A92-L179 HydrophobicContact CB-CD2 3.39Å |
| 93 | L | 97 | Very high | 88.7 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.8 | 174.6 | -178.6 | 63.1 | 0 | 0 | 0 | 110 | F36 Y95 A106 F177 L178 F315 | F36-L93 HydrophobicContact CB-CD2 4.3Å; F36-L93 HydrophobicContact CD1-CB 3.91Å; F36-L93 HydrophobicContact CD1-CD2 4.13Å; F36-L93 HydrophobicContact CD1-CG 4.45Å; F36-L93 HydrophobicContact CE1-CB 3.79Å; F36-L93 HydrophobicContact CG-CD2 4.2Å; F36-L93 HydrophobicContact CZ-CB 4.41Å; L93-Y95 PolarHBondContact O-N 2.83Å; L93-A106 HydrophobicContact CD1-CB 4.27Å; L93-F177 CarbonylContact O-C 3.47Å; L93-F177 WeakPolarHBondContact O-CA 3.46Å; L93-L178 PolarHBondContact N-O 3.3Å; L93-L178 PolarHBondContact O-N 2.94Å; L93-F315 HydrophobicContact CD2-CB 3.86Å; L93-F315 HydrophobicContact CD2-CD1 3.89Å; L93-F315 HydrophobicContact CD2-CD2 3.9Å; L93-F315 HydrophobicContact CD2-CE1 4.41Å; L93-F315 HydrophobicContact CD2-CE2 4.41Å; L93-F315 HydrophobicContact CD2-CG 3.6Å |
| 94 | S | 96.6 | Very high | 89 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 135.4 | 172.9 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | T97 T104 I105 S175 D176 | S94-T97 WeakPolarHBondContact CB-OG1 3.31Å; S94-T97 PolarHBondContact OG-OG1 2.97Å; S94-T104 WeakPolarHBondContact OG-CA 3.46Å; S94-T104 WeakPolarHBondContact OG-CG2 3.47Å; S94-I105 PolarHBondContact N-O 3.44Å; S94-I105 PolarHBondContact OG-N 3.15Å; S94-I105 PolarHBondContact OG-O 3.31Å; S94-S175 WeakPolarHBondContact CB-OG 3.33Å; S94-D176 CarbonylContact C-O 3.1Å; S94-D176 WeakPolarHBondContact CA-O 3.38Å |
| 95 | Y | 94.9 | Very high | 89.4 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -103.2 | 134.9 | -173.3 | -174.8 | -122 | 0 | 0 | 0 | 111.3 | L66 L93 T97 D176 L178 | L66-Y95 HydrophobicContact CD1-CD1 3.65Å; L66-Y95 HydrophobicContact CD1-CE1 4.35Å; L66-Y95 HydrophobicContact CD1-CG 4.04Å; L66-Y95 HydrophobicContact CD2-CD1 4.36Å; L66-Y95 HydrophobicContact CD2-CE1 4.3Å; L93-Y95 PolarHBondContact O-N 2.83Å; Y95-T97 VanDerWaalsContact C-N 3.26Å; Y95-T97 PolarHBondContact O-N 3.48Å; Y95-D176 PolarHBondContact N-O 2.66Å; Y95-L178 HydrophobicContact CD2-CD1 3.74Å; Y95-L178 HydrophobicContact CD2-CD2 4.15Å; Y95-L178 HydrophobicContact CD2-CG 3.88Å; Y95-L178 HydrophobicContact CE2-CD1 4.33Å; Y95-L178 HydrophobicContact CG-CD2 4.36Å; Y95-L178 HydrophobicContact CG-CG 4.18Å |
| 96 | K | 91.1 | Very high | 89.8 | Confident | 167 Ų | 167 | 42 Ų | 42 | 73% | 0.726 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 57.5 | 34.8 | -178.6 | -63.8 | 177.6 | 172 | -179.8 | 0 | 114.1 | ||
| 97 | T | 89.1 | Confident | 90.2 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | trans | -110.1 | 112.9 | 173.6 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | S94 Y95 I99 D102 D317 | S94-T97 WeakPolarHBondContact CB-OG1 3.31Å; S94-T97 PolarHBondContact OG-OG1 2.97Å; Y95-T97 VanDerWaalsContact C-N 3.26Å; Y95-T97 PolarHBondContact O-N 3.48Å; T97-I99 PolarHBondContact O-N 3.39Å; T97-D102 HydrophobicContact CG2-CB 4.47Å; T97-D317 WeakPolarHBondContact O-CB 3.41Å | ||
| 98 | S | 87.3 | Confident | 90.8 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | trans | -72.7 | 125 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | D100 Q101 D102 D317 | S98-D100 PolarHBondContact O-N 2.78Å; S98-D100 VanDerWaalsContact O-N 3.15Å; S98-Q101 PolarHBondContact O-N 2.94Å; S98-D102 PolarHBondContact N-OD2 2.68Å; S98-D102 PolarHBondContact O-N 2.9Å; S98-D317 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 99 | I | 83.6 | Confident | 91.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.7 | -174.2 | -171.7 | 168 | 0 | 0 | 0 | 114.7 | T97 T104 R141 D317 S318 P319 H327 F329 | T97-I99 PolarHBondContact O-N 3.39Å; I99-T104 WeakPolarHBondContact CA-OG1 3.4Å; I99-R141 VanDerWaalsContact O-CZ 3.3Å; I99-R141 PolarHBondContact O-NE 2.98Å; I99-R141 PolarHBondContact O-NH2 3.3Å; I99-D317 PolarHBondContact N-OD1 3.4Å; I99-S318 VanDerWaalsContact CD1-O 3.24Å; I99-S318 WeakPolarHBondContact CD1-O 3.43Å; I99-P319 HydrophobicContact CD1-CB 4.35Å; I99-H327 WeakPolarHBondContact CD1-O 3.31Å; I99-F329 HydrophobicContact CG2-CB 3.4Å; I99-F329 HydrophobicContact CG2-CG 4.43Å |
| 100 | D | 80.9 | Confident | 92 | Very high | 59 Ų | 59 | 33.7 Ų | 33.7 | 32% | 0.316 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.8 | 179.8 | -68.9 | -27.5 | 0 | 0 | 0 | 112.8 | S98 F329 H330 | S98-D100 PolarHBondContact O-N 2.78Å; S98-D100 VanDerWaalsContact O-N 3.15Å; D100-F329 WeakPolarHBondContact OD2-CB 3.09Å; D100-F329 WeakPolarHBondContact OD2-CD1 3.35Å; D100-H330 PolarHBondContact OD2-N 3.31Å |
| 101 | Q | 84.3 | Confident | 92 | Very high | 152 Ų | 152 | 33.6 Ų | 33.6 | 71% | 0.71 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -45.4 | -170.6 | -58.4 | -177.2 | 8.9 | 0 | 0 | 113.1 | S98 | S98-Q101 PolarHBondContact O-N 2.94Š|
| 102 | D | 90.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -103 | 166.3 | -171.8 | -57.3 | -50.9 | 0 | 0 | 0 | 111.7 | T97 S98 T104 R141 | T97-D102 HydrophobicContact CG2-CB 4.47Å; S98-D102 PolarHBondContact N-OD2 2.68Å; S98-D102 PolarHBondContact O-N 2.9Å; D102-T104 PolarHBondContact O-N 3.46Å; D102-R141 PolarHBondContact O-NH1 3.39Å; D102-R141 PolarHBondContact O-NH2 3.05Å |
| 103 | N | 93.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | trans | -74.7 | 119 | 169.4 | -67.9 | -34.6 | 0 | 0 | 0 | 109.8 | S116 V117 D118 T121 | N103-S116 CarbonylContact C-O 3.56Å; N103-S116 WeakPolarHBondContact CA-O 3.19Å; N103-V117 HydrophobicContact CB-CG1 4.2Å; N103-V117 WeakPolarHBondContact OD1-CA 3.35Å; N103-V117 WeakPolarHBondContact OD1-CB 3.41Å; N103-D118 PolarHBondContact OD1-N 3.35Å; N103-D118 PolarHBondContact OD1-OD2 2.6Å; N103-T121 PolarHBondContact ND2-OG1 2.82Å | ||
| 104 | T | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.2 | -176.4 | -57 | 0 | 0 | 0 | 0 | 110.1 | S94 I99 D102 S116 D317 P319 | S94-T104 WeakPolarHBondContact OG-CA 3.46Å; S94-T104 WeakPolarHBondContact OG-CG2 3.47Å; I99-T104 WeakPolarHBondContact CA-OG1 3.4Å; D102-T104 PolarHBondContact O-N 3.46Å; T104-S116 PolarHBondContact N-O 3.37Å; T104-S116 PolarHBondContact O-N 3.4Å; T104-D317 WeakPolarHBondContact CG2-O 3.47Å; T104-P319 HydrophobicContact CG2-CB 4.26Å; T104-P319 HydrophobicContact CG2-CG 4.04Å |
| 105 | I | 95.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.2 | -168.4 | -55.3 | 179.3 | 0 | 0 | 0 | 109.5 | V72 S94 L113 I114 L115 L173 F177 | V72-I105 HydrophobicContact CG1-CG2 4.45Å; V72-I105 HydrophobicContact CG2-CD1 3.27Å; V72-I105 HydrophobicContact CG2-CG2 4.47Å; S94-I105 PolarHBondContact N-O 3.44Å; S94-I105 PolarHBondContact OG-N 3.15Å; S94-I105 PolarHBondContact OG-O 3.31Å; I105-L113 HydrophobicContact CG2-CD1 4.01Å; I105-I114 WeakPolarHBondContact CA-O 3.45Å; I105-L115 HydrophobicContact CB-CD2 4.38Å; I105-L115 HydrophobicContact CD1-CD2 4.29Å; I105-L115 HydrophobicContact CG1-CD2 4.1Å; I105-L115 HydrophobicContact CG2-CD2 3.65Å; I105-L173 HydrophobicContact CD1-CB 4.45Å; I105-L173 HydrophobicContact CD1-CD1 4.43Å; I105-F177 HydrophobicContact CB-CE1 3.88Å; I105-F177 HydrophobicContact CB-CZ 3.87Å; I105-F177 HydrophobicContact CD1-CZ 4.26Å; I105-F177 HydrophobicContact CG2-CE1 3.74Å; I105-F177 HydrophobicContact CG2-CZ 3.73Å |
| 106 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F36 A92 L93 I114 P319 | F36-A106 HydrophobicContact CE2-CB 3.66Å; F36-A106 HydrophobicContact CZ-CB 3.69Å; A92-A106 CarbonylContact O-C 3.6Å; A92-A106 VanDerWaalsContact O-CA 3.23Å; A92-A106 WeakPolarHBondContact O-CA 3.39Å; L93-A106 HydrophobicContact CD1-CB 4.27Å; A106-I114 PolarHBondContact N-O 3.04Å; A106-I114 PolarHBondContact O-N 3.13Å; A106-P319 HydrophobicContact CB-CG 3.37Å |
| 107 | L | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119 | 165.1 | -179 | 59.5 | 0 | 0 | 0 | 108 | F75 V85 L90 A92 L113 L148 | F75-L107 HydrophobicContact CD1-CD2 4.07Å; F75-L107 HydrophobicContact CE1-CD2 4.47Å; F75-L107 HydrophobicContact CG-CD2 4.25Å; V85-L107 HydrophobicContact CG2-CD2 4.32Å; L90-L107 HydrophobicContact CD2-CD2 3.59Å; L90-L107 HydrophobicContact CG-CD2 4.36Å; A92-L107 HydrophobicContact CB-CB 3.71Å; A92-L107 PolarHBondContact N-O 3.39Å; A92-L107 PolarHBondContact O-N 2.76Å; L107-L113 HydrophobicContact CB-CD1 4.44Å; L107-L113 HydrophobicContact CD1-CB 4.16Å; L107-L148 HydrophobicContact CD1-CD1 3.86Å |
| 108 | L | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | -85.1 | 154.9 | 179.3 | -59.1 | -170.8 | 0 | 0 | 0 | 111 | Y35 F36 L90 S110 G111 Q112 I114 V320 | Y35-L108 HydrophobicContact CD2-CD1 4.1Å; Y35-L108 HydrophobicContact CD2-CD2 3.65Å; Y35-L108 HydrophobicContact CD2-CG 4.32Å; Y35-L108 HydrophobicContact CE2-CD1 3.94Å; Y35-L108 HydrophobicContact CE2-CD2 4.31Å; Y35-L108 HydrophobicContact CG-CD2 4.29Å; F36-L108 HydrophobicContact CD2-CD2 4.49Å; F36-L108 HydrophobicContact CE2-CD2 3.48Å; F36-L108 VanDerWaalsContact CE2-CD2 3.48Å; F36-L108 HydrophobicContact CZ-CD2 3.85Å; L90-L108 CarbonylContact O-C 3.56Å; L108-S110 WeakPolarHBondContact CB-OG 3.38Å; L108-S110 PolarHBondContact O-N 2.68Å; L108-S110 VanDerWaalsContact O-N 3.14Å; L108-G111 PolarHBondContact O-N 3.03Å; L108-Q112 HydrophobicContact CB-CB 4.4Å; L108-Q112 HydrophobicContact CD1-CB 4.28Å; L108-Q112 HydrophobicContact CG-CB 4.49Å; L108-Q112 PolarHBondContact N-O 2.91Å; L108-I114 HydrophobicContact CD1-CD1 3.6Å; L108-I114 HydrophobicContact CG-CD1 3.99Å; L108-V320 HydrophobicContact CD2-CG2 4.45Å | ||
| 109 | P | 91.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 27 Ų | 27 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.6 | 171.9 | 28.7 | -38.2 | 0 | 0 | 0 | 112.3 | Y35 G88 Y91 G111 | Y35-P109 HydrophobicContact CD1-CG 3.55Å; Y35-P109 HydrophobicContact CE1-CG 3.53Å; Y35-P109 HydrophobicContact CG-CG 4.25Å; G88-P109 CarbonylContact C-O 3.57Å; G88-P109 VanDerWaalsContact C-O 3.29Å; G88-P109 WeakPolarHBondContact CA-O 3.44Å; G88-P109 WeakPolarHBondContact O-CB 3.24Å; Y91-P109 HydrophobicContact CD1-CG 4.21Å; Y91-P109 HydrophobicContact CE1-CB 4Å; Y91-P109 HydrophobicContact CE1-CG 3.48Å; Y91-P109 VanDerWaalsContact CE1-CG 3.48Å; Y91-P109 HydrophobicContact CE2-CB 4.17Å; P109-G111 PolarHBondContact O-N 3.32Å |
| 110 | S | 90.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.5 | 171 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | L108 Q112 T149 | L108-S110 WeakPolarHBondContact CB-OG 3.38Å; L108-S110 PolarHBondContact O-N 2.68Å; L108-S110 VanDerWaalsContact O-N 3.14Å; S110-Q112 VanDerWaalsContact C-N 3.33Å; S110-Q112 PolarHBondContact OG-OE1 3.04Å; S110-T149 WeakPolarHBondContact O-CG2 3.2Å |
| 111 | G | 92.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 82.1 | 9.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L108 P109 L148 | L108-G111 PolarHBondContact O-N 3.03Å; P109-G111 PolarHBondContact O-N 3.32Å; G111-L148 VanDerWaalsContact O-CB 3.22Å; G111-L148 WeakPolarHBondContact O-CB 3.47Å; G111-L148 WeakPolarHBondContact O-CG 2.98Å; G111-L148 PolarHBondContact O-N 2.88Å |
| 112 | Q | 94.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 24.6 Ų | 24.6 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.1 | 172.6 | -67.4 | 177.3 | -36.5 | 0 | 0 | 110.7 | L108 S110 T145 | L108-Q112 HydrophobicContact CB-CB 4.4Å; L108-Q112 HydrophobicContact CD1-CB 4.28Å; L108-Q112 HydrophobicContact CG-CB 4.49Å; L108-Q112 PolarHBondContact N-O 2.91Å; S110-Q112 VanDerWaalsContact C-N 3.33Å; S110-Q112 PolarHBondContact OG-OE1 3.04Å; Q112-T145 HydrophobicContact CB-CG2 4.46Å |
| 113 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118 | 169 | 177.7 | 66.4 | 0 | 0 | 0 | 109.1 | V72 F75 L76 I105 L107 L115 I146 L148 | V72-L113 HydrophobicContact CG1-CD1 4.32Å; V72-L113 HydrophobicContact CG1-CD2 3.96Å; F75-L113 HydrophobicContact CD2-CD1 4.21Å; L76-L113 HydrophobicContact CD1-CD2 4.39Å; I105-L113 HydrophobicContact CG2-CD1 4.01Å; L107-L113 HydrophobicContact CB-CD1 4.44Å; L107-L113 HydrophobicContact CD1-CB 4.16Å; L113-L115 HydrophobicContact CD1-CD2 4.12Å; L113-L115 HydrophobicContact CD2-CD2 4.33Å; L113-L115 HydrophobicContact CG-CD2 3.97Å; L113-I146 HydrophobicContact CB-CB 4.39Å; L113-I146 HydrophobicContact CD2-CD1 4.36Å; L113-I146 PolarHBondContact N-O 3.11Å; L113-I146 PolarHBondContact O-N 2.82Å; L113-L148 HydrophobicContact CB-CD1 4.02Å; L113-L148 HydrophobicContact CB-CG 4.18Å |
| 114 | I | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.6 | -175.6 | -64.2 | 167.5 | 0 | 0 | 0 | 108.6 | I105 A106 L108 V143 V144 T145 P319 V320 | I105-I114 WeakPolarHBondContact CA-O 3.45Å; A106-I114 PolarHBondContact N-O 3.04Å; A106-I114 PolarHBondContact O-N 3.13Å; L108-I114 HydrophobicContact CD1-CD1 3.6Å; L108-I114 HydrophobicContact CG-CD1 3.99Å; I114-V143 HydrophobicContact CG2-CG1 4Å; I114-V144 WeakPolarHBondContact CA-O 3.42Å; I114-T145 HydrophobicContact CG1-CG2 4.03Å; I114-P319 HydrophobicContact CG2-CB 4.23Å; I114-P319 HydrophobicContact CG2-CG 4.39Å; I114-V320 HydrophobicContact CB-CG2 4.49Å; I114-V320 HydrophobicContact CD1-CG2 3.36Å; I114-V320 HydrophobicContact CG1-CG2 4.5Å; I114-V320 HydrophobicContact CG2-CG2 4.24Å |
| 115 | L | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 112 | 176.3 | -40.3 | 176.4 | 0 | 0 | 0 | 107.9 | V72 I105 L113 V117 L125 V143 V144 I146 L167 | V72-L115 HydrophobicContact CG1-CD2 4.05Å; I105-L115 HydrophobicContact CB-CD2 4.38Å; I105-L115 HydrophobicContact CD1-CD2 4.29Å; I105-L115 HydrophobicContact CG1-CD2 4.1Å; I105-L115 HydrophobicContact CG2-CD2 3.65Å; L113-L115 HydrophobicContact CD1-CD2 4.12Å; L113-L115 HydrophobicContact CD2-CD2 4.33Å; L113-L115 HydrophobicContact CG-CD2 3.97Å; L115-V117 HydrophobicContact CB-CG1 4Å; L115-L125 HydrophobicContact CD1-CD1 4.42Å; L115-V143 CarbonylContact O-C 3.57Å; L115-V143 WeakPolarHBondContact O-CA 3.2Å; L115-V144 HydrophobicContact CB-CB 4.19Å; L115-V144 HydrophobicContact CD1-CB 4.41Å; L115-V144 HydrophobicContact CD1-CG1 4.42Å; L115-V144 HydrophobicContact CG-CB 4.48Å; L115-V144 PolarHBondContact N-O 2.96Å; L115-V144 PolarHBondContact O-N 3.16Å; L115-I146 HydrophobicContact CD1-CD1 4.26Å; L115-L167 HydrophobicContact CD1-CD2 4.04Å |
| 116 | S | 93.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 107.2 | 166.7 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | N103 T104 R141 | N103-S116 CarbonylContact C-O 3.56Å; N103-S116 WeakPolarHBondContact CA-O 3.19Å; T104-S116 PolarHBondContact N-O 3.37Å; T104-S116 PolarHBondContact O-N 3.4Å; S116-R141 PolarHBondContact O-NH2 2.96Å; S116-R141 PolarHBondContact OG-NH2 3.38Å |
| 117 | V | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.6 | -169.5 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | N103 L115 T121 L125 R141 Y142 L173 | N103-V117 HydrophobicContact CB-CG1 4.2Å; N103-V117 WeakPolarHBondContact OD1-CA 3.35Å; N103-V117 WeakPolarHBondContact OD1-CB 3.41Å; L115-V117 HydrophobicContact CB-CG1 4Å; V117-T121 HydrophobicContact CB-CG2 3.84Å; V117-T121 HydrophobicContact CG1-CG2 3.89Å; V117-T121 HydrophobicContact CG2-CG2 4.41Å; V117-L125 HydrophobicContact CG1-CD1 4.44Å; V117-L125 HydrophobicContact CG2-CD1 4.32Å; V117-R141 VanDerWaalsContact C-NH1 3.29Å; V117-R141 WeakPolarHBondContact O-CA 3.24Å; V117-Y142 PolarHBondContact N-O 2.88Å; V117-Y142 PolarHBondContact O-N 3.29Å; V117-L173 HydrophobicContact CG1-CD1 4.42Å |
| 118 | D | 93.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 166.8 | 170.2 | 65.6 | 45.9 | 0 | 0 | 0 | 111.9 | N103 D120 T121 Y122 | N103-D118 PolarHBondContact OD1-N 3.35Å; N103-D118 PolarHBondContact OD1-OD2 2.6Å; D118-D120 PolarHBondContact O-N 2.85Å; D118-D120 PolarHBondContact OD1-N 2.92Å; D118-T121 VanDerWaalsContact CG-OG1 3.28Å; D118-T121 WeakPolarHBondContact OD1-CB 3.45Å; D118-T121 PolarHBondContact OD1-N 2.97Å; D118-T121 PolarHBondContact OD1-OG1 3.49Å; D118-T121 PolarHBondContact OD2-OG1 3.21Å; D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 PolarHBondContact O-N 3.37Å |
| 119 | K | 92.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 30% | 0.3 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -45 | -179.3 | -178.4 | 179.4 | 173.1 | -170.9 | 0 | 112.9 | Y122 E123 M140 Y142 | K119-Y122 PolarHBondContact O-N 3.24Å; K119-E123 WeakPolarHBondContact CE-OE1 3.33Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.39Å; K119-M140 PolarHBondContact N-O 3.25Å; K119-M140 VanDerWaalsContact N-O 3.08Å; K119-Y142 HydrophobicContact CB-CD2 4.36Å; K119-Y142 HydrophobicContact CB-CE2 3.91Å; K119-Y142 HydrophobicContact CG-CE2 3.91Å |
| 120 | D | 93.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.1 | -43 | -174.5 | -65.5 | -13.9 | 0 | 0 | 0 | 110.7 | D118 E123 Q124 | D118-D120 PolarHBondContact O-N 2.85Å; D118-D120 PolarHBondContact OD1-N 2.92Å; D120-E123 PolarHBondContact O-N 2.96Å; D120-Q124 WeakPolarHBondContact O-CB 3.29Å; D120-Q124 VanDerWaalsContact O-CG 3.24Å; D120-Q124 WeakPolarHBondContact O-CG 3.32Å; D120-Q124 PolarHBondContact O-N 2.81Å; D120-Q124 VanDerWaalsContact O-N 3.08Å; D120-Q124 PolarHBondContact O-NE2 3.05Å |
| 121 | T | 94.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | N103 V117 D118 Q124 L125 V171 L173 | N103-T121 PolarHBondContact ND2-OG1 2.82Å; V117-T121 HydrophobicContact CB-CG2 3.84Å; V117-T121 HydrophobicContact CG1-CG2 3.89Å; V117-T121 HydrophobicContact CG2-CG2 4.41Å; D118-T121 VanDerWaalsContact CG-OG1 3.28Å; D118-T121 WeakPolarHBondContact OD1-CB 3.45Å; D118-T121 PolarHBondContact OD1-N 2.97Å; D118-T121 PolarHBondContact OD1-OG1 3.49Å; D118-T121 PolarHBondContact OD2-OG1 3.21Å; T121-Q124 PolarHBondContact O-N 3.11Å; T121-L125 HydrophobicContact CG2-CD1 3.98Å; T121-L125 HydrophobicContact CG2-CG 4.33Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 VanDerWaalsContact O-CG 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.23Å; T121-V171 HydrophobicContact CG2-CG1 4.21Å; T121-L173 HydrophobicContact CG2-CD1 4.27Å; T121-L173 HydrophobicContact CG2-CD2 3.84Å |
| 122 | Y | 95.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 177.6 | 176.7 | -110.5 | 0 | 0 | 0 | 112.5 | D118 K119 Q124 L125 G126 V127 G129 Y142 V144 | D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 PolarHBondContact O-N 3.37Å; K119-Y122 PolarHBondContact O-N 3.24Å; Y122-Q124 VanDerWaalsContact C-N 3.31Å; Y122-Q124 PolarHBondContact O-N 2.99Å; Y122-L125 PolarHBondContact O-N 3.15Å; Y122-G126 PolarHBondContact O-N 3.12Å; Y122-V127 WeakPolarHBondContact CE2-O 3.14Å; Y122-G129 PolarHBondContact OH-N 3Å; Y122-G129 PolarHBondContact OH-O 2.91Å; Y122-Y142 AromaticContact CD1-CD1 3.46Å; Y122-Y142 HydrophobicContact CD1-CD1 3.46Å; Y122-Y142 VanDerWaalsContact CD1-CD1 3.46Å; Y122-Y142 AromaticContact CD1-CD2 3.92Å; Y122-Y142 HydrophobicContact CD1-CD2 3.92Å; Y122-Y142 AromaticContact CD1-CE1 3.77Å; Y122-Y142 HydrophobicContact CD1-CE1 3.77Å; Y122-Y142 HydrophobicContact CD1-CE2 4.22Å; Y122-Y142 AromaticContact CD1-CG 3.54Å; Y122-Y142 HydrophobicContact CD1-CG 3.54Å; Y122-Y142 HydrophobicContact CD2-CD1 4.29Å; Y122-Y142 HydrophobicContact CD2-CG 4.09Å; Y122-Y142 AromaticContact CE1-CD1 3.46Å; Y122-Y142 HydrophobicContact CE1-CD1 3.46Å; Y122-Y142 VanDerWaalsContact CE1-CD1 3.46Å; Y122-Y142 AromaticContact CE1-CE1 3.66Å; Y122-Y142 HydrophobicContact CE1-CE1 3.66Å; Y122-Y142 HydrophobicContact CE1-CG 4.03Å; Y122-Y142 HydrophobicContact CE2-CD1 4.31Å; Y122-Y142 AromaticContact CG-CD1 3.9Å; Y122-Y142 HydrophobicContact CG-CD1 3.9Å; Y122-Y142 HydrophobicContact CG-CD2 4.05Å; Y122-Y142 AromaticContact CG-CG 3.57Å; Y122-Y142 HydrophobicContact CG-CG 3.57Å; Y122-Y142 AromaticContact CZ-CD1 3.9Å; Y122-V144 HydrophobicContact CD2-CG2 3.73Å; Y122-V144 HydrophobicContact CE2-CG2 3.83Å |
| 123 | E | 94.1 | Very high | 92.2 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | 180 | -72.2 | -179.5 | -179.6 | 0 | 0 | 111.8 | K119 D120 | K119-E123 WeakPolarHBondContact CE-OE1 3.33Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.39Å; D120-E123 PolarHBondContact O-N 2.96Å |
| 124 | Q | 94.1 | Very high | 91 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.5 | -37.8 | 176.6 | -69.9 | 174.9 | 45.1 | 0 | 0 | 113.3 | D120 T121 Y122 G126 V171 | D120-Q124 WeakPolarHBondContact O-CB 3.29Å; D120-Q124 VanDerWaalsContact O-CG 3.24Å; D120-Q124 WeakPolarHBondContact O-CG 3.32Å; D120-Q124 PolarHBondContact O-N 2.81Å; D120-Q124 VanDerWaalsContact O-N 3.08Å; D120-Q124 PolarHBondContact O-NE2 3.05Å; T121-Q124 PolarHBondContact O-N 3.11Å; Y122-Q124 VanDerWaalsContact C-N 3.31Å; Y122-Q124 PolarHBondContact O-N 2.99Å; Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.34Å; Q124-V171 HydrophobicContact CB-CG2 3.4Å |
| 125 | L | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.3 | -80.7 | 169 | 0 | 0 | 0 | 110.6 | L115 V117 T121 Y122 V127 S166 L167 V171 L173 | L115-L125 HydrophobicContact CD1-CD1 4.42Å; V117-L125 HydrophobicContact CG1-CD1 4.44Å; V117-L125 HydrophobicContact CG2-CD1 4.32Å; T121-L125 HydrophobicContact CG2-CD1 3.98Å; T121-L125 HydrophobicContact CG2-CG 4.33Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 VanDerWaalsContact O-CG 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.23Å; Y122-L125 PolarHBondContact O-N 3.15Å; L125-V127 HydrophobicContact CB-CG2 4.48Å; L125-V127 PolarHBondContact O-N 3.37Å; L125-S166 WeakPolarHBondContact O-CB 2.94Å; L125-S166 PolarHBondContact O-OG 2.64Å; L125-L167 HydrophobicContact CD2-CD2 3.73Å; L125-V171 HydrophobicContact CD2-CB 3.91Å; L125-V171 HydrophobicContact CD2-CG2 4.29Å; L125-V171 HydrophobicContact CG-CB 4.28Å; L125-V171 HydrophobicContact CG-CG2 4.26Å; L125-L173 HydrophobicContact CD1-CD1 4.23Å; L125-L173 HydrophobicContact CD2-CD1 4.29Å |
| 126 | G | 91.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | trans | 63 | 28.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y122 Q124 R162 | Y122-G126 PolarHBondContact O-N 3.12Å; Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.34Å; G126-R162 PolarHBondContact O-NH2 3.08Å | ||
| 127 | V | 91.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | trans | -102.4 | 146.1 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | Y122 L125 G129 V144 V163 | Y122-V127 WeakPolarHBondContact CE2-O 3.14Å; L125-V127 HydrophobicContact CB-CG2 4.48Å; L125-V127 PolarHBondContact O-N 3.37Å; V127-G129 PolarHBondContact O-N 3.32Å; V127-V144 HydrophobicContact CB-CG1 4.2Å; V127-V144 HydrophobicContact CG1-CG1 3.72Å; V127-V163 HydrophobicContact CG1-CG2 4.43Å | ||
| 128 | E | 92.2 | Very high | 86.4 | Confident | 169 Ų | 169 | 78.6 Ų | 78.6 | 79% | 0.79 | 38% | 0.38 | S | S | * | . | trans | -65.3 | 125.5 | 179.4 | -172.7 | 176.4 | -177.9 | 0 | 0 | 111 | ||||
| 129 | G | 92 | Very high | 85.9 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | trans | -148.3 | -173.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y122 V127 V143 | Y122-G129 PolarHBondContact OH-N 3Å; Y122-G129 PolarHBondContact OH-O 2.91Å; V127-G129 PolarHBondContact O-N 3.32Å; G129-V143 WeakPolarHBondContact CA-O 3.39Å | ||
| 130 | K | 92.3 | Very high | 85.6 | Confident | 107 Ų | 107 | 80.7 Ų | 80.7 | 47% | 0.465 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.6 | 179.4 | 61.2 | -174.1 | 179.5 | -176.5 | 0 | 110.2 | S132 Y142 V143 | K130-S132 PolarHBondContact O-N 3.22Å; K130-Y142 CarbonylContact O-C 3.6Å; K130-Y142 WeakPolarHBondContact O-CA 3.23Å; K130-V143 HydrophobicContact CG-CB 4.43Å; K130-V143 PolarHBondContact N-O 3.14Å; K130-V143 PolarHBondContact O-N 3.09Å |
| 131 | P | 90.1 | Very high | 85.4 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 138.4 | 165.9 | -21.3 | 32.1 | 0 | 0 | 0 | 110 | P139 Y142 | P131-P139 HydrophobicContact CB-CB 3.92Å; P131-Y142 HydrophobicContact CB-CD1 4.41Å; P131-Y142 HydrophobicContact CB-CE1 4.26Å; P131-Y142 HydrophobicContact CG-CD1 4.29Å; P131-Y142 HydrophobicContact CG-CE1 3.91Å |
| 132 | S | 85.6 | Confident | 85.3 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | trans | -54.2 | 145.5 | 172.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | K130 Y134 N135 R141 E326 | K130-S132 PolarHBondContact O-N 3.22Å; S132-Y134 PolarHBondContact O-N 3.03Å; S132-Y134 PolarHBondContact OG-N 3.45Å; S132-N135 PolarHBondContact N-ND2 3.26Å; S132-N135 PolarHBondContact O-ND2 3.21Å; S132-R141 VanDerWaalsContact CB-O 3.32Å; S132-R141 WeakPolarHBondContact CB-O 3.4Å; S132-R141 PolarHBondContact N-O 2.72Å; S132-E326 WeakPolarHBondContact CA-OE1 3.39Å; S132-E326 WeakPolarHBondContact CB-OE1 3.49Å; S132-E326 PolarHBondContact OG-OE1 3.13Å | ||
| 133 | Q | 76.1 | Confident | 85.2 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65.9 | -21.2 | 171.1 | -74 | 165.5 | 89.7 | 0 | 0 | 111.9 | N135 E326 | Q133-N135 PolarHBondContact O-N 3.3Å; Q133-E326 WeakPolarHBondContact CG-OE2 3.48Å; Q133-E326 PolarHBondContact N-OE1 3.31Å; Q133-E326 VanDerWaalsContact N-OE1 3.16Å; Q133-E326 PolarHBondContact N-OE2 2.8Å; Q133-E326 VanDerWaalsContact N-OE2 3.14Å; Q133-E326 PolarHBondContact NE2-OE2 3.22Å |
| 134 | Y | 69.4 | Low | 85.2 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -98.5 | 56.8 | -174.5 | -53.2 | -73.9 | 0 | 0 | 0 | 111.1 | S132 E326 H327 H330 H356 D357 | S132-Y134 PolarHBondContact O-N 3.03Å; S132-Y134 PolarHBondContact OG-N 3.45Å; Y134-E326 HydrophobicContact CD2-CG 4.08Å; Y134-E326 WeakPolarHBondContact CD2-OE1 3.21Å; Y134-E326 HydrophobicContact CE2-CB 3.87Å; Y134-E326 HydrophobicContact CE2-CG 3.62Å; Y134-E326 PolarHBondContact OH-O 2.94Å; Y134-H327 VanDerWaalsContact CE2-C 3.43Å; Y134-H330 WeakPolarHBondContact CA-NE2 3.34Å; Y134-H330 VanDerWaalsContact CB-NE2 3.31Å; Y134-H330 WeakPolarHBondContact CB-NE2 3.33Å; Y134-H330 AromaticContact CD1-CD2 3.72Å; Y134-H330 AromaticContact CD1-NE2 3.56Å; Y134-H330 AromaticContact CG-NE2 3.89Å; Y134-H356 HydrophobicContact CD1-CB 3.51Å; Y134-H356 HydrophobicContact CE1-CB 3.15Å; Y134-H356 PolarHBondContact OH-O 2.87Å; Y134-H356 VanDerWaalsContact OH-O 3.13Å; Y134-D357 WeakPolarHBondContact OH-CA 3.41Å; Y134-D357 PolarHBondContact OH-OD1 2.71Å |
| 135 | N | 66.6 | Low | 85.2 | Confident | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | trans | -112.7 | 146.5 | -177.5 | -85 | -48.5 | 0 | 0 | 0 | 112.2 | S132 Q133 P139 M140 R141 | S132-N135 PolarHBondContact N-ND2 3.26Å; S132-N135 PolarHBondContact O-ND2 3.21Å; Q133-N135 PolarHBondContact O-N 3.3Å; N135-P139 HydrophobicContact CB-CB 4.49Å; N135-P139 VanDerWaalsContact CG-CA 3.48Å; N135-P139 WeakPolarHBondContact OD1-CA 3.35Å; N135-M140 PolarHBondContact OD1-N 2.97Å; N135-R141 PolarHBondContact ND2-O 2.84Å; N135-R141 VanDerWaalsContact ND2-O 3.14Å; N135-R141 PolarHBondContact OD1-N 3.42Å | ||
| 136 | H | 66 | Low | 85.3 | Confident | 159 Ų | 159 | 67.1 Ų | 67.1 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | trans | -78.8 | -165 | 167 | -68 | -56.3 | 0 | 0 | 0 | 110.5 | Q138 | H136-Q138 CarbonylContact O-C 3.59Å; H136-Q138 PolarHBondContact O-N 3.06Å | ||
| 137 | R | 71.1 | Confident | 85.4 | Confident | 261 Ų | 261 | 68.1 Ų | 68.1 | 99% | 0.985 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -50.2 | -27.2 | -177.1 | -70.9 | -176.4 | 179.9 | 173.7 | 1.1 | 114.5 | ||
| 138 | Q | 78.9 | Confident | 85.5 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -122.6 | 140.3 | 170.5 | -66.1 | -169.5 | -2.2 | 0 | 0 | 109.9 | H136 M140 | H136-Q138 CarbonylContact O-C 3.59Å; H136-Q138 PolarHBondContact O-N 3.06Å; Q138-M140 PolarHBondContact O-N 3.3Å |
| 139 | P | 82.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | trans | -69.9 | 117.6 | 177.4 | 28.8 | -32.9 | 0 | 0 | 0 | 110.4 | P131 N135 Y142 | P131-P139 HydrophobicContact CB-CB 3.92Å; N135-P139 HydrophobicContact CB-CB 4.49Å; N135-P139 VanDerWaalsContact CG-CA 3.48Å; N135-P139 WeakPolarHBondContact OD1-CA 3.35Å; P139-Y142 HydrophobicContact CB-CE2 4.49Å | ||
| 140 | M | 86.4 | Confident | 85.4 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | trans | -110.1 | -14.2 | 177.8 | -65.4 | -58 | -64.4 | 0 | 0 | 112.1 | K119 N135 Q138 | K119-M140 PolarHBondContact N-O 3.25Å; K119-M140 VanDerWaalsContact N-O 3.08Å; N135-M140 PolarHBondContact OD1-N 2.97Å; Q138-M140 PolarHBondContact O-N 3.3Å | ||
| 141 | R | 89.9 | Confident | 85.2 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.4 | 179.3 | -62.1 | -66.8 | -69.4 | 178.7 | -9.6 | 110.5 | I99 D102 S116 V117 S132 N135 | I99-R141 VanDerWaalsContact O-CZ 3.3Å; I99-R141 PolarHBondContact O-NE 2.98Å; I99-R141 PolarHBondContact O-NH2 3.3Å; D102-R141 PolarHBondContact O-NH1 3.39Å; D102-R141 PolarHBondContact O-NH2 3.05Å; S116-R141 PolarHBondContact O-NH2 2.96Å; S116-R141 PolarHBondContact OG-NH2 3.38Å; V117-R141 VanDerWaalsContact C-NH1 3.29Å; V117-R141 WeakPolarHBondContact O-CA 3.24Å; S132-R141 VanDerWaalsContact CB-O 3.32Å; S132-R141 WeakPolarHBondContact CB-O 3.4Å; S132-R141 PolarHBondContact N-O 2.72Å; N135-R141 PolarHBondContact ND2-O 2.84Å; N135-R141 VanDerWaalsContact ND2-O 3.14Å; N135-R141 PolarHBondContact OD1-N 3.42Å |
| 142 | Y | 92.2 | Very high | 85.1 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 11% | 0.114 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141 | -178.6 | -68.7 | -98 | 0 | 0 | 0 | 110 | V117 K119 Y122 K130 P131 P139 | V117-Y142 PolarHBondContact N-O 2.88Å; V117-Y142 PolarHBondContact O-N 3.29Å; K119-Y142 HydrophobicContact CB-CD2 4.36Å; K119-Y142 HydrophobicContact CB-CE2 3.91Å; K119-Y142 HydrophobicContact CG-CE2 3.91Å; Y122-Y142 AromaticContact CD1-CD1 3.46Å; Y122-Y142 HydrophobicContact CD1-CD1 3.46Å; Y122-Y142 VanDerWaalsContact CD1-CD1 3.46Å; Y122-Y142 AromaticContact CD1-CD2 3.92Å; Y122-Y142 HydrophobicContact CD1-CD2 3.92Å; Y122-Y142 AromaticContact CD1-CE1 3.77Å; Y122-Y142 HydrophobicContact CD1-CE1 3.77Å; Y122-Y142 HydrophobicContact CD1-CE2 4.22Å; Y122-Y142 AromaticContact CD1-CG 3.54Å; Y122-Y142 HydrophobicContact CD1-CG 3.54Å; Y122-Y142 HydrophobicContact CD2-CD1 4.29Å; Y122-Y142 HydrophobicContact CD2-CG 4.09Å; Y122-Y142 AromaticContact CE1-CD1 3.46Å; Y122-Y142 HydrophobicContact CE1-CD1 3.46Å; Y122-Y142 VanDerWaalsContact CE1-CD1 3.46Å; Y122-Y142 AromaticContact CE1-CE1 3.66Å; Y122-Y142 HydrophobicContact CE1-CE1 3.66Å; Y122-Y142 HydrophobicContact CE1-CG 4.03Å; Y122-Y142 HydrophobicContact CE2-CD1 4.31Å; Y122-Y142 AromaticContact CG-CD1 3.9Å; Y122-Y142 HydrophobicContact CG-CD1 3.9Å; Y122-Y142 HydrophobicContact CG-CD2 4.05Å; Y122-Y142 AromaticContact CG-CG 3.57Å; Y122-Y142 HydrophobicContact CG-CG 3.57Å; Y122-Y142 AromaticContact CZ-CD1 3.9Å; K130-Y142 CarbonylContact O-C 3.6Å; K130-Y142 WeakPolarHBondContact O-CA 3.23Å; P131-Y142 HydrophobicContact CB-CD1 4.41Å; P131-Y142 HydrophobicContact CB-CE1 4.26Å; P131-Y142 HydrophobicContact CG-CD1 4.29Å; P131-Y142 HydrophobicContact CG-CE1 3.91Å; P139-Y142 HydrophobicContact CB-CE2 4.49Å |
| 143 | V | 93.1 | Very high | 85.3 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.4 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | I114 L115 G129 K130 E326 | I114-V143 HydrophobicContact CG2-CG1 4Å; L115-V143 CarbonylContact O-C 3.57Å; L115-V143 WeakPolarHBondContact O-CA 3.2Å; G129-V143 WeakPolarHBondContact CA-O 3.39Å; K130-V143 HydrophobicContact CG-CB 4.43Å; K130-V143 PolarHBondContact N-O 3.14Å; K130-V143 PolarHBondContact O-N 3.09Å; V143-E326 HydrophobicContact CG2-CG 3.99Å; V143-E326 WeakPolarHBondContact CG2-OE1 3.45Å |
| 144 | V | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.7 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | I114 L115 Y122 V127 I146 | I114-V144 WeakPolarHBondContact CA-O 3.42Å; L115-V144 HydrophobicContact CB-CB 4.19Å; L115-V144 HydrophobicContact CD1-CB 4.41Å; L115-V144 HydrophobicContact CD1-CG1 4.42Å; L115-V144 HydrophobicContact CG-CB 4.48Å; L115-V144 PolarHBondContact N-O 2.96Å; L115-V144 PolarHBondContact O-N 3.16Å; Y122-V144 HydrophobicContact CD2-CG2 3.73Å; Y122-V144 HydrophobicContact CE2-CG2 3.83Å; V127-V144 HydrophobicContact CB-CG1 4.2Å; V127-V144 HydrophobicContact CG1-CG1 3.72Å; V144-I146 HydrophobicContact CG1-CD1 4.11Å; V144-I146 HydrophobicContact CG1-CG1 4.02Å |
| 145 | T | 95.2 | Very high | 86.6 | Confident | 57 Ų | 57 | 66 Ų | 66 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.1 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | Q112 I114 | Q112-T145 HydrophobicContact CB-CG2 4.46Å; I114-T145 HydrophobicContact CG1-CG2 4.03Å |
| 146 | I | 94.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.3 | 180 | -58 | 155.9 | 0 | 0 | 0 | 107.6 | L113 L115 V144 L148 M153 V163 | L113-I146 HydrophobicContact CB-CB 4.39Å; L113-I146 HydrophobicContact CD2-CD1 4.36Å; L113-I146 PolarHBondContact N-O 3.11Å; L113-I146 PolarHBondContact O-N 2.82Å; L115-I146 HydrophobicContact CD1-CD1 4.26Å; V144-I146 HydrophobicContact CG1-CD1 4.11Å; V144-I146 HydrophobicContact CG1-CG1 4.02Å; I146-L148 HydrophobicContact CG2-CD2 3.85Å; I146-L148 PolarHBondContact O-N 2.96Å; I146-M153 HydrophobicContact CG2-CE 3.69Å; I146-M153 HydrophobicContact CG2-CG 4.39Å; I146-M153 HydrophobicContact CG2-SD 4.16Å; I146-V163 HydrophobicContact CD1-CG1 3.77Å; I146-V163 HydrophobicContact CG2-CG1 4.48Å |
| 147 | D | 94 | Very high | 88.6 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.4 | 172 | -174.5 | -13.7 | 0 | 0 | 0 | 109.7 | T149 D150 M153 | D147-T149 PolarHBondContact O-N 2.75Å; D147-T149 WeakPolarHBondContact OD1-CA 3.4Å; D147-T149 WeakPolarHBondContact OD1-CB 3.43Å; D147-T149 PolarHBondContact OD1-N 2.81Å; D147-T149 PolarHBondContact OD1-OG1 3.49Å; D147-D150 HydrophobicContact CB-CB 4.11Å; D147-D150 WeakPolarHBondContact O-CB 3.29Å; D147-D150 PolarHBondContact O-N 3.38Å; D147-D150 PolarHBondContact OD1-N 3.02Å; D147-M153 WeakPolarHBondContact O-CG 3.33Å |
| 148 | L | 93.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8 | -179.4 | -57.2 | 176.4 | 0 | 0 | 0 | 112.9 | L76 L81 V85 W86 L107 G111 L113 I146 M153 | L76-L148 HydrophobicContact CD2-CD2 4.45Å; L76-L148 HydrophobicContact CG-CD2 4.26Å; L81-L148 HydrophobicContact CD2-CB 3.86Å; L81-L148 HydrophobicContact CD2-CD1 3.99Å; L81-L148 HydrophobicContact CD2-CD2 4.45Å; L81-L148 HydrophobicContact CD2-CG 4.33Å; V85-L148 HydrophobicContact CG1-CB 4.02Å; V85-L148 HydrophobicContact CG1-CD1 4.01Å; W86-L148 PolarHBondContact NE1-O 3.18Å; L107-L148 HydrophobicContact CD1-CD1 3.86Å; G111-L148 VanDerWaalsContact O-CB 3.22Å; G111-L148 WeakPolarHBondContact O-CB 3.47Å; G111-L148 WeakPolarHBondContact O-CG 2.98Å; G111-L148 PolarHBondContact O-N 2.88Å; L113-L148 HydrophobicContact CB-CD1 4.02Å; L113-L148 HydrophobicContact CB-CG 4.18Å; I146-L148 HydrophobicContact CG2-CD2 3.85Å; I146-L148 PolarHBondContact O-N 2.96Å; L148-M153 HydrophobicContact CD2-CE 4.03Å |
| 149 | T | 90.9 | Very high | 90.3 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 44% | 0.436 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -14.8 | 176.4 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | S110 D147 | S110-T149 WeakPolarHBondContact O-CG2 3.2Å; D147-T149 PolarHBondContact O-N 2.75Å; D147-T149 WeakPolarHBondContact OD1-CA 3.4Å; D147-T149 WeakPolarHBondContact OD1-CB 3.43Å; D147-T149 PolarHBondContact OD1-N 2.81Å; D147-T149 PolarHBondContact OD1-OG1 3.49Å |
| 150 | D | 91.4 | Very high | 90.8 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -62 | 139.9 | 178.4 | -173.8 | -74.8 | 0 | 0 | 0 | 111.3 | D147 S152 M153 | D147-D150 HydrophobicContact CB-CB 4.11Å; D147-D150 WeakPolarHBondContact O-CB 3.29Å; D147-D150 PolarHBondContact O-N 3.38Å; D147-D150 PolarHBondContact OD1-N 3.02Å; D150-S152 PolarHBondContact O-N 3.02Å; D150-S152 VanDerWaalsContact O-N 3.11Å; D150-S152 WeakPolarHBondContact OD1-CA 3.4Å; D150-S152 WeakPolarHBondContact OD1-CB 3.38Å; D150-S152 PolarHBondContact OD1-N 3.19Å; D150-S152 PolarHBondContact OD1-OG 2.77Å; D150-M153 WeakPolarHBondContact O-CA 3.25Å; D150-M153 WeakPolarHBondContact O-CB 3.45Å; D150-M153 PolarHBondContact O-N 2.99Å |
| 151 | K | 87.9 | Confident | 91.2 | Very high | 196 Ų | 196 | 57.3 Ų | 57.3 | 85% | 0.852 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -57.4 | -29.9 | -179 | -64.4 | -179 | -178.5 | 177.4 | 0 | 113.2 | M153 A154 | K151-M153 PolarHBondContact O-N 3.15Å; K151-A154 VanDerWaalsContact O-CB 3.27Å; K151-A154 WeakPolarHBondContact O-CB 3.47Å; K151-A154 PolarHBondContact O-N 2.84Å |
| 152 | S | 87.3 | Confident | 91.4 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -70 | -19.6 | 175.6 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | D150 R159 | D150-S152 PolarHBondContact O-N 3.02Å; D150-S152 VanDerWaalsContact O-N 3.11Å; D150-S152 WeakPolarHBondContact OD1-CA 3.4Å; D150-S152 WeakPolarHBondContact OD1-CB 3.38Å; D150-S152 PolarHBondContact OD1-N 3.19Å; D150-S152 PolarHBondContact OD1-OG 2.77Å; S152-R159 WeakPolarHBondContact O-CB 3.4Å; S152-R159 WeakPolarHBondContact OG-CD 3.45Å; S152-R159 PolarHBondContact OG-NH1 2.81Å |
| 153 | M | 90.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -94.1 | 8.7 | 174.6 | -69.3 | -58.7 | -64.4 | 0 | 0 | 113.2 | L76 I146 D147 L148 D150 K151 R159 Y160 V163 | L76-M153 HydrophobicContact CD2-CE 3.95Å; I146-M153 HydrophobicContact CG2-CE 3.69Å; I146-M153 HydrophobicContact CG2-CG 4.39Å; I146-M153 HydrophobicContact CG2-SD 4.16Å; D147-M153 WeakPolarHBondContact O-CG 3.33Å; L148-M153 HydrophobicContact CD2-CE 4.03Å; D150-M153 WeakPolarHBondContact O-CA 3.25Å; D150-M153 WeakPolarHBondContact O-CB 3.45Å; D150-M153 PolarHBondContact O-N 2.99Å; K151-M153 PolarHBondContact O-N 3.15Å; M153-R159 HydrophobicContact SD-CB 4.23Å; M153-R159 HydrophobicContact SD-CG 3.73Å; M153-Y160 HydrophobicContact CE-CD2 4.33Å; M153-V163 HydrophobicContact CE-CB 4.12Å; M153-V163 HydrophobicContact CE-CG1 4.26Å; M153-V163 HydrophobicContact CE-CG2 4.18Å; M153-V163 HydrophobicContact SD-CG2 4.19Å |
| 154 | A | 87.6 | Confident | 91.6 | Very high | 43 Ų | 43 | 64 Ų | 64 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -54.2 | 139.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K151 E156 G157 Y160 | K151-A154 VanDerWaalsContact O-CB 3.27Å; K151-A154 WeakPolarHBondContact O-CB 3.47Å; K151-A154 PolarHBondContact O-N 2.84Å; A154-E156 PolarHBondContact O-N 2.87Å; A154-G157 PolarHBondContact O-N 2.86Å; A154-Y160 WeakPolarHBondContact O-CB 3.44Å |
| 155 | P | 86 | Confident | 91.5 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 137.5 | 176.8 | -29.6 | 36 | 0 | 0 | 0 | 111.4 | K78 W86 G157 | K78-P155 HydrophobicContact CD-CB 3.9Å; K78-P155 HydrophobicContact CG-CB 3.93Å; K78-P155 HydrophobicContact CG-CG 4.21Å; W86-P155 HydrophobicContact CH2-CG 4.46Å; P155-G157 PolarHBondContact O-N 3.49Å |
| 156 | E | 85 | Confident | 91.5 | Very high | 136 Ų | 136 | 62.8 Ų | 62.8 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -4.6 | -178.2 | -48.7 | 172.4 | -178.6 | 0 | 0 | 115.6 | K78 A154 | K78-E156 IonicContact NZ-OE1 3.42Å; K78-E156 PolarHBondContact NZ-OE1 3.03Å; A154-E156 PolarHBondContact O-N 2.87Å |
| 157 | G | 88.9 | Confident | 91.5 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | trans | -63.3 | 151.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A154 P155 R159 Y160 Q161 | A154-G157 PolarHBondContact O-N 2.86Å; P155-G157 PolarHBondContact O-N 3.49Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 3.17Å; G157-Y160 WeakPolarHBondContact O-CB 3.32Å; G157-Y160 PolarHBondContact O-N 2.84Å; G157-Q161 WeakPolarHBondContact O-CG 3.27Å; G157-Q161 PolarHBondContact O-N 3.32Å | ||
| 158 | K | 92.2 | Very high | 91.5 | Very high | 189 Ų | 189 | 65.9 Ų | 65.9 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.2 | -41.1 | 179.2 | -66.7 | -174.1 | -178.5 | -179.6 | 0 | 112.6 | R162 | K158-R162 WeakPolarHBondContact O-CB 3.28Å; K158-R162 PolarHBondContact O-N 2.65Å |
| 159 | R | 92.6 | Very high | 91.4 | Very high | 103 Ų | 103 | 72.7 Ų | 72.7 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 178.5 | -170.1 | -170.8 | -178.9 | -177.7 | -0.7 | 110.6 | S152 M153 G157 Q161 R162 V163 | S152-R159 WeakPolarHBondContact O-CB 3.4Å; S152-R159 WeakPolarHBondContact OG-CD 3.45Å; S152-R159 PolarHBondContact OG-NH1 2.81Å; M153-R159 HydrophobicContact SD-CB 4.23Å; M153-R159 HydrophobicContact SD-CG 3.73Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 3.17Å; R159-Q161 PolarHBondContact O-N 3.19Å; R159-R162 PolarHBondContact O-N 2.86Å; R159-V163 WeakPolarHBondContact O-CG2 3.25Å; R159-V163 PolarHBondContact O-N 3.48Å |
| 160 | Y | 94.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.5 | -52.1 | 173 | 171.4 | -92.9 | 0 | 0 | 0 | 112.1 | L76 L81 M153 A154 G157 R162 V163 L164 | L76-Y160 HydrophobicContact CB-CE2 4.02Å; L76-Y160 HydrophobicContact CD2-CD2 4.31Å; L76-Y160 HydrophobicContact CD2-CE2 4.23Å; L76-Y160 WeakPolarHBondContact O-CE2 3.4Å; L76-Y160 PolarHBondContact O-OH 2.82Å; L81-Y160 HydrophobicContact CD1-CD2 4.48Å; L81-Y160 HydrophobicContact CD1-CE2 3.86Å; M153-Y160 HydrophobicContact CE-CD2 4.33Å; A154-Y160 WeakPolarHBondContact O-CB 3.44Å; G157-Y160 WeakPolarHBondContact O-CB 3.32Å; G157-Y160 PolarHBondContact O-N 2.84Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 3.41Å; Y160-V163 PolarHBondContact O-N 2.97Å; Y160-L164 HydrophobicContact CE1-CD2 3.9Å; Y160-L164 VanDerWaalsContact O-CB 3.31Å; Y160-L164 WeakPolarHBondContact O-CB 3.43Å; Y160-L164 PolarHBondContact O-N 3.05Å |
| 161 | Q | 93.5 | Very high | 91.4 | Very high | 110 Ų | 110 | 73.9 Ų | 73.9 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 179.6 | -72.5 | -177.1 | -15.5 | 0 | 0 | 112.6 | G157 R159 L164 S165 | G157-Q161 WeakPolarHBondContact O-CG 3.27Å; G157-Q161 PolarHBondContact O-N 3.32Å; R159-Q161 PolarHBondContact O-N 3.19Å; Q161-L164 PolarHBondContact O-N 3.09Å; Q161-S165 WeakPolarHBondContact O-CB 3.33Å; Q161-S165 PolarHBondContact O-N 3.04Å |
| 162 | R | 93.8 | Very high | 91.6 | Very high | 153 Ų | 153 | 67.9 Ų | 67.9 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -48.5 | 175.8 | 179.5 | 178.2 | 175 | 178.1 | -1.6 | 111.3 | G126 K158 R159 Y160 S166 | G126-R162 PolarHBondContact O-NH2 3.08Å; K158-R162 WeakPolarHBondContact O-CB 3.28Å; K158-R162 PolarHBondContact O-N 2.65Å; R159-R162 PolarHBondContact O-N 2.86Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 3.41Å; R162-S166 WeakPolarHBondContact O-CB 3.49Å; R162-S166 PolarHBondContact O-N 2.83Å; R162-S166 PolarHBondContact O-OG 2.96Å |
| 163 | V | 94.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | L76 V127 I146 M153 R159 Y160 S166 L167 | L76-V163 HydrophobicContact CD2-CB 4.25Å; L76-V163 HydrophobicContact CD2-CG1 3.66Å; V127-V163 HydrophobicContact CG1-CG2 4.43Å; I146-V163 HydrophobicContact CD1-CG1 3.77Å; I146-V163 HydrophobicContact CG2-CG1 4.48Å; M153-V163 HydrophobicContact CE-CB 4.12Å; M153-V163 HydrophobicContact CE-CG1 4.26Å; M153-V163 HydrophobicContact CE-CG2 4.18Å; M153-V163 HydrophobicContact SD-CG2 4.19Å; R159-V163 WeakPolarHBondContact O-CG2 3.25Å; R159-V163 PolarHBondContact O-N 3.48Å; Y160-V163 PolarHBondContact O-N 2.97Å; V163-S166 WeakPolarHBondContact O-CB 3.15Å; V163-S166 PolarHBondContact O-N 3.4Å; V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 PolarHBondContact O-N 3.3Å |
| 164 | L | 95.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -49.3 | 178.1 | -178.9 | 63.8 | 0 | 0 | 0 | 112 | L76 Y160 Q161 S166 L167 K168 | L76-L164 HydrophobicContact CB-CD1 4.19Å; Y160-L164 HydrophobicContact CE1-CD2 3.9Å; Y160-L164 VanDerWaalsContact O-CB 3.31Å; Y160-L164 WeakPolarHBondContact O-CB 3.43Å; Y160-L164 PolarHBondContact O-N 3.05Å; Q161-L164 PolarHBondContact O-N 3.09Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.27Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-K168 WeakPolarHBondContact O-CB 3.16Å; L164-K168 PolarHBondContact O-N 3.3Å |
| 165 | S | 93.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 70.5 Ų | 70.5 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | Q161 L167 K168 E169 R170 | Q161-S165 WeakPolarHBondContact O-CB 3.33Å; Q161-S165 PolarHBondContact O-N 3.04Å; S165-L167 PolarHBondContact O-N 2.91Å; S165-K168 PolarHBondContact O-N 3.01Å; S165-E169 WeakPolarHBondContact CB-OE2 3.3Å; S165-E169 WeakPolarHBondContact O-CA 3.38Å; S165-E169 WeakPolarHBondContact O-CB 3.37Å; S165-E169 PolarHBondContact O-N 2.68Å; S165-E169 PolarHBondContact OG-OE2 2.81Å; S165-R170 PolarHBondContact O-N 2.9Å |
| 166 | S | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -62.3 | -45.5 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 112 | L125 R162 V163 L164 R170 V171 | L125-S166 WeakPolarHBondContact O-CB 2.94Å; L125-S166 PolarHBondContact O-OG 2.64Å; R162-S166 WeakPolarHBondContact O-CB 3.49Å; R162-S166 PolarHBondContact O-N 2.83Å; R162-S166 PolarHBondContact O-OG 2.96Å; V163-S166 WeakPolarHBondContact O-CB 3.15Å; V163-S166 PolarHBondContact O-N 3.4Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.27Å; S166-R170 WeakPolarHBondContact O-CB 3.28Å; S166-V171 PolarHBondContact O-N 3.48Å |
| 167 | L | 94.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -82.5 | -16.8 | -178.7 | -68.7 | 171.2 | 0 | 0 | 0 | 114.5 | V72 L76 L115 L125 V163 L164 S165 V171 P172 L173 | V72-L167 HydrophobicContact CB-CD2 4.42Å; V72-L167 HydrophobicContact CG1-CD1 4.12Å; V72-L167 HydrophobicContact CG1-CD2 4.25Å; L76-L167 HydrophobicContact CD1-CD1 3.68Å; L115-L167 HydrophobicContact CD1-CD2 4.04Å; L125-L167 HydrophobicContact CD2-CD2 3.73Å; V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 PolarHBondContact O-N 3.3Å; L164-L167 PolarHBondContact O-N 3.4Å; S165-L167 PolarHBondContact O-N 2.91Å; L167-V171 CarbonylContact C-O 3.6Å; L167-P172 WeakPolarHBondContact O-CA 3.41Å; L167-L173 HydrophobicContact CD2-CD1 4.15Å |
| 168 | K | 93.8 | Very high | 94.1 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -105.1 | -39.6 | -176.6 | -171.1 | 174.9 | -178.7 | 178.6 | 0 | 113.2 | Y73 L164 S165 | Y73-K168 HydrophobicContact CD1-CB 3.95Å; Y73-K168 HydrophobicContact CD1-CG 3.93Å; Y73-K168 HydrophobicContact CD2-CD 4.23Å; Y73-K168 HydrophobicContact CD2-CG 4.33Å; Y73-K168 HydrophobicContact CE1-CG 4.1Å; Y73-K168 HydrophobicContact CE2-CD 4.45Å; Y73-K168 HydrophobicContact CG-CB 3.98Å; Y73-K168 HydrophobicContact CG-CD 4.42Å; Y73-K168 HydrophobicContact CG-CG 4.07Å; L164-K168 WeakPolarHBondContact O-CB 3.16Å; L164-K168 PolarHBondContact O-N 3.3Å; S165-K168 PolarHBondContact O-N 3.01Å |
| 169 | E | 91.9 | Very high | 94.3 | Very high | 145 Ų | 145 | 55.3 Ų | 55.3 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -108.7 | -40.8 | -170.6 | -59.7 | 168.8 | 174.5 | 0 | 0 | 112.2 | S165 | S165-E169 WeakPolarHBondContact CB-OE2 3.3Å; S165-E169 WeakPolarHBondContact O-CA 3.38Å; S165-E169 WeakPolarHBondContact O-CB 3.37Å; S165-E169 PolarHBondContact O-N 2.68Å; S165-E169 PolarHBondContact OG-OE2 2.81Å |
| 170 | R | 90.8 | Very high | 94.4 | Very high | 149 Ų | 149 | 50.5 Ų | 50.5 | 56% | 0.562 | 24% | 0.235 | S | C | * | . | I | π-helix | trans | -82.4 | -61.1 | -177.3 | -58.1 | -176.6 | -179.3 | -163.7 | -4.3 | 111.7 | S165 S166 | S165-R170 PolarHBondContact O-N 2.9Å; S166-R170 WeakPolarHBondContact O-CB 3.28Å |
| 171 | V | 92 | Very high | 94.3 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | trans | -127.4 | 90.1 | -178.4 | -169.2 | 0 | 0 | 0 | 0 | 107.9 | T121 Q124 L125 S166 L167 L173 | T121-V171 HydrophobicContact CG2-CG1 4.21Å; Q124-V171 HydrophobicContact CB-CG2 3.4Å; L125-V171 HydrophobicContact CD2-CB 3.91Å; L125-V171 HydrophobicContact CD2-CG2 4.29Å; L125-V171 HydrophobicContact CG-CB 4.28Å; L125-V171 HydrophobicContact CG-CG2 4.26Å; S166-V171 PolarHBondContact O-N 3.48Å; L167-V171 CarbonylContact C-O 3.6Å; V171-L173 HydrophobicContact CG1-CD2 3.74Å; V171-L173 HydrophobicContact CG1-CG 3.85Å; V171-L173 PolarHBondContact O-N 2.81Å | ||
| 172 | P | 90.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 48 Ų | 48 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | -74 | 74.2 | 178.9 | 31.9 | -34.2 | 0 | 0 | 0 | 109.9 | L167 K174 | L167-P172 WeakPolarHBondContact O-CA 3.41Å; P172-K174 PolarHBondContact O-N 2.99Å | ||
| 173 | L | 93.5 | Very high | 92.6 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | trans | -61 | 128.9 | 177.5 | -70.2 | 178.3 | 0 | 0 | 0 | 109.6 | P71 V72 I105 V117 T121 L125 L167 V171 | P71-L173 WeakPolarHBondContact CA-O 3.28Å; V72-L173 HydrophobicContact CB-CB 4.37Å; V72-L173 HydrophobicContact CG2-CB 3.64Å; V72-L173 WeakPolarHBondContact CG2-O 2.97Å; V72-L173 PolarHBondContact N-O 3.17Å; I105-L173 HydrophobicContact CD1-CB 4.45Å; I105-L173 HydrophobicContact CD1-CD1 4.43Å; V117-L173 HydrophobicContact CG1-CD1 4.42Å; T121-L173 HydrophobicContact CG2-CD1 4.27Å; T121-L173 HydrophobicContact CG2-CD2 3.84Å; L125-L173 HydrophobicContact CD1-CD1 4.23Å; L125-L173 HydrophobicContact CD2-CD1 4.29Å; L167-L173 HydrophobicContact CD2-CD1 4.15Å; V171-L173 HydrophobicContact CG1-CD2 3.74Å; V171-L173 HydrophobicContact CG1-CG 3.85Å; V171-L173 PolarHBondContact O-N 2.81Å | ||
| 174 | K | 95.3 | Very high | 91.1 | Very high | 113 Ų | 113 | 50.1 Ų | 50.1 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.4 | 176.4 | -58.7 | -177.4 | -172.7 | -177.6 | 0 | 108.8 | N69 L70 P71 P172 | N69-K174 WeakPolarHBondContact OD1-CB 3.48Å; N69-K174 WeakPolarHBondContact OD1-CD 3.3Å; L70-K174 WeakPolarHBondContact O-CA 3.36Å; P71-K174 HydrophobicContact CB-CG 4.09Å; P71-K174 HydrophobicContact CG-CD 4.21Å; P71-K174 HydrophobicContact CG-CG 4.05Å; P172-K174 PolarHBondContact O-N 2.99Å |
| 175 | S | 96.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 162 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | N69 L70 S94 F177 | N69-S175 PolarHBondContact N-O 3.37Å; L70-S175 PolarHBondContact N-O 3.27Å; L70-S175 PolarHBondContact O-N 2.84Å; S94-S175 WeakPolarHBondContact CB-OG 3.33Å; S175-F177 VanDerWaalsContact O-CD2 3.3Å; S175-F177 WeakPolarHBondContact O-CD2 3.4Å |
| 176 | D | 97.8 | Very high | 89.6 | Confident | 58 Ų | 58 | 52 Ų | 52 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 139.8 | 157.7 | -63.3 | -11.2 | 0 | 0 | 0 | 107.9 | L66 V67 N68 N69 S94 Y95 | L66-D176 HydrophobicContact CD1-CB 4.29Å; V67-D176 CarbonylContact O-C 3.59Å; V67-D176 VanDerWaalsContact O-CA 3.28Å; V67-D176 WeakPolarHBondContact O-CA 3.11Å; N68-D176 WeakPolarHBondContact CA-OD1 3.38Å; N69-D176 PolarHBondContact N-OD1 3.35Å; S94-D176 CarbonylContact C-O 3.1Å; S94-D176 WeakPolarHBondContact CA-O 3.38Å; Y95-D176 PolarHBondContact N-O 2.66Å |
| 177 | F | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.7 | -178.4 | -79.2 | -89.1 | 0 | 0 | 0 | 111.8 | L66 V67 L70 V72 F75 A92 L93 I105 S175 L179 | L66-F177 CarbonylContact C-O 3.58Å; L66-F177 WeakPolarHBondContact CA-O 3.34Å; V67-F177 PolarHBondContact N-O 3.36Å; V67-F177 PolarHBondContact O-N 3.5Å; L70-F177 HydrophobicContact CB-CD2 3.91Å; L70-F177 HydrophobicContact CB-CE2 4.46Å; L70-F177 HydrophobicContact CD2-CB 4.39Å; L70-F177 HydrophobicContact CD2-CD2 3.97Å; L70-F177 HydrophobicContact CD2-CG 4.35Å; L70-F177 HydrophobicContact CG-CD2 4.24Å; V72-F177 HydrophobicContact CG2-CZ 4.33Å; F75-F177 HydrophobicContact CE2-CD1 4.35Å; F75-F177 AromaticContact CE2-CE1 3.9Å; F75-F177 HydrophobicContact CE2-CE1 3.9Å; F75-F177 HydrophobicContact CE2-CE2 4.27Å; F75-F177 AromaticContact CE2-CZ 3.85Å; F75-F177 HydrophobicContact CE2-CZ 3.85Å; F75-F177 HydrophobicContact CZ-CD1 4.12Å; F75-F177 HydrophobicContact CZ-CE1 4.15Å; F75-F177 HydrophobicContact CZ-CG 4.31Å; F75-F177 HydrophobicContact CZ-CZ 4.34Å; A92-F177 HydrophobicContact CB-CD1 4.13Å; L93-F177 CarbonylContact O-C 3.47Å; L93-F177 WeakPolarHBondContact O-CA 3.46Å; I105-F177 HydrophobicContact CB-CE1 3.88Å; I105-F177 HydrophobicContact CB-CZ 3.87Å; I105-F177 HydrophobicContact CD1-CZ 4.26Å; I105-F177 HydrophobicContact CG2-CE1 3.74Å; I105-F177 HydrophobicContact CG2-CZ 3.73Å; S175-F177 VanDerWaalsContact O-CD2 3.3Å; S175-F177 WeakPolarHBondContact O-CD2 3.4Å; F177-L179 HydrophobicContact CB-CD2 3.87Å; F177-L179 HydrophobicContact CB-CG 4.33Å |
| 178 | L | 97.8 | Very high | 88.6 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.3 | 158.7 | -61.9 | 175.4 | 0 | 0 | 0 | 108.2 | Y64 F65 L66 A92 L93 Y95 L282 F315 | Y64-L178 HydrophobicContact CD2-CD2 4.13Å; Y64-L178 HydrophobicContact CE2-CD2 4.07Å; F65-L178 CarbonylContact O-C 3.59Å; F65-L178 WeakPolarHBondContact O-CA 3.36Å; L66-L178 HydrophobicContact CB-CD2 4.37Å; L66-L178 HydrophobicContact CD1-CD2 4.04Å; A92-L178 WeakPolarHBondContact CA-O 3.43Å; L93-L178 PolarHBondContact N-O 3.3Å; L93-L178 PolarHBondContact O-N 2.94Å; Y95-L178 HydrophobicContact CD2-CD1 3.74Å; Y95-L178 HydrophobicContact CD2-CD2 4.15Å; Y95-L178 HydrophobicContact CD2-CG 3.88Å; Y95-L178 HydrophobicContact CE2-CD1 4.33Å; Y95-L178 HydrophobicContact CG-CD2 4.36Å; Y95-L178 HydrophobicContact CG-CG 4.18Å; L178-L282 HydrophobicContact CB-CD2 4.03Å; L178-F315 HydrophobicContact CD1-CE1 3.8Å; L178-F315 HydrophobicContact CD1-CZ 3.81Å |
| 179 | L | 96.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.5 | 176.8 | -55 | -174.9 | 0 | 0 | 0 | 109.8 | Y64 F65 V67 F75 Y91 A92 F177 L192 | Y64-L179 CarbonylContact C-O 3.59Å; Y64-L179 VanDerWaalsContact CA-O 3.27Å; Y64-L179 WeakPolarHBondContact CA-O 3.39Å; Y64-L179 WeakPolarHBondContact CB-O 3.35Å; F65-L179 HydrophobicContact CB-CB 4.4Å; F65-L179 PolarHBondContact N-O 3.02Å; F65-L179 PolarHBondContact O-N 2.88Å; V67-L179 HydrophobicContact CG2-CD1 3.56Å; V67-L179 HydrophobicContact CG2-CG 4.05Å; F75-L179 HydrophobicContact CE1-CD2 4.27Å; F75-L179 HydrophobicContact CZ-CD2 4.27Å; Y91-L179 CarbonylContact O-C 3.54Å; Y91-L179 WeakPolarHBondContact O-CA 3.4Å; A92-L179 HydrophobicContact CB-CD2 3.39Å; F177-L179 HydrophobicContact CB-CD2 3.87Å; F177-L179 HydrophobicContact CB-CG 4.33Å; L179-L192 HydrophobicContact CD1-CD1 4.19Å |
| 180 | G | 94.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y91 | Y91-G180 PolarHBondContact N-O 2.8Å; Y91-G180 PolarHBondContact O-N 2.91Å |
| 181 | R | 90.7 | Very high | 88 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 130 | 178.9 | -162.5 | -170.1 | 174.9 | 174.8 | 3.7 | 111.6 | N83 D87 A89 L90 G188 D189 L284 | N83-R181 PolarHBondContact O-NH2 2.67Å; D87-R181 IonicContact OD2-NH2 2.68Å; D87-R181 PolarHBondContact OD2-NH2 3.19Å; A89-R181 HydrophobicContact CB-CG 4.22Å; A89-R181 CarbonylContact O-C 3.52Å; A89-R181 WeakPolarHBondContact O-CA 3.22Å; A89-R181 WeakPolarHBondContact O-CG 3.34Å; L90-R181 HydrophobicContact CD1-CB 4.37Å; R181-G188 PolarHBondContact NH1-O 3.24Å; R181-G188 VanDerWaalsContact NH1-O 3.09Å; R181-D189 IonicContact NH1-OD1 3.71Å; R181-L284 VanDerWaalsContact C-CD1 3.47Å |
| 182 | H | 85.1 | Confident | 87.9 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 21% | 0.213 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -95.2 | 150.5 | 169.8 | -167.9 | 64.7 | 0 | 0 | 0 | 109.5 | A89 L284 E286 | A89-H182 WeakPolarHBondContact CB-O 3.42Å; A89-H182 PolarHBondContact O-N 2.79Å; H182-L284 HydrophobicContact CB-CD1 3.99Å; H182-E286 HydrophobicContact CB-CG 4.42Å; H182-E286 VanDerWaalsContact CD2-CG 3.44Å; H182-E286 WeakPolarHBondContact CD2-CG 3.33Å; H182-E286 IonicContact CD2-OE1 3.92Å; H182-E286 WeakPolarHBondContact CE1-CB 3.42Å; H182-E286 IonicContact CG-OE1 2.72Å; H182-E286 IonicContact CG-OE2 3.35Å |
| 183 | N | 68.1 | Low | 88 | Confident | 111 Ų | 111 | 49.4 Ų | 49.4 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 54 | 90.6 | -179.3 | -63.6 | -32.8 | 0 | 0 | 0 | 115.7 | G185 | N183-G185 PolarHBondContact O-N 2.92Š|
| 184 | S | 62.5 | Low | 88 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | trans | -84.2 | 91.3 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | D189 | S184-D189 VanDerWaalsContact CB-OD1 3.23Å; S184-D189 WeakPolarHBondContact CB-OD1 2.9Å; S184-D189 WeakPolarHBondContact CB-OD2 3.18Å | ||
| 185 | G | 75.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 46 Ų | 46 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | trans | -77 | 142 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111 | N183 D187 G188 D189 | N183-G185 PolarHBondContact O-N 2.92Å; G185-D187 VanDerWaalsContact C-N 3.26Å; G185-D187 PolarHBondContact O-N 3.37Å; G185-D187 VanDerWaalsContact O-N 3.15Å; G185-G188 PolarHBondContact O-N 3.44Å; G185-D189 PolarHBondContact O-N 2.75Å | ||
| 186 | A | 82.6 | Confident | 87.7 | Confident | 78 Ų | 78 | 45.4 Ų | 45.4 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.1 | -37.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R190 | A186-R190 PolarHBondContact O-N 3.33Å; A186-R190 VanDerWaalsContact O-N 3.14Å |
| 187 | D | 83.8 | Confident | 87.6 | Confident | 95 Ų | 95 | 47 Ų | 47 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 179 | -70.1 | -32.6 | 0 | 0 | 0 | 112 | G185 R190 A191 | G185-D187 VanDerWaalsContact C-N 3.26Å; G185-D187 PolarHBondContact O-N 3.37Å; G185-D187 VanDerWaalsContact O-N 3.15Å; D187-R190 WeakPolarHBondContact O-CB 3.24Å; D187-R190 PolarHBondContact O-N 2.58Å; D187-A191 PolarHBondContact O-N 3.04Å |
| 188 | G | 84 | Confident | 87.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N83 R181 G185 R190 A191 L192 | N83-G188 WeakPolarHBondContact O-CA 3.38Å; R181-G188 PolarHBondContact NH1-O 3.24Å; R181-G188 VanDerWaalsContact NH1-O 3.09Å; G185-G188 PolarHBondContact O-N 3.44Å; G188-R190 VanDerWaalsContact C-N 3.26Å; G188-R190 PolarHBondContact O-N 3.24Å; G188-A191 PolarHBondContact O-N 3.06Å; G188-L192 PolarHBondContact O-N 3.31Å |
| 189 | D | 86.3 | Confident | 87.4 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.7 | -72.7 | -10 | 0 | 0 | 0 | 110.6 | R181 S184 G185 L192 Q193 | R181-D189 IonicContact NH1-OD1 3.71Å; S184-D189 VanDerWaalsContact CB-OD1 3.23Å; S184-D189 WeakPolarHBondContact CB-OD1 2.9Å; S184-D189 WeakPolarHBondContact CB-OD2 3.18Å; G185-D189 PolarHBondContact O-N 2.75Å; D189-L192 PolarHBondContact O-N 3.38Å; D189-Q193 WeakPolarHBondContact O-CB 3Å; D189-Q193 WeakPolarHBondContact O-CG 3.31Å; D189-Q193 PolarHBondContact O-N 3.47Å |
| 190 | R | 88.8 | Confident | 87.4 | Confident | 172 Ų | 172 | 61.7 Ų | 61.7 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 173.8 | -173.9 | -172 | -61.3 | 166.4 | 5.4 | 111.8 | A186 D187 G188 Q193 S194 | A186-R190 PolarHBondContact O-N 3.33Å; A186-R190 VanDerWaalsContact O-N 3.14Å; D187-R190 WeakPolarHBondContact O-CB 3.24Å; D187-R190 PolarHBondContact O-N 2.58Å; G188-R190 VanDerWaalsContact C-N 3.26Å; G188-R190 PolarHBondContact O-N 3.24Å; R190-Q193 PolarHBondContact O-N 3Å; R190-S194 WeakPolarHBondContact O-CB 3.18Å; R190-S194 PolarHBondContact O-N 2.99Å |
| 191 | A | 88.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N83 V84 D187 G188 S194 L195 | N83-A191 HydrophobicContact CB-CB 3.93Å; V84-A191 HydrophobicContact CG2-CB 3.66Å; D187-A191 PolarHBondContact O-N 3.04Å; G188-A191 PolarHBondContact O-N 3.06Å; A191-S194 WeakPolarHBondContact O-CB 3.07Å; A191-S194 PolarHBondContact O-N 3.4Å; A191-L195 PolarHBondContact O-N 3.12Å |
| 192 | L | 90.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 174.4 | -178.1 | 60.9 | 0 | 0 | 0 | 111.3 | F65 F80 L179 G188 D189 S194 L195 L196 | F65-L192 HydrophobicContact CD2-CD2 4.36Å; F65-L192 HydrophobicContact CE2-CD2 4.04Å; F80-L192 HydrophobicContact CE2-CD1 4.28Å; L179-L192 HydrophobicContact CD1-CD1 4.19Å; G188-L192 PolarHBondContact O-N 3.31Å; D189-L192 PolarHBondContact O-N 3.38Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 2.93Å; L192-L195 WeakPolarHBondContact O-CB 2.93Å; L192-L195 PolarHBondContact O-N 2.8Å; L192-L195 VanDerWaalsContact O-N 3.15Å; L192-L196 HydrophobicContact CD1-CD1 4.5Å; L192-L196 HydrophobicContact CD1-CG 4.31Å; L192-L196 HydrophobicContact CG-CD1 4.1Å; L192-L196 HydrophobicContact CG-CG 4.33Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.44Å |
| 193 | Q | 91.6 | Very high | 88.5 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 176 | -72.6 | -62 | -31.7 | 0 | 0 | 112.2 | D189 R190 L196 S197 | D189-Q193 WeakPolarHBondContact O-CB 3Å; D189-Q193 WeakPolarHBondContact O-CG 3.31Å; D189-Q193 PolarHBondContact O-N 3.47Å; R190-Q193 PolarHBondContact O-N 3Å; Q193-L196 PolarHBondContact O-N 2.86Å; Q193-S197 WeakPolarHBondContact O-CB 3.21Å; Q193-S197 PolarHBondContact O-N 3.4Å |
| 194 | S | 93.1 | Very high | 89.8 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | R190 A191 L192 S197 R198 | R190-S194 WeakPolarHBondContact O-CB 3.18Å; R190-S194 PolarHBondContact O-N 2.99Å; A191-S194 WeakPolarHBondContact O-CB 3.07Å; A191-S194 PolarHBondContact O-N 3.4Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 2.93Å; S194-S197 PolarHBondContact O-OG 3.29Å; S194-R198 PolarHBondContact O-NE 3Å |
| 195 | L | 93 | Very high | 91.5 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -53.8 | 172.5 | -179.4 | 66.2 | 0 | 0 | 0 | 111.5 | L70 E74 F80 A191 L192 S197 R198 Y199 | L70-L195 HydrophobicContact CD1-CD1 3.87Å; L70-L195 HydrophobicContact CD1-CD2 4.49Å; L70-L195 HydrophobicContact CD1-CG 4.38Å; L70-L195 HydrophobicContact CD2-CD2 4.42Å; E74-L195 HydrophobicContact CB-CD1 3.75Å; E74-L195 HydrophobicContact CG-CD1 4.07Å; F80-L195 HydrophobicContact CD2-CB 4.43Å; F80-L195 HydrophobicContact CD2-CD2 4.22Å; F80-L195 HydrophobicContact CE2-CB 4.32Å; F80-L195 HydrophobicContact CE2-CD2 3.59Å; F80-L195 HydrophobicContact CZ-CD2 3.95Å; A191-L195 PolarHBondContact O-N 3.12Å; L192-L195 WeakPolarHBondContact O-CB 2.93Å; L192-L195 PolarHBondContact O-N 2.8Å; L192-L195 VanDerWaalsContact O-N 3.15Å; L195-S197 VanDerWaalsContact C-N 3.27Å; L195-S197 PolarHBondContact O-N 3.21Å; L195-R198 VanDerWaalsContact CD1-NH2 3.31Å; L195-R198 PolarHBondContact O-N 3.48Å; L195-R198 VanDerWaalsContact O-N 3.13Å; L195-Y199 HydrophobicContact CD1-CD2 4.35Å; L195-Y199 HydrophobicContact CD1-CE2 4.06Å; L195-Y199 WeakPolarHBondContact O-CD2 3.13Å |
| 196 | L | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -36.8 | -177.1 | -68.5 | 178.7 | 0 | 0 | 0 | 112.4 | F65 V67 L192 Q193 R198 Y199 W201 | F65-L196 HydrophobicContact CB-CD2 4.48Å; F65-L196 HydrophobicContact CD1-CD1 4.16Å; F65-L196 HydrophobicContact CE1-CD1 4.36Å; F65-L196 HydrophobicContact CG-CD1 4.25Å; V67-L196 HydrophobicContact CG2-CD2 3.33Å; L192-L196 HydrophobicContact CD1-CD1 4.5Å; L192-L196 HydrophobicContact CD1-CG 4.31Å; L192-L196 HydrophobicContact CG-CD1 4.1Å; L192-L196 HydrophobicContact CG-CG 4.33Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.44Å; Q193-L196 PolarHBondContact O-N 2.86Å; L196-R198 PolarHBondContact O-N 3.09Å; L196-R198 VanDerWaalsContact O-N 3.08Å; L196-Y199 PolarHBondContact O-N 3.47Å; L196-Y199 VanDerWaalsContact O-N 3.13Å; L196-W201 HydrophobicContact CB-CD2 4.35Å; L196-W201 HydrophobicContact CB-CG 4.13Å; L196-W201 HydrophobicContact CD1-CD2 4.34Å; L196-W201 HydrophobicContact CD2-CB 3.97Å; L196-W201 HydrophobicContact CD2-CD2 4.38Å; L196-W201 HydrophobicContact CD2-CG 3.93Å; L196-W201 HydrophobicContact CG-CG 4.47Å; L196-W201 PolarHBondContact O-NE1 2.94Å |
| 197 | S | 95.1 | Very high | 93.2 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.5 | -21 | 179.5 | 74.7 | 0 | 0 | 0 | 0 | 114.5 | Q193 S194 L195 | Q193-S197 WeakPolarHBondContact O-CB 3.21Å; Q193-S197 PolarHBondContact O-N 3.4Å; S194-S197 PolarHBondContact O-OG 3.29Å; L195-S197 VanDerWaalsContact C-N 3.27Å; L195-S197 PolarHBondContact O-N 3.21Å |
| 198 | R | 95.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.6 | -178 | -64.5 | -177.1 | -74.4 | 156.3 | -0.1 | 113.3 | E74 S194 L195 L196 | E74-R198 VanDerWaalsContact CD-NH1 3.31Å; E74-R198 IonicContact OE1-CZ 2.72Å; E74-R198 IonicContact OE1-NH1 3.89Å; E74-R198 PolarHBondContact OE1-NH1 3.47Å; E74-R198 VanDerWaalsContact OE1-NH1 3.08Å; E74-R198 IonicContact OE1-NH2 2.8Å; E74-R198 IonicContact OE2-CZ 3.94Å; E74-R198 IonicContact OE2-NH1 3.9Å; E74-R198 PolarHBondContact OE2-NH1 2.77Å; E74-R198 IonicContact OE2-NH2 3.24Å; E74-R198 PolarHBondContact OE2-NH2 2.85Å; S194-R198 PolarHBondContact O-NE 3Å; L195-R198 VanDerWaalsContact CD1-NH2 3.31Å; L195-R198 PolarHBondContact O-N 3.48Å; L195-R198 VanDerWaalsContact O-N 3.13Å; L196-R198 PolarHBondContact O-N 3.09Å; L196-R198 VanDerWaalsContact O-N 3.08Å |
| 199 | Y | 96.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 74.4 Ų | 74.4 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -134.3 | 165 | -172.3 | -63.4 | -80.3 | 0 | 0 | 0 | 111.7 | V67 L70 P71 E74 L195 L196 | V67-Y199 HydrophobicContact CG1-CG 4.39Å; L70-Y199 HydrophobicContact CD1-CD2 3.79Å; L70-Y199 HydrophobicContact CD1-CE1 4.48Å; L70-Y199 HydrophobicContact CD1-CE2 3.65Å; L70-Y199 HydrophobicContact CD1-CG 4.3Å; P71-Y199 VanDerWaalsContact CD-CE1 3.46Å; P71-Y199 VanDerWaalsContact CD-CZ 3.49Å; P71-Y199 VanDerWaalsContact CD-OH 3.28Å; P71-Y199 WeakPolarHBondContact CD-OH 3.36Å; P71-Y199 HydrophobicContact CG-CE1 4.24Å; E74-Y199 HydrophobicContact CG-CE2 4.14Å; E74-Y199 PolarHBondContact OE1-OH 3.32Å; L195-Y199 HydrophobicContact CD1-CD2 4.35Å; L195-Y199 HydrophobicContact CD1-CE2 4.06Å; L195-Y199 WeakPolarHBondContact O-CD2 3.13Å; L196-Y199 PolarHBondContact O-N 3.47Å; L196-Y199 VanDerWaalsContact O-N 3.13Å |
| 200 | Q | 96.6 | Very high | 94.7 | Very high | 148 Ų | 148 | 74.5 Ų | 74.5 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | trans | -78.2 | 128.8 | 169.3 | -69.9 | -176.2 | -2.3 | 0 | 0 | 109 | N68 | N68-Q200 HydrophobicContact CB-CB 4.41Å; N68-Q200 PolarHBondContact N-O 3.38Å | ||
| 201 | W | 97.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 39% | 0.386 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.9 | 179.5 | 64.4 | -87.5 | 0 | 0 | 0 | 112.3 | F65 L66 V67 L196 E203 | F65-W201 AromaticContact CD1-CE3 3.83Å; F65-W201 HydrophobicContact CD1-CE3 3.83Å; F65-W201 AromaticContact CD1-CZ3 3.89Å; F65-W201 HydrophobicContact CD1-CZ3 3.89Å; F65-W201 HydrophobicContact CE1-CE3 4.45Å; F65-W201 HydrophobicContact CE1-CZ3 4.07Å; L66-W201 CarbonylContact O-C 3.52Å; L66-W201 WeakPolarHBondContact O-CA 3.44Å; L66-W201 WeakPolarHBondContact O-CB 3.41Å; V67-W201 HydrophobicContact CB-CB 4.48Å; V67-W201 HydrophobicContact CG1-CB 4.47Å; V67-W201 HydrophobicContact CG2-CB 4.08Å; L196-W201 HydrophobicContact CB-CD2 4.35Å; L196-W201 HydrophobicContact CB-CG 4.13Å; L196-W201 HydrophobicContact CD1-CD2 4.34Å; L196-W201 HydrophobicContact CD2-CB 3.97Å; L196-W201 HydrophobicContact CD2-CD2 4.38Å; L196-W201 HydrophobicContact CD2-CG 3.93Å; L196-W201 HydrophobicContact CG-CG 4.47Å; L196-W201 PolarHBondContact O-NE1 2.94Å; W201-E203 HydrophobicContact CZ3-CB 3.9Å |
| 202 | K | 97.4 | Very high | 95.2 | Very high | 128 Ų | 128 | 72.8 Ų | 72.8 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.8 | 173.9 | -174.8 | 172.4 | 172.7 | -179.2 | 0 | 110.3 | F65 L66 H204 | F65-K202 CarbonylContact C-O 3.54Å; F65-K202 WeakPolarHBondContact CA-O 3.4Å; L66-K202 PolarHBondContact N-O 3.12Å; L66-K202 PolarHBondContact O-N 3.31Å; K202-H204 WeakPolarHBondContact CD-NE2 3.29Å; K202-H204 WeakPolarHBondContact CG-NE2 3.24Å; K202-H204 PolarHBondContact O-CD2 2.88Å |
| 203 | E | 96.8 | Very high | 95.3 | Very high | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 137.6 | 169.2 | -180 | 179.2 | 108.8 | 0 | 0 | 110 | K63 F65 W201 | K63-E203 HydrophobicContact CB-CG 4.36Å; K63-E203 HydrophobicContact CD-CG 4.21Å; K63-E203 WeakPolarHBondContact CD-OE1 3.15Å; K63-E203 VanDerWaalsContact CE-OE1 3.31Å; K63-E203 WeakPolarHBondContact CE-OE1 3.22Å; K63-E203 IonicContact NZ-OE1 3.78Å; K63-E203 PolarHBondContact NZ-OE1 2.8Å; K63-E203 IonicContact NZ-OE2 3.13Å; K63-E203 PolarHBondContact NZ-OE2 2.66Å; F65-E203 HydrophobicContact CD1-CB 3.95Å; F65-E203 HydrophobicContact CD1-CG 4.28Å; F65-E203 HydrophobicContact CE1-CB 3.92Å; F65-E203 HydrophobicContact CE1-CG 3.92Å; W201-E203 HydrophobicContact CZ3-CB 3.9Å |
| 204 | H | 96.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 77.1 Ų | 77.1 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.7 | 176.5 | -72.2 | -95.4 | 0 | 0 | 0 | 110.3 | Y64 K202 | Y64-H204 HydrophobicContact CD1-CB 4.24Å; Y64-H204 HydrophobicContact CD2-CB 3.87Å; Y64-H204 HydrophobicContact CE1-CB 3.79Å; Y64-H204 HydrophobicContact CE2-CB 3.38Å; Y64-H204 AromaticContact CE2-CG 3.94Å; Y64-H204 HydrophobicContact CG-CB 4.27Å; Y64-H204 PolarHBondContact N-O 2.78Å; Y64-H204 PolarHBondContact O-N 2.87Å; K202-H204 WeakPolarHBondContact CD-NE2 3.29Å; K202-H204 WeakPolarHBondContact CG-NE2 3.24Å; K202-H204 PolarHBondContact O-CD2 2.88Å |
| 205 | R | 96.4 | Very high | 95.3 | Very high | 161 Ų | 161 | 79.1 Ų | 79.1 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | trans | -111.3 | 149.1 | 165.6 | -78.6 | -175.9 | 167.3 | 173.8 | -3.2 | 109.1 | K63 V207 | K63-R205 HydrophobicContact CG-CG 4.03Å; R205-V207 PolarHBondContact O-N 2.89Å | ||
| 206 | P | 96.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 80 Ų | 80 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | trans | -53.2 | 138.2 | 170.4 | -27.4 | 36.9 | 0 | 0 | 0 | 111.7 | F61 Y64 V279 S280 L283 | F61-P206 HydrophobicContact CB-CG 4Å; Y64-P206 HydrophobicContact CE1-CG 4.44Å; P206-V279 HydrophobicContact CB-CG1 3.54Å; P206-S280 CarbonylContact C-O 3.51Å; P206-S280 WeakPolarHBondContact CA-O 3.1Å; P206-L283 HydrophobicContact CB-CD2 3.69Å; P206-L283 HydrophobicContact CG-CD2 3.72Å | ||
| 207 | V | 97.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 81.6 Ų | 81.6 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.4 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | R205 V279 S280 | R205-V207 PolarHBondContact O-N 2.89Å; V207-V279 CarbonylContact O-C 3.16Å; V207-V279 WeakPolarHBondContact O-CA 3.42Å; V207-S280 PolarHBondContact N-O 3.32Å; V207-S280 PolarHBondContact O-N 2.84Å |
| 208 | V | 96.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 35% | 0.352 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.8 | 180 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | I58 T278 V279 | I58-V208 HydrophobicContact CG2-CB 4.36Å; I58-V208 HydrophobicContact CG2-CG1 3.89Å; I58-V208 HydrophobicContact CG2-CG2 3.48Å; I58-V208 VanDerWaalsContact CG2-CG2 3.48Å; V208-T278 WeakPolarHBondContact CA-O 3.37Å; V208-V279 HydrophobicContact CG2-CG1 4.32Å; V208-V279 HydrophobicContact CG2-CG2 4.34Å |
| 209 | S | 95.4 | Very high | 95 | Very high | 57 Ų | 57 | 72 Ų | 72 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.7 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | C277 T278 | S209-C277 CarbonylContact O-C 3.57Å; S209-C277 WeakPolarHBondContact O-CA 3.26Å; S209-T278 PolarHBondContact N-O 2.97Å; S209-T278 PolarHBondContact O-N 2.87Å; S209-T278 PolarHBondContact O-OG1 3.23Å; S209-T278 PolarHBondContact OG-OG1 2.82Å |
| 210 | S | 94.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 44% | 0.441 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.3 | -178.7 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | L275 H276 | S210-L275 VanDerWaalsContact OG-CD1 3.26Å; S210-L275 WeakPolarHBondContact OG-CD1 3.47Å; S210-H276 WeakPolarHBondContact CA-O 3.15Å |
| 211 | H | 93.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.5 | 176.7 | 50 | -77.3 | 0 | 0 | 0 | 111 | H276 | H211-H276 AromaticContact CD2-ND1 3.92Å; H211-H276 AromaticContact CE1-CE1 3.63Å; H211-H276 AromaticContact CE1-CG 3.49Å; H211-H276 VanDerWaalsContact CE1-CG 3.49Å; H211-H276 AromaticContact CE1-ND1 2.94Å; H211-H276 PolarHBondContact CE1-ND1 3.25Å; H211-H276 PolarHBondContact N-O 2.84Å; H211-H276 PolarHBondContact ND1-O 2.84Å; H211-H276 WeakPolarHBondContact NE2-CB 3.47Å; H211-H276 AromaticContact NE2-CE1 3.72Å; H211-H276 AromaticContact NE2-CG 3.41Å; H211-H276 AromaticContact NE2-ND1 2.73Å; H211-H276 PolarHBondContact NE2-ND1 2.84Å; H211-H276 PolarHBondContact O-N 2.87Å |
| 212 | T | 94.8 | Very high | 94 | Very high | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.8 | 176.5 | -44.9 | 0 | 0 | 0 | 0 | 108.3 | G48 Q273 A274 | G48-T212 PolarHBondContact O-OG1 3Å; T212-Q273 HydrophobicContact CG2-CB 4.14Å; T212-Q273 HydrophobicContact CG2-CG 4.31Å; T212-A274 CarbonylContact C-O 3.54Å; T212-A274 WeakPolarHBondContact CA-O 3.41Å |
| 213 | L | 93.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.8 | 170.1 | -56.8 | 173.1 | 0 | 0 | 0 | 108.1 | L216 V245 Q273 A274 H276 | L213-L216 HydrophobicContact CD1-CD2 4.02Å; L213-V245 HydrophobicContact CD1-CG1 3.46Å; L213-V245 VanDerWaalsContact CD1-CG1 3.46Å; L213-Q273 CarbonylContact O-C 3.59Å; L213-Q273 VanDerWaalsContact O-CA 3.27Å; L213-Q273 WeakPolarHBondContact O-CA 3.23Å; L213-A274 HydrophobicContact CB-CB 4.29Å; L213-A274 PolarHBondContact N-O 2.85Å; L213-A274 PolarHBondContact O-N 2.8Å; L213-H276 HydrophobicContact CD1-CB 3.97Å; L213-H276 HydrophobicContact CG-CB 4.29Å |
| 214 | K | 92.7 | Very high | 92.8 | Very high | 158 Ų | 158 | 59 Ų | 59 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.7 | 178.4 | -64.4 | -176.1 | -178.4 | 179.6 | 0 | 109.8 | L216 S272 | K214-L216 VanDerWaalsContact C-N 3.25Å; K214-L216 PolarHBondContact O-N 3.45Å; K214-S272 WeakPolarHBondContact CA-O 3.48Å |
| 215 | D | 91.9 | Very high | 92 | Very high | 103 Ų | 103 | 57 Ų | 57 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.4 | 48.8 | 174.3 | -54.3 | -47.4 | 0 | 0 | 0 | 111.9 | P217 L270 V271 S272 | D215-P217 VanDerWaalsContact O-CD 3.27Å; D215-P217 WeakPolarHBondContact O-CD 3.34Å; D215-L270 HydrophobicContact CB-CD1 4.25Å; D215-L270 WeakPolarHBondContact O-CD1 3.44Å; D215-V271 CarbonylContact C-O 3.57Å; D215-V271 WeakPolarHBondContact CA-O 3.23Å; D215-V271 PolarHBondContact N-O 2.96Å; D215-S272 PolarHBondContact N-O 2.92Å |
| 216 | L | 91.5 | Very high | 91.2 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.4 | -176.4 | -177.4 | 67.3 | 0 | 0 | 0 | 109.6 | L213 K214 C218 W241 V245 V271 A274 | L213-L216 HydrophobicContact CD1-CD2 4.02Å; K214-L216 VanDerWaalsContact C-N 3.25Å; K214-L216 PolarHBondContact O-N 3.45Å; L216-C218 PolarHBondContact O-N 3.17Å; L216-W241 HydrophobicContact CD1-CZ2 4.21Å; L216-W241 HydrophobicContact CD2-CH2 4.25Å; L216-W241 HydrophobicContact CD2-CZ2 4.1Å; L216-W241 HydrophobicContact CG-CZ2 4.1Å; L216-V245 HydrophobicContact CD1-CG1 4.4Å; L216-V245 HydrophobicContact CD1-CG2 3.95Å; L216-V245 HydrophobicContact CD2-CG1 4.42Å; L216-V271 PolarHBondContact N-O 2.88Å; L216-V271 PolarHBondContact O-N 2.84Å; L216-A274 HydrophobicContact CB-CB 4.46Å; L216-A274 HydrophobicContact CD2-CB 3.63Å |
| 217 | P | 92.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 116.9 | 167.2 | 25.4 | -31.7 | 0 | 0 | 0 | 109.5 | D215 W241 C251 C264 | D215-P217 VanDerWaalsContact O-CD 3.27Å; D215-P217 WeakPolarHBondContact O-CD 3.34Å; P217-W241 WeakPolarHBondContact O-CZ2 3.31Å; P217-W241 PolarHBondContact O-NE1 2.82Å; P217-C251 HydrophobicContact CG-CB 4.41Å; P217-C264 HydrophobicContact CB-CB 4.03Å; P217-C264 HydrophobicContact CG-CB 4.07Å; P217-C264 PolarHBondContact O-SG 3.41Å; P217-C264 VanDerWaalsContact O-SG 3.38Å |
| 218 | C | 92.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.5 | 179.7 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | L216 W241 Q268 T269 V271 W307 | L216-C218 PolarHBondContact O-N 3.17Å; C218-W241 HydrophobicContact CB-CH2 4.45Å; C218-Q268 CarbonylContact O-C 3.59Å; C218-Q268 VanDerWaalsContact O-CA 3.31Å; C218-Q268 WeakPolarHBondContact O-CA 3.36Å; C218-T269 PolarHBondContact N-O 2.91Å; C218-T269 PolarHBondContact O-N 2.89Å; C218-V271 HydrophobicContact CB-CG2 3.92Å; C218-W307 HydrophobicContact CB-CZ2 4.19Å |
| 219 | P | 92.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 142.9 | 171.5 | -23.4 | 33.6 | 0 | 0 | 0 | 111.7 | L221 C233 F238 W241 P265 | P219-L221 HydrophobicContact CB-CD2 4.46Å; P219-L221 PolarHBondContact O-N 2.8Å; P219-C233 HydrophobicContact CB-CB 3.59Å; P219-F238 HydrophobicContact CB-CD2 4.34Å; P219-F238 HydrophobicContact CG-CD2 4.27Å; P219-W241 VanDerWaalsContact CD-CE2 3.43Å; P219-W241 HydrophobicContact CG-CB 4.46Å; P219-W241 HydrophobicContact CG-CD2 3.72Å; P219-W241 HydrophobicContact CG-CE3 3.97Å; P219-W241 HydrophobicContact CG-CG 3.93Å; P219-P265 HydrophobicContact CB-CB 4.38Å; P219-P265 HydrophobicContact CG-CB 4.19Å; P219-P265 HydrophobicContact CG-CG 4.18Å |
| 220 | S | 91 | Very high | 85.8 | Confident | 38 Ų | 38 | 64 Ų | 64 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | trans | -82.3 | 117.2 | 176.8 | -50.1 | 0 | 0 | 0 | 0 | 109 | S232 C233 P267 | S220-S232 WeakPolarHBondContact O-CA 3.29Å; S220-S232 WeakPolarHBondContact O-CB 3.42Å; S220-C233 PolarHBondContact O-N 3.13Å; S220-P267 WeakPolarHBondContact CB-O 3.41Å; S220-P267 PolarHBondContact N-O 3.17Å; S220-P267 PolarHBondContact OG-O 2.98Å | ||
| 221 | L | 91.1 | Very high | 84.9 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | trans | -104.5 | 145.6 | -178 | -57.2 | -172.6 | 0 | 0 | 0 | 111.7 | P219 C233 F238 W307 V340 F342 W348 | P219-L221 HydrophobicContact CB-CD2 4.46Å; P219-L221 PolarHBondContact O-N 2.8Å; L221-C233 HydrophobicContact CD2-CB 4.03Å; L221-F238 HydrophobicContact CD1-CD1 4.39Å; L221-F238 HydrophobicContact CD1-CD2 3.82Å; L221-F238 HydrophobicContact CD1-CE1 4.27Å; L221-F238 HydrophobicContact CD1-CE2 3.65Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD1-CZ 3.89Å; L221-F238 HydrophobicContact CD2-CB 4.12Å; L221-F238 HydrophobicContact CD2-CD2 3.67Å; L221-F238 HydrophobicContact CD2-CE2 4.31Å; L221-F238 HydrophobicContact CD2-CG 3.93Å; L221-F238 HydrophobicContact CG-CD2 4.14Å; L221-F238 HydrophobicContact CG-CE2 4.28Å; L221-W307 HydrophobicContact CD1-CB 4.45Å; L221-W307 HydrophobicContact CD1-CD2 3.97Å; L221-W307 HydrophobicContact CD1-CG 3.85Å; L221-V340 HydrophobicContact CD1-CG1 3.86Å; L221-F342 HydrophobicContact CB-CE1 3.71Å; L221-F342 HydrophobicContact CB-CZ 4.15Å; L221-F342 HydrophobicContact CD1-CE1 4.23Å; L221-F342 HydrophobicContact CD1-CZ 4.24Å; L221-W348 HydrophobicContact CB-CH2 4.42Å; L221-W348 HydrophobicContact CD1-CZ3 4.16Å; L221-W348 HydrophobicContact CD2-CH2 4.09Å; L221-W348 HydrophobicContact CD2-CZ3 3.88Å; L221-W348 HydrophobicContact CG-CZ3 4.45Å | ||
| 222 | N | 87.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | trans | -127.6 | 114.9 | 169.8 | 178 | -15.7 | 0 | 0 | 0 | 108.7 | L224 D225 S232 W348 | N222-L224 PolarHBondContact O-N 2.78Å; N222-L224 PolarHBondContact OD1-N 3.41Å; N222-L224 VanDerWaalsContact OD1-N 3.08Å; N222-D225 HydrophobicContact CB-CB 4.17Å; N222-D225 PolarHBondContact O-N 3.08Å; N222-S232 WeakPolarHBondContact CB-OG 3.47Å; N222-W348 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 223 | A | 85.6 | Confident | 84.1 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -30.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | F342 D346 W348 | A223-F342 HydrophobicContact CB-CB 4.27Å; A223-F342 HydrophobicContact CB-CD1 3.96Å; A223-F342 HydrophobicContact CB-CD2 3.65Å; A223-F342 HydrophobicContact CB-CE1 4.17Å; A223-F342 HydrophobicContact CB-CE2 3.9Å; A223-F342 HydrophobicContact CB-CG 3.69Å; A223-F342 HydrophobicContact CB-CZ 4.15Å; A223-D346 HydrophobicContact CB-CB 3.84Å; A223-W348 PolarHBondContact O-NE1 3.27Å |
| 224 | L | 83.9 | Confident | 84 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -21 | -176.5 | -64 | 177.1 | 0 | 0 | 0 | 114.2 | K17 N222 | K17-L224 PolarHBondContact NZ-O 3.13Å; N222-L224 PolarHBondContact O-N 2.78Å; N222-L224 PolarHBondContact OD1-N 3.41Å; N222-L224 VanDerWaalsContact OD1-N 3.08Å |
| 225 | D | 80.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | trans | -100.5 | 96.9 | -172.4 | -175.9 | 13.9 | 0 | 0 | 0 | 111.8 | N222 R227 G228 D229 Q230 S232 W348 | N222-D225 HydrophobicContact CB-CB 4.17Å; N222-D225 PolarHBondContact O-N 3.08Å; D225-R227 PolarHBondContact OD1-N 3.08Å; D225-G228 PolarHBondContact OD1-N 2.92Å; D225-G228 VanDerWaalsContact OD2-C 3.25Å; D225-G228 VanDerWaalsContact OD2-CA 3.29Å; D225-G228 WeakPolarHBondContact OD2-CA 3.44Å; D225-G228 PolarHBondContact OD2-N 2.86Å; D225-D229 PolarHBondContact OD1-N 2.92Å; D225-D229 PolarHBondContact OD2-N 3.36Å; D225-D229 VanDerWaalsContact OD2-N 3.09Å; D225-Q230 HydrophobicContact CB-CB 4.41Å; D225-Q230 WeakPolarHBondContact OD2-CB 3.17Å; D225-Q230 PolarHBondContact OD2-N 2.83Å; D225-S232 WeakPolarHBondContact CB-OG 3.5Å; D225-S232 PolarHBondContact OD2-OG 3.13Å; D225-W348 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 226 | L | 78.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 58 Ų | 58 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -87.1 | -4.7 | 175.1 | -66.6 | 176.8 | 0 | 0 | 0 | 113.5 | K17 P235 W348 | K17-L226 HydrophobicContact CB-CD1 4.08Å; K17-L226 HydrophobicContact CB-CD2 4.29Å; K17-L226 HydrophobicContact CB-CG 4.48Å; K17-L226 HydrophobicContact CD-CD1 3.84Å; K17-L226 HydrophobicContact CD-CG 4.11Å; K17-L226 HydrophobicContact CG-CD1 3.84Å; K17-L226 HydrophobicContact CG-CG 4.5Å; L226-P235 HydrophobicContact CB-CG 4.36Å; L226-P235 HydrophobicContact CD2-CG 3.66Å; L226-P235 VanDerWaalsContact O-CD 3.28Å; L226-P235 WeakPolarHBondContact O-CD 3.44Å; L226-W348 HydrophobicContact CD2-CD2 4.3Å; L226-W348 HydrophobicContact CD2-CG 4.28Å; L226-W348 HydrophobicContact CD2-CZ2 4.32Å |
| 227 | R | 73.7 | Confident | 83.8 | Confident | 200 Ų | 200 | 58.9 Ų | 58.9 | 76% | 0.755 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -105 | -17.6 | -177 | -67 | -173 | 177.6 | -170.9 | -1.2 | 113.1 | D225 D229 | D225-R227 PolarHBondContact OD1-N 3.08Å; R227-D229 HydrophobicContact CB-CB 4.45Å; R227-D229 VanDerWaalsContact CB-OD2 3.27Å; R227-D229 WeakPolarHBondContact CB-OD2 3.47Å; R227-D229 WeakPolarHBondContact CD-OD2 3.47Å |
| 228 | G | 67.4 | Low | 83.9 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 76.3 | 12.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D225 Q230 S232 | D225-G228 PolarHBondContact OD1-N 2.92Å; D225-G228 VanDerWaalsContact OD2-C 3.25Å; D225-G228 VanDerWaalsContact OD2-CA 3.29Å; D225-G228 WeakPolarHBondContact OD2-CA 3.44Å; D225-G228 PolarHBondContact OD2-N 2.86Å; G228-Q230 VanDerWaalsContact C-N 3.3Å; G228-Q230 PolarHBondContact O-N 3.11Å; G228-S232 VanDerWaalsContact CA-O 3.24Å; G228-S232 WeakPolarHBondContact CA-O 3.39Å |
| 229 | D | 68.6 | Low | 84 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -19.7 | -174.9 | -66.7 | -32 | 0 | 0 | 0 | 112.1 | D225 R227 | D225-D229 PolarHBondContact OD1-N 2.92Å; D225-D229 PolarHBondContact OD2-N 3.36Å; D225-D229 VanDerWaalsContact OD2-N 3.09Å; R227-D229 HydrophobicContact CB-CB 4.45Å; R227-D229 VanDerWaalsContact CB-OD2 3.27Å; R227-D229 WeakPolarHBondContact CB-OD2 3.47Å; R227-D229 WeakPolarHBondContact CD-OD2 3.47Å |
| 230 | Q | 64.8 | Low | 84 | Confident | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 35.8 | -172.7 | -59.3 | -169.7 | -3.4 | 0 | 0 | 113.6 | D225 G228 | D225-Q230 HydrophobicContact CB-CB 4.41Å; D225-Q230 WeakPolarHBondContact OD2-CB 3.17Å; D225-Q230 PolarHBondContact OD2-N 2.83Å; G228-Q230 VanDerWaalsContact C-N 3.3Å; G228-Q230 PolarHBondContact O-N 3.11Å |
| 231 | R | 74.8 | Confident | 84.2 | Confident | 225 Ų | 225 | 62.1 Ų | 62.1 | 85% | 0.849 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 59.3 | 44.3 | -176.8 | -54.1 | 178.8 | 176.7 | 179 | -1.7 | 112.5 | P267 | R231-P267 WeakPolarHBondContact O-CG 3.18Š|
| 232 | S | 83.4 | Confident | 84.4 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -130.9 | 154.8 | 168.8 | 30.4 | 0 | 0 | 0 | 0 | 109.5 | S220 N222 D225 G228 | S220-S232 WeakPolarHBondContact O-CA 3.29Å; S220-S232 WeakPolarHBondContact O-CB 3.42Å; N222-S232 WeakPolarHBondContact CB-OG 3.47Å; D225-S232 WeakPolarHBondContact CB-OG 3.5Å; D225-S232 PolarHBondContact OD2-OG 3.13Å; G228-S232 VanDerWaalsContact CA-O 3.24Å; G228-S232 WeakPolarHBondContact CA-O 3.39Å |
| 233 | C | 88.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | trans | -64.9 | 136.2 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | P219 S220 L221 P265 | P219-C233 HydrophobicContact CB-CB 3.59Å; S220-C233 PolarHBondContact O-N 3.13Å; L221-C233 HydrophobicContact CD2-CB 4.03Å; C233-P265 HydrophobicContact CB-CB 4.34Å; C233-P265 WeakPolarHBondContact SG-CB 3.45Å | ||
| 234 | D | 90.1 | Very high | 85.1 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -69.5 | 153.2 | 174.6 | 75.4 | 87.8 | 0 | 0 | 0 | 110.8 | H236 S237 F238 | D234-H236 VanDerWaalsContact C-N 3.27Å; D234-H236 PolarHBondContact O-N 2.86Å; D234-H236 WeakPolarHBondContact OD1-CB 3.48Å; D234-H236 PolarHBondContact OD1-N 3.21Å; D234-S237 VanDerWaalsContact CG-OG 3.32Å; D234-S237 PolarHBondContact O-N 2.86Å; D234-S237 PolarHBondContact OD1-N 3.15Å; D234-S237 PolarHBondContact OD1-OG 3.4Å; D234-S237 WeakPolarHBondContact OD2-CB 3.15Å; D234-S237 PolarHBondContact OD2-OG 3.27Å; D234-F238 PolarHBondContact O-N 2.77Å | ||
| 235 | P | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -29.1 | -174.3 | -22.8 | 31.8 | 0 | 0 | 0 | 114.8 | C15 L226 L239 W348 H350 | C15-P235 HydrophobicContact CB-CB 4.46Å; C15-P235 WeakPolarHBondContact SG-CB 3.48Å; L226-P235 HydrophobicContact CB-CG 4.36Å; L226-P235 HydrophobicContact CD2-CG 3.66Å; L226-P235 VanDerWaalsContact O-CD 3.28Å; L226-P235 WeakPolarHBondContact O-CD 3.44Å; P235-L239 WeakPolarHBondContact O-CB 3.32Å; P235-L239 PolarHBondContact O-N 2.8Å; P235-W348 HydrophobicContact CB-CE3 3.95Å; P235-W348 HydrophobicContact CB-CH2 4.47Å; P235-W348 HydrophobicContact CB-CZ3 3.94Å; P235-W348 HydrophobicContact CG-CD2 4.38Å; P235-W348 HydrophobicContact CG-CE3 4.12Å; P235-W348 HydrophobicContact CG-CH2 3.94Å; P235-W348 HydrophobicContact CG-CZ2 4.21Å; P235-W348 HydrophobicContact CG-CZ3 3.91Å; P235-H350 VanDerWaalsContact CB-NE2 3.26Å; P235-H350 WeakPolarHBondContact CB-NE2 3.34Å; P235-H350 PolarHBondContact O-NE2 2.62Å |
| 236 | H | 90.2 | Very high | 86 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 41% | 0.407 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -78.1 | -45.5 | -176.3 | -63.5 | 75.6 | 0 | 0 | 0 | 110.8 | L13 D234 F238 L239 E240 | L13-H236 VanDerWaalsContact CD2-CD2 3.44Å; L13-H236 WeakPolarHBondContact CD2-CD2 3.37Å; D234-H236 VanDerWaalsContact C-N 3.27Å; D234-H236 PolarHBondContact O-N 2.86Å; D234-H236 WeakPolarHBondContact OD1-CB 3.48Å; D234-H236 PolarHBondContact OD1-N 3.21Å; H236-F238 PolarHBondContact O-N 2.74Å; H236-L239 PolarHBondContact O-N 3.33Å; H236-L239 VanDerWaalsContact O-N 3.12Å; H236-E240 PolarHBondContact O-N 3.14Å |
| 237 | S | 91.8 | Very high | 86.6 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 171.8 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | D234 W241 | D234-S237 VanDerWaalsContact CG-OG 3.32Å; D234-S237 PolarHBondContact O-N 2.86Å; D234-S237 PolarHBondContact OD1-N 3.15Å; D234-S237 PolarHBondContact OD1-OG 3.4Å; D234-S237 WeakPolarHBondContact OD2-CB 3.15Å; D234-S237 PolarHBondContact OD2-OG 3.27Å; S237-W241 WeakPolarHBondContact O-CB 3.27Å; S237-W241 PolarHBondContact O-N 3.04Å |
| 238 | F | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 172.9 | 174.8 | -98.4 | 0 | 0 | 0 | 112.4 | P219 L221 D234 H236 W241 L242 W307 V340 | P219-F238 HydrophobicContact CB-CD2 4.34Å; P219-F238 HydrophobicContact CG-CD2 4.27Å; L221-F238 HydrophobicContact CD1-CD1 4.39Å; L221-F238 HydrophobicContact CD1-CD2 3.82Å; L221-F238 HydrophobicContact CD1-CE1 4.27Å; L221-F238 HydrophobicContact CD1-CE2 3.65Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD1-CZ 3.89Å; L221-F238 HydrophobicContact CD2-CB 4.12Å; L221-F238 HydrophobicContact CD2-CD2 3.67Å; L221-F238 HydrophobicContact CD2-CE2 4.31Å; L221-F238 HydrophobicContact CD2-CG 3.93Å; L221-F238 HydrophobicContact CG-CD2 4.14Å; L221-F238 HydrophobicContact CG-CE2 4.28Å; D234-F238 PolarHBondContact O-N 2.77Å; H236-F238 PolarHBondContact O-N 2.74Å; F238-W241 AromaticContact CD2-CE3 3.78Å; F238-W241 HydrophobicContact CD2-CE3 3.78Å; F238-W241 HydrophobicContact CD2-CZ3 4.06Å; F238-W241 AromaticContact CE2-CE3 3.62Å; F238-W241 HydrophobicContact CE2-CE3 3.62Å; F238-W241 AromaticContact CE2-CZ3 3.42Å; F238-W241 HydrophobicContact CE2-CZ3 3.42Å; F238-W241 VanDerWaalsContact CE2-CZ3 3.42Å; F238-W241 HydrophobicContact CZ-CE3 4.4Å; F238-W241 HydrophobicContact CZ-CZ3 4.09Å; F238-W241 PolarHBondContact O-N 2.91Å; F238-L242 HydrophobicContact CE1-CD2 4.2Å; F238-L242 WeakPolarHBondContact O-CB 3.36Å; F238-L242 PolarHBondContact O-N 2.88Å; F238-W307 HydrophobicContact CE2-CE3 4.42Å; F238-W307 AromaticContact CE2-CH2 3.73Å; F238-W307 HydrophobicContact CE2-CH2 3.73Å; F238-W307 AromaticContact CE2-CZ2 3.81Å; F238-W307 HydrophobicContact CE2-CZ2 3.81Å; F238-W307 HydrophobicContact CE2-CZ3 4.04Å; F238-W307 HydrophobicContact CZ-CD2 4.5Å; F238-W307 HydrophobicContact CZ-CE3 4Å; F238-W307 AromaticContact CZ-CH2 3.85Å; F238-W307 HydrophobicContact CZ-CH2 3.85Å; F238-W307 HydrophobicContact CZ-CZ2 4.3Å; F238-W307 AromaticContact CZ-CZ3 3.68Å; F238-W307 HydrophobicContact CZ-CZ3 3.68Å; F238-V340 HydrophobicContact CD1-CG2 4.03Å; F238-V340 HydrophobicContact CE1-CG1 4.31Å; F238-V340 HydrophobicContact CE1-CG2 3.45Å; F238-V340 VanDerWaalsContact CE1-CG2 3.45Å; F238-V340 HydrophobicContact CZ-CG2 4.34Å |
| 239 | L | 94.1 | Very high | 88.3 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.3 | -175.6 | 67.8 | 0 | 0 | 0 | 112.1 | L13 P235 H236 L242 G243 F336 N338 H350 | L13-L239 HydrophobicContact CD1-CD2 3.66Å; L13-L239 HydrophobicContact CD2-CD2 3.69Å; L13-L239 HydrophobicContact CG-CD2 4.3Å; P235-L239 WeakPolarHBondContact O-CB 3.32Å; P235-L239 PolarHBondContact O-N 2.8Å; H236-L239 PolarHBondContact O-N 3.33Å; H236-L239 VanDerWaalsContact O-N 3.12Å; L239-L242 PolarHBondContact O-N 3.21Å; L239-G243 PolarHBondContact O-N 3.48Å; L239-F336 HydrophobicContact CD1-CE2 4.16Å; L239-F336 HydrophobicContact CD2-CE2 4.05Å; L239-F336 HydrophobicContact CD2-CZ 4.01Å; L239-N338 HydrophobicContact CD1-CB 3.79Å; L239-H350 HydrophobicContact CD1-CB 4.35Å; L239-H350 HydrophobicContact CD2-CB 3.99Å |
| 240 | E | 93.7 | Very high | 88.9 | Confident | 128 Ų | 128 | 50.1 Ų | 50.1 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.5 | -48.3 | 173 | -176.2 | -178.2 | -139.5 | 0 | 0 | 110.8 | H236 L242 G243 A244 Y262 | H236-E240 PolarHBondContact O-N 3.14Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.84Å; E240-G243 PolarHBondContact O-N 3.35Å; E240-G243 VanDerWaalsContact O-N 3.17Å; E240-A244 PolarHBondContact O-N 3.36Å; E240-Y262 HydrophobicContact CG-CE2 4.35Å; E240-Y262 PolarHBondContact O-OH 2.91Å |
| 241 | W | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 173.5 | 173.4 | 84.5 | 0 | 0 | 0 | 113.2 | L216 P217 C218 P219 S237 F238 G243 A244 V245 Y262 C264 P265 W307 | L216-W241 HydrophobicContact CD1-CZ2 4.21Å; L216-W241 HydrophobicContact CD2-CH2 4.25Å; L216-W241 HydrophobicContact CD2-CZ2 4.1Å; L216-W241 HydrophobicContact CG-CZ2 4.1Å; P217-W241 WeakPolarHBondContact O-CZ2 3.31Å; P217-W241 PolarHBondContact O-NE1 2.82Å; C218-W241 HydrophobicContact CB-CH2 4.45Å; P219-W241 VanDerWaalsContact CD-CE2 3.43Å; P219-W241 HydrophobicContact CG-CB 4.46Å; P219-W241 HydrophobicContact CG-CD2 3.72Å; P219-W241 HydrophobicContact CG-CE3 3.97Å; P219-W241 HydrophobicContact CG-CG 3.93Å; S237-W241 WeakPolarHBondContact O-CB 3.27Å; S237-W241 PolarHBondContact O-N 3.04Å; F238-W241 AromaticContact CD2-CE3 3.78Å; F238-W241 HydrophobicContact CD2-CE3 3.78Å; F238-W241 HydrophobicContact CD2-CZ3 4.06Å; F238-W241 AromaticContact CE2-CE3 3.62Å; F238-W241 HydrophobicContact CE2-CE3 3.62Å; F238-W241 AromaticContact CE2-CZ3 3.42Å; F238-W241 HydrophobicContact CE2-CZ3 3.42Å; F238-W241 VanDerWaalsContact CE2-CZ3 3.42Å; F238-W241 HydrophobicContact CZ-CE3 4.4Å; F238-W241 HydrophobicContact CZ-CZ3 4.09Å; F238-W241 PolarHBondContact O-N 2.91Å; W241-G243 VanDerWaalsContact C-N 3.31Å; W241-G243 PolarHBondContact O-N 3.49Å; W241-A244 WeakPolarHBondContact O-CB 3.39Å; W241-A244 PolarHBondContact O-N 3.09Å; W241-V245 HydrophobicContact CD2-CG2 4.04Å; W241-V245 HydrophobicContact CH2-CG2 4.19Å; W241-V245 HydrophobicContact CZ2-CG2 3.62Å; W241-V245 WeakPolarHBondContact O-CG2 3.07Å; W241-V245 PolarHBondContact O-N 3.45Å; W241-Y262 WeakPolarHBondContact CA-OH 3.29Å; W241-Y262 PolarHBondContact N-OH 3.18Å; W241-C264 PolarHBondContact NE1-SG 3.35Å; W241-P265 HydrophobicContact CB-CG 3.96Å; W241-W307 AromaticContact CH2-CH2 3.76Å; W241-W307 HydrophobicContact CH2-CH2 3.76Å; W241-W307 HydrophobicContact CH2-CZ2 4.09Å; W241-W307 AromaticContact CZ3-CH2 3.63Å; W241-W307 HydrophobicContact CZ3-CH2 3.63Å; W241-W307 HydrophobicContact CZ3-CZ2 4.08Å |
| 242 | L | 95.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.4 | -174.6 | 64.5 | 0 | 0 | 0 | 111.4 | V43 F238 L239 E240 V245 S246 S309 T311 | V43-L242 HydrophobicContact CB-CD1 4.02Å; V43-L242 HydrophobicContact CG2-CD1 3.73Å; F238-L242 HydrophobicContact CE1-CD2 4.2Å; F238-L242 WeakPolarHBondContact O-CB 3.36Å; F238-L242 PolarHBondContact O-N 2.88Å; L239-L242 PolarHBondContact O-N 3.21Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.84Å; L242-V245 PolarHBondContact O-N 3.38Å; L242-S246 PolarHBondContact O-N 2.85Å; L242-S246 PolarHBondContact O-OG 3.42Å; L242-S309 WeakPolarHBondContact CD1-OG 3.46Å; L242-T311 WeakPolarHBondContact CD2-OG1 3.39Å |
| 243 | G | 93.9 | Very high | 89.3 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L239 E240 W241 S246 A247 | L239-G243 PolarHBondContact O-N 3.48Å; E240-G243 PolarHBondContact O-N 3.35Å; E240-G243 VanDerWaalsContact O-N 3.17Å; W241-G243 VanDerWaalsContact C-N 3.31Å; W241-G243 PolarHBondContact O-N 3.49Å; G243-S246 PolarHBondContact O-N 2.99Å; G243-A247 WeakPolarHBondContact O-CB 3.35Å; G243-A247 PolarHBondContact O-N 2.87Å |
| 244 | A | 93.4 | Very high | 88.5 | Confident | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E240 W241 S246 A247 G248 V249 Y262 | E240-A244 PolarHBondContact O-N 3.36Å; W241-A244 WeakPolarHBondContact O-CB 3.39Å; W241-A244 PolarHBondContact O-N 3.09Å; A244-S246 VanDerWaalsContact C-N 3.35Å; A244-S246 PolarHBondContact O-N 3.38Å; A244-A247 CarbonylContact O-C 3.56Å; A244-A247 PolarHBondContact O-N 3.25Å; A244-G248 PolarHBondContact O-N 2.92Å; A244-G248 VanDerWaalsContact O-N 3.11Å; A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 HydrophobicContact CB-CG1 4.48Å; A244-V249 WeakPolarHBondContact O-CB 3.48Å; A244-V249 PolarHBondContact O-N 3.14Å; A244-Y262 HydrophobicContact CB-CD1 4.38Å; A244-Y262 HydrophobicContact CB-CE1 3.35Å; A244-Y262 VanDerWaalsContact CB-CZ 3.48Å; A244-Y262 WeakPolarHBondContact CB-OH 3.37Å |
| 245 | V | 92.9 | Very high | 87.6 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 174 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L213 L216 W241 L242 A247 G248 | L213-V245 HydrophobicContact CD1-CG1 3.46Å; L213-V245 VanDerWaalsContact CD1-CG1 3.46Å; L216-V245 HydrophobicContact CD1-CG1 4.4Å; L216-V245 HydrophobicContact CD1-CG2 3.95Å; L216-V245 HydrophobicContact CD2-CG1 4.42Å; W241-V245 HydrophobicContact CD2-CG2 4.04Å; W241-V245 HydrophobicContact CH2-CG2 4.19Å; W241-V245 HydrophobicContact CZ2-CG2 3.62Å; W241-V245 WeakPolarHBondContact O-CG2 3.07Å; W241-V245 PolarHBondContact O-N 3.45Å; L242-V245 PolarHBondContact O-N 3.38Å; V245-A247 PolarHBondContact O-N 3.05Å; V245-G248 PolarHBondContact O-N 3.15Å |
| 246 | S | 91.5 | Very high | 86.7 | Confident | 30 Ų | 30 | 52 Ų | 52 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -25.5 | 178.5 | -74.1 | 0 | 0 | 0 | 0 | 113.8 | L242 G243 A244 G248 H276 | L242-S246 PolarHBondContact O-N 2.85Å; L242-S246 PolarHBondContact O-OG 3.42Å; G243-S246 PolarHBondContact O-N 2.99Å; A244-S246 VanDerWaalsContact C-N 3.35Å; A244-S246 PolarHBondContact O-N 3.38Å; S246-G248 VanDerWaalsContact C-N 3.34Å; S246-H276 VanDerWaalsContact CA-CE1 3.44Å; S246-H276 WeakPolarHBondContact CA-CE1 3.49Å; S246-H276 PolarHBondContact OG-NE2 2.77Å |
| 247 | A | 91.1 | Very high | 86.2 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 61% | 0.612 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G243 A244 V245 V249 | G243-A247 WeakPolarHBondContact O-CB 3.35Å; G243-A247 PolarHBondContact O-N 2.87Å; A244-A247 CarbonylContact O-C 3.56Å; A244-A247 PolarHBondContact O-N 3.25Å; V245-A247 PolarHBondContact O-N 3.05Å; A247-V249 VanDerWaalsContact C-N 3.3Å; A247-V249 HydrophobicContact CB-CG2 4.01Å |
| 248 | G | 89.4 | Confident | 85.7 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 23.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A244 V245 S246 | A244-G248 PolarHBondContact O-N 2.92Å; A244-G248 VanDerWaalsContact O-N 3.11Å; V245-G248 PolarHBondContact O-N 3.15Å; S246-G248 VanDerWaalsContact C-N 3.34Å |
| 249 | V | 88.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | trans | -80.4 | 124 | 177 | 178.5 | 0 | 0 | 0 | 0 | 109 | A244 A247 Y262 | A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 HydrophobicContact CB-CG1 4.48Å; A244-V249 WeakPolarHBondContact O-CB 3.48Å; A244-V249 PolarHBondContact O-N 3.14Å; A247-V249 VanDerWaalsContact C-N 3.3Å; A247-V249 HydrophobicContact CB-CG2 4.01Å; V249-Y262 HydrophobicContact CG1-CD1 4.01Å; V249-Y262 HydrophobicContact CG1-CE1 4.46Å | ||
| 250 | S | 80.6 | Confident | 84.7 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -81.1 | 143.7 | 178 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | D252 | S250-D252 VanDerWaalsContact C-N 3.33Å; S250-D252 WeakPolarHBondContact CB-OD1 3.39Å; S250-D252 VanDerWaalsContact OG-CG 3.24Å; S250-D252 PolarHBondContact OG-N 3.37Å; S250-D252 PolarHBondContact OG-OD1 3.41Å | ||
| 251 | C | 81.4 | Confident | 84.5 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | trans | -96.2 | 13.2 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | P217 N253 C264 | P217-C251 HydrophobicContact CG-CB 4.41Å; C251-N253 PolarHBondContact O-N 3.41Å; C251-C264 HydrophobicContact CB-CB 4.04Å | ||
| 252 | D | 75.2 | Confident | 84.2 | Confident | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | trans | -73.6 | 97.2 | 173.8 | 73.7 | -46 | 0 | 0 | 0 | 107.8 | S250 T254 | S250-D252 VanDerWaalsContact C-N 3.33Å; S250-D252 WeakPolarHBondContact CB-OD1 3.39Å; S250-D252 VanDerWaalsContact OG-CG 3.24Å; S250-D252 PolarHBondContact OG-N 3.37Å; S250-D252 PolarHBondContact OG-OD1 3.41Å; D252-T254 HydrophobicContact CB-CG2 3.9Å; D252-T254 PolarHBondContact O-N 2.98Å; D252-T254 PolarHBondContact OD2-OG1 3.41Å | ||
| 253 | N | 73.4 | Confident | 83.9 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | trans | -69.4 | 57.8 | 175.1 | -173.5 | 2 | 0 | 0 | 0 | 110.2 | C251 S260 V263 | C251-N253 PolarHBondContact O-N 3.41Å; N253-S260 PolarHBondContact OD1-O 2.83Å; N253-V263 HydrophobicContact CB-CG1 4.05Å | ||
| 254 | T | 73.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | trans | -99.2 | 117 | -176.7 | 63.5 | 0 | 0 | 0 | 0 | 108.5 | D252 A256 | D252-T254 HydrophobicContact CB-CG2 3.9Å; D252-T254 PolarHBondContact O-N 2.98Å; D252-T254 PolarHBondContact OD2-OG1 3.41Å; T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 3.32Å | ||
| 255 | A | 70.6 | Confident | 83.7 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 69% | 0.694 | 44% | 0.44 | S | S | * | . | trans | -81.8 | 79.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L259 | A255-L259 HydrophobicContact CB-CD1 4.16Š| ||
| 256 | A | 71.9 | Confident | 83.5 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -94.4 | -79.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T254 | T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 3.32Å |
| 257 | S | 79.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 75.1 Ų | 75.1 | 78% | 0.776 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -108.7 | -19.1 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 258 | F | 81.3 | Confident | 83.5 | Confident | 150 Ų | 150 | 74.9 Ų | 74.9 | 66% | 0.658 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -148.1 | 160.4 | 172.1 | 60.7 | -86.3 | 0 | 0 | 0 | 108.5 | ||
| 259 | L | 82.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 76 Ų | 76 | 63% | 0.628 | 45% | 0.451 | S | S | * | . | trans | -93.3 | 110.5 | 175.8 | -178.6 | 67.5 | 0 | 0 | 0 | 109.2 | A255 T261 | A255-L259 HydrophobicContact CB-CD1 4.16Å; L259-T261 HydrophobicContact CD2-CG2 4.14Å; L259-T261 HydrophobicContact CG-CG2 4.15Å | ||
| 260 | S | 84.9 | Confident | 83.7 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 20% | 0.196 | 46% | 0.46 | C | S | . | . | trans | -90.7 | 116.5 | 164.2 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | N253 Y262 | N253-S260 PolarHBondContact OD1-O 2.83Å; S260-Y262 VanDerWaalsContact C-N 3.28Å | ||
| 261 | T | 88.1 | Confident | 84.3 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | trans | -87.5 | 0.3 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | L259 | L259-T261 HydrophobicContact CD2-CG2 4.14Å; L259-T261 HydrophobicContact CG-CG2 4.15Å | ||
| 262 | Y | 89.2 | Confident | 84.8 | Confident | 48 Ų | 48 | 79 Ų | 79 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | trans | -74.2 | 127.9 | -178.2 | -170.6 | -109.2 | 0 | 0 | 0 | 110.6 | E240 W241 A244 V249 S260 | E240-Y262 HydrophobicContact CG-CE2 4.35Å; E240-Y262 PolarHBondContact O-OH 2.91Å; W241-Y262 WeakPolarHBondContact CA-OH 3.29Å; W241-Y262 PolarHBondContact N-OH 3.18Å; A244-Y262 HydrophobicContact CB-CD1 4.38Å; A244-Y262 HydrophobicContact CB-CE1 3.35Å; A244-Y262 VanDerWaalsContact CB-CZ 3.48Å; A244-Y262 WeakPolarHBondContact CB-OH 3.37Å; V249-Y262 HydrophobicContact CG1-CD1 4.01Å; V249-Y262 HydrophobicContact CG1-CE1 4.46Å; S260-Y262 VanDerWaalsContact C-N 3.28Å | ||
| 263 | V | 89.8 | Confident | 85.7 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 47% | 0.473 | 46% | 0.463 | S | S | . | . | trans | -131.8 | 149.6 | -176.8 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | N253 | N253-V263 HydrophobicContact CB-CG1 4.05Š| ||
| 264 | C | 91.1 | Very high | 86.7 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.054 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 136.1 | 173.6 | 176.1 | 0 | 0 | 0 | 0 | 110 | P217 W241 C251 Q268 | P217-C264 HydrophobicContact CB-CB 4.03Å; P217-C264 HydrophobicContact CG-CB 4.07Å; P217-C264 PolarHBondContact O-SG 3.41Å; P217-C264 VanDerWaalsContact O-SG 3.38Å; W241-C264 PolarHBondContact NE1-SG 3.35Å; C251-C264 HydrophobicContact CB-CB 4.04Å; C264-Q268 PolarHBondContact SG-OE1 2.95Å |
| 265 | P | 92.1 | Very high | 87.7 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 14% | 0.143 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 134.7 | 179 | -26 | 32.9 | 0 | 0 | 0 | 113.7 | P219 C233 W241 | P219-P265 HydrophobicContact CB-CB 4.38Å; P219-P265 HydrophobicContact CG-CB 4.19Å; P219-P265 HydrophobicContact CG-CG 4.18Å; C233-P265 HydrophobicContact CB-CB 4.34Å; C233-P265 WeakPolarHBondContact SG-CB 3.45Å; W241-P265 HydrophobicContact CB-CG 3.96Å |
| 266 | E | 88.1 | Confident | 89 | Confident | 131 Ų | 131 | 67.3 Ų | 67.3 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -89.3 | 148.1 | 174.3 | -69.3 | -67.6 | 168.5 | 0 | 0 | 111.4 | Q268 | E266-Q268 PolarHBondContact OE1-NE2 2.96Å; E266-Q268 PolarHBondContact OE2-N 3.3Å; E266-Q268 VanDerWaalsContact OE2-N 3.13Å |
| 267 | P | 91 | Very high | 90.1 | Very high | 45 Ų | 45 | 63 Ų | 63 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -80.1 | 138 | -1.1 | 27.7 | -26.9 | 0 | 0 | 0 | 112.4 | S220 R231 | S220-P267 WeakPolarHBondContact CB-O 3.41Å; S220-P267 PolarHBondContact N-O 3.17Å; S220-P267 PolarHBondContact OG-O 2.98Å; R231-P267 WeakPolarHBondContact O-CG 3.18Å |
| 268 | Q | 90.9 | Very high | 91 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 158.9 | -178.9 | 65.8 | -172.8 | -19.3 | 0 | 0 | 113.9 | C218 C264 E266 | C218-Q268 CarbonylContact O-C 3.59Å; C218-Q268 VanDerWaalsContact O-CA 3.31Å; C218-Q268 WeakPolarHBondContact O-CA 3.36Å; C264-Q268 PolarHBondContact SG-OE1 2.95Å; E266-Q268 PolarHBondContact OE1-NE2 2.96Å; E266-Q268 PolarHBondContact OE2-N 3.3Å; E266-Q268 VanDerWaalsContact OE2-N 3.13Å |
| 269 | T | 91.2 | Very high | 91.8 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135 | 170.7 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | C218 V271 | C218-T269 PolarHBondContact N-O 2.91Å; C218-T269 PolarHBondContact O-N 2.89Å; T269-V271 PolarHBondContact O-N 3.36Å |
| 270 | L | 92 | Very high | 92.5 | Very high | 115 Ų | 115 | 47 Ų | 47 | 60% | 0.602 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.1 | 176.3 | -171.1 | 68.5 | 0 | 0 | 0 | 110.4 | D215 | D215-L270 HydrophobicContact CB-CD1 4.25Å; D215-L270 WeakPolarHBondContact O-CD1 3.44Å |
| 271 | V | 92.2 | Very high | 93 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.2 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | P45 G46 D215 L216 C218 T269 Q273 | P45-V271 HydrophobicContact CB-CG1 4.28Å; P45-V271 HydrophobicContact CB-CG2 4.41Å; G46-V271 VanDerWaalsContact N-CG1 3.3Å; D215-V271 CarbonylContact C-O 3.57Å; D215-V271 WeakPolarHBondContact CA-O 3.23Å; D215-V271 PolarHBondContact N-O 2.96Å; L216-V271 PolarHBondContact N-O 2.88Å; L216-V271 PolarHBondContact O-N 2.84Å; C218-V271 HydrophobicContact CB-CG2 3.92Å; T269-V271 PolarHBondContact O-N 3.36Å; V271-Q273 VanDerWaalsContact C-N 3.27Å; V271-Q273 VanDerWaalsContact CG1-O 3.24Å; V271-Q273 WeakPolarHBondContact CG1-O 3.32Å; V271-Q273 PolarHBondContact O-N 3.4Å |
| 272 | S | 92.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | -35.7 | -175.6 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | K214 D215 | K214-S272 WeakPolarHBondContact CA-O 3.48Å; D215-S272 PolarHBondContact N-O 2.92Å |
| 273 | Q | 93.8 | Very high | 93.8 | Very high | 87 Ų | 87 | 38.5 Ų | 38.5 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138.5 | -179.9 | -63.5 | -176.5 | -12.9 | 0 | 0 | 111.4 | G46 C47 T212 L213 V271 | G46-Q273 CarbonylContact C-O 3.5Å; G46-Q273 WeakPolarHBondContact CA-O 3.35Å; G46-Q273 PolarHBondContact N-O 3.33Å; C47-Q273 PolarHBondContact N-O 2.91Å; T212-Q273 HydrophobicContact CG2-CB 4.14Å; T212-Q273 HydrophobicContact CG2-CG 4.31Å; L213-Q273 CarbonylContact O-C 3.59Å; L213-Q273 VanDerWaalsContact O-CA 3.27Å; L213-Q273 WeakPolarHBondContact O-CA 3.23Å; V271-Q273 VanDerWaalsContact C-N 3.27Å; V271-Q273 VanDerWaalsContact CG1-O 3.24Å; V271-Q273 WeakPolarHBondContact CG1-O 3.32Å; V271-Q273 PolarHBondContact O-N 3.4Å |
| 274 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | I44 C47 T212 L213 L216 | I44-A274 WeakPolarHBondContact O-CA 3.21Å; C47-A274 CarbonylContact O-C 3.52Å; C47-A274 WeakPolarHBondContact O-CA 3.34Å; T212-A274 CarbonylContact C-O 3.54Å; T212-A274 WeakPolarHBondContact CA-O 3.41Å; L213-A274 HydrophobicContact CB-CB 4.29Å; L213-A274 PolarHBondContact N-O 2.85Å; L213-A274 PolarHBondContact O-N 2.8Å; L216-A274 HydrophobicContact CB-CB 4.46Å; L216-A274 HydrophobicContact CD2-CB 3.63Å |
| 275 | L | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.8 | 175.5 | 176.6 | 67.6 | 0 | 0 | 0 | 108.1 | V43 I44 C47 L50 S210 | V43-L275 CarbonylContact C-O 3.48Å; V43-L275 VanDerWaalsContact CA-O 3.28Å; V43-L275 WeakPolarHBondContact CA-O 3.38Å; I44-L275 HydrophobicContact CB-CB 4.27Å; I44-L275 HydrophobicContact CD1-CD2 4.19Å; I44-L275 PolarHBondContact N-O 3.39Å; I44-L275 PolarHBondContact O-N 3.17Å; C47-L275 HydrophobicContact CB-CB 4.03Å; C47-L275 PolarHBondContact O-N 2.88Å; L50-L275 HydrophobicContact CB-CD2 4.26Å; L50-L275 HydrophobicContact CD1-CD2 3.84Å; S210-L275 VanDerWaalsContact OG-CD1 3.26Å; S210-L275 WeakPolarHBondContact OG-CD1 3.47Å |
| 276 | H | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114.9 | 164 | -178.8 | -148.4 | 0 | 0 | 0 | 108.8 | V42 V43 S210 H211 L213 S246 T278 | V42-H276 WeakPolarHBondContact O-CA 3.16Å; V43-H276 HydrophobicContact CG2-CB 4.37Å; S210-H276 WeakPolarHBondContact CA-O 3.15Å; H211-H276 AromaticContact CD2-ND1 3.92Å; H211-H276 AromaticContact CE1-CE1 3.63Å; H211-H276 AromaticContact CE1-CG 3.49Å; H211-H276 VanDerWaalsContact CE1-CG 3.49Å; H211-H276 AromaticContact CE1-ND1 2.94Å; H211-H276 PolarHBondContact CE1-ND1 3.25Å; H211-H276 PolarHBondContact N-O 2.84Å; H211-H276 PolarHBondContact ND1-O 2.84Å; H211-H276 WeakPolarHBondContact NE2-CB 3.47Å; H211-H276 AromaticContact NE2-CE1 3.72Å; H211-H276 AromaticContact NE2-CG 3.41Å; H211-H276 AromaticContact NE2-ND1 2.73Å; H211-H276 PolarHBondContact NE2-ND1 2.84Å; H211-H276 PolarHBondContact O-N 2.87Å; L213-H276 HydrophobicContact CD1-CB 3.97Å; L213-H276 HydrophobicContact CG-CB 4.29Å; S246-H276 VanDerWaalsContact CA-CE1 3.44Å; S246-H276 WeakPolarHBondContact CA-CE1 3.49Å; S246-H276 PolarHBondContact OG-NE2 2.77Å; H276-T278 VanDerWaalsContact NE2-CG2 3.33Å; H276-T278 WeakPolarHBondContact NE2-CG2 3.46Å |
| 277 | C | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | S41 V42 S209 | S41-C277 CarbonylContact C-O 3.6Å; S41-C277 WeakPolarHBondContact CA-O 3.23Å; V42-C277 PolarHBondContact N-O 2.79Å; V42-C277 PolarHBondContact O-N 2.82Å; S209-C277 CarbonylContact O-C 3.57Å; S209-C277 WeakPolarHBondContact O-CA 3.26Å |
| 278 | T | 97.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.5 | 176.6 | 62 | 0 | 0 | 0 | 0 | 110.9 | V40 V208 S209 H276 | V40-T278 CarbonylContact O-C 3.55Å; V40-T278 WeakPolarHBondContact O-CA 3.37Å; V208-T278 WeakPolarHBondContact CA-O 3.37Å; S209-T278 PolarHBondContact N-O 2.97Å; S209-T278 PolarHBondContact O-N 2.87Å; S209-T278 PolarHBondContact O-OG1 3.23Å; S209-T278 PolarHBondContact OG-OG1 2.82Å; H276-T278 VanDerWaalsContact NE2-CG2 3.33Å; H276-T278 WeakPolarHBondContact NE2-CG2 3.46Å |
| 279 | V | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.9 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 107.5 | K39 V40 I58 F61 P206 V207 V208 L283 | K39-V279 CarbonylContact C-O 3.58Å; K39-V279 WeakPolarHBondContact CA-O 3.39Å; V40-V279 PolarHBondContact N-O 3.09Å; V40-V279 PolarHBondContact O-N 2.5Å; I58-V279 HydrophobicContact CD1-CG2 4.45Å; I58-V279 HydrophobicContact CG1-CG2 4.29Å; I58-V279 HydrophobicContact CG2-CG2 3.65Å; F61-V279 HydrophobicContact CD2-CG1 3.81Å; F61-V279 HydrophobicContact CE2-CB 4.4Å; F61-V279 HydrophobicContact CE2-CG1 3.99Å; P206-V279 HydrophobicContact CB-CG1 3.54Å; V207-V279 CarbonylContact O-C 3.16Å; V207-V279 WeakPolarHBondContact O-CA 3.42Å; V208-V279 HydrophobicContact CG2-CG1 4.32Å; V208-V279 HydrophobicContact CG2-CG2 4.34Å; V279-L283 HydrophobicContact CG1-CD1 4.5Å; V279-L283 HydrophobicContact CG1-CD2 3.9Å |
| 280 | S | 97.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.2 | -175.8 | -55.3 | 0 | 0 | 0 | 0 | 112 | H38 P206 V207 | H38-S280 CarbonylContact O-C 3.57Å; H38-S280 WeakPolarHBondContact O-CA 3.4Å; P206-S280 CarbonylContact C-O 3.51Å; P206-S280 WeakPolarHBondContact CA-O 3.1Å; V207-S280 PolarHBondContact N-O 3.32Å; V207-S280 PolarHBondContact O-N 2.84Å |
| 281 | G | 96.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 6% | 0.062 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | -148 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H38 F315 | H38-G281 WeakPolarHBondContact CA-O 3.37Å; H38-G281 PolarHBondContact ND1-O 3Å; H38-G281 PolarHBondContact O-N 3.13Å; H38-G281 VanDerWaalsContact O-O 3.07Å; G281-F315 WeakPolarHBondContact O-CZ 3.33Å |
| 282 | L | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.7 | 155.5 | 176.3 | 67.2 | 0 | 0 | 0 | 106.6 | F36 Y64 L178 F315 | F36-L282 HydrophobicContact CD1-CD1 4.4Å; Y64-L282 HydrophobicContact CD1-CB 4.11Å; Y64-L282 HydrophobicContact CD2-CB 4.01Å; Y64-L282 HydrophobicContact CE2-CB 4.48Å; Y64-L282 HydrophobicContact CG-CB 3.8Å; L178-L282 HydrophobicContact CB-CD2 4.03Å; L282-F315 HydrophobicContact CB-CZ 4.45Å; L282-F315 HydrophobicContact CD1-CE2 3.67Å; L282-F315 HydrophobicContact CD1-CZ 4.13Å |
| 283 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.6 | -175.3 | -43.6 | 174.1 | 0 | 0 | 0 | 108.8 | N37 V40 F61 P206 V279 I288 | N37-L283 HydrophobicContact CB-CB 3.99Å; N37-L283 WeakPolarHBondContact CB-O 3.35Å; N37-L283 PolarHBondContact ND2-O 2.92Å; N37-L283 PolarHBondContact O-N 3.38Å; V40-L283 HydrophobicContact CB-CD1 4.07Å; V40-L283 HydrophobicContact CG2-CD1 3.51Å; F61-L283 HydrophobicContact CD2-CD2 4.12Å; P206-L283 HydrophobicContact CB-CD2 3.69Å; P206-L283 HydrophobicContact CG-CD2 3.72Å; V279-L283 HydrophobicContact CG1-CD1 4.5Å; V279-L283 HydrophobicContact CG1-CD2 3.9Å; L283-I288 HydrophobicContact CB-CD1 4.2Å; L283-I288 HydrophobicContact CB-CG1 4.45Å |
| 284 | L | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | trans | -81.1 | 143.6 | -178.1 | -56.5 | -171.2 | 0 | 0 | 0 | 110.4 | Y91 R181 H182 E286 D287 I288 | Y91-L284 HydrophobicContact CD2-CD1 4.38Å; Y91-L284 HydrophobicContact CD2-CD2 3.59Å; Y91-L284 HydrophobicContact CE2-CD1 4.45Å; Y91-L284 HydrophobicContact CE2-CD2 4.06Å; Y91-L284 HydrophobicContact CG-CD2 3.85Å; R181-L284 VanDerWaalsContact C-CD1 3.47Å; H182-L284 HydrophobicContact CB-CD1 3.99Å; L284-E286 WeakPolarHBondContact CB-OE2 3.4Å; L284-E286 PolarHBondContact O-N 3.18Å; L284-E286 VanDerWaalsContact O-N 3.13Å; L284-D287 WeakPolarHBondContact O-CB 3.45Å; L284-D287 PolarHBondContact O-N 3.49Å; L284-D287 VanDerWaalsContact O-N 3.11Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 2.93Å | ||
| 285 | P | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -51.8 | -34.7 | 177.1 | -27.7 | 35.2 | 0 | 0 | 0 | 113.7 | Y91 I288 Y289 | Y91-P285 HydrophobicContact CE1-CG 4Å; P285-I288 PolarHBondContact O-N 3.18Å; P285-Y289 WeakPolarHBondContact O-CB 3.4Å; P285-Y289 PolarHBondContact O-N 3.32Å |
| 286 | E | 95.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 17 Ų | 17 | 22% | 0.22 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.5 | -33.7 | -177.7 | -55.6 | 89.6 | 166.1 | 0 | 0 | 112.5 | Y91 H182 L284 Y289 S290 | Y91-E286 PolarHBondContact OH-OE1 3.38Å; Y91-E286 PolarHBondContact OH-OE2 2.96Å; H182-E286 HydrophobicContact CB-CG 4.42Å; H182-E286 VanDerWaalsContact CD2-CG 3.44Å; H182-E286 WeakPolarHBondContact CD2-CG 3.33Å; H182-E286 IonicContact CD2-OE1 3.92Å; H182-E286 WeakPolarHBondContact CE1-CB 3.42Å; H182-E286 IonicContact CG-OE1 2.72Å; H182-E286 IonicContact CG-OE2 3.35Å; L284-E286 WeakPolarHBondContact CB-OE2 3.4Å; L284-E286 PolarHBondContact O-N 3.18Å; L284-E286 VanDerWaalsContact O-N 3.13Å; E286-Y289 PolarHBondContact O-N 2.86Å; E286-S290 WeakPolarHBondContact O-CB 3.47Å; E286-S290 PolarHBondContact O-N 3.34Å; E286-S290 PolarHBondContact O-OG 2.98Å |
| 287 | D | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | 172.6 | -63.5 | -34.8 | 0 | 0 | 0 | 110.3 | F61 S62 L284 Y289 S290 L291 | F61-D287 HydrophobicContact CB-CB 4.42Å; F61-D287 HydrophobicContact CD1-CB 3.78Å; F61-D287 HydrophobicContact CD2-CB 4.16Å; F61-D287 HydrophobicContact CE1-CB 3.95Å; F61-D287 WeakPolarHBondContact CE1-O 3.48Å; F61-D287 HydrophobicContact CE2-CB 4.32Å; F61-D287 HydrophobicContact CG-CB 3.89Å; F61-D287 HydrophobicContact CZ-CB 4.21Å; S62-D287 WeakPolarHBondContact CB-OD2 3.46Å; S62-D287 VanDerWaalsContact N-CG 3.34Å; S62-D287 PolarHBondContact N-OD1 2.91Å; S62-D287 PolarHBondContact N-OD2 2.89Å; S62-D287 PolarHBondContact OG-OD1 3.14Å; S62-D287 PolarHBondContact OG-OD2 3.17Å; S62-D287 VanDerWaalsContact OG-OD2 3.09Å; L284-D287 WeakPolarHBondContact O-CB 3.45Å; L284-D287 PolarHBondContact O-N 3.49Å; L284-D287 VanDerWaalsContact O-N 3.11Å; D287-Y289 VanDerWaalsContact C-N 3.35Å; D287-S290 WeakPolarHBondContact O-CB 3.12Å; D287-S290 PolarHBondContact O-N 2.98Å; D287-L291 PolarHBondContact O-N 2.89Å |
| 288 | I | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 178.1 | -61.6 | 169 | 0 | 0 | 0 | 110.4 | V31 N37 V40 L283 L284 P285 L291 L292 L310 V312 | V31-I288 HydrophobicContact CG1-CB 4.25Å; V31-I288 HydrophobicContact CG1-CG2 4.01Å; N37-I288 HydrophobicContact CB-CD1 3.53Å; N37-I288 WeakPolarHBondContact ND2-CD1 3.14Å; N37-I288 WeakPolarHBondContact OD1-CD1 3.43Å; V40-I288 HydrophobicContact CG2-CD1 4Å; V40-I288 HydrophobicContact CG2-CG1 3.89Å; L283-I288 HydrophobicContact CB-CD1 4.2Å; L283-I288 HydrophobicContact CB-CG1 4.45Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 2.93Å; P285-I288 PolarHBondContact O-N 3.18Å; I288-L291 WeakPolarHBondContact O-CB 3.48Å; I288-L291 PolarHBondContact O-N 3.39Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 PolarHBondContact O-N 2.99Å; I288-L310 HydrophobicContact CG2-CD2 4.49Å; I288-V312 HydrophobicContact CD1-CG1 3.9Å; I288-V312 HydrophobicContact CG2-CG2 4.03Å |
| 289 | Y | 96.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 25 Ų | 25 | 26% | 0.259 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.3 | -175 | -113.8 | 0 | 0 | 0 | 111.7 | D28 P285 E286 D287 L291 L292 Q293 | D28-Y289 HydrophobicContact CB-CE2 4.37Å; D28-Y289 WeakPolarHBondContact OD1-CE2 3.17Å; D28-Y289 PolarHBondContact OD1-OH 3.11Å; D28-Y289 PolarHBondContact OD2-OH 2.98Å; P285-Y289 WeakPolarHBondContact O-CB 3.4Å; P285-Y289 PolarHBondContact O-N 3.32Å; E286-Y289 PolarHBondContact O-N 2.86Å; D287-Y289 VanDerWaalsContact C-N 3.35Å; Y289-L291 VanDerWaalsContact C-N 3.29Å; Y289-L291 PolarHBondContact O-N 3.23Å; Y289-L292 WeakPolarHBondContact O-CB 3.35Å; Y289-L292 PolarHBondContact O-N 3.11Å; Y289-L292 VanDerWaalsContact O-N 3.14Å; Y289-Q293 HydrophobicContact CD1-CG 4.47Å; Y289-Q293 HydrophobicContact CE1-CG 4.11Å; Y289-Q293 HydrophobicContact CE2-CG 4.32Å; Y289-Q293 WeakPolarHBondContact O-CG 3.47Å; Y289-Q293 PolarHBondContact O-N 3.13Å; Y289-Q293 PolarHBondContact OH-NE2 3.47Å |
| 290 | S | 96.1 | Very high | 95 | Very high | 53 Ų | 53 | 30 Ų | 30 | 37% | 0.371 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 174 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E286 D287 E294 | E286-S290 WeakPolarHBondContact O-CB 3.47Å; E286-S290 PolarHBondContact O-N 3.34Å; E286-S290 PolarHBondContact O-OG 2.98Å; D287-S290 WeakPolarHBondContact O-CB 3.12Å; D287-S290 PolarHBondContact O-N 2.98Å; S290-E294 PolarHBondContact O-N 2.91Å |
| 291 | L | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 173 | 176.6 | 61.9 | 0 | 0 | 0 | 111.9 | V40 V42 L54 V57 I58 F61 D287 I288 Y289 Q293 E294 L295 L310 | V40-L291 HydrophobicContact CG1-CD2 3.85Å; V42-L291 HydrophobicContact CG2-CD2 4.13Å; L54-L291 HydrophobicContact CD2-CD1 3.98Å; V57-L291 HydrophobicContact CG1-CB 4.13Å; V57-L291 HydrophobicContact CG1-CD1 4.48Å; I58-L291 HydrophobicContact CD1-CD1 4.34Å; I58-L291 HydrophobicContact CG1-CD1 4.12Å; F61-L291 HydrophobicContact CE1-CB 4.15Å; F61-L291 HydrophobicContact CZ-CB 4Å; F61-L291 HydrophobicContact CZ-CD2 3.9Å; D287-L291 PolarHBondContact O-N 2.89Å; I288-L291 WeakPolarHBondContact O-CB 3.48Å; I288-L291 PolarHBondContact O-N 3.39Å; Y289-L291 VanDerWaalsContact C-N 3.29Å; Y289-L291 PolarHBondContact O-N 3.23Å; L291-Q293 PolarHBondContact O-N 2.77Å; L291-E294 PolarHBondContact O-N 3.48Å; L291-L295 HydrophobicContact CD1-CD1 4.29Å; L291-L295 HydrophobicContact CD1-CG 4.22Å; L291-L295 HydrophobicContact CG-CD1 4.05Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 3.18Å; L291-L310 HydrophobicContact CD2-CD1 3.96Å |
| 292 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 178.1 | 176.4 | 61.8 | 0 | 0 | 0 | 111.4 | F20 V31 I288 Y289 E294 L295 Q296 L310 L339 L341 | F20-L292 HydrophobicContact CE1-CD1 4.41Å; F20-L292 HydrophobicContact CZ-CD1 4.32Å; V31-L292 HydrophobicContact CG2-CD2 3.95Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 PolarHBondContact O-N 2.99Å; Y289-L292 WeakPolarHBondContact O-CB 3.35Å; Y289-L292 PolarHBondContact O-N 3.11Å; Y289-L292 VanDerWaalsContact O-N 3.14Å; L292-E294 PolarHBondContact O-N 3.04Å; L292-L295 PolarHBondContact O-N 3.05Å; L292-Q296 WeakPolarHBondContact O-CG 3.18Å; L292-Q296 PolarHBondContact O-N 2.75Å; L292-L310 HydrophobicContact CB-CD2 4.09Å; L292-L310 HydrophobicContact CD1-CD2 3.94Å; L292-L339 HydrophobicContact CD1-CD1 3.83Å; L292-L339 HydrophobicContact CD2-CD1 3.79Å; L292-L339 HydrophobicContact CG-CD1 4.47Å; L292-L341 HydrophobicContact CD1-CD1 4.12Å; L292-L341 HydrophobicContact CD1-CD2 3.9Å; L292-L341 HydrophobicContact CD1-CG 4.5Å |
| 293 | Q | 95.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58 | -39 | 176 | -71.6 | -175.9 | -31.5 | 0 | 0 | 111.8 | Y289 L291 Q296 R297 | Y289-Q293 HydrophobicContact CD1-CG 4.47Å; Y289-Q293 HydrophobicContact CE1-CG 4.11Å; Y289-Q293 HydrophobicContact CE2-CG 4.32Å; Y289-Q293 WeakPolarHBondContact O-CG 3.47Å; Y289-Q293 PolarHBondContact O-N 3.13Å; Y289-Q293 PolarHBondContact OH-NE2 3.47Å; L291-Q293 PolarHBondContact O-N 2.77Å; Q293-Q296 PolarHBondContact O-N 3.48Å; Q293-R297 WeakPolarHBondContact O-CG 3.35Å; Q293-R297 PolarHBondContact O-N 3.38Å |
| 294 | E | 95.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.1 | -29.7 | 179.9 | -168.8 | 52.9 | -168.9 | 0 | 0 | 113.2 | R53 L54 V57 S290 L291 L292 R297 F298 | R53-E294 HydrophobicContact CB-CG 4.5Å; R53-E294 WeakPolarHBondContact CB-OE1 3.36Å; R53-E294 IonicContact CZ-OE1 2.82Å; R53-E294 IonicContact CZ-OE2 2.85Å; R53-E294 IonicContact NE-OE1 2.68Å; R53-E294 PolarHBondContact NE-OE1 3.28Å; R53-E294 IonicContact NE-OE2 2.97Å; R53-E294 IonicContact NH2-OE1 2.62Å; R53-E294 PolarHBondContact NH2-OE1 3.31Å; R53-E294 IonicContact NH2-OE2 3.93Å; R53-E294 PolarHBondContact NH2-OE2 2.83Å; L54-E294 HydrophobicContact CD2-CB 4.27Å; L54-E294 HydrophobicContact CD2-CG 3.87Å; V57-E294 HydrophobicContact CG2-CB 4.13Å; V57-E294 HydrophobicContact CG2-CG 4.05Å; S290-E294 PolarHBondContact O-N 2.91Å; L291-E294 PolarHBondContact O-N 3.48Å; L292-E294 PolarHBondContact O-N 3.04Å; E294-R297 PolarHBondContact O-N 2.83Å; E294-R297 WeakPolarHBondContact OE2-CD 3.14Å; E294-R297 IonicContact OE2-NH1 3.04Å; E294-F298 PolarHBondContact O-N 3.19Å |
| 295 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -34.2 | 169.3 | -70.3 | 171.7 | 0 | 0 | 0 | 112.2 | V42 I44 L54 L291 L292 F298 L308 L310 L341 | V42-L295 HydrophobicContact CG1-CD1 4.28Å; V42-L295 HydrophobicContact CG1-CD2 3.88Å; V42-L295 HydrophobicContact CG2-CD1 4.17Å; I44-L295 HydrophobicContact CD1-CD2 4.23Å; L54-L295 HydrophobicContact CD1-CD2 4.28Å; L54-L295 HydrophobicContact CD2-CD2 3.72Å; L54-L295 HydrophobicContact CD2-CG 4.14Å; L291-L295 HydrophobicContact CD1-CD1 4.29Å; L291-L295 HydrophobicContact CD1-CG 4.22Å; L291-L295 HydrophobicContact CG-CD1 4.05Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 3.18Å; L292-L295 PolarHBondContact O-N 3.05Å; L295-F298 WeakPolarHBondContact O-CB 3.44Å; L295-F298 PolarHBondContact O-N 2.94Å; L295-L308 HydrophobicContact CB-CD1 4.04Å; L295-L308 HydrophobicContact CB-CD2 4.49Å; L295-L308 HydrophobicContact CD1-CD1 4.35Å; L295-L308 HydrophobicContact CD2-CD1 4.16Å; L295-L308 HydrophobicContact CD2-CD2 4.25Å; L295-L308 HydrophobicContact CG-CD1 4.42Å; L295-L310 HydrophobicContact CD1-CB 4.04Å; L295-L310 HydrophobicContact CD1-CD1 3.97Å; L295-L310 HydrophobicContact CD1-CD2 4.3Å; L295-L310 HydrophobicContact CD1-CG 4.33Å; L295-L341 HydrophobicContact CB-CD2 4.31Å |
| 296 | Q | 93.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 172.4 | -69.8 | 170.9 | 21 | 0 | 0 | 111 | F20 L292 Q293 F298 F299 L341 | F20-Q296 HydrophobicContact CD1-CG 4.33Å; F20-Q296 HydrophobicContact CD2-CG 4.02Å; F20-Q296 HydrophobicContact CE1-CG 4.28Å; F20-Q296 HydrophobicContact CE2-CG 3.96Å; F20-Q296 HydrophobicContact CG-CG 4.22Å; F20-Q296 HydrophobicContact CZ-CG 4.1Å; L292-Q296 WeakPolarHBondContact O-CG 3.18Å; L292-Q296 PolarHBondContact O-N 2.75Å; Q293-Q296 PolarHBondContact O-N 3.48Å; Q296-F298 PolarHBondContact O-N 2.68Å; Q296-F298 VanDerWaalsContact O-N 3.16Å; Q296-F299 PolarHBondContact O-N 3.5Å; Q296-L341 HydrophobicContact CG-CD2 3.72Å |
| 297 | R | 92.4 | Very high | 92 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -66.9 | -11.3 | 176.8 | -69 | 173.8 | 178.9 | 166.8 | 0.8 | 114 | Q293 E294 F299 D300 | Q293-R297 WeakPolarHBondContact O-CG 3.35Å; Q293-R297 PolarHBondContact O-N 3.38Å; E294-R297 PolarHBondContact O-N 2.83Å; E294-R297 WeakPolarHBondContact OE2-CD 3.14Å; E294-R297 IonicContact OE2-NH1 3.04Å; R297-F299 PolarHBondContact O-N 2.88Å; R297-D300 WeakPolarHBondContact CA-OD2 3.12Å; R297-D300 WeakPolarHBondContact CB-OD2 3.41Å; R297-D300 WeakPolarHBondContact O-CB 3.49Å; R297-D300 VanDerWaalsContact O-CG 3.27Å; R297-D300 PolarHBondContact O-N 2.84Å; R297-D300 VanDerWaalsContact O-N 3.13Å |
| 298 | F | 90.9 | Very high | 92 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -58.9 | -31.2 | 175.7 | -175.8 | -98.6 | 0 | 0 | 0 | 112.2 | I44 L54 E294 L295 Q296 K303 T305 L308 | I44-F298 HydrophobicContact CD1-CE2 4.39Å; I44-F298 HydrophobicContact CG2-CE1 3.8Å; I44-F298 HydrophobicContact CG2-CE2 4.38Å; I44-F298 HydrophobicContact CG2-CZ 3.64Å; L54-F298 HydrophobicContact CD1-CD2 4.47Å; E294-F298 PolarHBondContact O-N 3.19Å; L295-F298 WeakPolarHBondContact O-CB 3.44Å; L295-F298 PolarHBondContact O-N 2.94Å; Q296-F298 PolarHBondContact O-N 2.68Å; Q296-F298 VanDerWaalsContact O-N 3.16Å; F298-K303 HydrophobicContact CD1-CG 4.01Å; F298-K303 HydrophobicContact CE1-CB 4.29Å; F298-K303 HydrophobicContact CE1-CD 4.14Å; F298-K303 HydrophobicContact CE1-CG 3.65Å; F298-K303 HydrophobicContact CZ-CD 4.15Å; F298-K303 HydrophobicContact CZ-CG 4.18Å; F298-K303 WeakPolarHBondContact O-CE 3.42Å; F298-K303 WeakPolarHBondContact O-CG 3.45Å; F298-T305 HydrophobicContact CE1-CG2 3.88Å; F298-L308 HydrophobicContact CB-CD2 3.99Å; F298-L308 HydrophobicContact CD1-CD2 3.67Å; F298-L308 HydrophobicContact CE1-CD2 4.41Å; F298-L308 HydrophobicContact CG-CD2 3.98Å |
| 299 | F | 90.4 | Very high | 92 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -88.3 | 0.8 | 179.6 | -65.9 | -69.4 | 0 | 0 | 0 | 114.4 | Q296 R297 E301 T305 L308 L341 K343 | Q296-F299 PolarHBondContact O-N 3.5Å; R297-F299 PolarHBondContact O-N 2.88Å; F299-E301 PolarHBondContact O-N 2.8Å; F299-T305 HydrophobicContact CE1-CG2 4.05Å; F299-L308 HydrophobicContact CD2-CD2 4.45Å; F299-L308 HydrophobicContact CE2-CD2 3.68Å; F299-L308 HydrophobicContact CE2-CG 3.85Å; F299-L308 HydrophobicContact CZ-CD2 3.96Å; F299-L308 HydrophobicContact CZ-CG 4.05Å; F299-L341 HydrophobicContact CE2-CB 4.26Å; F299-K343 HydrophobicContact CD1-CB 3.78Å; F299-K343 HydrophobicContact CE1-CB 4.06Å; F299-K343 HydrophobicContact CG-CB 4.27Å |
| 300 | D | 88.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 49.4 Ų | 49.4 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -62.8 | -30.4 | 175.1 | -66.4 | -12.5 | 0 | 0 | 0 | 111.5 | R297 | R297-D300 WeakPolarHBondContact CA-OD2 3.12Å; R297-D300 WeakPolarHBondContact CB-OD2 3.41Å; R297-D300 WeakPolarHBondContact O-CB 3.49Å; R297-D300 VanDerWaalsContact O-CG 3.27Å; R297-D300 PolarHBondContact O-N 2.84Å; R297-D300 VanDerWaalsContact O-N 3.13Å |
| 301 | E | 86.2 | Confident | 92.1 | Very high | 118 Ų | 118 | 47.4 Ų | 47.4 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -97.8 | 144.4 | 171.8 | -66.9 | 176.9 | 175.6 | 0 | 0 | 110.2 | F299 K303 | F299-E301 PolarHBondContact O-N 2.8Å; E301-K303 WeakPolarHBondContact O-CG 3.47Å; E301-K303 PolarHBondContact O-N 2.81Å; E301-K303 IonicContact OE2-NZ 3.73Å; E301-K303 PolarHBondContact OE2-NZ 2.87Å |
| 302 | P | 85 | Confident | 92.1 | Very high | 137 Ų | 137 | 47.3 Ų | 47.3 | 89% | 0.89 | 24% | 0.24 | S | C | * | . | trans | -56 | 115.4 | 174.7 | -25 | 34 | 0 | 0 | 0 | 111.8 | ||||
| 303 | K | 86.8 | Confident | 92 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | trans | -111.7 | 153.6 | 175.8 | -55.8 | -54.4 | 176.6 | -167.7 | 0 | 111 | F298 E301 T305 | F298-K303 HydrophobicContact CD1-CG 4.01Å; F298-K303 HydrophobicContact CE1-CB 4.29Å; F298-K303 HydrophobicContact CE1-CD 4.14Å; F298-K303 HydrophobicContact CE1-CG 3.65Å; F298-K303 HydrophobicContact CZ-CD 4.15Å; F298-K303 HydrophobicContact CZ-CG 4.18Å; F298-K303 WeakPolarHBondContact O-CE 3.42Å; F298-K303 WeakPolarHBondContact O-CG 3.45Å; E301-K303 WeakPolarHBondContact O-CG 3.47Å; E301-K303 PolarHBondContact O-N 2.81Å; E301-K303 IonicContact OE2-NZ 3.73Å; E301-K303 PolarHBondContact OE2-NZ 2.87Å; K303-T305 HydrophobicContact CB-CG2 4.23Å | ||
| 304 | I | 83.2 | Confident | 91.9 | Very high | 173 Ų | 173 | 47.7 Ų | 47.7 | 89% | 0.887 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -73.9 | -34.3 | 174.6 | -62.4 | 169.6 | 0 | 0 | 0 | 110.4 | ||
| 305 | T | 87.1 | Confident | 91.6 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | trans | -71.5 | 141 | 178.3 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | I44 P45 F298 F299 K303 W307 | I44-T305 HydrophobicContact CG2-CG2 4.42Å; P45-T305 VanDerWaalsContact O-CB 3.25Å; P45-T305 WeakPolarHBondContact O-CB 3.49Å; F298-T305 HydrophobicContact CE1-CG2 3.88Å; F299-T305 HydrophobicContact CE1-CG2 4.05Å; K303-T305 HydrophobicContact CB-CG2 4.23Å; T305-W307 PolarHBondContact OG1-N 2.7Å; T305-W307 PolarHBondContact OG1-O 2.96Å | ||
| 306 | S | 87.8 | Confident | 91.1 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -91.1 | -17.1 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | K343 | S306-K343 PolarHBondContact O-N 3.06Š|
| 307 | W | 94.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 163.2 | -178.6 | 61.5 | -95.6 | 0 | 0 | 0 | 112.2 | P45 C218 L221 F238 W241 T305 V340 L341 F342 | P45-W307 WeakPolarHBondContact CD-O 3.49Å; P45-W307 HydrophobicContact CG-CD2 4.12Å; P45-W307 HydrophobicContact CG-CE3 4.1Å; P45-W307 HydrophobicContact CG-CH2 3.45Å; P45-W307 VanDerWaalsContact CG-CH2 3.45Å; P45-W307 HydrophobicContact CG-CZ2 3.51Å; P45-W307 HydrophobicContact CG-CZ3 3.77Å; C218-W307 HydrophobicContact CB-CZ2 4.19Å; L221-W307 HydrophobicContact CD1-CB 4.45Å; L221-W307 HydrophobicContact CD1-CD2 3.97Å; L221-W307 HydrophobicContact CD1-CG 3.85Å; F238-W307 HydrophobicContact CE2-CE3 4.42Å; F238-W307 AromaticContact CE2-CH2 3.73Å; F238-W307 HydrophobicContact CE2-CH2 3.73Å; F238-W307 AromaticContact CE2-CZ2 3.81Å; F238-W307 HydrophobicContact CE2-CZ2 3.81Å; F238-W307 HydrophobicContact CE2-CZ3 4.04Å; F238-W307 HydrophobicContact CZ-CD2 4.5Å; F238-W307 HydrophobicContact CZ-CE3 4Å; F238-W307 AromaticContact CZ-CH2 3.85Å; F238-W307 HydrophobicContact CZ-CH2 3.85Å; F238-W307 HydrophobicContact CZ-CZ2 4.3Å; F238-W307 AromaticContact CZ-CZ3 3.68Å; F238-W307 HydrophobicContact CZ-CZ3 3.68Å; W241-W307 AromaticContact CH2-CH2 3.76Å; W241-W307 HydrophobicContact CH2-CH2 3.76Å; W241-W307 HydrophobicContact CH2-CZ2 4.09Å; W241-W307 AromaticContact CZ3-CH2 3.63Å; W241-W307 HydrophobicContact CZ3-CH2 3.63Å; W241-W307 HydrophobicContact CZ3-CZ2 4.08Å; T305-W307 PolarHBondContact OG1-N 2.7Å; T305-W307 PolarHBondContact OG1-O 2.96Å; W307-V340 HydrophobicContact CB-CG1 4.2Å; W307-V340 HydrophobicContact CE3-CG1 4.49Å; W307-L341 CarbonylContact C-O 3.6Å; W307-L341 WeakPolarHBondContact CA-O 3.48Å; W307-F342 HydrophobicContact CB-CD1 4.02Å; W307-F342 HydrophobicContact CB-CE1 4.15Å |
| 308 | L | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 161.8 | 163.9 | 61.1 | 81.9 | 0 | 0 | 0 | 108.7 | V43 I44 L295 F298 F299 V340 L341 | V43-L308 WeakPolarHBondContact O-CA 3.5Å; I44-L308 HydrophobicContact CG1-CB 4.24Å; I44-L308 HydrophobicContact CG2-CB 4.42Å; L295-L308 HydrophobicContact CB-CD1 4.04Å; L295-L308 HydrophobicContact CB-CD2 4.49Å; L295-L308 HydrophobicContact CD1-CD1 4.35Å; L295-L308 HydrophobicContact CD2-CD1 4.16Å; L295-L308 HydrophobicContact CD2-CD2 4.25Å; L295-L308 HydrophobicContact CG-CD1 4.42Å; F298-L308 HydrophobicContact CB-CD2 3.99Å; F298-L308 HydrophobicContact CD1-CD2 3.67Å; F298-L308 HydrophobicContact CE1-CD2 4.41Å; F298-L308 HydrophobicContact CG-CD2 3.98Å; F299-L308 HydrophobicContact CD2-CD2 4.45Å; F299-L308 HydrophobicContact CE2-CD2 3.68Å; F299-L308 HydrophobicContact CE2-CG 3.85Å; F299-L308 HydrophobicContact CZ-CD2 3.96Å; F299-L308 HydrophobicContact CZ-CG 4.05Å; L308-V340 CarbonylContact O-C 3.46Å; L308-V340 WeakPolarHBondContact O-CA 3.4Å; L308-L341 HydrophobicContact CD1-CB 3.74Å; L308-L341 HydrophobicContact CD1-CD1 3.65Å; L308-L341 HydrophobicContact CD1-CD2 4.2Å; L308-L341 HydrophobicContact CD1-CG 4.04Å; L308-L341 HydrophobicContact CG-CB 4.04Å; L308-L341 PolarHBondContact N-O 2.89Å; L308-L341 PolarHBondContact O-N 2.77Å |
| 309 | S | 97.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.6 | 178.5 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | V42 V43 L242 L339 | V42-S309 VanDerWaalsContact CA-O 3.28Å; V42-S309 WeakPolarHBondContact CA-O 3.38Å; V43-S309 WeakPolarHBondContact CB-OG 3.47Å; V43-S309 PolarHBondContact N-O 3.03Å; V43-S309 PolarHBondContact O-N 3.46Å; L242-S309 WeakPolarHBondContact CD1-OG 3.46Å; S309-L339 CarbonylContact C-O 3.55Å; S309-L339 WeakPolarHBondContact CA-O 3.49Å |
| 310 | L | 97.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 106.3 | 171.6 | 174.8 | 71.4 | 0 | 0 | 0 | 108.1 | V40 V42 I288 L291 L292 L295 V312 N338 L339 L341 | V40-L310 HydrophobicContact CG1-CD1 3.39Å; V42-L310 HydrophobicContact CG2-CD1 3.7Å; I288-L310 HydrophobicContact CG2-CD2 4.49Å; L291-L310 HydrophobicContact CD2-CD1 3.96Å; L292-L310 HydrophobicContact CB-CD2 4.09Å; L292-L310 HydrophobicContact CD1-CD2 3.94Å; L295-L310 HydrophobicContact CD1-CB 4.04Å; L295-L310 HydrophobicContact CD1-CD1 3.97Å; L295-L310 HydrophobicContact CD1-CD2 4.3Å; L295-L310 HydrophobicContact CD1-CG 4.33Å; L310-V312 HydrophobicContact CD1-CG2 4.45Å; L310-V312 HydrophobicContact CG-CG2 4.16Å; L310-N338 CarbonylContact O-C 3.55Å; L310-N338 WeakPolarHBondContact O-CA 3.27Å; L310-N338 PolarHBondContact O-OD1 2.79Å; L310-L339 HydrophobicContact CB-CB 4.44Å; L310-L339 HydrophobicContact CD2-CD1 4.47Å; L310-L339 PolarHBondContact N-O 2.89Å; L310-L339 PolarHBondContact O-N 3.23Å; L310-L341 HydrophobicContact CB-CD1 4.47Å |
| 311 | T | 97.3 | Very high | 88.7 | Confident | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.8 | 175.7 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | V40 S41 L242 F336 Y337 N338 | V40-T311 CarbonylContact C-O 3.59Å; V40-T311 WeakPolarHBondContact CA-O 3.48Å; S41-T311 PolarHBondContact N-O 3.49Å; S41-T311 PolarHBondContact O-N 3.29Å; L242-T311 WeakPolarHBondContact CD2-OG1 3.39Å; T311-F336 HydrophobicContact CG2-CD2 4.36Å; T311-Y337 WeakPolarHBondContact CA-O 3.05Å; T311-N338 HydrophobicContact CG2-CB 4.25Å; T311-N338 PolarHBondContact OG1-OD1 2.97Å |
| 312 | V | 96.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.3 | -178.8 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | N37 K39 V40 I288 L310 F336 Y337 | N37-V312 HydrophobicContact CB-CG1 4.07Å; N37-V312 WeakPolarHBondContact OD1-CG1 3.31Å; K39-V312 CarbonylContact O-C 3.51Å; K39-V312 WeakPolarHBondContact O-CA 3.32Å; V40-V312 HydrophobicContact CG2-CG1 4.13Å; V40-V312 HydrophobicContact CG2-CG2 4.06Å; I288-V312 HydrophobicContact CD1-CG1 3.9Å; I288-V312 HydrophobicContact CG2-CG2 4.03Å; L310-V312 HydrophobicContact CD1-CG2 4.45Å; L310-V312 HydrophobicContact CG-CG2 4.16Å; V312-F336 CarbonylContact O-C 3.5Å; V312-F336 WeakPolarHBondContact O-CA 3.49Å; V312-F336 VanDerWaalsContact O-CB 3.23Å; V312-F336 WeakPolarHBondContact O-CB 3.35Å; V312-Y337 HydrophobicContact CB-CD1 4.02Å; V312-Y337 HydrophobicContact CB-CD2 4.32Å; V312-Y337 HydrophobicContact CB-CE1 3.54Å; V312-Y337 HydrophobicContact CB-CE2 3.85Å; V312-Y337 HydrophobicContact CB-CG 4.41Å; V312-Y337 VanDerWaalsContact CB-CZ 3.44Å; V312-Y337 HydrophobicContact CG1-CD1 4.5Å; V312-Y337 HydrophobicContact CG1-CE1 3.71Å; V312-Y337 HydrophobicContact CG2-CD2 4.33Å; V312-Y337 HydrophobicContact CG2-CE1 4.14Å; V312-Y337 HydrophobicContact CG2-CE2 3.58Å; V312-Y337 VanDerWaalsContact CG2-CZ 3.48Å; V312-Y337 WeakPolarHBondContact CG2-OH 3.11Å; V312-Y337 PolarHBondContact N-O 2.89Å; V312-Y337 PolarHBondContact O-N 3.2Å |
| 313 | H | 94.1 | Very high | 88 | Confident | 68 Ų | 68 | 30 Ų | 30 | 32% | 0.315 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.8 | 175.1 | -59.8 | -88.4 | 0 | 0 | 0 | 110 | H38 K39 | H38-H313 PolarHBondContact N-O 3.4Å; K39-H313 HydrophobicContact CB-CB 4.32Å; K39-H313 PolarHBondContact N-O 3.32Å; K39-H313 VanDerWaalsContact N-O 3.12Å; K39-H313 PolarHBondContact O-N 3.23Å |
| 314 | G | 92.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H34 F36 N335 | H34-G314 VanDerWaalsContact CE1-CA 3.49Å; H34-G314 WeakPolarHBondContact CE1-CA 3.44Å; F36-G314 WeakPolarHBondContact O-CA 3.18Å; G314-N335 PolarHBondContact N-O 2.9Å |
| 315 | F | 90.4 | Very high | 86.7 | Confident | 29 Ų | 29 | 24.1 Ų | 24.1 | 13% | 0.127 | 13% | 0.133 | C | C | . | . | trans | -72.7 | 132.6 | 167.7 | -76.9 | -96.7 | 0 | 0 | 0 | 110.1 | F36 N37 H38 L93 L178 G281 L282 D317 | F36-F315 HydrophobicContact CB-CD2 3.92Å; F36-F315 PolarHBondContact O-N 2.72Å; F36-F315 VanDerWaalsContact O-N 3.15Å; N37-F315 VanDerWaalsContact O-CE2 3.31Å; N37-F315 WeakPolarHBondContact O-CE2 3.44Å; H38-F315 HydrophobicContact CB-CD1 4.3Å; H38-F315 HydrophobicContact CB-CD2 3.93Å; H38-F315 HydrophobicContact CB-CE1 4.28Å; H38-F315 HydrophobicContact CB-CE2 3.91Å; H38-F315 HydrophobicContact CB-CG 4.14Å; H38-F315 HydrophobicContact CB-CZ 4.09Å; H38-F315 AromaticContact ND1-CE1 3.87Å; H38-F315 AromaticContact ND1-CZ 3.86Å; L93-F315 HydrophobicContact CD2-CB 3.86Å; L93-F315 HydrophobicContact CD2-CD1 3.89Å; L93-F315 HydrophobicContact CD2-CD2 3.9Å; L93-F315 HydrophobicContact CD2-CE1 4.41Å; L93-F315 HydrophobicContact CD2-CE2 4.41Å; L93-F315 HydrophobicContact CD2-CG 3.6Å; L178-F315 HydrophobicContact CD1-CE1 3.8Å; L178-F315 HydrophobicContact CD1-CZ 3.81Å; G281-F315 WeakPolarHBondContact O-CZ 3.33Å; L282-F315 HydrophobicContact CB-CZ 4.45Å; L282-F315 HydrophobicContact CD1-CE2 3.67Å; L282-F315 HydrophobicContact CD1-CZ 4.13Å; F315-D317 VanDerWaalsContact C-N 3.32Å | ||
| 316 | M | 84.1 | Confident | 86.1 | Confident | 111 Ų | 111 | 23.9 Ų | 23.9 | 55% | 0.547 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -37.2 | 176 | -66.6 | -173.6 | -58.8 | 0 | 0 | 112.3 | H327 F329 | M316-H327 PolarHBondContact O-CD2 2.68Å; M316-H327 PolarHBondContact O-NE2 3.05Å; M316-F329 HydrophobicContact CB-CD2 3.94Å; M316-F329 HydrophobicContact CB-CE2 3.79Å; M316-F329 HydrophobicContact CG-CE2 4.25Å; M316-F329 HydrophobicContact SD-CE2 3.92Å |
| 317 | D | 83.1 | Confident | 85.4 | Confident | 48 Ų | 48 | 21.5 Ų | 21.5 | 26% | 0.257 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 26.4 | -177 | -64.2 | -58.1 | 0 | 0 | 0 | 113.2 | T97 S98 I99 T104 F315 | T97-D317 WeakPolarHBondContact O-CB 3.41Å; S98-D317 WeakPolarHBondContact CA-OD1 3.45Å; I99-D317 PolarHBondContact N-OD1 3.4Å; T104-D317 WeakPolarHBondContact CG2-O 3.47Å; F315-D317 VanDerWaalsContact C-N 3.32Å |
| 318 | S | 83.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -79 | 138.4 | 171.7 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F36 I99 V320 H327 | F36-S318 WeakPolarHBondContact CD2-OG 3.21Å; I99-S318 VanDerWaalsContact CD1-O 3.24Å; I99-S318 WeakPolarHBondContact CD1-O 3.43Å; S318-V320 WeakPolarHBondContact CB-O 3.39Å; S318-V320 PolarHBondContact O-N 3.35Å; S318-V320 PolarHBondContact OG-N 3.24Å; S318-V320 PolarHBondContact OG-O 3.37Å; S318-H327 VanDerWaalsContact O-CB 3.29Å; S318-H327 WeakPolarHBondContact O-CB 3.39Å; S318-H327 PolarHBondContact O-CD2 2.88Å | ||
| 319 | P | 79.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -71.7 | -7.6 | 172.9 | 31.4 | -30.9 | 0 | 0 | 0 | 113 | I99 T104 A106 I114 H327 | I99-P319 HydrophobicContact CD1-CB 4.35Å; T104-P319 HydrophobicContact CG2-CB 4.26Å; T104-P319 HydrophobicContact CG2-CG 4.04Å; A106-P319 HydrophobicContact CB-CG 3.37Å; I114-P319 HydrophobicContact CG2-CB 4.23Å; I114-P319 HydrophobicContact CG2-CG 4.39Å; P319-H327 PolarHBondContact O-N 2.85Å; P319-H327 VanDerWaalsContact O-N 3.09Å |
| 320 | V | 81.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 136.8 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | L108 I114 S318 G323 A325 | L108-V320 HydrophobicContact CD2-CG2 4.45Å; I114-V320 HydrophobicContact CB-CG2 4.49Å; I114-V320 HydrophobicContact CD1-CG2 3.36Å; I114-V320 HydrophobicContact CG1-CG2 4.5Å; I114-V320 HydrophobicContact CG2-CG2 4.24Å; S318-V320 WeakPolarHBondContact CB-O 3.39Å; S318-V320 PolarHBondContact O-N 3.35Å; S318-V320 PolarHBondContact OG-N 3.24Å; S318-V320 PolarHBondContact OG-O 3.37Å; V320-G323 WeakPolarHBondContact CG1-O 3.28Å; V320-A325 VanDerWaalsContact CA-O 3.27Å; V320-A325 WeakPolarHBondContact CA-O 3.33Å; V320-A325 WeakPolarHBondContact CG1-O 3.4Å |
| 321 | S | 78.1 | Confident | 78.1 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -102.5 | -87.4 | 174.3 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | A325 H327 | S321-A325 PolarHBondContact N-O 3.12Å; S321-H327 WeakPolarHBondContact CB-ND1 3.42Å |
| 322 | W | 77.6 | Confident | 76.2 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -101.3 | 115.2 | -174.8 | -65.2 | 97.8 | 0 | 0 | 0 | 111.5 | H30 H34 D324 A325 N335 Y337 M351 P360 | H30-W322 HydrophobicContact CB-CZ3 4.25Å; H30-W322 WeakPolarHBondContact O-CZ3 3.34Å; H34-W322 HydrophobicContact CB-CE3 3.97Å; H34-W322 HydrophobicContact CB-CH2 4.34Å; H34-W322 HydrophobicContact CB-CZ3 3.74Å; H34-W322 AromaticContact CD2-CD2 3.94Å; H34-W322 AromaticContact CD2-CE2 3.85Å; H34-W322 AromaticContact CD2-CE3 3.94Å; H34-W322 AromaticContact CD2-CH2 3.89Å; H34-W322 AromaticContact CD2-CZ2 3.83Å; H34-W322 AromaticContact CD2-CZ3 3.93Å; W322-D324 PolarHBondContact O-N 3.16Å; W322-A325 WeakPolarHBondContact O-CB 3.28Å; W322-A325 PolarHBondContact O-N 3.46Å; W322-N335 PolarHBondContact NE1-OD1 3.22Å; W322-Y337 AromaticContact CH2-CD1 3.32Å; W322-Y337 HydrophobicContact CH2-CD1 3.32Å; W322-Y337 HydrophobicContact CH2-CE1 4.16Å; W322-Y337 AromaticContact CH2-CG 3.71Å; W322-Y337 HydrophobicContact CH2-CG 3.71Å; W322-Y337 AromaticContact CZ2-CD1 3.99Å; W322-Y337 HydrophobicContact CZ2-CD1 3.99Å; W322-Y337 HydrophobicContact CZ2-CG 4.41Å; W322-Y337 HydrophobicContact CZ3-CD1 4.14Å; W322-M351 HydrophobicContact CH2-CG 4.31Å; W322-M351 HydrophobicContact CH2-SD 4.47Å; W322-M351 HydrophobicContact CZ2-CG 4.21Å; W322-P360 HydrophobicContact CB-CG 3.99Å; W322-P360 HydrophobicContact CD2-CG 3.75Å; W322-P360 HydrophobicContact CE3-CG 3.78Å; W322-P360 HydrophobicContact CG-CG 3.86Å; W322-P360 HydrophobicContact CZ3-CG 4.44Å |
| 323 | G | 78.3 | Confident | 74.4 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -117.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K33 Y35 V320 | K33-G323 PolarHBondContact O-N 3.22Å; Y35-G323 WeakPolarHBondContact CD2-O 3.47Å; Y35-G323 WeakPolarHBondContact CE2-O 3.46Å; V320-G323 WeakPolarHBondContact CG1-O 3.28Å |
| 324 | D | 68.8 | Low | 73.2 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 62% | 0.62 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 12.1 | 175.6 | 66.7 | -20.9 | 0 | 0 | 0 | 112.6 | W322 E326 | W322-D324 PolarHBondContact O-N 3.16Å; D324-E326 PolarHBondContact O-N 3.09Å |
| 325 | A | 75 | Confident | 72.8 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 127.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V320 S321 W322 H327 R358 | V320-A325 VanDerWaalsContact CA-O 3.27Å; V320-A325 WeakPolarHBondContact CA-O 3.33Å; V320-A325 WeakPolarHBondContact CG1-O 3.4Å; S321-A325 PolarHBondContact N-O 3.12Å; W322-A325 WeakPolarHBondContact O-CB 3.28Å; W322-A325 PolarHBondContact O-N 3.46Å; A325-H327 PolarHBondContact O-N 3.04Å; A325-R358 HydrophobicContact CB-CB 4.14Å |
| 326 | E | 74.6 | Confident | 72.9 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -59.1 | 132.2 | 173.8 | -160.7 | -172.1 | 160.1 | 0 | 0 | 109.7 | S132 Q133 Y134 V143 D324 | S132-E326 WeakPolarHBondContact CA-OE1 3.39Å; S132-E326 WeakPolarHBondContact CB-OE1 3.49Å; S132-E326 PolarHBondContact OG-OE1 3.13Å; Q133-E326 WeakPolarHBondContact CG-OE2 3.48Å; Q133-E326 PolarHBondContact N-OE1 3.31Å; Q133-E326 VanDerWaalsContact N-OE1 3.16Å; Q133-E326 PolarHBondContact N-OE2 2.8Å; Q133-E326 VanDerWaalsContact N-OE2 3.14Å; Q133-E326 PolarHBondContact NE2-OE2 3.22Å; Y134-E326 HydrophobicContact CD2-CG 4.08Å; Y134-E326 WeakPolarHBondContact CD2-OE1 3.21Å; Y134-E326 HydrophobicContact CE2-CB 3.87Å; Y134-E326 HydrophobicContact CE2-CG 3.62Å; Y134-E326 PolarHBondContact OH-O 2.94Å; V143-E326 HydrophobicContact CG2-CG 3.99Å; V143-E326 WeakPolarHBondContact CG2-OE1 3.45Å; D324-E326 PolarHBondContact O-N 3.09Å |
| 327 | H | 71.3 | Confident | 73.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 139.8 | 177 | -171.7 | 63.6 | 0 | 0 | 0 | 110.6 | I99 Y134 M316 S318 P319 S321 A325 D357 | I99-H327 WeakPolarHBondContact CD1-O 3.31Å; Y134-H327 VanDerWaalsContact CE2-C 3.43Å; M316-H327 PolarHBondContact O-CD2 2.68Å; M316-H327 PolarHBondContact O-NE2 3.05Å; S318-H327 VanDerWaalsContact O-CB 3.29Å; S318-H327 WeakPolarHBondContact O-CB 3.39Å; S318-H327 PolarHBondContact O-CD2 2.88Å; P319-H327 PolarHBondContact O-N 2.85Å; P319-H327 VanDerWaalsContact O-N 3.09Å; S321-H327 WeakPolarHBondContact CB-ND1 3.42Å; A325-H327 PolarHBondContact O-N 3.04Å; H327-D357 WeakPolarHBondContact CA-OD1 3.37Å; H327-D357 IonicContact CE1-OD2 3.08Å; H327-D357 PolarHBondContact CE1-OD2 3.31Å; H327-D357 IonicContact ND1-OD1 3.98Å; H327-D357 PolarHBondContact ND1-OD1 3.43Å; H327-D357 IonicContact ND1-OD2 3.15Å; H327-D357 PolarHBondContact ND1-OD2 3.27Å |
| 328 | G | 63 | Low | 74 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | trans | -124 | 138.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D357 | G328-D357 PolarHBondContact N-OD1 3.12Š| ||
| 329 | F | 59.2 | Low | 74.6 | Confident | 57 Ų | 57 | 30.6 Ų | 30.6 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | trans | -92.5 | -43.7 | 179.8 | -174.7 | -94.5 | 0 | 0 | 0 | 112.5 | I99 D100 M316 K331 G332 G333 | I99-F329 HydrophobicContact CG2-CB 3.4Å; I99-F329 HydrophobicContact CG2-CG 4.43Å; D100-F329 WeakPolarHBondContact OD2-CB 3.09Å; D100-F329 WeakPolarHBondContact OD2-CD1 3.35Å; M316-F329 HydrophobicContact CB-CD2 3.94Å; M316-F329 HydrophobicContact CB-CE2 3.79Å; M316-F329 HydrophobicContact CG-CE2 4.25Å; M316-F329 HydrophobicContact SD-CE2 3.92Å; F329-K331 PolarHBondContact O-N 2.73Å; F329-G332 CarbonylContact O-C 3.57Å; F329-G332 WeakPolarHBondContact O-CA 3.49Å; F329-G332 PolarHBondContact O-N 2.89Å; F329-G333 PolarHBondContact O-N 2.51Å | ||
| 330 | H | 61.6 | Low | 75.5 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 27% | 0.269 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 39.3 | -99.5 | 176.9 | -74.9 | -47.3 | 0 | 0 | 0 | 114.9 | D100 Y134 H356 | D100-H330 PolarHBondContact OD2-N 3.31Å; Y134-H330 WeakPolarHBondContact CA-NE2 3.34Å; Y134-H330 VanDerWaalsContact CB-NE2 3.31Å; Y134-H330 WeakPolarHBondContact CB-NE2 3.33Å; Y134-H330 AromaticContact CD1-CD2 3.72Å; Y134-H330 AromaticContact CD1-NE2 3.56Å; Y134-H330 AromaticContact CG-NE2 3.89Å; H330-H356 AromaticContact CD2-CD2 3.55Å; H330-H356 AromaticContact NE2-CD2 3.96Å |
| 331 | K | 49.6 | Very low | 76.2 | Confident | 185 Ų | 185 | 30.4 Ų | 30.4 | 80% | 0.804 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -3.1 | 177.1 | -70.5 | -172.3 | 177.8 | -176.8 | 0 | 113.3 | F329 | F329-K331 PolarHBondContact O-N 2.73Š|
| 332 | G | 57.3 | Low | 77 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | trans | -178.2 | 115.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F329 E334 | F329-G332 CarbonylContact O-C 3.57Å; F329-G332 WeakPolarHBondContact O-CA 3.49Å; F329-G332 PolarHBondContact O-N 2.89Å; G332-E334 VanDerWaalsContact C-N 3.28Å; G332-E334 PolarHBondContact O-N 3.48Å | ||
| 333 | G | 59.9 | Low | 77.6 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | trans | -91.7 | 51 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F329 N335 | F329-G333 PolarHBondContact O-N 2.51Å; G333-N335 PolarHBondContact O-N 3.27Å; G333-N335 VanDerWaalsContact O-N 3.11Å | ||
| 334 | E | 68.4 | Low | 78.2 | Confident | 87 Ų | 87 | 40.4 Ų | 40.4 | 41% | 0.407 | 20% | 0.202 | S | C | . | . | trans | -59.4 | 113.5 | 178.6 | -66.2 | 174.7 | 165.1 | 0 | 0 | 109.6 | G332 T353 G354 | G332-E334 VanDerWaalsContact C-N 3.28Å; G332-E334 PolarHBondContact O-N 3.48Å; E334-T353 CarbonylContact O-C 3.47Å; E334-T353 WeakPolarHBondContact O-CA 3.4Å; E334-G354 PolarHBondContact O-N 2.99Å | ||
| 335 | N | 84.2 | Confident | 79.3 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 88.5 | 174.4 | -176.4 | 25.7 | 0 | 0 | 0 | 107.8 | H34 G314 W322 G333 | H34-N335 VanDerWaalsContact NE2-CG 3.31Å; H34-N335 PolarHBondContact NE2-ND2 2.91Å; H34-N335 VanDerWaalsContact NE2-ND2 3.19Å; H34-N335 PolarHBondContact NE2-OD1 2.92Å; G314-N335 PolarHBondContact N-O 2.9Å; W322-N335 PolarHBondContact NE1-OD1 3.22Å; G333-N335 PolarHBondContact O-N 3.27Å; G333-N335 VanDerWaalsContact O-N 3.11Å |
| 336 | F | 91.9 | Very high | 80.3 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 159.8 | 179.1 | 78.3 | -89 | 0 | 0 | 0 | 111.7 | L239 T311 V312 G352 | L239-F336 HydrophobicContact CD1-CE2 4.16Å; L239-F336 HydrophobicContact CD2-CE2 4.05Å; L239-F336 HydrophobicContact CD2-CZ 4.01Å; T311-F336 HydrophobicContact CG2-CD2 4.36Å; V312-F336 CarbonylContact O-C 3.5Å; V312-F336 WeakPolarHBondContact O-CA 3.49Å; V312-F336 VanDerWaalsContact O-CB 3.23Å; V312-F336 WeakPolarHBondContact O-CB 3.35Å; F336-G352 PolarHBondContact N-O 2.86Å; F336-G352 PolarHBondContact O-N 3.25Å |
| 337 | Y | 94.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.4 | 164.8 | 61.9 | -84.4 | 0 | 0 | 0 | 111.5 | V31 H34 T311 V312 W322 L339 L349 H350 | V31-Y337 HydrophobicContact CG2-CE2 4.11Å; H34-Y337 HydrophobicContact CB-CE1 3.93Å; H34-Y337 AromaticContact CG-CE1 3.77Å; H34-Y337 AromaticContact ND1-CE1 3.82Å; T311-Y337 WeakPolarHBondContact CA-O 3.05Å; V312-Y337 HydrophobicContact CB-CD1 4.02Å; V312-Y337 HydrophobicContact CB-CD2 4.32Å; V312-Y337 HydrophobicContact CB-CE1 3.54Å; V312-Y337 HydrophobicContact CB-CE2 3.85Å; V312-Y337 HydrophobicContact CB-CG 4.41Å; V312-Y337 VanDerWaalsContact CB-CZ 3.44Å; V312-Y337 HydrophobicContact CG1-CD1 4.5Å; V312-Y337 HydrophobicContact CG1-CE1 3.71Å; V312-Y337 HydrophobicContact CG2-CD2 4.33Å; V312-Y337 HydrophobicContact CG2-CE1 4.14Å; V312-Y337 HydrophobicContact CG2-CE2 3.58Å; V312-Y337 VanDerWaalsContact CG2-CZ 3.48Å; V312-Y337 WeakPolarHBondContact CG2-OH 3.11Å; V312-Y337 PolarHBondContact N-O 2.89Å; V312-Y337 PolarHBondContact O-N 3.2Å; W322-Y337 AromaticContact CH2-CD1 3.32Å; W322-Y337 HydrophobicContact CH2-CD1 3.32Å; W322-Y337 HydrophobicContact CH2-CE1 4.16Å; W322-Y337 AromaticContact CH2-CG 3.71Å; W322-Y337 HydrophobicContact CH2-CG 3.71Å; W322-Y337 AromaticContact CZ2-CD1 3.99Å; W322-Y337 HydrophobicContact CZ2-CD1 3.99Å; W322-Y337 HydrophobicContact CZ2-CG 4.41Å; W322-Y337 HydrophobicContact CZ3-CD1 4.14Å; Y337-L339 HydrophobicContact CD2-CG 4.49Å; Y337-L339 HydrophobicContact CE2-CD1 4.41Å; Y337-L349 HydrophobicContact CD2-CD1 4.45Å; Y337-H350 CarbonylContact C-O 3.29Å; Y337-H350 WeakPolarHBondContact CA-O 3.35Å; Y337-H350 WeakPolarHBondContact CB-O 3.41Å |
| 338 | N | 96.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 123.2 | 176 | 176.4 | 54.9 | 0 | 0 | 0 | 110.2 | L239 L310 T311 V340 L349 H350 | L239-N338 HydrophobicContact CD1-CB 3.79Å; L310-N338 CarbonylContact O-C 3.55Å; L310-N338 WeakPolarHBondContact O-CA 3.27Å; L310-N338 PolarHBondContact O-OD1 2.79Å; T311-N338 HydrophobicContact CG2-CB 4.25Å; T311-N338 PolarHBondContact OG1-OD1 2.97Å; N338-V340 WeakPolarHBondContact ND2-CG2 3.48Å; N338-L349 WeakPolarHBondContact O-CA 3.49Å; N338-H350 HydrophobicContact CB-CB 4.12Å; N338-H350 PolarHBondContact N-O 2.89Å; N338-H350 PolarHBondContact ND2-ND1 3.45Å; N338-H350 PolarHBondContact O-N 3.3Å; N338-H350 PolarHBondContact O-ND1 3.27Å |
| 339 | L | 96.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120 | 171.3 | -72.7 | 166.7 | 0 | 0 | 0 | 109.1 | V31 L292 S309 L310 Y337 L341 Y347 W348 L349 | V31-L339 HydrophobicContact CG2-CD1 4.44Å; L292-L339 HydrophobicContact CD1-CD1 3.83Å; L292-L339 HydrophobicContact CD2-CD1 3.79Å; L292-L339 HydrophobicContact CG-CD1 4.47Å; S309-L339 CarbonylContact C-O 3.55Å; S309-L339 WeakPolarHBondContact CA-O 3.49Å; L310-L339 HydrophobicContact CB-CB 4.44Å; L310-L339 HydrophobicContact CD2-CD1 4.47Å; L310-L339 PolarHBondContact N-O 2.89Å; L310-L339 PolarHBondContact O-N 3.23Å; Y337-L339 HydrophobicContact CD2-CG 4.49Å; Y337-L339 HydrophobicContact CE2-CD1 4.41Å; L339-L341 HydrophobicContact CB-CD1 3.87Å; L339-Y347 HydrophobicContact CD2-CD2 3.51Å; L339-Y347 HydrophobicContact CD2-CE2 3.89Å; L339-Y347 HydrophobicContact CD2-CG 4.27Å; L339-W348 CarbonylContact C-O 3.56Å; L339-W348 VanDerWaalsContact CA-O 3.29Å; L339-W348 WeakPolarHBondContact CA-O 3.35Å; L339-L349 HydrophobicContact CD2-CB 4.03Å; L339-L349 HydrophobicContact CD2-CD1 3.79Å; L339-L349 HydrophobicContact CD2-CG 4.47Å; L339-L349 HydrophobicContact CG-CD1 4.22Å |
| 340 | V | 96.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.5 | 167.7 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | L221 F238 W307 L308 N338 F342 Y347 W348 | L221-V340 HydrophobicContact CD1-CG1 3.86Å; F238-V340 HydrophobicContact CD1-CG2 4.03Å; F238-V340 HydrophobicContact CE1-CG1 4.31Å; F238-V340 HydrophobicContact CE1-CG2 3.45Å; F238-V340 VanDerWaalsContact CE1-CG2 3.45Å; F238-V340 HydrophobicContact CZ-CG2 4.34Å; W307-V340 HydrophobicContact CB-CG1 4.2Å; W307-V340 HydrophobicContact CE3-CG1 4.49Å; L308-V340 CarbonylContact O-C 3.46Å; L308-V340 WeakPolarHBondContact O-CA 3.4Å; N338-V340 WeakPolarHBondContact ND2-CG2 3.48Å; V340-F342 HydrophobicContact CB-CE2 4.38Å; V340-F342 HydrophobicContact CG1-CE1 4.48Å; V340-F342 HydrophobicContact CG1-CE2 4.05Å; V340-F342 HydrophobicContact CG1-CZ 3.92Å; V340-Y347 CarbonylContact O-C 3.51Å; V340-Y347 WeakPolarHBondContact O-CA 3.22Å; V340-Y347 VanDerWaalsContact O-CB 3.32Å; V340-Y347 WeakPolarHBondContact O-CB 3.06Å; V340-W348 HydrophobicContact CB-CB 4.1Å; V340-W348 HydrophobicContact CB-CE3 4.45Å; V340-W348 HydrophobicContact CG2-CB 4.35Å; V340-W348 HydrophobicContact CG2-CE3 4.37Å; V340-W348 PolarHBondContact N-O 3.03Å; V340-W348 PolarHBondContact O-N 3.41Å |
| 341 | L | 96.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.4 | -177.2 | -69.3 | 83.8 | 0 | 0 | 0 | 109.4 | F20 L292 L295 Q296 F299 W307 L308 L310 L339 | F20-L341 HydrophobicContact CE2-CB 4.37Å; F20-L341 HydrophobicContact CE2-CD2 3.65Å; F20-L341 HydrophobicContact CE2-CG 3.74Å; F20-L341 HydrophobicContact CZ-CD2 3.64Å; F20-L341 HydrophobicContact CZ-CG 3.7Å; L292-L341 HydrophobicContact CD1-CD1 4.12Å; L292-L341 HydrophobicContact CD1-CD2 3.9Å; L292-L341 HydrophobicContact CD1-CG 4.5Å; L295-L341 HydrophobicContact CB-CD2 4.31Å; Q296-L341 HydrophobicContact CG-CD2 3.72Å; F299-L341 HydrophobicContact CE2-CB 4.26Å; W307-L341 CarbonylContact C-O 3.6Å; W307-L341 WeakPolarHBondContact CA-O 3.48Å; L308-L341 HydrophobicContact CD1-CB 3.74Å; L308-L341 HydrophobicContact CD1-CD1 3.65Å; L308-L341 HydrophobicContact CD1-CD2 4.2Å; L308-L341 HydrophobicContact CD1-CG 4.04Å; L308-L341 HydrophobicContact CG-CB 4.04Å; L308-L341 PolarHBondContact N-O 2.89Å; L308-L341 PolarHBondContact O-N 2.77Å; L310-L341 HydrophobicContact CB-CD1 4.47Å; L339-L341 HydrophobicContact CB-CD1 3.87Å |
| 342 | F | 94.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 156 | 177.2 | -63.1 | -86.7 | 0 | 0 | 0 | 111.5 | L221 A223 W307 V340 N344 Q345 D346 W348 | L221-F342 HydrophobicContact CB-CE1 3.71Å; L221-F342 HydrophobicContact CB-CZ 4.15Å; L221-F342 HydrophobicContact CD1-CE1 4.23Å; L221-F342 HydrophobicContact CD1-CZ 4.24Å; A223-F342 HydrophobicContact CB-CB 4.27Å; A223-F342 HydrophobicContact CB-CD1 3.96Å; A223-F342 HydrophobicContact CB-CD2 3.65Å; A223-F342 HydrophobicContact CB-CE1 4.17Å; A223-F342 HydrophobicContact CB-CE2 3.9Å; A223-F342 HydrophobicContact CB-CG 3.69Å; A223-F342 HydrophobicContact CB-CZ 4.15Å; W307-F342 HydrophobicContact CB-CD1 4.02Å; W307-F342 HydrophobicContact CB-CE1 4.15Å; V340-F342 HydrophobicContact CB-CE2 4.38Å; V340-F342 HydrophobicContact CG1-CE1 4.48Å; V340-F342 HydrophobicContact CG1-CE2 4.05Å; V340-F342 HydrophobicContact CG1-CZ 3.92Å; F342-N344 WeakPolarHBondContact CB-OD1 3.38Å; F342-N344 PolarHBondContact O-N 2.93Å; F342-Q345 PolarHBondContact O-N 3Å; F342-Q345 VanDerWaalsContact O-N 3.13Å; F342-D346 HydrophobicContact CB-CB 4.38Å; F342-D346 HydrophobicContact CD2-CB 4.28Å; F342-D346 WeakPolarHBondContact CD2-O 3.48Å; F342-D346 PolarHBondContact N-O 2.89Å; F342-W348 AromaticContact CE2-CD1 3.77Å; F342-W348 AromaticContact CE2-CD2 3.82Å; F342-W348 HydrophobicContact CE2-CD2 3.82Å; F342-W348 AromaticContact CE2-CE2 3.88Å; F342-W348 HydrophobicContact CE2-CE3 4.49Å; F342-W348 AromaticContact CE2-CG 3.82Å; F342-W348 HydrophobicContact CE2-CG 3.82Å; F342-W348 AromaticContact CE2-NE1 3.77Å; F342-W348 AromaticContact CZ-CD2 3.81Å; F342-W348 HydrophobicContact CZ-CD2 3.81Å; F342-W348 AromaticContact CZ-CE2 3.73Å; F342-W348 HydrophobicContact CZ-CE3 4.13Å; F342-W348 HydrophobicContact CZ-CG 4.31Å; F342-W348 HydrophobicContact CZ-CH2 4.39Å; F342-W348 HydrophobicContact CZ-CZ2 4.07Å; F342-W348 HydrophobicContact CZ-CZ3 4.4Å |
| 343 | K | 91.3 | Very high | 89.4 | Confident | 147 Ų | 147 | 21.4 Ų | 21.4 | 64% | 0.639 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.8 | 179.5 | 67 | 176.2 | -178 | 178.4 | 0 | 115.5 | F299 S306 | F299-K343 HydrophobicContact CD1-CB 3.78Å; F299-K343 HydrophobicContact CE1-CB 4.06Å; F299-K343 HydrophobicContact CG-CB 4.27Å; S306-K343 PolarHBondContact O-N 3.06Å |
| 344 | N | 90.8 | Very high | 89.7 | Confident | 80 Ų | 80 | 21.2 Ų | 21.2 | 43% | 0.428 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 19.7 | -177.2 | 66.8 | -31.3 | 0 | 0 | 0 | 112.9 | N19 F342 D346 | N19-N344 PolarHBondContact ND2-O 3.32Å; F342-N344 WeakPolarHBondContact CB-OD1 3.38Å; F342-N344 PolarHBondContact O-N 2.93Å; N344-D346 VanDerWaalsContact ND2-CG 3.28Å; N344-D346 PolarHBondContact ND2-OD2 3.48Å; N344-D346 PolarHBondContact O-N 3.49Å; N344-D346 VanDerWaalsContact O-N 3.14Å; N344-D346 WeakPolarHBondContact OD1-CB 3.35Å; N344-D346 PolarHBondContact OD1-N 3.38Å |
| 345 | Q | 91.9 | Very high | 89.4 | Confident | 37 Ų | 37 | 18.6 Ų | 18.6 | 17% | 0.173 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 65.7 | 4.6 | -176.1 | -55.7 | -63.7 | -20.5 | 0 | 0 | 114.9 | N19 F20 F342 | N19-Q345 CarbonylContact C-O 3.53Å; N19-Q345 WeakPolarHBondContact CA-O 3.47Å; N19-Q345 VanDerWaalsContact ND2-C 3.35Å; N19-Q345 PolarHBondContact ND2-O 3.29Å; F20-Q345 WeakPolarHBondContact CD2-O 3.25Å; F20-Q345 PolarHBondContact N-O 2.89Å; F342-Q345 PolarHBondContact O-N 3Å; F342-Q345 VanDerWaalsContact O-N 3.13Å |
| 346 | D | 94.9 | Very high | 88.3 | Confident | 27 Ų | 27 | 23 Ų | 23 | 14% | 0.144 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 152.2 | 167.3 | -69 | -14.8 | 0 | 0 | 0 | 109.9 | S18 N19 A223 F342 N344 | S18-D346 WeakPolarHBondContact O-CA 3.26Å; N19-D346 PolarHBondContact ND2-OD1 3.32Å; A223-D346 HydrophobicContact CB-CB 3.84Å; F342-D346 HydrophobicContact CB-CB 4.38Å; F342-D346 HydrophobicContact CD2-CB 4.28Å; F342-D346 WeakPolarHBondContact CD2-O 3.48Å; F342-D346 PolarHBondContact N-O 2.89Å; N344-D346 VanDerWaalsContact ND2-CG 3.28Å; N344-D346 PolarHBondContact ND2-OD2 3.48Å; N344-D346 PolarHBondContact O-N 3.49Å; N344-D346 VanDerWaalsContact O-N 3.14Å; N344-D346 WeakPolarHBondContact OD1-CB 3.35Å; N344-D346 PolarHBondContact OD1-N 3.38Å |
| 347 | Y | 95.5 | Very high | 87 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.2 | 169.7 | 69.1 | -92.4 | 0 | 0 | 0 | 112.7 | K17 S18 F20 S25 H27 L339 V340 L349 | K17-Y347 WeakPolarHBondContact CA-O 3.35Å; S18-Y347 VanDerWaalsContact CB-CZ 3.41Å; S18-Y347 VanDerWaalsContact CB-OH 3.31Å; S18-Y347 WeakPolarHBondContact CB-OH 3.4Å; S18-Y347 PolarHBondContact N-O 3.41Å; S18-Y347 VanDerWaalsContact N-O 3.09Å; S18-Y347 PolarHBondContact O-N 3.42Å; S18-Y347 PolarHBondContact OG-OH 2.93Å; F20-Y347 AromaticContact CD1-CD1 3.8Å; F20-Y347 HydrophobicContact CD1-CD1 3.8Å; F20-Y347 AromaticContact CD1-CE1 3.97Å; F20-Y347 HydrophobicContact CD1-CE1 3.97Å; F20-Y347 AromaticContact CD2-CD1 3.99Å; F20-Y347 HydrophobicContact CD2-CD1 3.99Å; F20-Y347 AromaticContact CE1-CD1 3.61Å; F20-Y347 HydrophobicContact CE1-CD1 3.61Å; F20-Y347 AromaticContact CE1-CE1 4Å; F20-Y347 HydrophobicContact CE1-CE1 4Å; F20-Y347 HydrophobicContact CE1-CG 4.12Å; F20-Y347 AromaticContact CE2-CD1 3.8Å; F20-Y347 HydrophobicContact CE2-CD1 3.8Å; F20-Y347 HydrophobicContact CE2-CG 4.13Å; F20-Y347 AromaticContact CG-CD1 3.98Å; F20-Y347 HydrophobicContact CG-CD1 3.98Å; F20-Y347 HydrophobicContact CG-CE1 4.39Å; F20-Y347 AromaticContact CZ-CD1 3.6Å; F20-Y347 HydrophobicContact CZ-CD1 3.6Å; F20-Y347 HydrophobicContact CZ-CE1 4.44Å; F20-Y347 AromaticContact CZ-CG 3.79Å; F20-Y347 HydrophobicContact CZ-CG 3.79Å; S25-Y347 WeakPolarHBondContact OG-CE1 3.48Å; S25-Y347 PolarHBondContact OG-OH 3.04Å; H27-Y347 HydrophobicContact CB-CE1 4.24Å; H27-Y347 HydrophobicContact CB-CE2 4.46Å; L339-Y347 HydrophobicContact CD2-CD2 3.51Å; L339-Y347 HydrophobicContact CD2-CE2 3.89Å; L339-Y347 HydrophobicContact CD2-CG 4.27Å; V340-Y347 CarbonylContact O-C 3.51Å; V340-Y347 WeakPolarHBondContact O-CA 3.22Å; V340-Y347 VanDerWaalsContact O-CB 3.32Å; V340-Y347 WeakPolarHBondContact O-CB 3.06Å; Y347-L349 HydrophobicContact CD2-CB 4.19Å; Y347-L349 HydrophobicContact CE2-CB 3.95Å |
| 348 | W | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.3 | 161.7 | -61.2 | -16.7 | 0 | 0 | 0 | 109.7 | E16 L221 N222 A223 D225 L226 P235 L339 V340 F342 | E16-W348 CarbonylContact O-C 3.58Å; E16-W348 VanDerWaalsContact O-CA 3.3Å; E16-W348 WeakPolarHBondContact O-CA 3.36Å; L221-W348 HydrophobicContact CB-CH2 4.42Å; L221-W348 HydrophobicContact CD1-CZ3 4.16Å; L221-W348 HydrophobicContact CD2-CH2 4.09Å; L221-W348 HydrophobicContact CD2-CZ3 3.88Å; L221-W348 HydrophobicContact CG-CZ3 4.45Å; N222-W348 WeakPolarHBondContact O-CZ2 3.38Å; A223-W348 PolarHBondContact O-NE1 3.27Å; D225-W348 WeakPolarHBondContact O-CZ2 3.38Å; L226-W348 HydrophobicContact CD2-CD2 4.3Å; L226-W348 HydrophobicContact CD2-CG 4.28Å; L226-W348 HydrophobicContact CD2-CZ2 4.32Å; P235-W348 HydrophobicContact CB-CE3 3.95Å; P235-W348 HydrophobicContact CB-CH2 4.47Å; P235-W348 HydrophobicContact CB-CZ3 3.94Å; P235-W348 HydrophobicContact CG-CD2 4.38Å; P235-W348 HydrophobicContact CG-CE3 4.12Å; P235-W348 HydrophobicContact CG-CH2 3.94Å; P235-W348 HydrophobicContact CG-CZ2 4.21Å; P235-W348 HydrophobicContact CG-CZ3 3.91Å; L339-W348 CarbonylContact C-O 3.56Å; L339-W348 VanDerWaalsContact CA-O 3.29Å; L339-W348 WeakPolarHBondContact CA-O 3.35Å; V340-W348 HydrophobicContact CB-CB 4.1Å; V340-W348 HydrophobicContact CB-CE3 4.45Å; V340-W348 HydrophobicContact CG2-CB 4.35Å; V340-W348 HydrophobicContact CG2-CE3 4.37Å; V340-W348 PolarHBondContact N-O 3.03Å; V340-W348 PolarHBondContact O-N 3.41Å; F342-W348 AromaticContact CE2-CD1 3.77Å; F342-W348 AromaticContact CE2-CD2 3.82Å; F342-W348 HydrophobicContact CE2-CD2 3.82Å; F342-W348 AromaticContact CE2-CE2 3.88Å; F342-W348 HydrophobicContact CE2-CE3 4.49Å; F342-W348 AromaticContact CE2-CG 3.82Å; F342-W348 HydrophobicContact CE2-CG 3.82Å; F342-W348 AromaticContact CE2-NE1 3.77Å; F342-W348 AromaticContact CZ-CD2 3.81Å; F342-W348 HydrophobicContact CZ-CD2 3.81Å; F342-W348 AromaticContact CZ-CE2 3.73Å; F342-W348 HydrophobicContact CZ-CE3 4.13Å; F342-W348 HydrophobicContact CZ-CG 4.31Å; F342-W348 HydrophobicContact CZ-CH2 4.39Å; F342-W348 HydrophobicContact CZ-CZ2 4.07Å; F342-W348 HydrophobicContact CZ-CZ3 4.4Å |
| 349 | L | 94.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.3 | 172.3 | 172.3 | 63.2 | 0 | 0 | 0 | 108.5 | C15 E16 H30 Y337 N338 L339 Y347 M351 | C15-L349 CarbonylContact C-O 3.5Å; C15-L349 WeakPolarHBondContact CA-O 3.11Å; E16-L349 HydrophobicContact CB-CB 4.46Å; E16-L349 PolarHBondContact N-O 3.02Å; E16-L349 PolarHBondContact O-N 3.08Å; H30-L349 HydrophobicContact CB-CD2 4.47Å; H30-L349 VanDerWaalsContact CD2-CD2 3.4Å; H30-L349 WeakPolarHBondContact CD2-CD2 3.34Å; Y337-L349 HydrophobicContact CD2-CD1 4.45Å; N338-L349 WeakPolarHBondContact O-CA 3.49Å; L339-L349 HydrophobicContact CD2-CB 4.03Å; L339-L349 HydrophobicContact CD2-CD1 3.79Å; L339-L349 HydrophobicContact CD2-CG 4.47Å; L339-L349 HydrophobicContact CG-CD1 4.22Å; Y347-L349 HydrophobicContact CD2-CB 4.19Å; Y347-L349 HydrophobicContact CE2-CB 3.95Å; L349-M351 HydrophobicContact CD1-CG 4.09Å; L349-M351 HydrophobicContact CD2-CE 4.01Å; L349-M351 HydrophobicContact CD2-CG 4.33Å; L349-M351 HydrophobicContact CD2-SD 4.04Å; L349-M351 HydrophobicContact CG-CE 4.37Å; L349-M351 HydrophobicContact CG-CG 4.02Å; L349-M351 HydrophobicContact CG-SD 4.38Å |
| 350 | H | 93 | Very high | 82.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.6 | 167.1 | -51.6 | 82.1 | 0 | 0 | 0 | 108.7 | L13 V14 C15 P235 L239 Y337 N338 | L13-H350 HydrophobicContact CD1-CB 4.33Å; V14-H350 CarbonylContact O-C 3.52Å; V14-H350 VanDerWaalsContact O-CA 3.25Å; V14-H350 WeakPolarHBondContact O-CA 3.4Å; C15-H350 PolarHBondContact SG-NE2 2.82Å; P235-H350 VanDerWaalsContact CB-NE2 3.26Å; P235-H350 WeakPolarHBondContact CB-NE2 3.34Å; P235-H350 PolarHBondContact O-NE2 2.62Å; L239-H350 HydrophobicContact CD1-CB 4.35Å; L239-H350 HydrophobicContact CD2-CB 3.99Å; Y337-H350 CarbonylContact C-O 3.29Å; Y337-H350 WeakPolarHBondContact CA-O 3.35Å; Y337-H350 WeakPolarHBondContact CB-O 3.41Å; N338-H350 HydrophobicContact CB-CB 4.12Å; N338-H350 PolarHBondContact N-O 2.89Å; N338-H350 PolarHBondContact ND2-ND1 3.45Å; N338-H350 PolarHBondContact O-N 3.3Å; N338-H350 PolarHBondContact O-ND1 3.27Å |
| 351 | M | 90.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.7 | 171.8 | -66.6 | 177.1 | -73.9 | 0 | 0 | 108 | L13 V14 W322 L349 P360 | L13-M351 WeakPolarHBondContact CA-O 2.92Å; L13-M351 WeakPolarHBondContact CD1-O 3.27Å; V14-M351 HydrophobicContact CB-CE 4.32Å; V14-M351 HydrophobicContact CG1-CE 4.12Å; V14-M351 PolarHBondContact N-O 3.35Å; V14-M351 PolarHBondContact O-N 3.23Å; W322-M351 HydrophobicContact CH2-CG 4.31Å; W322-M351 HydrophobicContact CH2-SD 4.47Å; W322-M351 HydrophobicContact CZ2-CG 4.21Å; L349-M351 HydrophobicContact CD1-CG 4.09Å; L349-M351 HydrophobicContact CD2-CE 4.01Å; L349-M351 HydrophobicContact CD2-CG 4.33Å; L349-M351 HydrophobicContact CD2-SD 4.04Å; L349-M351 HydrophobicContact CG-CE 4.37Å; L349-M351 HydrophobicContact CG-CG 4.02Å; L349-M351 HydrophobicContact CG-SD 4.38Å; M351-P360 HydrophobicContact SD-CG 3.93Å |
| 352 | G | 83.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | F336 | F336-G352 PolarHBondContact N-O 2.86Å; F336-G352 PolarHBondContact O-N 3.25Å |
| 353 | T | 75.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.2 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | L12 E334 C359 | L12-T353 PolarHBondContact N-O 3.42Å; L12-T353 PolarHBondContact O-N 3.39Å; E334-T353 CarbonylContact O-C 3.47Å; E334-T353 WeakPolarHBondContact O-CA 3.4Å; T353-C359 HydrophobicContact CG2-CB 3.99Å |
| 354 | G | 67.6 | Low | 79 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -59.1 | 161.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E334 H356 D357 | E334-G354 PolarHBondContact O-N 2.99Å; G354-H356 PolarHBondContact O-N 3.29Å; G354-D357 WeakPolarHBondContact CA-OD2 3.45Å; G354-D357 PolarHBondContact N-OD2 3.48Å; G354-D357 PolarHBondContact O-N 2.78Å | ||
| 355 | S | 61.6 | Low | 78.3 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.8 | -28.4 | -175.3 | 12.8 | 0 | 0 | 0 | 0 | 118 | R10 | R10-S355 WeakPolarHBondContact O-CA 3.24Å; R10-S355 WeakPolarHBondContact O-CB 3.19Å; R10-S355 PolarHBondContact O-N 2.8Å |
| 356 | H | 61.5 | Low | 77.4 | Confident | 103 Ų | 103 | 33.3 Ų | 33.3 | 48% | 0.477 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 1 | -168.9 | -66.9 | -72.1 | 0 | 0 | 0 | 112.1 | Y134 H330 G354 | Y134-H356 HydrophobicContact CD1-CB 3.51Å; Y134-H356 HydrophobicContact CE1-CB 3.15Å; Y134-H356 PolarHBondContact OH-O 2.87Å; Y134-H356 VanDerWaalsContact OH-O 3.13Å; H330-H356 AromaticContact CD2-CD2 3.55Å; H330-H356 AromaticContact NE2-CD2 3.96Å; G354-H356 PolarHBondContact O-N 3.29Å |
| 357 | D | 63.5 | Low | 76.3 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 155.9 | 177.8 | -66.3 | -30.4 | 0 | 0 | 0 | 111.3 | Y134 H327 G328 G354 | Y134-D357 WeakPolarHBondContact OH-CA 3.41Å; Y134-D357 PolarHBondContact OH-OD1 2.71Å; H327-D357 WeakPolarHBondContact CA-OD1 3.37Å; H327-D357 IonicContact CE1-OD2 3.08Å; H327-D357 PolarHBondContact CE1-OD2 3.31Å; H327-D357 IonicContact ND1-OD1 3.98Å; H327-D357 PolarHBondContact ND1-OD1 3.43Å; H327-D357 IonicContact ND1-OD2 3.15Å; H327-D357 PolarHBondContact ND1-OD2 3.27Å; G328-D357 PolarHBondContact N-OD1 3.12Å; G354-D357 WeakPolarHBondContact CA-OD2 3.45Å; G354-D357 PolarHBondContact N-OD2 3.48Å; G354-D357 PolarHBondContact O-N 2.78Å |
| 358 | R | 66.3 | Low | 74.9 | Confident | 165 Ų | 165 | 35.7 Ų | 35.7 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | P | Polyproline II helix | trans | -87.6 | 126.5 | 172.7 | -64.5 | -175.4 | -175.2 | -177.5 | 1.4 | 109.8 | A325 | A325-R358 HydrophobicContact CB-CB 4.14Š|
| 359 | C | 64.2 | Low | 73.3 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 24% | 0.236 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -85.9 | 127.6 | 167.3 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | L12 V14 T353 | L12-C359 HydrophobicContact CD2-CB 3.71Å; V14-C359 HydrophobicContact CG2-CB 4.32Å; T353-C359 HydrophobicContact CG2-CB 3.99Å |
| 360 | P | 71.8 | Confident | 71.6 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 153.8 | 173.5 | 30 | -34.2 | 0 | 0 | 0 | 111 | W322 M351 | W322-P360 HydrophobicContact CB-CG 3.99Å; W322-P360 HydrophobicContact CD2-CG 3.75Å; W322-P360 HydrophobicContact CE3-CG 3.78Å; W322-P360 HydrophobicContact CG-CG 3.86Å; W322-P360 HydrophobicContact CZ3-CG 4.44Å; M351-P360 HydrophobicContact SD-CG 3.93Å |
| 361 | P | 59.7 | Low | 69.6 | Low | 111 Ų | 111 | 45.4 Ų | 45.4 | 72% | 0.721 | 24% | 0.239 | S | C | * | . | trans | -95.1 | 0 | -179.3 | 40 | -38.3 | 0 | 0 | 0 | 114.4 | R26 H30 | R26-P361 PolarHBondContact NH1-O 3.4Å; R26-P361 PolarHBondContact NH1-OXT 2.68Å; H30-P361 PolarHBondContact CE1-O 3.46Å |
Retrieved 361 of 361 residues in 1805.3 ms
(Link to these results)