| 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 | 57 | Low | 75.5 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 73% | 0.729 | 49% | 0.493 | S | S | * | . | 0 | 81.7 | 0 | -83.6 | -42.4 | -150.1 | 0 | 0 | 105.5 | V385 Q387 | M1-V385 HydrophobicContact CE-CG1 3.77Å; M1-V385 HydrophobicContact CG-CG1 4.19Å; M1-Q387 HydrophobicContact CE-CG 4.3Å; M1-Q387 PolarHBondContact SD-NE2 2.75Å; M1-Q387 VanDerWaalsContact SD-NE2 3.36Å | |||
| 2 | D | 61.3 | Low | 75.7 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 163.4 | -168.8 | -60.8 | -94.9 | 0 | 0 | 0 | 106.8 | L4 | D2-L4 PolarHBondContact O-N 2.88Š|
| 3 | P | 69.6 | Low | 76.1 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 81% | 0.812 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 125.7 | -178.5 | 23.3 | -33.4 | 0 | 0 | 0 | 110.1 | T5 | P3-T5 PolarHBondContact O-N 2.77Š|
| 4 | L | 79.2 | Confident | 76.9 | Confident | 33 Ų | 33 | 88.6 Ų | 88.6 | 17% | 0.173 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 131.7 | -179.3 | -65.6 | 177.8 | 0 | 0 | 0 | 109.8 | D2 V6 L360 Q387 V389 V418 | D2-L4 PolarHBondContact O-N 2.88Å; L4-V6 PolarHBondContact O-N 3.4Å; L4-L360 HydrophobicContact CD1-CD1 3.86Å; L4-Q387 HydrophobicContact CD1-CB 4.38Å; L4-Q387 VanDerWaalsContact CD2-NE2 3.29Å; L4-V389 HydrophobicContact CD1-CG2 3.88Å; L4-V418 HydrophobicContact CB-CG1 3.8Å; L4-V418 HydrophobicContact CD1-CG1 4.05Å |
| 5 | T | 79.6 | Confident | 77.3 | Confident | 76 Ų | 76 | 83 Ų | 83 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 113.9 | -179 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | P3 K419 | P3-T5 PolarHBondContact O-N 2.77Å; T5-K419 PolarHBondContact O-N 3.01Å |
| 6 | V | 82 | Confident | 77.4 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | L4 E8 I416 V418 | L4-V6 PolarHBondContact O-N 3.4Å; V6-E8 HydrophobicContact CG1-CG 4.16Å; V6-I416 HydrophobicContact CG1-CG2 3.45Å; V6-I416 VanDerWaalsContact CG1-CG2 3.45Å; V6-V418 HydrophobicContact CG2-CG1 4.47Å; V6-V418 HydrophobicContact CG2-CG2 4.29Å |
| 7 | K | 75.6 | Confident | 77.7 | Confident | 155 Ų | 155 | 80.1 Ų | 80.1 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.6 | 163.2 | -68.3 | -173.3 | 176 | -174.4 | 0 | 108.7 | I416 A417 | K7-I416 CarbonylContact O-C 3.54Å; K7-I416 WeakPolarHBondContact O-CA 3.45Å; K7-A417 PolarHBondContact N-O 3.13Å; K7-A417 PolarHBondContact O-N 2.83Å |
| 8 | E | 82.8 | Confident | 77.5 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.4 | 178.2 | -54.9 | -173.5 | -156.6 | 0 | 0 | 109.1 | V6 N392 R414 I416 | V6-E8 HydrophobicContact CG1-CG 4.16Å; E8-N392 PolarHBondContact OE1-ND2 3.32Å; E8-R414 VanDerWaalsContact OE2-CD 3.29Å; E8-R414 WeakPolarHBondContact OE2-CD 3.49Å; E8-I416 HydrophobicContact CB-CG1 4.43Å; E8-I416 HydrophobicContact CG-CD1 4.37Å; E8-I416 HydrophobicContact CG-CG1 4.03Å; E8-I416 HydrophobicContact CG-CG2 4.16Å |
| 9 | Q | 77 | Confident | 77.4 | Confident | 127 Ų | 127 | 79.5 Ų | 79.5 | 59% | 0.593 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.6 | 171.5 | 174.8 | 178.9 | -17.1 | 0 | 0 | 108.3 | R414 L415 | Q9-R414 CarbonylContact O-C 3.55Å; Q9-R414 VanDerWaalsContact O-CA 3.23Å; Q9-R414 WeakPolarHBondContact O-CA 3.22Å; Q9-R414 WeakPolarHBondContact O-CB 3.45Å; Q9-L415 PolarHBondContact N-O 3.45Å; Q9-L415 PolarHBondContact O-N 2.88Å |
| 10 | E | 85.5 | Confident | 76.8 | Confident | 129 Ų | 129 | 78 Ų | 78 | 60% | 0.603 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 139.2 | 173.5 | -160.4 | 150 | -111.8 | 0 | 0 | 110.8 | R414 | E10-R414 IonicContact OE1-CZ 3.98Å; E10-R414 IonicContact OE1-NE 2.68Å; E10-R414 IonicContact OE1-NH2 3.38Å; E10-R414 PolarHBondContact OE1-NH2 3.43Å |
| 11 | L | 80.8 | Confident | 76.4 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 15% | 0.152 | 41% | 0.412 | C | S | . | . | trans | -83.7 | 152 | 178.2 | -58.5 | 175 | 0 | 0 | 0 | 109.9 | C13 A15 L55 L410 S413 L415 | L11-C13 WeakPolarHBondContact CB-O 3.47Å; L11-C13 PolarHBondContact O-N 2.83Å; L11-A15 HydrophobicContact CD1-CB 3.89Å; L11-L55 HydrophobicContact CB-CD2 4.46Å; L11-L55 HydrophobicContact CD1-CD2 4.11Å; L11-L410 HydrophobicContact CD1-CD1 3.99Å; L11-S413 WeakPolarHBondContact CB-O 3.42Å; L11-S413 WeakPolarHBondContact CG-O 3.12Å; L11-S413 PolarHBondContact N-O 3.19Å; L11-L415 HydrophobicContact CD2-CB 4.23Å | ||
| 12 | S | 77.8 | Confident | 76.8 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -65.5 | -23.7 | 179.6 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | L55 | S12-L55 WeakPolarHBondContact OG-CD1 3.2Š|
| 13 | C | 81.9 | Confident | 77 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 28% | 0.277 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -156.5 | 171.8 | 163.5 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | L11 A15 | L11-C13 WeakPolarHBondContact CB-O 3.47Å; L11-C13 PolarHBondContact O-N 2.83Å; C13-A15 PolarHBondContact O-N 2.93Å |
| 14 | S | 86.3 | Confident | 76.7 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | trans | -50.3 | 142.3 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | S56 E412 | S14-S56 VanDerWaalsContact O-CB 3.3Å; S14-S56 WeakPolarHBondContact O-CB 3.15Å; S14-S56 PolarHBondContact O-N 2.95Å; S14-S56 PolarHBondContact O-OG 2.8Å; S14-E412 CarbonylContact C-O 3.55Å; S14-E412 VanDerWaalsContact CA-O 3.31Å; S14-E412 WeakPolarHBondContact CA-O 3.49Å; S14-E412 PolarHBondContact OG-OE1 2.94Å | ||
| 15 | A | 83.4 | Confident | 75.9 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 167.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L11 C13 L54 L55 W398 L410 E412 | L11-A15 HydrophobicContact CD1-CB 3.89Å; C13-A15 PolarHBondContact O-N 2.93Å; A15-L54 CarbonylContact C-O 3.54Å; A15-L55 HydrophobicContact CB-CD2 4.37Å; A15-W398 HydrophobicContact CB-CE3 3.68Å; A15-W398 HydrophobicContact CB-CZ3 3.82Å; A15-W398 VanDerWaalsContact O-CZ3 3.26Å; A15-W398 WeakPolarHBondContact O-CZ3 3.38Å; A15-L410 HydrophobicContact CB-CD1 4.17Å; A15-L410 HydrophobicContact CB-CD2 4.29Å; A15-L410 HydrophobicContact CB-CG 4.43Å; A15-E412 PolarHBondContact N-O 2.92Å |
| 16 | R | 79 | Confident | 75.1 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 21% | 0.211 | 38% | 0.383 | C | S | . | . | trans | -97.3 | 102.5 | 179.8 | -160.8 | -179.1 | -163.7 | 79 | 8.3 | 111.9 | L54 S56 M58 | R16-L54 HydrophobicContact CB-CB 4.24Å; R16-L54 HydrophobicContact CB-CD2 4.2Å; R16-L54 HydrophobicContact CB-CG 4.16Å; R16-L54 WeakPolarHBondContact CB-O 3.45Å; R16-L54 HydrophobicContact CG-CD2 4.45Å; R16-L54 PolarHBondContact N-O 3.18Å; R16-S56 PolarHBondContact NH1-O 2.97Å; R16-M58 VanDerWaalsContact CD-SD 3.55Å; R16-M58 PolarHBondContact NE-SD 3.01Å; R16-M58 VanDerWaalsContact NE-SD 3.35Å; R16-M58 PolarHBondContact NH1-SD 2.65Å; R16-M58 VanDerWaalsContact NH1-SD 3.39Å | ||
| 17 | K | 82.4 | Confident | 74.1 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 27% | 0.265 | 38% | 0.382 | S | S | . | . | trans | -106.1 | 140.4 | 156.8 | -179.1 | 176 | 168 | -171.3 | 0 | 109.2 | E396 W398 | K17-E396 IonicContact NZ-OE1 3.76Å; K17-E396 PolarHBondContact NZ-OE1 3Å; K17-E396 IonicContact NZ-OE2 3.85Å; K17-E396 PolarHBondContact NZ-OE2 2.91Å; K17-W398 HydrophobicContact CB-CD2 3.88Å; K17-W398 HydrophobicContact CB-CE3 3.95Å; K17-W398 HydrophobicContact CB-CH2 4.05Å; K17-W398 HydrophobicContact CB-CZ2 3.96Å; K17-W398 HydrophobicContact CB-CZ3 4.05Å; K17-W398 HydrophobicContact CD-CD2 4.18Å; K17-W398 HydrophobicContact CD-CG 4.33Å; K17-W398 HydrophobicContact CD-CZ2 4.08Å | ||
| 18 | L | 74 | Confident | 73.4 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 150.3 | 165 | -65 | 174.4 | 0 | 0 | 0 | 110.2 | F33 R70 V71 N72 | L18-F33 HydrophobicContact CB-CD1 4.12Å; L18-F33 HydrophobicContact CB-CE1 3.84Å; L18-F33 WeakPolarHBondContact O-CD1 3.2Å; L18-R70 HydrophobicContact CD1-CB 3.54Å; L18-V71 WeakPolarHBondContact CD1-O 3.3Å; L18-N72 WeakPolarHBondContact CB-OD1 3.41Å; L18-N72 PolarHBondContact N-OD1 3.48Å |
| 19 | L | 74.9 | Confident | 72.6 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 62% | 0.618 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 151.9 | 165.5 | -59.3 | 179.5 | 0 | 0 | 0 | 108.7 | ||
| 20 | P | 66.9 | Low | 72.1 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.5 | 170.1 | 24.3 | -32.9 | 0 | 0 | 0 | 111.1 | Q24 F33 | P20-Q24 HydrophobicContact CB-CB 3.75Å; P20-Q24 VanDerWaalsContact CB-O 3.27Å; P20-Q24 WeakPolarHBondContact CB-O 3.02Å; P20-F33 HydrophobicContact CB-CD2 3.74Å; P20-F33 HydrophobicContact CB-CE2 3.85Å; P20-F33 HydrophobicContact CG-CD2 4.29Å |
| 21 | S | 68.3 | Low | 71.3 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 171.6 | 169.5 | 77.7 | 0 | 0 | 0 | 0 | 112 | S23 Q24 | S21-S23 PolarHBondContact O-N 3.38Å; S21-S23 PolarHBondContact OG-N 3.32Å; S21-S23 PolarHBondContact OG-OG 3.18Å; S21-Q24 PolarHBondContact O-N 2.87Å; S21-Q24 WeakPolarHBondContact OG-CG 3.46Å; S21-Q24 PolarHBondContact OG-OE1 3.11Å |
| 22 | N | 65.6 | Low | 70.7 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 76% | 0.759 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -12.9 | 173.2 | -61 | 21 | 0 | 0 | 0 | 113.9 | ||
| 23 | S | 64.2 | Low | 70.5 | Confident | 79 Ų | 79 | 51 Ų | 51 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2 | 172.4 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | S21 | S21-S23 PolarHBondContact O-N 3.38Å; S21-S23 PolarHBondContact OG-N 3.32Å; S21-S23 PolarHBondContact OG-OG 3.18Å |
| 24 | Q | 64.7 | Low | 70.1 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | trans | -115.8 | 43.6 | -175.1 | -66.2 | 175.6 | -48.4 | 0 | 0 | 111.3 | P20 S21 H29 F33 R70 | P20-Q24 HydrophobicContact CB-CB 3.75Å; P20-Q24 VanDerWaalsContact CB-O 3.27Å; P20-Q24 WeakPolarHBondContact CB-O 3.02Å; S21-Q24 PolarHBondContact O-N 2.87Å; S21-Q24 WeakPolarHBondContact OG-CG 3.46Å; S21-Q24 PolarHBondContact OG-OE1 3.11Å; Q24-H29 HydrophobicContact CB-CB 4.21Å; Q24-H29 WeakPolarHBondContact O-CB 3.4Å; Q24-F33 HydrophobicContact CB-CE2 4.37Å; Q24-R70 PolarHBondContact NE2-O 3.43Å | ||
| 25 | W | 61.3 | Low | 69.6 | Low | 162 Ų | 162 | 54 Ų | 54 | 61% | 0.614 | 28% | 0.276 | S | S | * | . | trans | -85.8 | -6.5 | -166.8 | 52.7 | -100.1 | 0 | 0 | 0 | 115.9 | F247 | W25-F247 HydrophobicContact CE3-CE2 4.11Š| ||
| 26 | S | 61.9 | Low | 69.6 | Low | 17 Ų | 17 | 55.3 Ų | 55.3 | 12% | 0.119 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -75.8 | 155.9 | -175.6 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | Q28 H29 A30 L149 | S26-Q28 PolarHBondContact O-N 3.46Å; S26-Q28 VanDerWaalsContact O-N 3.13Å; S26-H29 WeakPolarHBondContact O-CA 3.44Å; S26-H29 WeakPolarHBondContact O-CB 3.26Å; S26-H29 PolarHBondContact O-N 2.94Å; S26-H29 PolarHBondContact OG-ND1 2.73Å; S26-A30 PolarHBondContact O-N 3.32Å; S26-L149 WeakPolarHBondContact OG-CD1 3.46Å |
| 27 | F | 61.9 | Low | 70.1 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -49.6 | -37.9 | 172.9 | -179.9 | -101.6 | 0 | 0 | 0 | 113.5 | A30 L31 L252 V257 | F27-A30 PolarHBondContact O-N 3.23Å; F27-L31 HydrophobicContact CD1-CD1 4.03Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.32Å; F27-L31 HydrophobicContact CE1-CG 3.83Å; F27-L31 HydrophobicContact CE2-CD2 4.4Å; F27-L31 HydrophobicContact CE2-CG 4.26Å; F27-L31 HydrophobicContact CZ-CD1 3.62Å; F27-L31 HydrophobicContact CZ-CD2 4.05Å; F27-L31 HydrophobicContact CZ-CG 3.81Å; F27-L31 PolarHBondContact O-N 3.24Å; F27-L252 HydrophobicContact CD2-CD1 3.96Å; F27-L252 HydrophobicContact CD2-CD2 4.01Å; F27-L252 HydrophobicContact CD2-CG 4.39Å; F27-L252 HydrophobicContact CE2-CB 4.2Å; F27-L252 HydrophobicContact CE2-CD1 4.41Å; F27-L252 HydrophobicContact CE2-CD2 4.36Å; F27-V257 HydrophobicContact CE1-CG2 3.78Å; F27-V257 HydrophobicContact CZ-CG2 3.58Å |
| 28 | Q | 60.7 | Low | 70.4 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175 | -68.4 | -175.1 | -5.7 | 0 | 0 | 112.4 | S26 F32 L149 L179 | S26-Q28 PolarHBondContact O-N 3.46Å; S26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-F32 WeakPolarHBondContact O-CB 3.25Å; Q28-F32 PolarHBondContact O-N 2.87Å; Q28-L149 PolarHBondContact OE1-O 3.41Å; Q28-L179 HydrophobicContact CB-CD2 3.94Å; Q28-L179 HydrophobicContact CG-CD1 4.21Å; Q28-L179 HydrophobicContact CG-CD2 3.86Å; Q28-L179 HydrophobicContact CG-CG 3.97Å |
| 29 | H | 65.4 | Low | 71 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 173.7 | -70.3 | 104.9 | 0 | 0 | 0 | 111.2 | Q24 S26 L31 F32 F33 | Q24-H29 HydrophobicContact CB-CB 4.21Å; Q24-H29 WeakPolarHBondContact O-CB 3.4Å; S26-H29 WeakPolarHBondContact O-CA 3.44Å; S26-H29 WeakPolarHBondContact O-CB 3.26Å; S26-H29 PolarHBondContact O-N 2.94Å; S26-H29 PolarHBondContact OG-ND1 2.73Å; H29-L31 PolarHBondContact O-N 2.86Å; H29-F32 PolarHBondContact O-N 2.74Å; H29-F32 VanDerWaalsContact O-N 3.12Å; H29-F33 HydrophobicContact CB-CD2 4.31Å; H29-F33 HydrophobicContact CB-CE2 4.47Å; H29-F33 VanDerWaalsContact O-CD2 3.29Å; H29-F33 WeakPolarHBondContact O-CD2 3.26Å; H29-F33 PolarHBondContact O-N 3.5Å |
| 30 | A | 67 | Low | 71.5 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -50.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S26 F27 F32 A34 T249 L252 | S26-A30 PolarHBondContact O-N 3.32Å; F27-A30 PolarHBondContact O-N 3.23Å; A30-F32 PolarHBondContact O-N 3.29Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.76Å; A30-T249 HydrophobicContact CB-CG2 4.2Å; A30-L252 HydrophobicContact CB-CD1 4.45Å |
| 31 | L | 68.9 | Low | 72.3 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 173.7 | -74.1 | -172.1 | 0 | 0 | 0 | 112.8 | F27 H29 A34 R35 L179 | F27-L31 HydrophobicContact CD1-CD1 4.03Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.32Å; F27-L31 HydrophobicContact CE1-CG 3.83Å; F27-L31 HydrophobicContact CE2-CD2 4.4Å; F27-L31 HydrophobicContact CE2-CG 4.26Å; F27-L31 HydrophobicContact CZ-CD1 3.62Å; F27-L31 HydrophobicContact CZ-CD2 4.05Å; F27-L31 HydrophobicContact CZ-CG 3.81Å; F27-L31 PolarHBondContact O-N 3.24Å; H29-L31 PolarHBondContact O-N 2.86Å; L31-A34 PolarHBondContact O-N 2.87Å; L31-R35 WeakPolarHBondContact O-CB 2.99Å; L31-R35 PolarHBondContact O-N 3.38Å; L31-L179 HydrophobicContact CD1-CD1 4.29Å |
| 32 | F | 67.3 | Low | 72.7 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | -175.9 | 177.8 | -97.1 | 0 | 0 | 0 | 113 | Q28 H29 A30 V71 V115 Q136 I138 | Q28-F32 WeakPolarHBondContact O-CB 3.25Å; Q28-F32 PolarHBondContact O-N 2.87Å; H29-F32 PolarHBondContact O-N 2.74Å; H29-F32 VanDerWaalsContact O-N 3.12Å; A30-F32 PolarHBondContact O-N 3.29Å; F32-V71 HydrophobicContact CE1-CB 3.82Å; F32-V71 HydrophobicContact CE1-CG1 3.69Å; F32-V71 HydrophobicContact CZ-CB 4.28Å; F32-V71 HydrophobicContact CZ-CG1 4.24Å; F32-V115 HydrophobicContact CE1-CG2 4.31Å; F32-V115 HydrophobicContact CE2-CG2 4.32Å; F32-V115 HydrophobicContact CZ-CB 4.22Å; F32-V115 HydrophobicContact CZ-CG2 3.57Å; F32-Q136 HydrophobicContact CE2-CG 4.23Å; F32-I138 HydrophobicContact CB-CD1 4.06Å; F32-I138 HydrophobicContact CD1-CD1 3.99Å; F32-I138 HydrophobicContact CD2-CD1 4.45Å; F32-I138 HydrophobicContact CG-CD1 3.94Å |
| 33 | F | 73.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.1 | -37.8 | 172.5 | -77.5 | -76.7 | 0 | 0 | 0 | 112.4 | L18 P20 Q24 H29 | L18-F33 HydrophobicContact CB-CD1 4.12Å; L18-F33 HydrophobicContact CB-CE1 3.84Å; L18-F33 WeakPolarHBondContact O-CD1 3.2Å; P20-F33 HydrophobicContact CB-CD2 3.74Å; P20-F33 HydrophobicContact CB-CE2 3.85Å; P20-F33 HydrophobicContact CG-CD2 4.29Å; Q24-F33 HydrophobicContact CB-CE2 4.37Å; H29-F33 HydrophobicContact CB-CD2 4.31Å; H29-F33 HydrophobicContact CB-CE2 4.47Å; H29-F33 VanDerWaalsContact O-CD2 3.29Å; H29-F33 WeakPolarHBondContact O-CD2 3.26Å; H29-F33 PolarHBondContact O-N 3.5Å |
| 34 | A | 73.4 | Confident | 73.8 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -73.7 | -47.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A30 L31 Y36 K338 | A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.76Å; L31-A34 PolarHBondContact O-N 2.87Å; A34-Y36 PolarHBondContact O-N 2.98Å; A34-K338 WeakPolarHBondContact O-CE 3.42Å; A34-K338 PolarHBondContact O-NZ 2.86Å |
| 35 | R | 77.2 | Confident | 74 | Confident | 107 Ų | 107 | 41 Ų | 41 | 40% | 0.404 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -81.1 | 2.3 | -176.2 | -63.4 | -174 | 176.8 | -165.4 | -1.1 | 113.7 | L31 E254 | L31-R35 WeakPolarHBondContact O-CB 2.99Å; L31-R35 PolarHBondContact O-N 3.38Å; R35-E254 IonicContact NH2-OE1 3.14Å; R35-E254 PolarHBondContact NH2-OE1 2.88Å |
| 36 | Y | 82.6 | Confident | 74.1 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | trans | -60.8 | 134.7 | 179 | -176 | -101.1 | 0 | 0 | 0 | 112.6 | A34 F40 N72 A73 S74 V115 Y339 | A34-Y36 PolarHBondContact O-N 2.98Å; Y36-F40 AromaticContact CZ-CZ 3.98Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.09Å; Y36-N72 WeakPolarHBondContact CB-ND2 3.32Å; Y36-N72 HydrophobicContact CD1-CB 3.69Å; Y36-N72 HydrophobicContact CD2-CB 3.6Å; Y36-N72 HydrophobicContact CE1-CB 3.56Å; Y36-N72 HydrophobicContact CE2-CB 3.47Å; Y36-N72 VanDerWaalsContact CE2-CB 3.47Å; Y36-N72 HydrophobicContact CG-CB 3.69Å; Y36-N72 VanDerWaalsContact CG-ND2 3.35Å; Y36-N72 VanDerWaalsContact CZ-CB 3.42Å; Y36-A73 PolarHBondContact OH-O 3.35Å; Y36-S74 VanDerWaalsContact OH-CA 3.29Å; Y36-S74 WeakPolarHBondContact OH-CA 3.48Å; Y36-S74 WeakPolarHBondContact OH-CB 3.49Å; Y36-S74 PolarHBondContact OH-N 3.1Å; Y36-V115 HydrophobicContact CE2-CG1 4.41Å; Y36-V115 HydrophobicContact CE2-CG2 4.28Å; Y36-Y339 VanDerWaalsContact O-CE1 3.32Å; Y36-Y339 WeakPolarHBondContact O-CE1 3.27Å; Y36-Y339 PolarHBondContact O-OH 2.89Å | ||
| 37 | N | 88.7 | Confident | 74 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | trans | -100.6 | 105.2 | 175.5 | -172.7 | -3.3 | 0 | 0 | 0 | 109.7 | L39 F40 Y339 G399 I400 | N37-L39 VanDerWaalsContact C-N 3.26Å; N37-L39 PolarHBondContact O-N 3.11Å; N37-L39 PolarHBondContact OD1-N 2.78Å; N37-L39 VanDerWaalsContact OD1-N 3.14Å; N37-L39 PolarHBondContact OD1-O 3.16Å; N37-F40 WeakPolarHBondContact O-CZ 3.33Å; N37-Y339 HydrophobicContact CB-CE1 4.29Å; N37-G399 WeakPolarHBondContact OD1-CA 3.22Å; N37-I400 PolarHBondContact ND2-O 2.92Å; N37-I400 PolarHBondContact OD1-N 3.24Å; N37-I400 VanDerWaalsContact OD1-N 3.08Å | ||
| 38 | G | 88.8 | Confident | 74.1 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | trans | -81.4 | 4.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T53 W398 L410 | G38-T53 WeakPolarHBondContact O-CB 3.3Å; G38-T53 PolarHBondContact O-OG1 3.3Å; G38-W398 PolarHBondContact N-O 3.29Å; G38-L410 WeakPolarHBondContact O-CD2 3.4Å | ||
| 39 | L | 87.7 | Confident | 74.7 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -113.5 | 117.2 | 179 | -172.1 | 63 | 0 | 0 | 0 | 110.8 | N37 L51 V401 F408 L410 L415 | N37-L39 VanDerWaalsContact C-N 3.26Å; N37-L39 PolarHBondContact O-N 3.11Å; N37-L39 PolarHBondContact OD1-N 2.78Å; N37-L39 VanDerWaalsContact OD1-N 3.14Å; N37-L39 PolarHBondContact OD1-O 3.16Å; L39-L51 HydrophobicContact CD1-CB 4.27Å; L39-L51 HydrophobicContact CD1-CD2 4.21Å; L39-L51 HydrophobicContact CD2-CD2 4.4Å; L39-L51 HydrophobicContact CG-CD2 4.2Å; L39-V401 HydrophobicContact CB-CG2 4.42Å; L39-V401 HydrophobicContact CD2-CB 4.28Å; L39-V401 HydrophobicContact CD2-CG2 4.07Å; L39-V401 HydrophobicContact CG-CG2 3.87Å; L39-F408 HydrophobicContact CD2-CB 3.85Å; L39-F408 WeakPolarHBondContact CD2-O 3.5Å; L39-L410 HydrophobicContact CB-CB 3.96Å; L39-L410 HydrophobicContact CB-CD2 4.24Å; L39-L410 HydrophobicContact CD1-CB 4.41Å; L39-L410 HydrophobicContact CD2-CB 4.19Å; L39-L410 HydrophobicContact CG-CB 4.41Å; L39-L415 HydrophobicContact CD1-CD1 3.77Å; L39-L415 HydrophobicContact CD2-CD1 3.94Å | ||
| 40 | F | 85.2 | Confident | 74.9 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.4 | -173.8 | -58.8 | -90.9 | 0 | 0 | 0 | 110.7 | Y36 N37 L51 A52 I75 | Y36-F40 AromaticContact CZ-CZ 3.98Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.09Å; N37-F40 WeakPolarHBondContact O-CZ 3.33Å; F40-L51 CarbonylContact O-C 3.54Å; F40-L51 VanDerWaalsContact O-CA 3.29Å; F40-L51 WeakPolarHBondContact O-CA 3.46Å; F40-A52 HydrophobicContact CB-CB 4.4Å; F40-A52 PolarHBondContact N-O 3.35Å; F40-A52 PolarHBondContact O-N 3.11Å; F40-I75 HydrophobicContact CB-CG2 3.64Å; F40-I75 HydrophobicContact CD1-CG2 4.05Å; F40-I75 WeakPolarHBondContact CD1-O 3.44Å; F40-I75 HydrophobicContact CD2-CG2 3.5Å; F40-I75 HydrophobicContact CE2-CG2 4.19Å; F40-I75 HydrophobicContact CG-CG2 3.43Å; F40-I75 VanDerWaalsContact CG-CG2 3.43Å |
| 41 | Y | 82.9 | Confident | 75.3 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 12% | 0.122 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.5 | 177.6 | -171.6 | -104.1 | 0 | 0 | 0 | 111 | Y43 H49 V50 L51 V401 L403 | Y41-Y43 AromaticContact CD1-CD1 3.62Å; Y41-Y43 HydrophobicContact CD1-CD1 3.62Å; Y41-Y43 HydrophobicContact CD1-CD2 4.18Å; Y41-Y43 AromaticContact CD1-CE1 3.69Å; Y41-Y43 HydrophobicContact CD1-CE1 3.69Å; Y41-Y43 HydrophobicContact CD1-CE2 4.25Å; Y41-Y43 AromaticContact CD1-CG 3.86Å; Y41-Y43 HydrophobicContact CD1-CG 3.86Å; Y41-Y43 HydrophobicContact CE1-CD1 4.11Å; Y41-Y43 HydrophobicContact CE1-CE1 4.43Å; Y41-Y43 HydrophobicContact CE1-CG 4.48Å; Y41-Y43 VanDerWaalsContact O-CD2 3.23Å; Y41-Y43 WeakPolarHBondContact O-CD2 3.35Å; Y41-Y43 WeakPolarHBondContact O-CE2 3.26Å; Y41-Y43 PolarHBondContact O-N 2.79Å; Y41-H49 HydrophobicContact CE2-CB 4.04Å; Y41-H49 AromaticContact CE2-ND1 4Å; Y41-H49 AromaticContact CZ-ND1 3.93Å; Y41-H49 PolarHBondContact OH-ND1 2.84Å; Y41-V50 WeakPolarHBondContact CD2-O 3.49Å; Y41-L51 HydrophobicContact CD2-CD2 3.86Å; Y41-L51 HydrophobicContact CD2-CG 4.33Å; Y41-V401 HydrophobicContact CD2-CG1 3.93Å; Y41-V401 HydrophobicContact CG-CG1 4.03Å; Y41-L403 HydrophobicContact CD1-CD2 4.37Å; Y41-L403 HydrophobicContact CD2-CD1 4.19Å; Y41-L403 HydrophobicContact CD2-CD2 4.31Å; Y41-L403 HydrophobicContact CE1-CD2 4.23Å; Y41-L403 HydrophobicContact CE2-CD1 3.49Å; Y41-L403 VanDerWaalsContact CE2-CD1 3.49Å; Y41-L403 HydrophobicContact CE2-CD2 4.16Å; Y41-L403 HydrophobicContact CE2-CG 4.43Å; Y41-L403 HydrophobicContact CG-CD2 4.42Å |
| 42 | D | 77.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -86.9 | 88.2 | 173.6 | -173.3 | 4.4 | 0 | 0 | 0 | 110.5 | W44 Q45 V50 F77 R100 | D42-W44 PolarHBondContact O-N 2.84Å; D42-W44 WeakPolarHBondContact OD1-CB 3.49Å; D42-W44 PolarHBondContact OD1-N 2.96Å; D42-Q45 HydrophobicContact CB-CG 3.94Å; D42-Q45 PolarHBondContact O-N 2.93Å; D42-Q45 VanDerWaalsContact O-N 3.14Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.16Å; D42-Q45 PolarHBondContact OD2-NE2 3.3Å; D42-V50 HydrophobicContact CB-CB 4.04Å; D42-V50 HydrophobicContact CB-CG1 4.05Å; D42-V50 PolarHBondContact N-O 2.8Å; D42-F77 HydrophobicContact CB-CD2 3.88Å; D42-F77 HydrophobicContact CB-CE2 3.93Å; D42-F77 HydrophobicContact CB-CG 4.22Å; D42-F77 HydrophobicContact CB-CZ 4.31Å; D42-R100 IonicContact OD1-NH1 2.69Å; D42-R100 PolarHBondContact OD1-NH1 3.07Å; D42-R100 WeakPolarHBondContact OD2-CD 3.25Å; D42-R100 IonicContact OD2-CZ 2.7Å; D42-R100 IonicContact OD2-NE 2.7Å; D42-R100 IonicContact OD2-NH1 2.72Å; D42-R100 PolarHBondContact OD2-NH1 2.76Å | ||
| 43 | Y | 79.9 | Confident | 76.1 | Confident | 72 Ų | 72 | 50 Ų | 50 | 28% | 0.282 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -12.2 | 179.1 | -62.7 | -85.2 | 0 | 0 | 0 | 114.3 | Y41 K291 T344 | Y41-Y43 AromaticContact CD1-CD1 3.62Å; Y41-Y43 HydrophobicContact CD1-CD1 3.62Å; Y41-Y43 HydrophobicContact CD1-CD2 4.18Å; Y41-Y43 AromaticContact CD1-CE1 3.69Å; Y41-Y43 HydrophobicContact CD1-CE1 3.69Å; Y41-Y43 HydrophobicContact CD1-CE2 4.25Å; Y41-Y43 AromaticContact CD1-CG 3.86Å; Y41-Y43 HydrophobicContact CD1-CG 3.86Å; Y41-Y43 HydrophobicContact CE1-CD1 4.11Å; Y41-Y43 HydrophobicContact CE1-CE1 4.43Å; Y41-Y43 HydrophobicContact CE1-CG 4.48Å; Y41-Y43 VanDerWaalsContact O-CD2 3.23Å; Y41-Y43 WeakPolarHBondContact O-CD2 3.35Å; Y41-Y43 WeakPolarHBondContact O-CE2 3.26Å; Y41-Y43 PolarHBondContact O-N 2.79Å; Y43-K291 HydrophobicContact CD2-CB 4.49Å; Y43-K291 HydrophobicContact CD2-CD 4.4Å; Y43-K291 HydrophobicContact CE1-CB 4.23Å; Y43-K291 WeakPolarHBondContact CE1-O 3.22Å; Y43-K291 HydrophobicContact CE2-CB 4.04Å; Y43-T344 HydrophobicContact CE1-CG2 3.99Å |
| 44 | W | 72.8 | Confident | 76.2 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.3 | 178.4 | -65.4 | 96.7 | 0 | 0 | 0 | 114.2 | D42 D46 F77 P78 S79 K80 A294 R295 | D42-W44 PolarHBondContact O-N 2.84Å; D42-W44 WeakPolarHBondContact OD1-CB 3.49Å; D42-W44 PolarHBondContact OD1-N 2.96Å; W44-D46 PolarHBondContact O-N 3.43Å; W44-F77 VanDerWaalsContact CD1-O 3.25Å; W44-F77 PolarHBondContact NE1-O 3.28Å; W44-P78 WeakPolarHBondContact CZ2-O 3.36Å; W44-S79 VanDerWaalsContact CE2-CA 3.41Å; W44-K80 HydrophobicContact CB-CG 3.71Å; W44-K80 HydrophobicContact CD2-CG 4.37Å; W44-K80 HydrophobicContact CE3-CG 4Å; W44-K80 HydrophobicContact CG-CG 4.31Å; W44-K80 VanDerWaalsContact O-CE 3.26Å; W44-K80 WeakPolarHBondContact O-CE 3.19Å; W44-A294 HydrophobicContact CD2-CB 3.47Å; W44-A294 VanDerWaalsContact CD2-CB 3.47Å; W44-A294 VanDerWaalsContact CE2-CB 3.42Å; W44-A294 HydrophobicContact CE3-CB 4Å; W44-A294 HydrophobicContact CG-CB 3.73Å; W44-A294 HydrophobicContact CH2-CB 4.43Å; W44-A294 HydrophobicContact CZ2-CB 3.93Å; W44-A294 HydrophobicContact CZ3-CB 4.45Å; W44-R295 HydrophobicContact CH2-CG 3.91Å; W44-R295 HydrophobicContact CZ3-CG 3.86Å |
| 45 | Q | 68.9 | Low | 76.2 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | trans | -94.2 | 93.4 | -178 | -61.6 | -66.8 | -14.8 | 0 | 0 | 112 | D42 T47 K48 V50 | D42-Q45 HydrophobicContact CB-CG 3.94Å; D42-Q45 PolarHBondContact O-N 2.93Å; D42-Q45 VanDerWaalsContact O-N 3.14Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.16Å; D42-Q45 PolarHBondContact OD2-NE2 3.3Å; Q45-T47 PolarHBondContact O-N 3.06Å; Q45-K48 VanDerWaalsContact CB-O 3.28Å; Q45-K48 WeakPolarHBondContact CB-O 3.41Å; Q45-V50 HydrophobicContact CB-CG2 4.31Å; Q45-V50 HydrophobicContact CG-CB 3.96Å; Q45-V50 HydrophobicContact CG-CG2 3.8Å | ||
| 46 | D | 63 | Low | 76 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -69.2 | -14.2 | -177.4 | -42.9 | -56.4 | 0 | 0 | 0 | 114 | W44 K80 | W44-D46 PolarHBondContact O-N 3.43Å; D46-K80 IonicContact OD2-NZ 3.73Å; D46-K80 PolarHBondContact OD2-NZ 3.5Å |
| 47 | T | 61.4 | Low | 75.3 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -119.9 | -13.4 | -168.7 | 60.8 | 0 | 0 | 0 | 0 | 115.6 | Q45 | Q45-T47 PolarHBondContact O-N 3.06Š|
| 48 | K | 64 | Low | 73.8 | Confident | 139 Ų | 139 | 46.2 Ų | 46.2 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -149.3 | 138.5 | -175.6 | -66.1 | 179.3 | -175.6 | 171 | 0 | 109.9 | Q45 V50 | Q45-K48 VanDerWaalsContact CB-O 3.28Å; Q45-K48 WeakPolarHBondContact CB-O 3.41Å; K48-V50 HydrophobicContact CB-CG2 4.34Å; K48-V50 PolarHBondContact O-N 3.33Å |
| 49 | H | 71.4 | Confident | 71.8 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 43% | 0.431 | 24% | 0.239 | S | C | . | . | trans | -70.7 | 101.7 | 167.2 | -59.1 | -42 | 0 | 0 | 0 | 109.3 | Y41 L403 F406 F408 | Y41-H49 HydrophobicContact CE2-CB 4.04Å; Y41-H49 AromaticContact CE2-ND1 4Å; Y41-H49 AromaticContact CZ-ND1 3.93Å; Y41-H49 PolarHBondContact OH-ND1 2.84Å; H49-L403 HydrophobicContact CB-CD1 4.47Å; H49-L403 VanDerWaalsContact ND1-CD1 3.33Å; H49-L403 WeakPolarHBondContact ND1-CD1 3.13Å; H49-F406 AromaticContact CD2-CD2 3.95Å; H49-F406 AromaticContact NE2-CD2 3.64Å; H49-F408 HydrophobicContact CB-CE2 4.29Å; H49-F408 HydrophobicContact CB-CZ 4.2Å | ||
| 50 | V | 70.5 | Confident | 69.9 | Low | 44 Ų | 44 | 47.3 Ų | 47.3 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -100.4 | 121.6 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | Y41 D42 Q45 K48 | Y41-V50 WeakPolarHBondContact CD2-O 3.49Å; D42-V50 HydrophobicContact CB-CB 4.04Å; D42-V50 HydrophobicContact CB-CG1 4.05Å; D42-V50 PolarHBondContact N-O 2.8Å; Q45-V50 HydrophobicContact CB-CG2 4.31Å; Q45-V50 HydrophobicContact CG-CB 3.96Å; Q45-V50 HydrophobicContact CG-CG2 3.8Å; K48-V50 HydrophobicContact CB-CG2 4.34Å; K48-V50 PolarHBondContact O-N 3.33Å | ||
| 51 | L | 76.4 | Confident | 68.3 | Low | 39 Ų | 39 | 50.1 Ų | 50.1 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.8 | 179.3 | -67.4 | 151.9 | 0 | 0 | 0 | 108.3 | L39 F40 Y41 V401 F408 L415 | L39-L51 HydrophobicContact CD1-CB 4.27Å; L39-L51 HydrophobicContact CD1-CD2 4.21Å; L39-L51 HydrophobicContact CD2-CD2 4.4Å; L39-L51 HydrophobicContact CG-CD2 4.2Å; F40-L51 CarbonylContact O-C 3.54Å; F40-L51 VanDerWaalsContact O-CA 3.29Å; F40-L51 WeakPolarHBondContact O-CA 3.46Å; Y41-L51 HydrophobicContact CD2-CD2 3.86Å; Y41-L51 HydrophobicContact CD2-CG 4.33Å; L51-V401 HydrophobicContact CD2-CB 3.98Å; L51-V401 HydrophobicContact CD2-CG1 4.06Å; L51-V401 HydrophobicContact CD2-CG2 3.93Å; L51-F408 HydrophobicContact CD1-CB 3.89Å; L51-F408 HydrophobicContact CD1-CD1 3.36Å; L51-F408 HydrophobicContact CD1-CD2 3.74Å; L51-F408 HydrophobicContact CD1-CE1 3.69Å; L51-F408 HydrophobicContact CD1-CE2 4.05Å; L51-F408 HydrophobicContact CD1-CG 3.37Å; L51-F408 HydrophobicContact CD1-CZ 4.02Å; L51-F408 HydrophobicContact CD2-CB 4.18Å; L51-F408 HydrophobicContact CD2-CD2 4.22Å; L51-F408 HydrophobicContact CD2-CG 4.24Å; L51-F408 HydrophobicContact CG-CG 4.43Å; L51-L415 HydrophobicContact CD1-CD2 4.33Å |
| 52 | A | 75.5 | Confident | 65.6 | Low | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F40 I75 F77 | F40-A52 HydrophobicContact CB-CB 4.4Å; F40-A52 PolarHBondContact N-O 3.35Å; F40-A52 PolarHBondContact O-N 3.11Å; A52-I75 HydrophobicContact CB-CD1 4.36Å; A52-I75 HydrophobicContact CB-CG2 3.93Å; A52-F77 HydrophobicContact CB-CE2 4.39Å; A52-F77 HydrophobicContact CB-CZ 4.02Å |
| 53 | T | 77.3 | Confident | 63.2 | Low | 10 Ų | 10 | 54.7 Ų | 54.7 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | trans | -145.4 | 156.6 | 166.9 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | G38 L55 L60 C61 L410 | G38-T53 WeakPolarHBondContact O-CB 3.3Å; G38-T53 PolarHBondContact O-OG1 3.3Å; T53-L55 HydrophobicContact CG2-CD2 4.06Å; T53-L60 WeakPolarHBondContact O-CD1 3.4Å; T53-C61 PolarHBondContact O-N 3Å; T53-L410 HydrophobicContact CG2-CD1 4.1Å; T53-L410 WeakPolarHBondContact OG1-CD2 3.41Å | ||
| 54 | L | 74.3 | Confident | 60.6 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -100.9 | 143.4 | 177.7 | -170 | 74.1 | 0 | 0 | 0 | 109.3 | A15 R16 M58 L60 A73 | A15-L54 CarbonylContact C-O 3.54Å; R16-L54 HydrophobicContact CB-CB 4.24Å; R16-L54 HydrophobicContact CB-CD2 4.2Å; R16-L54 HydrophobicContact CB-CG 4.16Å; R16-L54 WeakPolarHBondContact CB-O 3.45Å; R16-L54 HydrophobicContact CG-CD2 4.45Å; R16-L54 PolarHBondContact N-O 3.18Å; L54-M58 HydrophobicContact CD1-CE 4.39Å; L54-M58 HydrophobicContact CD2-CE 3.98Å; L54-M58 HydrophobicContact CD2-SD 3.98Å; L54-L60 HydrophobicContact CB-CD1 4.38Å; L54-L60 HydrophobicContact CD1-CB 4.07Å; L54-L60 HydrophobicContact CD1-CD1 4.2Å; L54-A73 HydrophobicContact CD2-CB 3.29Å |
| 55 | L | 73.8 | Confident | 58.5 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 166.7 | -176.1 | -50.6 | -177.1 | 0 | 0 | 0 | 112.4 | L11 S12 A15 T53 D57 M58 S59 | L11-L55 HydrophobicContact CB-CD2 4.46Å; L11-L55 HydrophobicContact CD1-CD2 4.11Å; S12-L55 WeakPolarHBondContact OG-CD1 3.2Å; A15-L55 HydrophobicContact CB-CD2 4.37Å; T53-L55 HydrophobicContact CG2-CD2 4.06Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 3.1Å; L55-M58 WeakPolarHBondContact O-CA 3.21Å; L55-M58 PolarHBondContact O-N 3.28Å; L55-S59 WeakPolarHBondContact CA-O 3.42Å; L55-S59 WeakPolarHBondContact CB-O 3.44Å; L55-S59 PolarHBondContact N-O 2.83Å |
| 56 | S | 74.4 | Confident | 56.7 | Low | 59 Ų | 59 | 59.6 Ų | 59.6 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.6 | -170.1 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | S14 R16 M58 | S14-S56 VanDerWaalsContact O-CB 3.3Å; S14-S56 WeakPolarHBondContact O-CB 3.15Å; S14-S56 PolarHBondContact O-N 2.95Å; S14-S56 PolarHBondContact O-OG 2.8Å; R16-S56 PolarHBondContact NH1-O 2.97Å; S56-M58 PolarHBondContact O-N 3.18Å |
| 57 | D | 66.3 | Low | 55.1 | Low | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 7.1 | 172 | 71 | -17.4 | 0 | 0 | 0 | 114 | L55 S59 | L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 3.1Å; D57-S59 VanDerWaalsContact CG-OG 3.24Å; D57-S59 PolarHBondContact O-N 3.12Å; D57-S59 WeakPolarHBondContact OD1-CA 3.36Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.19Å; D57-S59 PolarHBondContact OD1-OG 3.2Å; D57-S59 WeakPolarHBondContact OD2-CB 3.23Å; D57-S59 PolarHBondContact OD2-OG 2.94Å; D57-S59 VanDerWaalsContact OD2-OG 3.12Å |
| 58 | M | 58 | Low | 53.9 | Low | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 63 | 3 | -169.1 | -78.7 | -62.1 | -57.8 | 0 | 0 | 114.9 | R16 L54 L55 S56 L60 C64 W65 R70 E87 | R16-M58 VanDerWaalsContact CD-SD 3.55Å; R16-M58 PolarHBondContact NE-SD 3.01Å; R16-M58 VanDerWaalsContact NE-SD 3.35Å; R16-M58 PolarHBondContact NH1-SD 2.65Å; R16-M58 VanDerWaalsContact NH1-SD 3.39Å; L54-M58 HydrophobicContact CD1-CE 4.39Å; L54-M58 HydrophobicContact CD2-CE 3.98Å; L54-M58 HydrophobicContact CD2-SD 3.98Å; L55-M58 WeakPolarHBondContact O-CA 3.21Å; L55-M58 PolarHBondContact O-N 3.28Å; S56-M58 PolarHBondContact O-N 3.18Å; M58-L60 PolarHBondContact O-N 3.26Å; M58-C64 WeakPolarHBondContact O-CA 3.15Å; M58-C64 PolarHBondContact O-N 2.81Å; M58-W65 WeakPolarHBondContact CE-O 3.04Å; M58-W65 VanDerWaalsContact CG-O 3.3Å; M58-W65 WeakPolarHBondContact CG-O 3.22Å; M58-R70 PolarHBondContact SD-NH1 3.41Å; M58-E87 HydrophobicContact CE-CB 4.17Å; M58-E87 HydrophobicContact CE-CG 4.04Å |
| 59 | S | 46.7 | Very low | 53.1 | Low | 17 Ų | 17 | 58 Ų | 58 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | trans | -63.5 | 128.9 | 164.8 | 75.6 | 0 | 0 | 0 | 0 | 108 | L55 D57 | L55-S59 WeakPolarHBondContact CA-O 3.42Å; L55-S59 WeakPolarHBondContact CB-O 3.44Å; L55-S59 PolarHBondContact N-O 2.83Å; D57-S59 VanDerWaalsContact CG-OG 3.24Å; D57-S59 PolarHBondContact O-N 3.12Å; D57-S59 WeakPolarHBondContact OD1-CA 3.36Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.19Å; D57-S59 PolarHBondContact OD1-OG 3.2Å; D57-S59 WeakPolarHBondContact OD2-CB 3.23Å; D57-S59 PolarHBondContact OD2-OG 2.94Å; D57-S59 VanDerWaalsContact OD2-OG 3.12Å | ||
| 60 | L | 48 | Very low | 52.1 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 160.4 | 147.6 | -167 | 83.9 | 0 | 0 | 0 | 105.4 | T53 L54 M58 Q62 A63 I75 | T53-L60 WeakPolarHBondContact O-CD1 3.4Å; L54-L60 HydrophobicContact CB-CD1 4.38Å; L54-L60 HydrophobicContact CD1-CB 4.07Å; L54-L60 HydrophobicContact CD1-CD1 4.2Å; M58-L60 PolarHBondContact O-N 3.26Å; L60-Q62 CarbonylContact O-C 3.55Å; L60-Q62 WeakPolarHBondContact O-CA 3.43Å; L60-Q62 PolarHBondContact O-N 3.17Å; L60-Q62 VanDerWaalsContact O-N 3.14Å; L60-A63 WeakPolarHBondContact CB-O 3.38Å; L60-A63 PolarHBondContact N-O 2.78Å; L60-A63 PolarHBondContact O-N 3.35Å; L60-I75 HydrophobicContact CD1-CD1 4.13Å; L60-I75 HydrophobicContact CD1-CG2 4.43Å; L60-I75 HydrophobicContact CD2-CD1 3.65Å |
| 61 | C | 51 | Low | 51.6 | Low | 99 Ų | 99 | 52.9 Ų | 52.9 | 67% | 0.669 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 69.7 | 142.4 | -165.6 | 0 | 0 | 0 | 0 | 105.2 | T53 | T53-C61 PolarHBondContact O-N 3Š|
| 62 | Q | 27.2 | Very low | 51.1 | Low | 100 Ų | 100 | 51.1 Ų | 51.1 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -139.5 | 112.2 | 43.5 | 176.9 | -168.8 | -6.6 | 0 | 0 | 116 | L60 C103 W106 | L60-Q62 CarbonylContact O-C 3.55Å; L60-Q62 WeakPolarHBondContact O-CA 3.43Å; L60-Q62 PolarHBondContact O-N 3.17Å; L60-Q62 VanDerWaalsContact O-N 3.14Å; Q62-C103 PolarHBondContact NE2-O 2.85Å; Q62-W106 WeakPolarHBondContact O-CZ2 3.48Å |
| 63 | A | 27 | Very low | 50.7 | Low | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | trans | 63.5 | 165.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | L60 W106 | L60-A63 WeakPolarHBondContact CB-O 3.38Å; L60-A63 PolarHBondContact N-O 2.78Å; L60-A63 PolarHBondContact O-N 3.35Å; A63-W106 HydrophobicContact CB-CZ2 4.03Å | ||
| 64 | C | 25.7 | Very low | 50 | Low | 44 Ų | 44 | 50.7 Ų | 50.7 | 30% | 0.297 | 28% | 0.276 | S | S | . | . | cis | -170.6 | 159.5 | -30.2 | -88.7 | 0 | 0 | 0 | 0 | 107.4 | M58 | M58-C64 WeakPolarHBondContact O-CA 3.15Å; M58-C64 PolarHBondContact O-N 2.81Å | ||
| 65 | W | 28.2 | Very low | 49.9 | Very low | 160 Ų | 160 | 50.9 Ų | 50.9 | 61% | 0.606 | 28% | 0.277 | S | S | * | . | cis | -157.4 | -156.3 | 11 | -154.8 | 34.2 | 0 | 0 | 0 | 115.9 | M58 R70 | M58-W65 WeakPolarHBondContact CE-O 3.04Å; M58-W65 VanDerWaalsContact CG-O 3.3Å; M58-W65 WeakPolarHBondContact CG-O 3.22Å; W65-R70 PolarHBondContact O-NH2 3.39Å | ||
| 66 | N | 29.7 | Very low | 50 | Low | 69 Ų | 69 | 51.7 Ų | 51.7 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | trans | -40.9 | 149.2 | -172.1 | -83 | 21.5 | 0 | 0 | 0 | 122.2 | R70 | N66-R70 PolarHBondContact O-NH2 3Š| ||
| 67 | E | 30 | Very low | 50 | Low | 134 Ų | 134 | 50.1 Ų | 50.1 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | trans | 56.5 | 151.4 | 144.4 | -67 | 168.4 | -91 | 0 | 0 | 121.1 | R70 A89 | E67-R70 VanDerWaalsContact C-NH2 3.28Å; E67-R70 VanDerWaalsContact N-CZ 3.33Å; E67-R70 PolarHBondContact O-NE 3.29Å; E67-R70 PolarHBondContact O-NH2 3.39Å; E67-A89 WeakPolarHBondContact O-CB 3.22Å | ||
| 68 | S | 35.7 | Very low | 50.4 | Low | 78 Ų | 78 | 46.3 Ų | 46.3 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | cis | -150.5 | -176.2 | -15.6 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | R70 | S68-R70 VanDerWaalsContact C-CG 3.41Å; S68-R70 VanDerWaalsContact O-CG 3.26Å; S68-R70 WeakPolarHBondContact O-CG 3.02Å | ||
| 69 | N | 47.8 | Very low | 51.1 | Low | 125 Ų | 125 | 47 Ų | 47 | 67% | 0.668 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 41.7 | 73.6 | -174.5 | -164.3 | 36.9 | 0 | 0 | 0 | 114.4 | ||
| 70 | R | 49.9 | Very low | 52.1 | Low | 23 Ų | 23 | 50.5 Ų | 50.5 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | trans | -115.2 | 148.7 | -153.9 | -60.9 | -166.3 | 158.5 | -150.6 | -18.8 | 115.3 | L18 Q24 M58 W65 N66 E67 S68 E87 G88 A89 | L18-R70 HydrophobicContact CD1-CB 3.54Å; Q24-R70 PolarHBondContact NE2-O 3.43Å; M58-R70 PolarHBondContact SD-NH1 3.41Å; W65-R70 PolarHBondContact O-NH2 3.39Å; N66-R70 PolarHBondContact O-NH2 3Å; E67-R70 VanDerWaalsContact C-NH2 3.28Å; E67-R70 VanDerWaalsContact N-CZ 3.33Å; E67-R70 PolarHBondContact O-NE 3.29Å; E67-R70 PolarHBondContact O-NH2 3.39Å; S68-R70 VanDerWaalsContact C-CG 3.41Å; S68-R70 VanDerWaalsContact O-CG 3.26Å; S68-R70 WeakPolarHBondContact O-CG 3.02Å; R70-E87 IonicContact NH2-OE2 2.65Å; R70-G88 CarbonylContact C-O 3.05Å; R70-G88 VanDerWaalsContact CA-O 3.26Å; R70-G88 WeakPolarHBondContact CA-O 3.46Å; R70-A89 HydrophobicContact CG-CB 3.66Å; R70-A89 VanDerWaalsContact CZ-CB 3.42Å; R70-A89 VanDerWaalsContact NH2-CB 3.32Å | ||
| 71 | V | 61 | Low | 53.1 | Low | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | trans | -98.1 | 170.4 | 152.1 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | L18 F32 G88 F114 V115 | L18-V71 WeakPolarHBondContact CD1-O 3.3Å; F32-V71 HydrophobicContact CE1-CB 3.82Å; F32-V71 HydrophobicContact CE1-CG1 3.69Å; F32-V71 HydrophobicContact CZ-CB 4.28Å; F32-V71 HydrophobicContact CZ-CG1 4.24Å; V71-G88 WeakPolarHBondContact CG2-O 3.31Å; V71-G88 PolarHBondContact N-O 2.73Å; V71-G88 WeakPolarHBondContact O-CA 3.36Å; V71-F114 VanDerWaalsContact CG2-C 3.4Å; V71-V115 HydrophobicContact CB-CG2 4.28Å; V71-V115 HydrophobicContact CG2-CG2 3.98Å | ||
| 72 | N | 66.2 | Low | 54 | Low | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | trans | -59.1 | 143.7 | 176.8 | -75 | -47.8 | 0 | 0 | 0 | 111.8 | L18 Y36 V115 | L18-N72 WeakPolarHBondContact CB-OD1 3.41Å; L18-N72 PolarHBondContact N-OD1 3.48Å; Y36-N72 WeakPolarHBondContact CB-ND2 3.32Å; Y36-N72 HydrophobicContact CD1-CB 3.69Å; Y36-N72 HydrophobicContact CD2-CB 3.6Å; Y36-N72 HydrophobicContact CE1-CB 3.56Å; Y36-N72 HydrophobicContact CE2-CB 3.47Å; Y36-N72 VanDerWaalsContact CE2-CB 3.47Å; Y36-N72 HydrophobicContact CG-CB 3.69Å; Y36-N72 VanDerWaalsContact CG-ND2 3.35Å; Y36-N72 VanDerWaalsContact CZ-CB 3.42Å; N72-V115 VanDerWaalsContact O-CG2 3.32Å; N72-V115 WeakPolarHBondContact O-CG2 3.39Å | ||
| 73 | A | 65.8 | Low | 55.9 | Low | 6 Ų | 6 | 45.6 Ų | 45.6 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | trans | -99.3 | 114.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y36 L54 S86 E87 | Y36-A73 PolarHBondContact OH-O 3.35Å; L54-A73 HydrophobicContact CD2-CB 3.29Å; A73-S86 CarbonylContact C-O 3.59Å; A73-S86 VanDerWaalsContact CA-O 3.25Å; A73-S86 WeakPolarHBondContact CA-O 3.29Å; A73-S86 WeakPolarHBondContact CB-O 3.41Å; A73-E87 VanDerWaalsContact CB-C 3.45Å; A73-E87 WeakPolarHBondContact CB-O 3.33Å | ||
| 74 | S | 62.9 | Low | 57.8 | Low | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -113.8 | 140.9 | -162.3 | 58 | 0 | 0 | 0 | 0 | 113.4 | Y36 S86 V116 | Y36-S74 VanDerWaalsContact OH-CA 3.29Å; Y36-S74 WeakPolarHBondContact OH-CA 3.48Å; Y36-S74 WeakPolarHBondContact OH-CB 3.49Å; Y36-S74 PolarHBondContact OH-N 3.1Å; S74-S86 PolarHBondContact N-O 2.63Å; S74-S86 PolarHBondContact O-N 3.29Å; S74-V116 PolarHBondContact OG-N 3.01Å | ||
| 75 | I | 73.3 | Confident | 59.7 | Low | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.6 | 172.6 | -172.5 | 166.4 | 0 | 0 | 0 | 111.9 | F40 A52 L60 F77 L84 L85 | F40-I75 HydrophobicContact CB-CG2 3.64Å; F40-I75 HydrophobicContact CD1-CG2 4.05Å; F40-I75 WeakPolarHBondContact CD1-O 3.44Å; F40-I75 HydrophobicContact CD2-CG2 3.5Å; F40-I75 HydrophobicContact CE2-CG2 4.19Å; F40-I75 HydrophobicContact CG-CG2 3.43Å; F40-I75 VanDerWaalsContact CG-CG2 3.43Å; A52-I75 HydrophobicContact CB-CD1 4.36Å; A52-I75 HydrophobicContact CB-CG2 3.93Å; L60-I75 HydrophobicContact CD1-CD1 4.13Å; L60-I75 HydrophobicContact CD1-CG2 4.43Å; L60-I75 HydrophobicContact CD2-CD1 3.65Å; I75-F77 HydrophobicContact CD1-CE1 3.87Å; I75-F77 HydrophobicContact CD1-CE2 4.5Å; I75-F77 HydrophobicContact CD1-CZ 3.65Å; I75-F77 HydrophobicContact CG1-CE1 4.19Å; I75-F77 HydrophobicContact CG1-CE2 4.36Å; I75-F77 HydrophobicContact CG1-CZ 3.93Å; I75-L84 CarbonylContact C-O 3.54Å; I75-L84 VanDerWaalsContact CA-O 3.23Å; I75-L84 WeakPolarHBondContact CA-O 3.29Å; I75-L84 WeakPolarHBondContact CG1-O 3.33Å; I75-L85 HydrophobicContact CB-CD1 4.3Å |
| 76 | S | 74.8 | Confident | 61.6 | Low | 18 Ų | 18 | 34.6 Ų | 34.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.2 | 175.4 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | P78 A83 L84 S119 | S76-P78 WeakPolarHBondContact O-CD 3.35Å; S76-A83 CarbonylContact O-C 3.55Å; S76-A83 WeakPolarHBondContact O-CA 3.43Å; S76-L84 PolarHBondContact N-O 3.45Å; S76-L84 PolarHBondContact O-N 3.04Å; S76-S119 WeakPolarHBondContact CB-OG 3.5Å; S76-S119 PolarHBondContact OG-OG 3.22Å |
| 77 | F | 75.3 | Confident | 63 | Low | 27 Ų | 27 | 31.5 Ų | 31.5 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | trans | -117.7 | 89.8 | -177.1 | -59.9 | -74.5 | 0 | 0 | 0 | 109.7 | D42 W44 A52 I75 S79 A83 | D42-F77 HydrophobicContact CB-CD2 3.88Å; D42-F77 HydrophobicContact CB-CE2 3.93Å; D42-F77 HydrophobicContact CB-CG 4.22Å; D42-F77 HydrophobicContact CB-CZ 4.31Å; W44-F77 VanDerWaalsContact CD1-O 3.25Å; W44-F77 PolarHBondContact NE1-O 3.28Å; A52-F77 HydrophobicContact CB-CE2 4.39Å; A52-F77 HydrophobicContact CB-CZ 4.02Å; I75-F77 HydrophobicContact CD1-CE1 3.87Å; I75-F77 HydrophobicContact CD1-CE2 4.5Å; I75-F77 HydrophobicContact CD1-CZ 3.65Å; I75-F77 HydrophobicContact CG1-CE1 4.19Å; I75-F77 HydrophobicContact CG1-CE2 4.36Å; I75-F77 HydrophobicContact CG1-CZ 3.93Å; F77-S79 VanDerWaalsContact C-N 3.29Å; F77-S79 PolarHBondContact O-N 3.05Å; F77-A83 HydrophobicContact CD1-CB 3.69Å; F77-A83 HydrophobicContact CE1-CB 3.79Å | ||
| 78 | P | 73.7 | Confident | 64.4 | Low | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -74 | -13.7 | -179.5 | 28.4 | -37.6 | 0 | 0 | 0 | 114.5 | W44 S76 Y82 L84 S119 I121 I131 | W44-P78 WeakPolarHBondContact CZ2-O 3.36Å; S76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-Y82 VanDerWaalsContact CD-O 3.24Å; P78-Y82 WeakPolarHBondContact CD-O 3.41Å; P78-L84 HydrophobicContact CG-CD1 4.37Å; P78-L84 HydrophobicContact CG-CG 3.98Å; P78-S119 WeakPolarHBondContact CD-OG 3.32Å; P78-I121 HydrophobicContact CB-CG1 3.97Å; P78-I121 HydrophobicContact CG-CG1 4.4Å; P78-I131 HydrophobicContact CB-CG2 4.08Å; P78-I131 HydrophobicContact CG-CD1 4.49Å; P78-I131 HydrophobicContact CG-CG2 4.06Å |
| 79 | S | 72.9 | Confident | 65.5 | Low | 17 Ų | 17 | 22.4 Ų | 22.4 | 12% | 0.119 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -156.9 | -177.4 | 169.9 | 80.8 | 0 | 0 | 0 | 0 | 112.3 | W44 F77 E81 Y82 R100 I121 | W44-S79 VanDerWaalsContact CE2-CA 3.41Å; F77-S79 VanDerWaalsContact C-N 3.29Å; F77-S79 PolarHBondContact O-N 3.05Å; S79-E81 PolarHBondContact O-N 2.92Å; S79-E81 PolarHBondContact OG-N 3.44Å; S79-Y82 PolarHBondContact OG-N 2.84Å; S79-Y82 VanDerWaalsContact OG-N 3.12Å; S79-R100 PolarHBondContact O-NH1 3.45Å; S79-R100 PolarHBondContact O-NH2 3.22Å; S79-I121 WeakPolarHBondContact OG-CD1 3.42Å |
| 80 | K | 68.9 | Low | 65.9 | Low | 91 Ų | 91 | 16.9 Ų | 16.9 | 40% | 0.396 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -61 | -29.9 | 167.1 | -74.9 | -176.2 | 179.3 | -147.1 | 0 | 113.9 | W44 D46 R100 | W44-K80 HydrophobicContact CB-CG 3.71Å; W44-K80 HydrophobicContact CD2-CG 4.37Å; W44-K80 HydrophobicContact CE3-CG 4Å; W44-K80 HydrophobicContact CG-CG 4.31Å; W44-K80 VanDerWaalsContact O-CE 3.26Å; W44-K80 WeakPolarHBondContact O-CE 3.19Å; D46-K80 IonicContact OD2-NZ 3.73Å; D46-K80 PolarHBondContact OD2-NZ 3.5Å; K80-R100 VanDerWaalsContact C-NH2 3.35Å; K80-R100 VanDerWaalsContact O-CZ 3.28Å; K80-R100 PolarHBondContact O-NH2 3.44Å; K80-R100 VanDerWaalsContact O-NH2 3.17Å |
| 81 | E | 68.9 | Low | 66.1 | Low | 101 Ų | 101 | 19.2 Ų | 19.2 | 47% | 0.472 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -101.3 | -23.6 | -172.1 | -66.5 | -174.2 | 163.2 | 0 | 0 | 113.8 | S79 F96 T97 G98 | S79-E81 PolarHBondContact O-N 2.92Å; S79-E81 PolarHBondContact OG-N 3.44Å; E81-F96 HydrophobicContact CB-CD2 4.11Å; E81-F96 HydrophobicContact CB-CE2 3.87Å; E81-F96 HydrophobicContact CG-CE2 4.19Å; E81-F96 CarbonylContact O-C 3.56Å; E81-T97 PolarHBondContact O-N 2.9Å; E81-T97 PolarHBondContact O-OG1 3.11Å; E81-T97 VanDerWaalsContact O-OG1 3.06Å; E81-G98 PolarHBondContact O-N 2.75Å |
| 82 | Y | 69.3 | Low | 66.1 | Low | 10 Ų | 10 | 19 Ų | 19 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.7 | -174 | -65.9 | -94.6 | 0 | 0 | 0 | 113.1 | P78 S79 I94 F95 F96 R100 I121 F129 I131 R160 W165 | P78-Y82 VanDerWaalsContact CD-O 3.24Å; P78-Y82 WeakPolarHBondContact CD-O 3.41Å; S79-Y82 PolarHBondContact OG-N 2.84Å; S79-Y82 VanDerWaalsContact OG-N 3.12Å; Y82-I94 HydrophobicContact CD1-CG2 4.41Å; Y82-F95 WeakPolarHBondContact CA-O 3.39Å; Y82-F95 WeakPolarHBondContact CD1-O 3.45Å; Y82-F96 HydrophobicContact CD1-CB 4.32Å; Y82-F96 HydrophobicContact CD2-CD2 4.48Å; Y82-F96 HydrophobicContact CE1-CB 3.84Å; Y82-F96 AromaticContact CE1-CD2 3.9Å; Y82-F96 HydrophobicContact CE1-CD2 3.9Å; Y82-F96 HydrophobicContact CE1-CG 4.36Å; Y82-F96 AromaticContact CE2-CD2 3.83Å; Y82-F96 HydrophobicContact CE2-CD2 3.83Å; Y82-F96 HydrophobicContact CE2-CE2 4.34Å; Y82-F96 AromaticContact CZ-CD2 3.47Å; Y82-F96 VanDerWaalsContact CZ-CD2 3.47Å; Y82-F96 WeakPolarHBondContact OH-CD2 3.29Å; Y82-R100 VanDerWaalsContact N-NH2 3.2Å; Y82-R100 PolarHBondContact O-NH2 2.7Å; Y82-I121 HydrophobicContact CD2-CD1 3.49Å; Y82-I121 VanDerWaalsContact CD2-CD1 3.49Å; Y82-I121 HydrophobicContact CE2-CD1 4.23Å; Y82-I121 HydrophobicContact CG-CD1 3.99Å; Y82-F129 HydrophobicContact CD2-CE2 4.29Å; Y82-F129 HydrophobicContact CE1-CE2 4.04Å; Y82-F129 AromaticContact CE1-CZ 3.91Å; Y82-F129 HydrophobicContact CE1-CZ 3.91Å; Y82-F129 AromaticContact CE2-CE2 3.8Å; Y82-F129 HydrophobicContact CE2-CE2 3.8Å; Y82-F129 AromaticContact CE2-CZ 3.83Å; Y82-F129 HydrophobicContact CE2-CZ 3.83Å; Y82-F129 AromaticContact CZ-CE2 3.66Å; Y82-F129 AromaticContact CZ-CZ 3.36Å; Y82-F129 WeakPolarHBondContact OH-CZ 3.15Å; Y82-I131 HydrophobicContact CD1-CD1 4.29Å; Y82-I131 HydrophobicContact CG-CD1 4.37Å; Y82-R160 PolarHBondContact OH-NH1 3.3Å; Y82-W165 HydrophobicContact CD1-CZ2 4.33Å; Y82-W165 HydrophobicContact CE1-CZ2 4.04Å |
| 83 | A | 66.1 | Low | 65.6 | Low | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S76 F77 F95 T97 | S76-A83 CarbonylContact O-C 3.55Å; S76-A83 WeakPolarHBondContact O-CA 3.43Å; F77-A83 HydrophobicContact CD1-CB 3.69Å; F77-A83 HydrophobicContact CE1-CB 3.79Å; A83-F95 HydrophobicContact CB-CB 4.44Å; A83-F95 HydrophobicContact CB-CD2 4.26Å; A83-F95 PolarHBondContact N-O 3.49Å; A83-F95 VanDerWaalsContact N-O 3.07Å; A83-F95 PolarHBondContact O-N 2.84Å; A83-T97 HydrophobicContact CB-CG2 3.69Å |
| 84 | L | 66.6 | Low | 65.3 | Low | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.6 | 174.9 | -59.1 | -174.9 | 0 | 0 | 0 | 109.4 | I75 S76 P78 L92 L93 I94 S119 I131 C133 | I75-L84 CarbonylContact C-O 3.54Å; I75-L84 VanDerWaalsContact CA-O 3.23Å; I75-L84 WeakPolarHBondContact CA-O 3.29Å; I75-L84 WeakPolarHBondContact CG1-O 3.33Å; S76-L84 PolarHBondContact N-O 3.45Å; S76-L84 PolarHBondContact O-N 3.04Å; P78-L84 HydrophobicContact CG-CD1 4.37Å; P78-L84 HydrophobicContact CG-CG 3.98Å; L84-L92 HydrophobicContact CB-CD1 4.37Å; L84-L93 WeakPolarHBondContact CA-O 3.34Å; L84-I94 HydrophobicContact CD2-CB 4.04Å; L84-I94 HydrophobicContact CD2-CD1 4.31Å; L84-I94 HydrophobicContact CD2-CG1 3.74Å; L84-I94 HydrophobicContact CD2-CG2 3.8Å; L84-S119 WeakPolarHBondContact CD1-OG 3.16Å; L84-I131 HydrophobicContact CD1-CG2 4.03Å; L84-I131 HydrophobicContact CD2-CD1 4.3Å; L84-I131 HydrophobicContact CD2-CG2 4.34Å; L84-C133 WeakPolarHBondContact CD1-SG 3.38Å |
| 85 | L | 67.5 | Low | 65.2 | Low | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.8 | 169.5 | 175.7 | 62.3 | 0 | 0 | 0 | 108.6 | I75 L93 F95 | I75-L85 HydrophobicContact CB-CD1 4.3Å; L85-L93 HydrophobicContact CB-CB 4.44Å; L85-L93 HydrophobicContact CD2-CD1 4.41Å; L85-L93 PolarHBondContact N-O 3.35Å; L85-L93 WeakPolarHBondContact O-CB 2.92Å; L85-L93 PolarHBondContact O-N 2.9Å; L85-F95 HydrophobicContact CB-CE2 3.55Å; L85-F95 HydrophobicContact CB-CZ 3.88Å; L85-F95 HydrophobicContact CD2-CE2 4.19Å; L85-F95 HydrophobicContact CD2-CZ 4.15Å |
| 86 | S | 67.3 | Low | 64.6 | Low | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.1 | 158.1 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | A73 S74 G88 R91 F114 | A73-S86 CarbonylContact C-O 3.59Å; A73-S86 VanDerWaalsContact CA-O 3.25Å; A73-S86 WeakPolarHBondContact CA-O 3.29Å; A73-S86 WeakPolarHBondContact CB-O 3.41Å; S74-S86 PolarHBondContact N-O 2.63Å; S74-S86 PolarHBondContact O-N 3.29Å; S86-G88 PolarHBondContact O-N 3.2Å; S86-G88 PolarHBondContact OG-N 2.99Å; S86-R91 WeakPolarHBondContact CA-O 3.26Å; S86-F114 WeakPolarHBondContact CB-O 3.44Å; S86-F114 PolarHBondContact OG-O 2.96Å |
| 87 | E | 59.5 | Low | 63.9 | Low | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | trans | -72.9 | 0.2 | 168.9 | -65.7 | 178.8 | 174.9 | 0 | 0 | 112.2 | M58 R70 A73 A89 R91 L93 | M58-E87 HydrophobicContact CE-CB 4.17Å; M58-E87 HydrophobicContact CE-CG 4.04Å; R70-E87 IonicContact NH2-OE2 2.65Å; A73-E87 VanDerWaalsContact CB-C 3.45Å; A73-E87 WeakPolarHBondContact CB-O 3.33Å; E87-A89 HydrophobicContact CB-CB 4.15Å; E87-A89 WeakPolarHBondContact O-CB 3.33Å; E87-A89 PolarHBondContact O-N 3.26Å; E87-R91 HydrophobicContact CB-CB 4.41Å; E87-R91 PolarHBondContact N-O 3.13Å; E87-R91 WeakPolarHBondContact OE1-CD 3.44Å; E87-R91 IonicContact OE1-CZ 2.73Å; E87-R91 IonicContact OE1-NE 3.75Å; E87-R91 IonicContact OE1-NH1 3.5Å; E87-R91 PolarHBondContact OE1-NH1 2.93Å; E87-R91 WeakPolarHBondContact OE2-CD 3.49Å; E87-R91 IonicContact OE2-NH1 3.73Å; E87-R91 PolarHBondContact OE2-NH1 2.94Å; E87-L93 HydrophobicContact CG-CD1 4.22Å | ||
| 88 | G | 58.9 | Low | 63.2 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 70.2 | 10.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | R70 V71 S86 A113 | R70-G88 CarbonylContact C-O 3.05Å; R70-G88 VanDerWaalsContact CA-O 3.26Å; R70-G88 WeakPolarHBondContact CA-O 3.46Å; V71-G88 WeakPolarHBondContact CG2-O 3.31Å; V71-G88 PolarHBondContact N-O 2.73Å; V71-G88 WeakPolarHBondContact O-CA 3.36Å; S86-G88 PolarHBondContact O-N 3.2Å; S86-G88 PolarHBondContact OG-N 2.99Å; G88-A113 WeakPolarHBondContact O-CB 3.36Å |
| 89 | A | 59.1 | Low | 62.4 | Low | 21 Ų | 21 | 30.6 Ų | 30.6 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -133.6 | 16.4 | -152.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E67 R70 E87 | E67-A89 WeakPolarHBondContact O-CB 3.22Å; R70-A89 HydrophobicContact CG-CB 3.66Å; R70-A89 VanDerWaalsContact CZ-CB 3.42Å; R70-A89 VanDerWaalsContact NH2-CB 3.32Å; E87-A89 HydrophobicContact CB-CB 4.15Å; E87-A89 WeakPolarHBondContact O-CB 3.33Å; E87-A89 PolarHBondContact O-N 3.26Å |
| 90 | G | 55.1 | Low | 61.8 | Low | 9 Ų | 9 | 31.6 Ų | 31.6 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.4 | -24.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T110 K111 E112 | G90-T110 CarbonylContact O-C 3.58Å; G90-T110 PolarHBondContact O-OG1 2.7Å; G90-K111 VanDerWaalsContact CA-C 3.47Å; G90-K111 CarbonylContact O-C 3.23Å; G90-K111 VanDerWaalsContact O-CA 3.25Å; G90-K111 WeakPolarHBondContact O-CA 3.17Å; G90-K111 PolarHBondContact O-N 3Å; G90-E112 CarbonylContact C-O 3.54Å; G90-E112 VanDerWaalsContact CA-C 3.41Å; G90-E112 WeakPolarHBondContact CA-O 3.45Å; G90-E112 PolarHBondContact N-O 3.25Å; G90-E112 PolarHBondContact O-N 3.05Å |
| 91 | R | 55.6 | Low | 61.1 | Low | 73 Ų | 73 | 30.5 Ų | 30.5 | 28% | 0.275 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.6 | -153.8 | -160 | -170.7 | -149.2 | -178.3 | 13.7 | 112.5 | S86 E87 L93 Q108 | S86-R91 WeakPolarHBondContact CA-O 3.26Å; E87-R91 HydrophobicContact CB-CB 4.41Å; E87-R91 PolarHBondContact N-O 3.13Å; E87-R91 WeakPolarHBondContact OE1-CD 3.44Å; E87-R91 IonicContact OE1-CZ 2.73Å; E87-R91 IonicContact OE1-NE 3.75Å; E87-R91 IonicContact OE1-NH1 3.5Å; E87-R91 PolarHBondContact OE1-NH1 2.93Å; E87-R91 WeakPolarHBondContact OE2-CD 3.49Å; E87-R91 IonicContact OE2-NH1 3.73Å; E87-R91 PolarHBondContact OE2-NH1 2.94Å; R91-L93 HydrophobicContact CG-CD2 3.91Å; R91-L93 HydrophobicContact CG-CG 4.36Å; R91-Q108 HydrophobicContact CG-CG 4.36Å |
| 92 | L | 59.7 | Low | 59.8 | Low | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.2 | 162.8 | -170.5 | 70.7 | 0 | 0 | 0 | 109.2 | L84 L109 V116 C133 L135 F158 | L84-L92 HydrophobicContact CB-CD1 4.37Å; L92-L109 PolarHBondContact N-O 3.49Å; L92-V116 HydrophobicContact CD1-CG2 3.68Å; L92-C133 HydrophobicContact CD2-CB 4.39Å; L92-L135 HydrophobicContact CD1-CD2 4.39Å; L92-L135 HydrophobicContact CD2-CD1 4.31Å; L92-F158 HydrophobicContact CD2-CD2 4.15Å; L92-F158 HydrophobicContact CD2-CE2 3.41Å; L92-F158 VanDerWaalsContact CD2-CE2 3.41Å; L92-F158 HydrophobicContact CD2-CZ 3.73Å |
| 93 | L | 56.5 | Low | 58.4 | Low | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.2 | 176.5 | -58.1 | 177.4 | 0 | 0 | 0 | 109.5 | L84 L85 E87 R91 F95 K107 | L84-L93 WeakPolarHBondContact CA-O 3.34Å; L85-L93 HydrophobicContact CB-CB 4.44Å; L85-L93 HydrophobicContact CD2-CD1 4.41Å; L85-L93 PolarHBondContact N-O 3.35Å; L85-L93 WeakPolarHBondContact O-CB 2.92Å; L85-L93 PolarHBondContact O-N 2.9Å; E87-L93 HydrophobicContact CG-CD1 4.22Å; R91-L93 HydrophobicContact CG-CD2 3.91Å; R91-L93 HydrophobicContact CG-CG 4.36Å; L93-F95 HydrophobicContact CB-CD1 4.24Å; L93-F95 HydrophobicContact CB-CE1 3.42Å; L93-F95 VanDerWaalsContact CB-CE1 3.42Å; L93-F95 HydrophobicContact CB-CE2 4.5Å; L93-F95 HydrophobicContact CB-CZ 3.58Å; L93-F95 HydrophobicContact CD1-CE1 3.96Å; L93-F95 HydrophobicContact CD1-CZ 3.74Å; L93-F95 HydrophobicContact CG-CE1 4.28Å; L93-F95 HydrophobicContact CG-CZ 4.32Å; L93-K107 WeakPolarHBondContact CD2-O 3.44Å |
| 94 | I | 59.8 | Low | 57 | Low | 20 Ų | 20 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.3 | -179.6 | -49.2 | -170 | 0 | 0 | 0 | 108.9 | Y82 L84 I131 F158 W165 | Y82-I94 HydrophobicContact CD1-CG2 4.41Å; L84-I94 HydrophobicContact CD2-CB 4.04Å; L84-I94 HydrophobicContact CD2-CD1 4.31Å; L84-I94 HydrophobicContact CD2-CG1 3.74Å; L84-I94 HydrophobicContact CD2-CG2 3.8Å; I94-I131 HydrophobicContact CG2-CD1 3.63Å; I94-F158 HydrophobicContact CD1-CB 3.77Å; I94-F158 HydrophobicContact CD1-CD1 4.45Å; I94-F158 HydrophobicContact CD1-CD2 4.23Å; I94-F158 HydrophobicContact CD1-CG 3.9Å; I94-W165 HydrophobicContact CB-CD2 4.44Å; I94-W165 HydrophobicContact CB-CG 4.36Å; I94-W165 HydrophobicContact CD1-CB 4.35Å; I94-W165 HydrophobicContact CD1-CD2 3.78Å; I94-W165 HydrophobicContact CD1-CE3 4.03Å; I94-W165 HydrophobicContact CD1-CG 3.9Å; I94-W165 HydrophobicContact CG2-CD2 4.2Å; I94-W165 HydrophobicContact CG2-CH2 4.43Å; I94-W165 HydrophobicContact CG2-CZ2 3.66Å |
| 95 | F | 59.6 | Low | 55.4 | Low | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.3 | -173.7 | -52.1 | -37.7 | 0 | 0 | 0 | 110.8 | Y82 A83 L85 L93 T97 W106 | Y82-F95 WeakPolarHBondContact CA-O 3.39Å; Y82-F95 WeakPolarHBondContact CD1-O 3.45Å; A83-F95 HydrophobicContact CB-CB 4.44Å; A83-F95 HydrophobicContact CB-CD2 4.26Å; A83-F95 PolarHBondContact N-O 3.49Å; A83-F95 VanDerWaalsContact N-O 3.07Å; A83-F95 PolarHBondContact O-N 2.84Å; L85-F95 HydrophobicContact CB-CE2 3.55Å; L85-F95 HydrophobicContact CB-CZ 3.88Å; L85-F95 HydrophobicContact CD2-CE2 4.19Å; L85-F95 HydrophobicContact CD2-CZ 4.15Å; L93-F95 HydrophobicContact CB-CD1 4.24Å; L93-F95 HydrophobicContact CB-CE1 3.42Å; L93-F95 VanDerWaalsContact CB-CE1 3.42Å; L93-F95 HydrophobicContact CB-CE2 4.5Å; L93-F95 HydrophobicContact CB-CZ 3.58Å; L93-F95 HydrophobicContact CD1-CE1 3.96Å; L93-F95 HydrophobicContact CD1-CZ 3.74Å; L93-F95 HydrophobicContact CG-CE1 4.28Å; L93-F95 HydrophobicContact CG-CZ 4.32Å; F95-T97 HydrophobicContact CB-CG2 4.09Å; F95-W106 HydrophobicContact CB-CE3 4.43Å; F95-W106 HydrophobicContact CB-CZ3 3.99Å; F95-W106 AromaticContact CD1-CD2 3.94Å; F95-W106 HydrophobicContact CD1-CD2 3.94Å; F95-W106 AromaticContact CD1-CE3 3.15Å; F95-W106 HydrophobicContact CD1-CE3 3.15Å; F95-W106 HydrophobicContact CD1-CH2 4.33Å; F95-W106 AromaticContact CD1-CZ3 3.4Å; F95-W106 HydrophobicContact CD1-CZ3 3.4Å; F95-W106 HydrophobicContact CD2-CE3 4.26Å; F95-W106 AromaticContact CD2-CH2 3.99Å; F95-W106 HydrophobicContact CD2-CH2 3.99Å; F95-W106 AromaticContact CD2-CZ3 3.66Å; F95-W106 HydrophobicContact CD2-CZ3 3.66Å; F95-W106 HydrophobicContact CE1-CB 4.03Å; F95-W106 AromaticContact CE1-CD2 3.44Å; F95-W106 HydrophobicContact CE1-CD2 3.44Å; F95-W106 VanDerWaalsContact CE1-CD2 3.44Å; F95-W106 AromaticContact CE1-CE3 3.16Å; F95-W106 HydrophobicContact CE1-CE3 3.16Å; F95-W106 AromaticContact CE1-CG 3.9Å; F95-W106 HydrophobicContact CE1-CG 3.9Å; F95-W106 HydrophobicContact CE1-CH2 4.19Å; F95-W106 HydrophobicContact CE1-CZ2 4.46Å; F95-W106 AromaticContact CE1-CZ3 3.58Å; F95-W106 HydrophobicContact CE1-CZ3 3.58Å; F95-W106 HydrophobicContact CE2-CE3 4.28Å; F95-W106 AromaticContact CE2-CH2 3.85Å; F95-W106 HydrophobicContact CE2-CH2 3.85Å; F95-W106 HydrophobicContact CE2-CZ2 4.34Å; F95-W106 AromaticContact CE2-CZ3 3.84Å; F95-W106 HydrophobicContact CE2-CZ3 3.84Å; F95-W106 AromaticContact CG-CE3 3.73Å; F95-W106 HydrophobicContact CG-CE3 3.73Å; F95-W106 HydrophobicContact CG-CH2 4.21Å; F95-W106 AromaticContact CG-CZ3 3.41Å; F95-W106 HydrophobicContact CG-CZ3 3.41Å; F95-W106 VanDerWaalsContact CG-CZ3 3.41Å; F95-W106 AromaticContact CZ-CD2 3.88Å; F95-W106 HydrophobicContact CZ-CD2 3.88Å; F95-W106 AromaticContact CZ-CE3 3.76Å; F95-W106 HydrophobicContact CZ-CE3 3.76Å; F95-W106 HydrophobicContact CZ-CG 4.48Å; F95-W106 AromaticContact CZ-CH2 3.95Å; F95-W106 HydrophobicContact CZ-CH2 3.95Å; F95-W106 HydrophobicContact CZ-CZ2 4.11Å; F95-W106 AromaticContact CZ-CZ3 3.8Å; F95-W106 HydrophobicContact CZ-CZ3 3.8Å |
| 96 | F | 62.4 | Low | 54.2 | Low | 121 Ų | 121 | 48.5 Ų | 48.5 | 53% | 0.531 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 102 | 157.3 | 177 | -105.7 | 0 | 0 | 0 | 107 | E81 Y82 | E81-F96 HydrophobicContact CB-CD2 4.11Å; E81-F96 HydrophobicContact CB-CE2 3.87Å; E81-F96 HydrophobicContact CG-CE2 4.19Å; E81-F96 CarbonylContact O-C 3.56Å; Y82-F96 HydrophobicContact CD1-CB 4.32Å; Y82-F96 HydrophobicContact CD2-CD2 4.48Å; Y82-F96 HydrophobicContact CE1-CB 3.84Å; Y82-F96 AromaticContact CE1-CD2 3.9Å; Y82-F96 HydrophobicContact CE1-CD2 3.9Å; Y82-F96 HydrophobicContact CE1-CG 4.36Å; Y82-F96 AromaticContact CE2-CD2 3.83Å; Y82-F96 HydrophobicContact CE2-CD2 3.83Å; Y82-F96 HydrophobicContact CE2-CE2 4.34Å; Y82-F96 AromaticContact CZ-CD2 3.47Å; Y82-F96 VanDerWaalsContact CZ-CD2 3.47Å; Y82-F96 WeakPolarHBondContact OH-CD2 3.29Å |
| 97 | T | 58.1 | Low | 52.4 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | trans | -82.4 | -21.9 | -177.2 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | E81 A83 F95 D99 R100 | E81-T97 PolarHBondContact O-N 2.9Å; E81-T97 PolarHBondContact O-OG1 3.11Å; E81-T97 VanDerWaalsContact O-OG1 3.06Å; A83-T97 HydrophobicContact CB-CG2 3.69Å; F95-T97 HydrophobicContact CB-CG2 4.09Å; T97-D99 PolarHBondContact O-N 3.45Å; T97-R100 HydrophobicContact CG2-CG 4.33Å; T97-R100 WeakPolarHBondContact OG1-CG 3.35Å; T97-R100 PolarHBondContact OG1-NE 3.24Å; T97-R100 PolarHBondContact OG1-NH2 2.72Å | ||
| 98 | G | 62.6 | Low | 51 | Low | 25 Ų | 25 | 63.1 Ų | 63.1 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 54.3 | -133.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E81 R100 | E81-G98 PolarHBondContact O-N 2.75Å; G98-R100 PolarHBondContact O-N 3.45Å |
| 99 | D | 56.2 | Low | 50 | Low | 121 Ų | 121 | 65.2 Ų | 65.2 | 65% | 0.647 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -68.4 | 109.9 | 165.1 | -175.6 | -24 | 0 | 0 | 0 | 110.1 | T97 S101 N102 | T97-D99 PolarHBondContact O-N 3.45Å; D99-S101 PolarHBondContact O-N 3.27Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.32Å; D99-S101 PolarHBondContact OD1-N 2.62Å; D99-S101 PolarHBondContact OD1-OG 2.75Å; D99-S101 PolarHBondContact OD2-OG 3.14Å; D99-N102 PolarHBondContact O-N 2.86Å; D99-N102 VanDerWaalsContact O-N 3.1Å |
| 100 | R | 60.5 | Low | 48.9 | Very low | 38 Ų | 38 | 66 Ų | 66 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -5.3 | -178.4 | -73.1 | 175.6 | -177.1 | 145.1 | 14.7 | 114.9 | D42 S79 K80 Y82 T97 G98 N102 | D42-R100 IonicContact OD1-NH1 2.69Å; D42-R100 PolarHBondContact OD1-NH1 3.07Å; D42-R100 WeakPolarHBondContact OD2-CD 3.25Å; D42-R100 IonicContact OD2-CZ 2.7Å; D42-R100 IonicContact OD2-NE 2.7Å; D42-R100 IonicContact OD2-NH1 2.72Å; D42-R100 PolarHBondContact OD2-NH1 2.76Å; S79-R100 PolarHBondContact O-NH1 3.45Å; S79-R100 PolarHBondContact O-NH2 3.22Å; K80-R100 VanDerWaalsContact C-NH2 3.35Å; K80-R100 VanDerWaalsContact O-CZ 3.28Å; K80-R100 PolarHBondContact O-NH2 3.44Å; K80-R100 VanDerWaalsContact O-NH2 3.17Å; Y82-R100 VanDerWaalsContact N-NH2 3.2Å; Y82-R100 PolarHBondContact O-NH2 2.7Å; T97-R100 HydrophobicContact CG2-CG 4.33Å; T97-R100 WeakPolarHBondContact OG1-CG 3.35Å; T97-R100 PolarHBondContact OG1-NE 3.24Å; T97-R100 PolarHBondContact OG1-NH2 2.72Å; G98-R100 PolarHBondContact O-N 3.45Å; R100-N102 VanDerWaalsContact C-N 3.32Å |
| 101 | S | 54.6 | Low | 48.1 | Very low | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.2 | 170.5 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | D99 | D99-S101 PolarHBondContact O-N 3.27Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.32Å; D99-S101 PolarHBondContact OD1-N 2.62Å; D99-S101 PolarHBondContact OD1-OG 2.75Å; D99-S101 PolarHBondContact OD2-OG 3.14Å |
| 102 | N | 41.3 | Very low | 47.9 | Very low | 136 Ų | 136 | 74.7 Ų | 74.7 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -147.9 | 82.9 | 179.9 | -76.7 | -79.3 | 0 | 0 | 0 | 112.8 | D99 R100 | D99-N102 PolarHBondContact O-N 2.86Å; D99-N102 VanDerWaalsContact O-N 3.1Å; R100-N102 VanDerWaalsContact C-N 3.32Å |
| 103 | C | 39.6 | Very low | 47.8 | Very low | 17 Ų | 17 | 76 Ų | 76 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | trans | -93.2 | 156.1 | -173.6 | -158.4 | 0 | 0 | 0 | 0 | 115.2 | Q62 | Q62-C103 PolarHBondContact NE2-O 2.85Š| ||
| 104 | N | 36.1 | Very low | 48.4 | Very low | 131 Ų | 131 | 76 Ų | 76 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | trans | -135.5 | -179.4 | 178.7 | -88.6 | -63.2 | 0 | 0 | 0 | 112.8 | W106 | N104-W106 WeakPolarHBondContact O-CZ3 3.46Š| ||
| 105 | T | 32.6 | Very low | 48.6 | Very low | 133 Ų | 133 | 75.6 Ų | 75.6 | 82% | 0.816 | 39% | 0.389 | S | S | * | . | trans | -85.7 | 179 | -151.5 | 49.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 106 | W | 43 | Very low | 49.2 | Very low | 73 Ų | 73 | 75.8 Ų | 75.8 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | trans | -120 | 167.8 | -144.6 | -35.9 | 129 | 0 | 0 | 0 | 118.2 | Q62 A63 F95 N104 | Q62-W106 WeakPolarHBondContact O-CZ2 3.48Å; A63-W106 HydrophobicContact CB-CZ2 4.03Å; F95-W106 HydrophobicContact CB-CE3 4.43Å; F95-W106 HydrophobicContact CB-CZ3 3.99Å; F95-W106 AromaticContact CD1-CD2 3.94Å; F95-W106 HydrophobicContact CD1-CD2 3.94Å; F95-W106 AromaticContact CD1-CE3 3.15Å; F95-W106 HydrophobicContact CD1-CE3 3.15Å; F95-W106 HydrophobicContact CD1-CH2 4.33Å; F95-W106 AromaticContact CD1-CZ3 3.4Å; F95-W106 HydrophobicContact CD1-CZ3 3.4Å; F95-W106 HydrophobicContact CD2-CE3 4.26Å; F95-W106 AromaticContact CD2-CH2 3.99Å; F95-W106 HydrophobicContact CD2-CH2 3.99Å; F95-W106 AromaticContact CD2-CZ3 3.66Å; F95-W106 HydrophobicContact CD2-CZ3 3.66Å; F95-W106 HydrophobicContact CE1-CB 4.03Å; F95-W106 AromaticContact CE1-CD2 3.44Å; F95-W106 HydrophobicContact CE1-CD2 3.44Å; F95-W106 VanDerWaalsContact CE1-CD2 3.44Å; F95-W106 AromaticContact CE1-CE3 3.16Å; F95-W106 HydrophobicContact CE1-CE3 3.16Å; F95-W106 AromaticContact CE1-CG 3.9Å; F95-W106 HydrophobicContact CE1-CG 3.9Å; F95-W106 HydrophobicContact CE1-CH2 4.19Å; F95-W106 HydrophobicContact CE1-CZ2 4.46Å; F95-W106 AromaticContact CE1-CZ3 3.58Å; F95-W106 HydrophobicContact CE1-CZ3 3.58Å; F95-W106 HydrophobicContact CE2-CE3 4.28Å; F95-W106 AromaticContact CE2-CH2 3.85Å; F95-W106 HydrophobicContact CE2-CH2 3.85Å; F95-W106 HydrophobicContact CE2-CZ2 4.34Å; F95-W106 AromaticContact CE2-CZ3 3.84Å; F95-W106 HydrophobicContact CE2-CZ3 3.84Å; F95-W106 AromaticContact CG-CE3 3.73Å; F95-W106 HydrophobicContact CG-CE3 3.73Å; F95-W106 HydrophobicContact CG-CH2 4.21Å; F95-W106 AromaticContact CG-CZ3 3.41Å; F95-W106 HydrophobicContact CG-CZ3 3.41Å; F95-W106 VanDerWaalsContact CG-CZ3 3.41Å; F95-W106 AromaticContact CZ-CD2 3.88Å; F95-W106 HydrophobicContact CZ-CD2 3.88Å; F95-W106 AromaticContact CZ-CE3 3.76Å; F95-W106 HydrophobicContact CZ-CE3 3.76Å; F95-W106 HydrophobicContact CZ-CG 4.48Å; F95-W106 AromaticContact CZ-CH2 3.95Å; F95-W106 HydrophobicContact CZ-CH2 3.95Å; F95-W106 HydrophobicContact CZ-CZ2 4.11Å; F95-W106 AromaticContact CZ-CZ3 3.8Å; F95-W106 HydrophobicContact CZ-CZ3 3.8Å; N104-W106 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 107 | K | 30.4 | Very low | 49.6 | Very low | 186 Ų | 186 | 72.4 Ų | 72.4 | 81% | 0.809 | 38% | 0.38 | S | S | * | . | trans | -147.9 | 164.9 | 162.6 | -71.6 | -166.3 | 178.5 | 176.6 | 0 | 113.5 | L93 | L93-K107 WeakPolarHBondContact CD2-O 3.44Š| ||
| 108 | Q | 29.6 | Very low | 50.3 | Low | 125 Ų | 125 | 72.1 Ų | 72.1 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 151.9 | -161.6 | 162 | -177.9 | -9.2 | 0 | 0 | 116.5 | R91 | R91-Q108 HydrophobicContact CG-CG 4.36Å |
| 109 | L | 38.3 | Very low | 51 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 162 | 157.1 | -133.4 | 79.9 | 0 | 0 | 0 | 113.4 | L92 F158 Q167 | L92-L109 PolarHBondContact N-O 3.49Å; L109-F158 HydrophobicContact CD2-CD1 3.73Å; L109-F158 HydrophobicContact CD2-CE1 3.81Å; L109-Q167 HydrophobicContact CD2-CB 4.23Å |
| 110 | T | 36.1 | Very low | 51.8 | Low | 36 Ų | 36 | 67.2 Ų | 67.2 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.8 | -174.8 | 171.7 | 73.5 | 0 | 0 | 0 | 0 | 119.2 | G90 F158 | G90-T110 CarbonylContact O-C 3.58Å; G90-T110 PolarHBondContact O-OG1 2.7Å; T110-F158 HydrophobicContact CG2-CE1 4.04Å; T110-F158 HydrophobicContact CG2-CZ 4.44Å |
| 111 | K | 38.2 | Very low | 52.6 | Low | 194 Ų | 194 | 67.6 Ų | 67.6 | 84% | 0.843 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -3.8 | -163.8 | -108.1 | -166.5 | 179.8 | -168.8 | 0 | 118 | G90 | G90-K111 VanDerWaalsContact CA-C 3.47Å; G90-K111 CarbonylContact O-C 3.23Å; G90-K111 VanDerWaalsContact O-CA 3.25Å; G90-K111 WeakPolarHBondContact O-CA 3.17Å; G90-K111 PolarHBondContact O-N 3Å |
| 112 | E | 51.6 | Low | 53.4 | Low | 72 Ų | 72 | 64.5 Ų | 64.5 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.4 | -174 | -77.1 | 161.7 | -138.9 | 0 | 0 | 112.3 | G90 F114 R170 | G90-E112 CarbonylContact C-O 3.54Å; G90-E112 VanDerWaalsContact CA-C 3.41Å; G90-E112 WeakPolarHBondContact CA-O 3.45Å; G90-E112 PolarHBondContact N-O 3.25Å; G90-E112 PolarHBondContact O-N 3.05Å; E112-F114 HydrophobicContact CB-CD1 4.17Å; E112-F114 HydrophobicContact CB-CE1 3.37Å; E112-F114 HydrophobicContact CB-CE2 4.33Å; E112-F114 HydrophobicContact CB-CZ 3.49Å; E112-F114 VanDerWaalsContact CB-CZ 3.49Å; E112-F114 WeakPolarHBondContact O-CD2 3.09Å; E112-F114 WeakPolarHBondContact O-CE2 3.43Å; E112-F114 WeakPolarHBondContact O-CZ 3.26Å; E112-R170 VanDerWaalsContact CD-NH1 3.27Å; E112-R170 IonicContact OE1-CZ 3.01Å; E112-R170 IonicContact OE1-NH1 3.68Å; E112-R170 PolarHBondContact OE1-NH1 2.76Å; E112-R170 IonicContact OE1-NH2 3.69Å; E112-R170 IonicContact OE2-CZ 3.99Å; E112-R170 VanDerWaalsContact OE2-CZ 3.26Å; E112-R170 IonicContact OE2-NH1 2.78Å; E112-R170 PolarHBondContact OE2-NH1 3.23Å; E112-R170 IonicContact OE2-NH2 3.77Å; E112-R170 PolarHBondContact OE2-NH2 3.03Å |
| 113 | A | 57.4 | Low | 54.9 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | trans | -91 | 106.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G88 C137 | G88-A113 WeakPolarHBondContact O-CB 3.36Å; A113-C137 WeakPolarHBondContact O-CB 3.34Å | ||
| 114 | F | 68.1 | Low | 56.3 | Low | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | trans | -134.4 | 155.3 | -176.5 | -6.1 | -105.5 | 0 | 0 | 0 | 114.8 | V71 S86 E112 L135 Q136 C137 F156 | V71-F114 VanDerWaalsContact CG2-C 3.4Å; S86-F114 WeakPolarHBondContact CB-O 3.44Å; S86-F114 PolarHBondContact OG-O 2.96Å; E112-F114 HydrophobicContact CB-CD1 4.17Å; E112-F114 HydrophobicContact CB-CE1 3.37Å; E112-F114 HydrophobicContact CB-CE2 4.33Å; E112-F114 HydrophobicContact CB-CZ 3.49Å; E112-F114 VanDerWaalsContact CB-CZ 3.49Å; E112-F114 WeakPolarHBondContact O-CD2 3.09Å; E112-F114 WeakPolarHBondContact O-CE2 3.43Å; E112-F114 WeakPolarHBondContact O-CZ 3.26Å; F114-L135 HydrophobicContact CB-CB 3.73Å; F114-L135 HydrophobicContact CD1-CB 4.04Å; F114-L135 HydrophobicContact CD1-CD1 4.41Å; F114-L135 HydrophobicContact CD2-CB 4.28Å; F114-L135 HydrophobicContact CD2-CD1 3.55Å; F114-L135 HydrophobicContact CD2-CG 4.42Å; F114-L135 HydrophobicContact CE1-CD1 4.46Å; F114-L135 HydrophobicContact CE2-CD1 3.62Å; F114-L135 HydrophobicContact CG-CB 3.81Å; F114-L135 HydrophobicContact CG-CD1 3.96Å; F114-L135 HydrophobicContact CG-CG 4.43Å; F114-L135 HydrophobicContact CZ-CD1 4.07Å; F114-Q136 CarbonylContact C-O 3.52Å; F114-Q136 VanDerWaalsContact CA-O 3.22Å; F114-Q136 WeakPolarHBondContact CA-O 3.39Å; F114-Q136 WeakPolarHBondContact CB-O 3.49Å; F114-C137 HydrophobicContact CB-CB 4.33Å; F114-C137 HydrophobicContact CD1-CB 4.23Å; F114-F156 HydrophobicContact CD1-CE2 4.38Å; F114-F156 AromaticContact CE1-CE2 3.74Å; F114-F156 HydrophobicContact CE1-CE2 3.74Å; F114-F156 AromaticContact CE1-CZ 3.79Å; F114-F156 HydrophobicContact CE1-CZ 3.79Å; F114-F156 AromaticContact CZ-CE2 3.93Å; F114-F156 HydrophobicContact CZ-CE2 3.93Å; F114-F156 AromaticContact CZ-CZ 3.85Å; F114-F156 HydrophobicContact CZ-CZ 3.85Å | ||
| 115 | V | 65.2 | Low | 57.8 | Low | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 139.2 | 161.5 | 167 | 0 | 0 | 0 | 0 | 109.3 | F32 Y36 V71 N72 V117 L135 Q136 | F32-V115 HydrophobicContact CE1-CG2 4.31Å; F32-V115 HydrophobicContact CE2-CG2 4.32Å; F32-V115 HydrophobicContact CZ-CB 4.22Å; F32-V115 HydrophobicContact CZ-CG2 3.57Å; Y36-V115 HydrophobicContact CE2-CG1 4.41Å; Y36-V115 HydrophobicContact CE2-CG2 4.28Å; V71-V115 HydrophobicContact CB-CG2 4.28Å; V71-V115 HydrophobicContact CG2-CG2 3.98Å; N72-V115 VanDerWaalsContact O-CG2 3.32Å; N72-V115 WeakPolarHBondContact O-CG2 3.39Å; V115-V117 PolarHBondContact O-N 2.87Å; V115-L135 CarbonylContact O-C 3.47Å; V115-L135 WeakPolarHBondContact O-CA 3.22Å; V115-Q136 PolarHBondContact N-O 3.18Å; V115-Q136 PolarHBondContact O-N 2.74Å |
| 116 | V | 71.1 | Confident | 59.5 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.1 | 167.1 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | S74 L92 L135 | S74-V116 PolarHBondContact OG-N 3.01Å; L92-V116 HydrophobicContact CD1-CG2 3.68Å; V116-L135 HydrophobicContact CB-CD2 4.23Å; V116-L135 HydrophobicContact CG1-CD2 4.35Å; V116-L135 HydrophobicContact CG2-CD2 3.79Å |
| 117 | V | 71.7 | Confident | 60.5 | Low | 50 Ų | 50 | 70.8 Ų | 70.8 | 30% | 0.303 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -47.5 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | V115 A134 Q136 V153 | V115-V117 PolarHBondContact O-N 2.87Å; V117-A134 HydrophobicContact CB-CB 4.19Å; V117-A134 PolarHBondContact N-O 2.88Å; V117-Q136 HydrophobicContact CG2-CB 3.53Å; V117-V153 HydrophobicContact CG2-CG1 4.48Å |
| 118 | D | 73.2 | Confident | 62.5 | Low | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 164.8 | 175.7 | -165.2 | 21.2 | 0 | 0 | 0 | 109.3 | A134 F185 K291 | D118-A134 PolarHBondContact O-N 3.18Å; D118-F185 HydrophobicContact CB-CD2 3.92Å; D118-F185 HydrophobicContact CB-CE2 4.22Å; D118-F185 WeakPolarHBondContact O-CE2 3.36Å; D118-F185 PolarHBondContact OD2-N 2.81Å; D118-F185 VanDerWaalsContact OD2-N 3.1Å; D118-K291 IonicContact OD1-NZ 3.53Å; D118-K291 PolarHBondContact OD1-NZ 3.29Å; D118-K291 IonicContact OD2-NZ 3.85Å |
| 119 | S | 76.1 | Confident | 64.7 | Low | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 153.1 | 173.1 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | S76 P78 L84 D132 | S76-S119 WeakPolarHBondContact CB-OG 3.5Å; S76-S119 PolarHBondContact OG-OG 3.22Å; P78-S119 WeakPolarHBondContact CD-OG 3.32Å; L84-S119 WeakPolarHBondContact CD1-OG 3.16Å; S119-D132 WeakPolarHBondContact CA-O 3.16Å |
| 120 | K | 74.4 | Confident | 66.6 | Low | 39 Ų | 39 | 58.6 Ų | 58.6 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 140.4 | -174.4 | -175.6 | 167.9 | -176.2 | 165.1 | 0 | 112.1 | I131 D132 F185 D187 | K120-I131 WeakPolarHBondContact O-CA 3.25Å; K120-D132 PolarHBondContact N-O 3.01Å; K120-D132 PolarHBondContact O-N 2.95Å; K120-F185 HydrophobicContact CB-CB 3.98Å; K120-F185 HydrophobicContact CB-CD1 4.15Å; K120-F185 HydrophobicContact CB-CD2 4.23Å; K120-F185 HydrophobicContact CB-CG 3.83Å; K120-F185 HydrophobicContact CD-CB 3.81Å; K120-F185 HydrophobicContact CD-CG 4.43Å; K120-D187 VanDerWaalsContact NZ-C 3.33Å; K120-D187 PolarHBondContact NZ-O 2.91Å |
| 121 | I | 75.7 | Confident | 68.4 | Low | 46 Ų | 46 | 56.9 Ų | 56.9 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.7 | 162.8 | -59.9 | -158.4 | 0 | 0 | 0 | 109.4 | P78 S79 Y82 F129 Q130 I131 | P78-I121 HydrophobicContact CB-CG1 3.97Å; P78-I121 HydrophobicContact CG-CG1 4.4Å; S79-I121 WeakPolarHBondContact OG-CD1 3.42Å; Y82-I121 HydrophobicContact CD2-CD1 3.49Å; Y82-I121 VanDerWaalsContact CD2-CD1 3.49Å; Y82-I121 HydrophobicContact CE2-CD1 4.23Å; Y82-I121 HydrophobicContact CG-CD1 3.99Å; I121-F129 HydrophobicContact CD1-CD2 4.13Å; I121-F129 HydrophobicContact CD1-CE2 4.26Å; I121-F129 HydrophobicContact CG2-CB 4.01Å; I121-F129 HydrophobicContact CG2-CD2 3.86Å; I121-F129 HydrophobicContact CG2-CG 4.34Å; I121-Q130 WeakPolarHBondContact CA-O 3.37Å; I121-I131 HydrophobicContact CG1-CG1 4.22Å |
| 122 | C | 72.4 | Confident | 70.2 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.9 | 174.9 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | G124 F129 Q130 D132 R190 | C122-G124 PolarHBondContact O-N 3.4Å; C122-F129 WeakPolarHBondContact O-CA 3.42Å; C122-Q130 HydrophobicContact CB-CG 3.86Å; C122-Q130 PolarHBondContact N-O 3Å; C122-Q130 PolarHBondContact O-N 3.04Å; C122-D132 WeakPolarHBondContact CB-OD2 3.11Å; C122-D132 PolarHBondContact SG-OD2 2.85Å; C122-R190 HydrophobicContact CB-CG 4.34Å |
| 123 | P | 71.4 | Confident | 71.2 | Confident | 96 Ų | 96 | 44.2 Ų | 44.2 | 62% | 0.623 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 137.9 | 166.1 | -23 | 34.2 | 0 | 0 | 0 | 110.8 | R190 | P123-R190 PolarHBondContact O-NH2 2.79Å |
| 124 | G | 69.4 | Low | 72 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | trans | -110.5 | -175.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C122 G128 | C122-G124 PolarHBondContact O-N 3.4Å; G124-G128 WeakPolarHBondContact CA-O 3.38Å; G124-G128 PolarHBondContact N-O 3.4Å | ||
| 125 | N | 68.2 | Low | 72 | Confident | 138 Ų | 138 | 42.8 Ų | 42.8 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72.4 | 152.4 | 176.9 | -62.9 | -3.2 | 0 | 0 | 0 | 111.1 | G128 | N125-G128 PolarHBondContact O-N 2.87Š|
| 126 | N | 67.3 | Low | 72.2 | Confident | 163 Ų | 163 | 43.3 Ų | 43.3 | 87% | 0.872 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 54.2 | 175 | -58.2 | -2.1 | 0 | 0 | 0 | 114.1 | G128 | N126-G128 PolarHBondContact O-N 2.69Š|
| 127 | E | 65.5 | Low | 71.9 | Confident | 206 Ų | 206 | 43.2 Ų | 43.2 | 96% | 0.963 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 2.2 | -179.9 | -55.2 | -176.2 | 160.4 | 0 | 0 | 115.4 | ||
| 128 | G | 72.8 | Confident | 71.4 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | trans | -74.7 | 177 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | G124 N125 N126 | G124-G128 WeakPolarHBondContact CA-O 3.38Å; G124-G128 PolarHBondContact N-O 3.4Å; N125-G128 PolarHBondContact O-N 2.87Å; N126-G128 PolarHBondContact O-N 2.69Å | ||
| 129 | F | 75.4 | Confident | 70.8 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.7 | 171.5 | 68.7 | -76.3 | 0 | 0 | 0 | 110.1 | Y82 I121 C122 R160 W165 | Y82-F129 HydrophobicContact CD2-CE2 4.29Å; Y82-F129 HydrophobicContact CE1-CE2 4.04Å; Y82-F129 AromaticContact CE1-CZ 3.91Å; Y82-F129 HydrophobicContact CE1-CZ 3.91Å; Y82-F129 AromaticContact CE2-CE2 3.8Å; Y82-F129 HydrophobicContact CE2-CE2 3.8Å; Y82-F129 AromaticContact CE2-CZ 3.83Å; Y82-F129 HydrophobicContact CE2-CZ 3.83Å; Y82-F129 AromaticContact CZ-CE2 3.66Å; Y82-F129 AromaticContact CZ-CZ 3.36Å; Y82-F129 WeakPolarHBondContact OH-CZ 3.15Å; I121-F129 HydrophobicContact CD1-CD2 4.13Å; I121-F129 HydrophobicContact CD1-CE2 4.26Å; I121-F129 HydrophobicContact CG2-CB 4.01Å; I121-F129 HydrophobicContact CG2-CD2 3.86Å; I121-F129 HydrophobicContact CG2-CG 4.34Å; C122-F129 WeakPolarHBondContact O-CA 3.42Å; F129-R160 HydrophobicContact CE1-CB 4.49Å; F129-R160 HydrophobicContact CZ-CB 4.44Å; F129-W165 HydrophobicContact CD2-CH2 4.21Å; F129-W165 AromaticContact CE2-CH2 3.49Å; F129-W165 HydrophobicContact CE2-CH2 3.49Å; F129-W165 VanDerWaalsContact CE2-CH2 3.49Å; F129-W165 HydrophobicContact CE2-CZ2 4.03Å; F129-W165 AromaticContact CZ-CH2 3.9Å; F129-W165 HydrophobicContact CZ-CH2 3.9Å; F129-W165 HydrophobicContact CZ-CZ2 4.16Å |
| 130 | Q | 77.6 | Confident | 70 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 161.8 | 172.1 | 70.7 | -175.2 | 47.3 | 0 | 0 | 109.8 | I121 C122 D132 T157 F158 A159 R190 | I121-Q130 WeakPolarHBondContact CA-O 3.37Å; C122-Q130 HydrophobicContact CB-CG 3.86Å; C122-Q130 PolarHBondContact N-O 3Å; C122-Q130 PolarHBondContact O-N 3.04Å; Q130-D132 VanDerWaalsContact NE2-CG 3.34Å; Q130-D132 PolarHBondContact NE2-OD1 2.91Å; Q130-D132 PolarHBondContact NE2-OD2 2.61Å; Q130-T157 HydrophobicContact CB-CG2 3.98Å; Q130-T157 VanDerWaalsContact CD-CG2 3.44Å; Q130-T157 HydrophobicContact CG-CG2 4.08Å; Q130-F158 CarbonylContact C-O 3.12Å; Q130-F158 VanDerWaalsContact CA-O 3.24Å; Q130-F158 WeakPolarHBondContact CA-O 3.21Å; Q130-F158 WeakPolarHBondContact CB-O 3.46Å; Q130-A159 HydrophobicContact CB-CB 4.28Å; Q130-R190 VanDerWaalsContact CD-NH2 3.29Å; Q130-R190 VanDerWaalsContact NE2-CZ 3.26Å |
| 131 | I | 74.8 | Confident | 69.2 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118 | 171.3 | -48 | -173.8 | 0 | 0 | 0 | 107.5 | P78 Y82 L84 I94 K120 I121 F158 W165 | P78-I131 HydrophobicContact CB-CG2 4.08Å; P78-I131 HydrophobicContact CG-CD1 4.49Å; P78-I131 HydrophobicContact CG-CG2 4.06Å; Y82-I131 HydrophobicContact CD1-CD1 4.29Å; Y82-I131 HydrophobicContact CG-CD1 4.37Å; L84-I131 HydrophobicContact CD1-CG2 4.03Å; L84-I131 HydrophobicContact CD2-CD1 4.3Å; L84-I131 HydrophobicContact CD2-CG2 4.34Å; I94-I131 HydrophobicContact CG2-CD1 3.63Å; K120-I131 WeakPolarHBondContact O-CA 3.25Å; I121-I131 HydrophobicContact CG1-CG1 4.22Å; I131-F158 PolarHBondContact N-O 3.24Å; I131-F158 PolarHBondContact O-N 2.73Å; I131-W165 HydrophobicContact CD1-CH2 3.65Å; I131-W165 HydrophobicContact CD1-CZ2 3.99Å; I131-W165 HydrophobicContact CD1-CZ3 4.3Å; I131-W165 HydrophobicContact CG1-CH2 3.68Å; I131-W165 HydrophobicContact CG1-CZ3 4Å |
| 132 | D | 76.3 | Confident | 68.3 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.3 | 175 | -57.6 | -45.3 | 0 | 0 | 0 | 108.4 | S119 K120 C122 Q130 T157 F185 | S119-D132 WeakPolarHBondContact CA-O 3.16Å; K120-D132 PolarHBondContact N-O 3.01Å; K120-D132 PolarHBondContact O-N 2.95Å; C122-D132 WeakPolarHBondContact CB-OD2 3.11Å; C122-D132 PolarHBondContact SG-OD2 2.85Å; Q130-D132 VanDerWaalsContact NE2-CG 3.34Å; Q130-D132 PolarHBondContact NE2-OD1 2.91Å; Q130-D132 PolarHBondContact NE2-OD2 2.61Å; D132-T157 VanDerWaalsContact OD1-CB 3.26Å; D132-T157 WeakPolarHBondContact OD1-CB 3.2Å; D132-T157 VanDerWaalsContact OD1-CG2 3.27Å; D132-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D132-T157 PolarHBondContact OD1-OG1 2.87Å; D132-F185 VanDerWaalsContact C-CZ 3.43Å; D132-F185 HydrophobicContact CB-CD1 4.2Å; D132-F185 HydrophobicContact CB-CE1 3.42Å; D132-F185 VanDerWaalsContact CB-CE1 3.42Å; D132-F185 HydrophobicContact CB-CZ 3.92Å; D132-F185 WeakPolarHBondContact O-CZ 3.04Å |
| 133 | C | 71.9 | Confident | 67.3 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130 | -169.7 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | L84 L92 L135 F156 F158 | L84-C133 WeakPolarHBondContact CD1-SG 3.38Å; L92-C133 HydrophobicContact CD2-CB 4.39Å; C133-L135 HydrophobicContact CB-CD2 4.13Å; C133-L135 HydrophobicContact CB-CG 4.25Å; C133-F156 PolarHBondContact N-O 3.16Å; C133-F156 PolarHBondContact O-N 3.09Å; C133-F158 HydrophobicContact CB-CD2 4.4Å; C133-F158 HydrophobicContact CB-CE2 3.98Å; C133-F158 VanDerWaalsContact SG-CD2 3.6Å |
| 134 | A | 73.1 | Confident | 66.9 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V117 D118 V153 Y183 F185 | V117-A134 HydrophobicContact CB-CB 4.19Å; V117-A134 PolarHBondContact N-O 2.88Å; D118-A134 PolarHBondContact O-N 3.18Å; A134-V153 HydrophobicContact CB-CG1 4.25Å; A134-Y183 HydrophobicContact CB-CD1 3.15Å; A134-Y183 HydrophobicContact CB-CD2 4.34Å; A134-Y183 HydrophobicContact CB-CE1 3.37Å; A134-Y183 HydrophobicContact CB-CE2 4.46Å; A134-Y183 HydrophobicContact CB-CG 3.74Å; A134-F185 HydrophobicContact CB-CE2 3.79Å; A134-F185 HydrophobicContact CB-CZ 4.2Å |
| 135 | L | 68.8 | Low | 66.1 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.4 | -173.2 | -60.1 | -167.9 | 0 | 0 | 0 | 110.2 | L92 F114 V115 V116 C133 N154 F156 | L92-L135 HydrophobicContact CD1-CD2 4.39Å; L92-L135 HydrophobicContact CD2-CD1 4.31Å; F114-L135 HydrophobicContact CB-CB 3.73Å; F114-L135 HydrophobicContact CD1-CB 4.04Å; F114-L135 HydrophobicContact CD1-CD1 4.41Å; F114-L135 HydrophobicContact CD2-CB 4.28Å; F114-L135 HydrophobicContact CD2-CD1 3.55Å; F114-L135 HydrophobicContact CD2-CG 4.42Å; F114-L135 HydrophobicContact CE1-CD1 4.46Å; F114-L135 HydrophobicContact CE2-CD1 3.62Å; F114-L135 HydrophobicContact CG-CB 3.81Å; F114-L135 HydrophobicContact CG-CD1 3.96Å; F114-L135 HydrophobicContact CG-CG 4.43Å; F114-L135 HydrophobicContact CZ-CD1 4.07Å; V115-L135 CarbonylContact O-C 3.47Å; V115-L135 WeakPolarHBondContact O-CA 3.22Å; V116-L135 HydrophobicContact CB-CD2 4.23Å; V116-L135 HydrophobicContact CG1-CD2 4.35Å; V116-L135 HydrophobicContact CG2-CD2 3.79Å; C133-L135 HydrophobicContact CB-CD2 4.13Å; C133-L135 HydrophobicContact CB-CG 4.25Å; L135-N154 PolarHBondContact N-O 2.7Å; L135-N154 PolarHBondContact O-N 2.66Å; L135-F156 HydrophobicContact CB-CD2 3.93Å; L135-F156 HydrophobicContact CB-CE2 3.98Å; L135-F156 HydrophobicContact CD1-CD2 3.43Å; L135-F156 VanDerWaalsContact CD1-CD2 3.43Å; L135-F156 HydrophobicContact CD1-CE2 3.72Å; L135-F156 HydrophobicContact CD1-CG 4.23Å; L135-F156 HydrophobicContact CG-CD2 3.75Å; L135-F156 HydrophobicContact CG-CE2 4.2Å |
| 136 | Q | 69.4 | Low | 64.9 | Low | 25 Ų | 25 | 62.9 Ų | 62.9 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.2 | 176.7 | -176.9 | 172.5 | 22 | 0 | 0 | 110.8 | F32 F114 V115 V117 S151 E152 V153 T180 | F32-Q136 HydrophobicContact CE2-CG 4.23Å; F114-Q136 CarbonylContact C-O 3.52Å; F114-Q136 VanDerWaalsContact CA-O 3.22Å; F114-Q136 WeakPolarHBondContact CA-O 3.39Å; F114-Q136 WeakPolarHBondContact CB-O 3.49Å; V115-Q136 PolarHBondContact N-O 3.18Å; V115-Q136 PolarHBondContact O-N 2.74Å; V117-Q136 HydrophobicContact CG2-CB 3.53Å; Q136-S151 PolarHBondContact NE2-OG 3.48Å; Q136-E152 WeakPolarHBondContact CA-O 3.34Å; Q136-V153 HydrophobicContact CB-CG2 4.01Å; Q136-V153 HydrophobicContact CG-CG2 4.08Å; Q136-T180 PolarHBondContact NE2-O 2.88Å |
| 137 | C | 63.9 | Low | 64.2 | Low | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.054 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.9 | 169.4 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | A113 F114 E152 | A113-C137 WeakPolarHBondContact O-CB 3.34Å; F114-C137 HydrophobicContact CB-CB 4.33Å; F114-C137 HydrophobicContact CD1-CB 4.23Å; C137-E152 PolarHBondContact N-O 3.02Å; C137-E152 PolarHBondContact O-N 2.84Å; C137-E152 WeakPolarHBondContact SG-CG 3.41Å; C137-E152 PolarHBondContact SG-OE1 2.9Å |
| 138 | I | 62.6 | Low | 63.7 | Low | 27 Ų | 27 | 56.1 Ų | 56.1 | 14% | 0.138 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.6 | 172.3 | -57.9 | 173.4 | 0 | 0 | 0 | 107 | F32 L149 H150 | F32-I138 HydrophobicContact CB-CD1 4.06Å; F32-I138 HydrophobicContact CD1-CD1 3.99Å; F32-I138 HydrophobicContact CD2-CD1 4.45Å; F32-I138 HydrophobicContact CG-CD1 3.94Å; I138-L149 HydrophobicContact CG2-CB 4.43Å; I138-L149 HydrophobicContact CG2-CD2 4.24Å; I138-H150 CarbonylContact C-O 3.39Å; I138-H150 WeakPolarHBondContact CA-O 3.2Å |
| 139 | Q | 60.2 | Low | 62.8 | Low | 72 Ų | 72 | 56.2 Ų | 56.2 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 153.8 | 172.4 | -69.6 | -149.5 | 23.2 | 0 | 0 | 111 | L149 H150 E152 | Q139-L149 WeakPolarHBondContact O-CA 3.44Å; Q139-L149 WeakPolarHBondContact O-CD2 3.33Å; Q139-H150 PolarHBondContact N-O 2.85Å; Q139-H150 PolarHBondContact O-N 3Å; Q139-E152 HydrophobicContact CG-CG 4.18Å; Q139-E152 PolarHBondContact NE2-OE1 3.23Å; Q139-E152 PolarHBondContact NE2-OE2 2.97Å; Q139-E152 VanDerWaalsContact NE2-OE2 3.11Å |
| 140 | K | 58.8 | Low | 62 | Low | 119 Ų | 119 | 53.9 Ų | 53.9 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.2 | 165.8 | -170.9 | -164.7 | -175.3 | -161.2 | 0 | 108.3 | E142 L149 | K140-E142 WeakPolarHBondContact CE-OE1 3.29Å; K140-E142 IonicContact NZ-OE1 2.75Å; K140-E142 PolarHBondContact NZ-OE1 2.99Å; K140-L149 HydrophobicContact CB-CD2 3.73Å; K140-L149 HydrophobicContact CG-CD2 3.97Å |
| 141 | I | 58.6 | Low | 61.3 | Low | 53 Ų | 53 | 53.3 Ų | 53.3 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.6 | 178.7 | -56 | 179.2 | 0 | 0 | 0 | 107.4 | F148 H150 | I141-F148 HydrophobicContact CB-CD2 4.07Å; I141-F148 HydrophobicContact CB-CE1 4.2Å; I141-F148 HydrophobicContact CB-CE2 3.7Å; I141-F148 HydrophobicContact CB-CG 4.48Å; I141-F148 HydrophobicContact CB-CZ 3.78Å; I141-F148 HydrophobicContact CD1-CE2 3.86Å; I141-F148 HydrophobicContact CD1-CZ 4.43Å; I141-F148 HydrophobicContact CG1-CE2 4.29Å; I141-F148 HydrophobicContact CG2-CE1 3.89Å; I141-F148 HydrophobicContact CG2-CE2 3.86Å; I141-F148 HydrophobicContact CG2-CZ 3.43Å; I141-F148 VanDerWaalsContact CG2-CZ 3.43Å; I141-F148 PolarHBondContact N-O 2.92Å; I141-F148 PolarHBondContact O-N 3.39Å; I141-H150 HydrophobicContact CD1-CB 3.65Å; I141-H150 HydrophobicContact CG1-CB 4.13Å |
| 142 | E | 56.3 | Low | 60.7 | Low | 114 Ų | 114 | 53.8 Ų | 53.8 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 102.7 | 177.4 | -50.6 | -154.7 | 135.7 | 0 | 0 | 107.9 | K140 K147 | K140-E142 WeakPolarHBondContact CE-OE1 3.29Å; K140-E142 IonicContact NZ-OE1 2.75Å; K140-E142 PolarHBondContact NZ-OE1 2.99Å; E142-K147 HydrophobicContact CB-CG 4.33Å; E142-K147 HydrophobicContact CG-CG 4.03Å; E142-K147 WeakPolarHBondContact OE1-CD 3.18Å; E142-K147 WeakPolarHBondContact OE1-CE 3.43Å |
| 143 | G | 50.8 | Low | 60.1 | Low | 40 Ų | 40 | 53.9 Ų | 53.9 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 89.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q146 | G143-Q146 PolarHBondContact N-O 3.13Å; G143-Q146 PolarHBondContact O-N 3.43Å |
| 144 | G | 63.4 | Low | 59.9 | Low | 71 Ų | 71 | 53.9 Ų | 53.9 | 73% | 0.732 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -135.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q146 | G144-Q146 PolarHBondContact O-N 2.83Š|
| 145 | D | 51.9 | Low | 59.6 | Low | 168 Ų | 168 | 53.9 Ų | 53.9 | 90% | 0.898 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.5 | 178.3 | -57.7 | -56.3 | 0 | 0 | 0 | 113.4 | ||
| 146 | Q | 43.8 | Very low | 59.5 | Low | 154 Ų | 154 | 54 Ų | 54 | 72% | 0.72 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.7 | -179.5 | -66.6 | -168.3 | -7.3 | 0 | 0 | 112.6 | G143 G144 | G143-Q146 PolarHBondContact N-O 3.13Å; G143-Q146 PolarHBondContact O-N 3.43Å; G144-Q146 PolarHBondContact O-N 2.83Å |
| 147 | K | 52.4 | Low | 59.5 | Low | 138 Ų | 138 | 52.8 Ų | 52.8 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 103.1 | 177.6 | -70.9 | 166 | 178.4 | 162.2 | 0 | 108.9 | E142 | E142-K147 HydrophobicContact CB-CG 4.33Å; E142-K147 HydrophobicContact CG-CG 4.03Å; E142-K147 WeakPolarHBondContact OE1-CD 3.18Å; E142-K147 WeakPolarHBondContact OE1-CE 3.43Å |
| 148 | F | 55.3 | Low | 59.8 | Low | 89 Ų | 89 | 52.5 Ų | 52.5 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 157 | -179.6 | 58.1 | -82.7 | 0 | 0 | 0 | 111.9 | I141 | I141-F148 HydrophobicContact CB-CD2 4.07Å; I141-F148 HydrophobicContact CB-CE1 4.2Å; I141-F148 HydrophobicContact CB-CE2 3.7Å; I141-F148 HydrophobicContact CB-CG 4.48Å; I141-F148 HydrophobicContact CB-CZ 3.78Å; I141-F148 HydrophobicContact CD1-CE2 3.86Å; I141-F148 HydrophobicContact CD1-CZ 4.43Å; I141-F148 HydrophobicContact CG1-CE2 4.29Å; I141-F148 HydrophobicContact CG2-CE1 3.89Å; I141-F148 HydrophobicContact CG2-CE2 3.86Å; I141-F148 HydrophobicContact CG2-CZ 3.43Å; I141-F148 VanDerWaalsContact CG2-CZ 3.43Å; I141-F148 PolarHBondContact N-O 2.92Å; I141-F148 PolarHBondContact O-N 3.39Å |
| 149 | L | 53.4 | Low | 60.1 | Low | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.5 | -179.2 | -73.8 | 162.7 | 0 | 0 | 0 | 109.2 | S26 Q28 I138 Q139 K140 | S26-L149 WeakPolarHBondContact OG-CD1 3.46Å; Q28-L149 PolarHBondContact OE1-O 3.41Å; I138-L149 HydrophobicContact CG2-CB 4.43Å; I138-L149 HydrophobicContact CG2-CD2 4.24Å; Q139-L149 WeakPolarHBondContact O-CA 3.44Å; Q139-L149 WeakPolarHBondContact O-CD2 3.33Å; K140-L149 HydrophobicContact CB-CD2 3.73Å; K140-L149 HydrophobicContact CG-CD2 3.97Å |
| 150 | H | 58.9 | Low | 60.2 | Low | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126.2 | -163.6 | -178.6 | 102.4 | 0 | 0 | 0 | 109.9 | I138 Q139 I141 E152 N175 L176 N177 | I138-H150 CarbonylContact C-O 3.39Å; I138-H150 WeakPolarHBondContact CA-O 3.2Å; Q139-H150 PolarHBondContact N-O 2.85Å; Q139-H150 PolarHBondContact O-N 3Å; I141-H150 HydrophobicContact CD1-CB 3.65Å; I141-H150 HydrophobicContact CG1-CB 4.13Å; H150-E152 PolarHBondContact O-N 3.41Å; H150-N175 PolarHBondContact CE1-OD1 2.85Å; H150-L176 PolarHBondContact CE1-N 3.3Å; H150-L176 VanDerWaalsContact CE1-N 3.35Å; H150-L176 PolarHBondContact CE1-O 2.83Å; H150-L176 PolarHBondContact ND1-O 2.92Å; H150-L176 PolarHBondContact NE2-N 2.62Å; H150-L176 PolarHBondContact NE2-O 2.77Å; H150-N177 PolarHBondContact CE1-OD1 3.12Å; H150-N177 PolarHBondContact ND1-OD1 3.49Å |
| 151 | S | 62.2 | Low | 60.4 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 79.5 | -178.5 | 163.6 | 0 | 0 | 0 | 0 | 110.8 | Q136 | Q136-S151 PolarHBondContact NE2-OG 3.48Å |
| 152 | E | 62.1 | Low | 60.5 | Low | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 148.3 | 175.7 | 57.5 | 177.7 | -140 | 0 | 0 | 112.5 | Q136 C137 Q139 H150 N154 A173 | Q136-E152 WeakPolarHBondContact CA-O 3.34Å; C137-E152 PolarHBondContact N-O 3.02Å; C137-E152 PolarHBondContact O-N 2.84Å; C137-E152 WeakPolarHBondContact SG-CG 3.41Å; C137-E152 PolarHBondContact SG-OE1 2.9Å; Q139-E152 HydrophobicContact CG-CG 4.18Å; Q139-E152 PolarHBondContact NE2-OE1 3.23Å; Q139-E152 PolarHBondContact NE2-OE2 2.97Å; Q139-E152 VanDerWaalsContact NE2-OE2 3.11Å; H150-E152 PolarHBondContact O-N 3.41Å; E152-N154 VanDerWaalsContact CD-ND2 3.28Å; E152-N154 PolarHBondContact OE1-ND2 3.03Å; E152-A173 HydrophobicContact CB-CB 4.15Å; E152-A173 WeakPolarHBondContact OE2-CB 3.39Å |
| 153 | V | 65.3 | Low | 60.6 | Low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.8 | 161.8 | -172.1 | 0 | 0 | 0 | 0 | 107.4 | V117 A134 Q136 L176 T180 Y183 | V117-V153 HydrophobicContact CG2-CG1 4.48Å; A134-V153 HydrophobicContact CB-CG1 4.25Å; Q136-V153 HydrophobicContact CB-CG2 4.01Å; Q136-V153 HydrophobicContact CG-CG2 4.08Å; V153-L176 HydrophobicContact CB-CD1 3.99Å; V153-L176 HydrophobicContact CG2-CD1 4.16Å; V153-T180 HydrophobicContact CG2-CG2 3.64Å; V153-Y183 HydrophobicContact CB-CD2 4.08Å; V153-Y183 HydrophobicContact CG1-CD2 3.47Å; V153-Y183 VanDerWaalsContact CG1-CD2 3.47Å; V153-Y183 HydrophobicContact CG1-CE2 4.1Å; V153-Y183 HydrophobicContact CG1-CG 3.89Å |
| 154 | N | 66.1 | Low | 61.1 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 146.7 | 175.1 | -71.1 | -107.1 | 0 | 0 | 0 | 109.4 | L135 E152 F156 R170 | L135-N154 PolarHBondContact N-O 2.7Å; L135-N154 PolarHBondContact O-N 2.66Å; E152-N154 VanDerWaalsContact CD-ND2 3.28Å; E152-N154 PolarHBondContact OE1-ND2 3.03Å; N154-F156 HydrophobicContact CB-CD2 3.83Å; N154-F156 HydrophobicContact CB-CE2 3.28Å; N154-F156 HydrophobicContact CB-CZ 3.95Å; N154-R170 PolarHBondContact OD1-NE 2.88Å; N154-R170 PolarHBondContact OD1-NH2 2.88Å |
| 155 | V | 67.4 | Low | 61 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.7 | 171 | -161.2 | 0 | 0 | 0 | 0 | 109 | F171 Y183 F185 Y192 | V155-F171 HydrophobicContact CB-CB 4.37Å; V155-F171 HydrophobicContact CB-CD2 3.98Å; V155-F171 HydrophobicContact CG1-CD2 4.15Å; V155-F171 PolarHBondContact O-N 2.83Å; V155-F171 VanDerWaalsContact O-N 3.09Å; V155-Y183 WeakPolarHBondContact CG1-OH 3.14Å; V155-Y183 HydrophobicContact CG2-CE2 3.78Å; V155-Y183 WeakPolarHBondContact CG2-OH 3.25Å; V155-F185 HydrophobicContact CG1-CZ 4.49Å; V155-Y192 HydrophobicContact CB-CE2 4.42Å; V155-Y192 HydrophobicContact CG1-CD2 4.5Å; V155-Y192 HydrophobicContact CG1-CE1 4.4Å; V155-Y192 HydrophobicContact CG1-CE2 3.76Å; V155-Y192 HydrophobicContact CG2-CD2 4.34Å; V155-Y192 HydrophobicContact CG2-CE2 4.23Å |
| 156 | F | 67.9 | Low | 61.4 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | 179.4 | -67.6 | -89.2 | 0 | 0 | 0 | 110.7 | F114 C133 L135 N154 F158 Q167 N169 R170 | F114-F156 HydrophobicContact CD1-CE2 4.38Å; F114-F156 AromaticContact CE1-CE2 3.74Å; F114-F156 HydrophobicContact CE1-CE2 3.74Å; F114-F156 AromaticContact CE1-CZ 3.79Å; F114-F156 HydrophobicContact CE1-CZ 3.79Å; F114-F156 AromaticContact CZ-CE2 3.93Å; F114-F156 HydrophobicContact CZ-CE2 3.93Å; F114-F156 AromaticContact CZ-CZ 3.85Å; F114-F156 HydrophobicContact CZ-CZ 3.85Å; C133-F156 PolarHBondContact N-O 3.16Å; C133-F156 PolarHBondContact O-N 3.09Å; L135-F156 HydrophobicContact CB-CD2 3.93Å; L135-F156 HydrophobicContact CB-CE2 3.98Å; L135-F156 HydrophobicContact CD1-CD2 3.43Å; L135-F156 VanDerWaalsContact CD1-CD2 3.43Å; L135-F156 HydrophobicContact CD1-CE2 3.72Å; L135-F156 HydrophobicContact CD1-CG 4.23Å; L135-F156 HydrophobicContact CG-CD2 3.75Å; L135-F156 HydrophobicContact CG-CE2 4.2Å; N154-F156 HydrophobicContact CB-CD2 3.83Å; N154-F156 HydrophobicContact CB-CE2 3.28Å; N154-F156 HydrophobicContact CB-CZ 3.95Å; F156-F158 HydrophobicContact CB-CD2 4.33Å; F156-F158 HydrophobicContact CB-CE2 3.47Å; F156-F158 VanDerWaalsContact CB-CE2 3.47Å; F156-F158 HydrophobicContact CB-CZ 3.62Å; F156-F158 HydrophobicContact CD1-CZ 4.46Å; F156-F158 HydrophobicContact CG-CE2 4.45Å; F156-F158 HydrophobicContact CG-CZ 4.2Å; F156-Q167 HydrophobicContact CD1-CG 4.15Å; F156-N169 WeakPolarHBondContact CA-O 3.42Å; F156-R170 HydrophobicContact CD1-CB 3.92Å; F156-R170 HydrophobicContact CD1-CG 4.11Å; F156-R170 HydrophobicContact CE1-CB 3.77Å; F156-R170 HydrophobicContact CE1-CG 3.59Å; F156-R170 HydrophobicContact CZ-CG 4.16Å |
| 157 | T | 68.4 | Low | 62.4 | Low | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.5 | 170 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | Q130 D132 V168 N169 F171 | Q130-T157 HydrophobicContact CB-CG2 3.98Å; Q130-T157 VanDerWaalsContact CD-CG2 3.44Å; Q130-T157 HydrophobicContact CG-CG2 4.08Å; D132-T157 VanDerWaalsContact OD1-CB 3.26Å; D132-T157 WeakPolarHBondContact OD1-CB 3.2Å; D132-T157 VanDerWaalsContact OD1-CG2 3.27Å; D132-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D132-T157 PolarHBondContact OD1-OG1 2.87Å; T157-V168 HydrophobicContact CG2-CB 4.34Å; T157-V168 PolarHBondContact O-N 2.9Å; T157-N169 PolarHBondContact N-O 3.43Å; T157-N169 PolarHBondContact O-N 3.01Å; T157-F171 WeakPolarHBondContact OG1-CE2 3.45Å |
| 158 | F | 69.2 | Low | 62.8 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.3 | 170.9 | -55.4 | -85 | 0 | 0 | 0 | 109.9 | L92 I94 L109 T110 Q130 I131 C133 F156 W165 L166 Q167 | L92-F158 HydrophobicContact CD2-CD2 4.15Å; L92-F158 HydrophobicContact CD2-CE2 3.41Å; L92-F158 VanDerWaalsContact CD2-CE2 3.41Å; L92-F158 HydrophobicContact CD2-CZ 3.73Å; I94-F158 HydrophobicContact CD1-CB 3.77Å; I94-F158 HydrophobicContact CD1-CD1 4.45Å; I94-F158 HydrophobicContact CD1-CD2 4.23Å; I94-F158 HydrophobicContact CD1-CG 3.9Å; L109-F158 HydrophobicContact CD2-CD1 3.73Å; L109-F158 HydrophobicContact CD2-CE1 3.81Å; T110-F158 HydrophobicContact CG2-CE1 4.04Å; T110-F158 HydrophobicContact CG2-CZ 4.44Å; Q130-F158 CarbonylContact C-O 3.12Å; Q130-F158 VanDerWaalsContact CA-O 3.24Å; Q130-F158 WeakPolarHBondContact CA-O 3.21Å; Q130-F158 WeakPolarHBondContact CB-O 3.46Å; I131-F158 PolarHBondContact N-O 3.24Å; I131-F158 PolarHBondContact O-N 2.73Å; C133-F158 HydrophobicContact CB-CD2 4.4Å; C133-F158 HydrophobicContact CB-CE2 3.98Å; C133-F158 VanDerWaalsContact SG-CD2 3.6Å; F156-F158 HydrophobicContact CB-CD2 4.33Å; F156-F158 HydrophobicContact CB-CE2 3.47Å; F156-F158 VanDerWaalsContact CB-CE2 3.47Å; F156-F158 HydrophobicContact CB-CZ 3.62Å; F156-F158 HydrophobicContact CD1-CZ 4.46Å; F156-F158 HydrophobicContact CG-CE2 4.45Å; F156-F158 HydrophobicContact CG-CZ 4.2Å; F158-W165 HydrophobicContact CB-CE3 3.93Å; F158-W165 HydrophobicContact CB-CZ3 4.4Å; F158-W165 WeakPolarHBondContact O-CZ3 3.36Å; F158-L166 CarbonylContact C-O 3.49Å; F158-L166 VanDerWaalsContact CA-O 3.26Å; F158-L166 WeakPolarHBondContact CA-O 3.47Å; F158-Q167 HydrophobicContact CD1-CB 3.92Å; F158-Q167 HydrophobicContact CD1-CG 4.45Å; F158-Q167 HydrophobicContact CE1-CB 3.84Å; F158-Q167 HydrophobicContact CE1-CG 4.09Å |
| 159 | A | 68.9 | Low | 62.9 | Low | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q130 S161 L166 V168 | Q130-A159 HydrophobicContact CB-CB 4.28Å; A159-S161 PolarHBondContact O-N 3.1Å; A159-L166 PolarHBondContact N-O 3.09Å; A159-L166 PolarHBondContact O-N 3.48Å; A159-V168 HydrophobicContact CB-CG2 3.41Å; A159-V168 VanDerWaalsContact CB-CG2 3.41Å |
| 160 | R | 62.4 | Low | 62.8 | Low | 135 Ų | 135 | 51.5 Ų | 51.5 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 105.5 | -179.6 | -175.7 | 172.7 | 175.1 | 164.2 | -2.6 | 110.4 | Y82 F129 W165 | Y82-R160 PolarHBondContact OH-NH1 3.3Å; F129-R160 HydrophobicContact CE1-CB 4.49Å; F129-R160 HydrophobicContact CZ-CB 4.44Å; R160-W165 HydrophobicContact CB-CD2 4.43Å; R160-W165 HydrophobicContact CB-CE3 4.13Å; R160-W165 HydrophobicContact CB-CH2 3.87Å; R160-W165 HydrophobicContact CB-CZ2 4.18Å; R160-W165 HydrophobicContact CB-CZ3 3.85Å |
| 161 | S | 62.8 | Low | 62.6 | Low | 27 Ų | 27 | 52.3 Ų | 52.3 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 164 | 161.2 | 81 | 0 | 0 | 0 | 0 | 110 | A159 F163 K164 | A159-S161 PolarHBondContact O-N 3.1Å; S161-F163 PolarHBondContact O-N 3.35Å; S161-K164 WeakPolarHBondContact CA-O 3.35Å; S161-K164 WeakPolarHBondContact CB-O 3.4Å; S161-K164 PolarHBondContact N-O 3.19Å; S161-K164 PolarHBondContact O-N 2.82Å; S161-K164 VanDerWaalsContact OG-CG 3.23Å; S161-K164 WeakPolarHBondContact OG-CG 3.23Å; S161-K164 PolarHBondContact OG-N 3.44Å; S161-K164 PolarHBondContact OG-O 3.41Å |
| 162 | P | 61.8 | Low | 61.8 | Low | 116 Ų | 116 | 57.2 Ų | 57.2 | 75% | 0.753 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.5 | -173.9 | -29.7 | 36.5 | 0 | 0 | 0 | 115.8 | ||
| 163 | F | 59.4 | Low | 61 | Low | 199 Ų | 199 | 58.3 Ų | 58.3 | 87% | 0.873 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -8.2 | -174.5 | -55 | -66.6 | 0 | 0 | 0 | 115 | S161 | S161-F163 PolarHBondContact O-N 3.35Š|
| 164 | K | 59.8 | Low | 60.3 | Low | 130 Ų | 130 | 60.1 Ų | 60.1 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 154.4 | -176.6 | 57.2 | 175.9 | 174.1 | 170.7 | 0 | 112.2 | S161 L166 | S161-K164 WeakPolarHBondContact CA-O 3.35Å; S161-K164 WeakPolarHBondContact CB-O 3.4Å; S161-K164 PolarHBondContact N-O 3.19Å; S161-K164 PolarHBondContact O-N 2.82Å; S161-K164 VanDerWaalsContact OG-CG 3.23Å; S161-K164 WeakPolarHBondContact OG-CG 3.23Å; S161-K164 PolarHBondContact OG-N 3.44Å; S161-K164 PolarHBondContact OG-O 3.41Å; K164-L166 HydrophobicContact CD-CD2 4Å; K164-L166 HydrophobicContact CG-CD2 4.42Å; K164-L166 HydrophobicContact CG-CG 4.45Å |
| 165 | W | 61.2 | Low | 59 | Low | 38 Ų | 38 | 65.4 Ų | 65.4 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.2 | 158.3 | -72.2 | 101.4 | 0 | 0 | 0 | 110.2 | Y82 I94 F129 I131 F158 R160 | Y82-W165 HydrophobicContact CD1-CZ2 4.33Å; Y82-W165 HydrophobicContact CE1-CZ2 4.04Å; I94-W165 HydrophobicContact CB-CD2 4.44Å; I94-W165 HydrophobicContact CB-CG 4.36Å; I94-W165 HydrophobicContact CD1-CB 4.35Å; I94-W165 HydrophobicContact CD1-CD2 3.78Å; I94-W165 HydrophobicContact CD1-CE3 4.03Å; I94-W165 HydrophobicContact CD1-CG 3.9Å; I94-W165 HydrophobicContact CG2-CD2 4.2Å; I94-W165 HydrophobicContact CG2-CH2 4.43Å; I94-W165 HydrophobicContact CG2-CZ2 3.66Å; F129-W165 HydrophobicContact CD2-CH2 4.21Å; F129-W165 AromaticContact CE2-CH2 3.49Å; F129-W165 HydrophobicContact CE2-CH2 3.49Å; F129-W165 VanDerWaalsContact CE2-CH2 3.49Å; F129-W165 HydrophobicContact CE2-CZ2 4.03Å; F129-W165 AromaticContact CZ-CH2 3.9Å; F129-W165 HydrophobicContact CZ-CH2 3.9Å; F129-W165 HydrophobicContact CZ-CZ2 4.16Å; I131-W165 HydrophobicContact CD1-CH2 3.65Å; I131-W165 HydrophobicContact CD1-CZ2 3.99Å; I131-W165 HydrophobicContact CD1-CZ3 4.3Å; I131-W165 HydrophobicContact CG1-CH2 3.68Å; I131-W165 HydrophobicContact CG1-CZ3 4Å; F158-W165 HydrophobicContact CB-CE3 3.93Å; F158-W165 HydrophobicContact CB-CZ3 4.4Å; F158-W165 WeakPolarHBondContact O-CZ3 3.36Å; R160-W165 HydrophobicContact CB-CD2 4.43Å; R160-W165 HydrophobicContact CB-CE3 4.13Å; R160-W165 HydrophobicContact CB-CH2 3.87Å; R160-W165 HydrophobicContact CB-CZ2 4.18Å; R160-W165 HydrophobicContact CB-CZ3 3.85Å |
| 166 | L | 61.6 | Low | 57.8 | Low | 73 Ų | 73 | 65.6 Ų | 65.6 | 38% | 0.382 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.9 | 170.2 | -73.6 | 175.4 | 0 | 0 | 0 | 107.9 | F158 A159 K164 V168 | F158-L166 CarbonylContact C-O 3.49Å; F158-L166 VanDerWaalsContact CA-O 3.26Å; F158-L166 WeakPolarHBondContact CA-O 3.47Å; A159-L166 PolarHBondContact N-O 3.09Å; A159-L166 PolarHBondContact O-N 3.48Å; K164-L166 HydrophobicContact CD-CD2 4Å; K164-L166 HydrophobicContact CG-CD2 4.42Å; K164-L166 HydrophobicContact CG-CG 4.45Å; L166-V168 PolarHBondContact O-N 3.28Å |
| 167 | Q | 62.9 | Low | 56.5 | Low | 78 Ų | 78 | 68.6 Ų | 68.6 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 111.3 | 158.9 | -176.2 | -169.5 | -55.5 | 0 | 0 | 106.5 | L109 F156 F158 | L109-Q167 HydrophobicContact CD2-CB 4.23Å; F156-Q167 HydrophobicContact CD1-CG 4.15Å; F158-Q167 HydrophobicContact CD1-CB 3.92Å; F158-Q167 HydrophobicContact CD1-CG 4.45Å; F158-Q167 HydrophobicContact CE1-CB 3.84Å; F158-Q167 HydrophobicContact CE1-CG 4.09Å |
| 168 | V | 61.9 | Low | 55.2 | Low | 84 Ų | 84 | 69.7 Ų | 69.7 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -50 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 109 | T157 A159 L166 | T157-V168 HydrophobicContact CG2-CB 4.34Å; T157-V168 PolarHBondContact O-N 2.9Å; A159-V168 HydrophobicContact CB-CG2 3.41Å; A159-V168 VanDerWaalsContact CB-CG2 3.41Å; L166-V168 PolarHBondContact O-N 3.28Å |
| 169 | N | 57.2 | Low | 53.9 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.5 | 175.6 | -59 | -26.2 | 0 | 0 | 0 | 109.3 | F156 T157 F171 | F156-N169 WeakPolarHBondContact CA-O 3.42Å; T157-N169 PolarHBondContact N-O 3.43Å; T157-N169 PolarHBondContact O-N 3.01Å; N169-F171 HydrophobicContact CB-CD1 4.2Å; N169-F171 HydrophobicContact CB-CD2 3.93Å; N169-F171 HydrophobicContact CB-CE1 3.96Å; N169-F171 HydrophobicContact CB-CE2 3.68Å; N169-F171 HydrophobicContact CB-CG 4.22Å; N169-F171 HydrophobicContact CB-CZ 3.73Å; N169-F171 WeakPolarHBondContact ND2-CZ 3.37Å |
| 170 | R | 50.4 | Low | 52.8 | Low | 94 Ų | 94 | 70.5 Ų | 70.5 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.6 | 141.9 | 172.8 | -179.7 | -165.1 | 151.7 | 12.1 | 104.4 | E112 N154 F156 | E112-R170 VanDerWaalsContact CD-NH1 3.27Å; E112-R170 IonicContact OE1-CZ 3.01Å; E112-R170 IonicContact OE1-NH1 3.68Å; E112-R170 PolarHBondContact OE1-NH1 2.76Å; E112-R170 IonicContact OE1-NH2 3.69Å; E112-R170 IonicContact OE2-CZ 3.99Å; E112-R170 VanDerWaalsContact OE2-CZ 3.26Å; E112-R170 IonicContact OE2-NH1 2.78Å; E112-R170 PolarHBondContact OE2-NH1 3.23Å; E112-R170 IonicContact OE2-NH2 3.77Å; E112-R170 PolarHBondContact OE2-NH2 3.03Å; N154-R170 PolarHBondContact OD1-NE 2.88Å; N154-R170 PolarHBondContact OD1-NH2 2.88Å; F156-R170 HydrophobicContact CD1-CB 3.92Å; F156-R170 HydrophobicContact CD1-CG 4.11Å; F156-R170 HydrophobicContact CE1-CB 3.77Å; F156-R170 HydrophobicContact CE1-CG 3.59Å; F156-R170 HydrophobicContact CZ-CG 4.16Å |
| 171 | F | 55.3 | Low | 52.2 | Low | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 155.5 | 169.6 | -60.5 | -77.8 | 0 | 0 | 0 | 108.9 | V155 T157 N169 A173 H273 | V155-F171 HydrophobicContact CB-CB 4.37Å; V155-F171 HydrophobicContact CB-CD2 3.98Å; V155-F171 HydrophobicContact CG1-CD2 4.15Å; V155-F171 PolarHBondContact O-N 2.83Å; V155-F171 VanDerWaalsContact O-N 3.09Å; T157-F171 WeakPolarHBondContact OG1-CE2 3.45Å; N169-F171 HydrophobicContact CB-CD1 4.2Å; N169-F171 HydrophobicContact CB-CD2 3.93Å; N169-F171 HydrophobicContact CB-CE1 3.96Å; N169-F171 HydrophobicContact CB-CE2 3.68Å; N169-F171 HydrophobicContact CB-CG 4.22Å; N169-F171 HydrophobicContact CB-CZ 3.73Å; N169-F171 WeakPolarHBondContact ND2-CZ 3.37Å; F171-A173 PolarHBondContact O-N 2.82Å; F171-H273 WeakPolarHBondContact CB-CE1 3.34Å; F171-H273 WeakPolarHBondContact CB-NE2 3.46Å; F171-H273 AromaticContact CD1-CD2 3.42Å; F171-H273 VanDerWaalsContact CD1-CD2 3.42Å; F171-H273 WeakPolarHBondContact CD1-CD2 3.1Å; F171-H273 AromaticContact CD1-NE2 3.25Å; F171-H273 VanDerWaalsContact CD1-NE2 3.25Å; F171-H273 WeakPolarHBondContact CD1-NE2 3.41Å; F171-H273 AromaticContact CD2-CE1 3.91Å; F171-H273 AromaticContact CD2-NE2 3.34Å; F171-H273 VanDerWaalsContact CD2-NE2 3.34Å; F171-H273 WeakPolarHBondContact CD2-NE2 3.41Å; F171-H273 AromaticContact CE1-CD2 3.76Å; F171-H273 AromaticContact CE1-NE2 3.64Å; F171-H273 AromaticContact CE2-NE2 3.72Å; F171-H273 AromaticContact CG-CD2 3.71Å; F171-H273 AromaticContact CG-CE1 3.57Å; F171-H273 AromaticContact CG-NE2 3.04Å; F171-H273 WeakPolarHBondContact CG-NE2 3.32Å; F171-H273 AromaticContact CZ-NE2 3.83Å |
| 172 | P | 45.7 | Very low | 51.6 | Low | 102 Ų | 102 | 67 Ų | 67 | 66% | 0.662 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -53 | 141.1 | 178.9 | -25 | 34.6 | 0 | 0 | 0 | 110.8 | L174 | P172-L174 PolarHBondContact O-N 2.77Å; P172-L174 VanDerWaalsContact O-N 3.16Å |
| 173 | A | 45.8 | Very low | 51 | Low | 35 Ų | 35 | 61.5 Ų | 61.5 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 125.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | E152 F171 N175 | E152-A173 HydrophobicContact CB-CB 4.15Å; E152-A173 WeakPolarHBondContact OE2-CB 3.39Å; F171-A173 PolarHBondContact O-N 2.82Å; A173-N175 PolarHBondContact O-N 3.14Å |
| 174 | L | 49.2 | Very low | 50.6 | Low | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 128.7 | 168.3 | -73.1 | 152.7 | 0 | 0 | 0 | 105.8 | P172 L176 L194 L268 | P172-L174 PolarHBondContact O-N 2.77Å; P172-L174 VanDerWaalsContact O-N 3.16Å; L174-L176 HydrophobicContact CB-CD1 3.69Å; L174-L176 HydrophobicContact CB-CD2 4.09Å; L174-L176 HydrophobicContact CB-CG 3.75Å; L174-L176 WeakPolarHBondContact O-CD1 3.41Å; L174-L176 WeakPolarHBondContact O-CG 3.36Å; L174-L176 PolarHBondContact O-N 3.45Å; L174-L194 HydrophobicContact CD1-CD1 3.86Å; L174-L194 HydrophobicContact CD1-CD2 3.54Å; L174-L194 HydrophobicContact CD1-CG 4.38Å; L174-L268 HydrophobicContact CD1-CD1 3.47Å; L174-L268 VanDerWaalsContact CD1-CD1 3.47Å; L174-L268 HydrophobicContact CD2-CD1 3.71Å; L174-L268 HydrophobicContact CG-CD1 4.21Å |
| 175 | N | 39.4 | Very low | 49.9 | Very low | 111 Ų | 111 | 46.2 Ų | 46.2 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | trans | -80.6 | 74 | -172.3 | -163.7 | -23.1 | 0 | 0 | 0 | 109.6 | H150 A173 N177 | H150-N175 PolarHBondContact CE1-OD1 2.85Å; A173-N175 PolarHBondContact O-N 3.14Å; N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 PolarHBondContact OD1-ND2 2.83Å; N175-N177 PolarHBondContact OD1-OD1 2.87Å; N175-N177 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 176 | L | 43 | Very low | 49.1 | Very low | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -89.9 | 79.4 | -171.6 | -59.3 | 154.3 | 0 | 0 | 0 | 106.9 | H150 V153 L174 T178 T180 L194 V196 | H150-L176 PolarHBondContact CE1-N 3.3Å; H150-L176 VanDerWaalsContact CE1-N 3.35Å; H150-L176 PolarHBondContact CE1-O 2.83Å; H150-L176 PolarHBondContact ND1-O 2.92Å; H150-L176 PolarHBondContact NE2-N 2.62Å; H150-L176 PolarHBondContact NE2-O 2.77Å; V153-L176 HydrophobicContact CB-CD1 3.99Å; V153-L176 HydrophobicContact CG2-CD1 4.16Å; L174-L176 HydrophobicContact CB-CD1 3.69Å; L174-L176 HydrophobicContact CB-CD2 4.09Å; L174-L176 HydrophobicContact CB-CG 3.75Å; L174-L176 WeakPolarHBondContact O-CD1 3.41Å; L174-L176 WeakPolarHBondContact O-CG 3.36Å; L174-L176 PolarHBondContact O-N 3.45Å; L176-T178 PolarHBondContact O-N 2.93Å; L176-T178 VanDerWaalsContact O-O 3.07Å; L176-T180 WeakPolarHBondContact CB-OG1 3.32Å; L176-T180 VanDerWaalsContact CD1-OG1 3.22Å; L176-T180 WeakPolarHBondContact CD1-OG1 3.37Å; L176-T180 WeakPolarHBondContact CD2-OG1 3.41Å; L176-T180 WeakPolarHBondContact CG-OG1 3.47Å; L176-L194 HydrophobicContact CD1-CD2 4.12Å; L176-L194 HydrophobicContact CD2-CD2 3.99Å; L176-V196 HydrophobicContact CD2-CB 3.84Å; L176-V196 HydrophobicContact CD2-CG1 3.39Å; L176-V196 HydrophobicContact CD2-CG2 3.28Å | ||
| 177 | N | 39.1 | Very low | 48.4 | Very low | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | trans | -65.1 | 19.3 | -171.2 | -85.2 | -36.1 | 0 | 0 | 0 | 115.8 | H150 N175 I199 | H150-N177 PolarHBondContact CE1-OD1 3.12Å; H150-N177 PolarHBondContact ND1-OD1 3.49Å; N175-N177 PolarHBondContact O-N 3.07Å; N175-N177 PolarHBondContact OD1-ND2 2.83Å; N175-N177 PolarHBondContact OD1-OD1 2.87Å; N175-N177 VanDerWaalsContact OD1-OD1 3.09Å; N177-I199 HydrophobicContact CB-CD1 3.96Å; N177-I199 HydrophobicContact CB-CG1 3.96Å; N177-I199 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 178 | T | 42 | Very low | 47.1 | Very low | 24 Ų | 24 | 44.9 Ų | 44.9 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -165.9 | 174.8 | -159.2 | 56.9 | 0 | 0 | 0 | 0 | 108.5 | L176 T180 L197 | L176-T178 PolarHBondContact O-N 2.93Å; L176-T178 VanDerWaalsContact O-O 3.07Å; T178-T180 PolarHBondContact O-N 2.81Å; T178-L197 VanDerWaalsContact CB-CB 3.46Å; T178-L197 HydrophobicContact CG2-CB 3.95Å; T178-L197 WeakPolarHBondContact CG2-O 3.24Å; T178-L197 VanDerWaalsContact OG1-CB 3.31Å; T178-L197 WeakPolarHBondContact OG1-CB 3.23Å; T178-L197 PolarHBondContact OG1-O 3.4Å |
| 179 | L | 42 | Very low | 46 | Very low | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | trans | -69.1 | 113.3 | 177.5 | -71.2 | 170.9 | 0 | 0 | 0 | 111.9 | Q28 L31 Q181 L197 | Q28-L179 HydrophobicContact CB-CD2 3.94Å; Q28-L179 HydrophobicContact CG-CD1 4.21Å; Q28-L179 HydrophobicContact CG-CD2 3.86Å; Q28-L179 HydrophobicContact CG-CG 3.97Å; L31-L179 HydrophobicContact CD1-CD1 4.29Å; L179-Q181 PolarHBondContact O-N 3.47Å; L179-L197 HydrophobicContact CB-CD1 3.87Å; L179-L197 VanDerWaalsContact O-CD1 3.23Å; L179-L197 WeakPolarHBondContact O-CD1 3.31Å | ||
| 180 | T | 46.1 | Very low | 45.5 | Very low | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 111.7 | 163.1 | -63.5 | 0 | 0 | 0 | 0 | 109 | Q136 V153 L176 T178 F182 L194 C195 | Q136-T180 PolarHBondContact NE2-O 2.88Å; V153-T180 HydrophobicContact CG2-CG2 3.64Å; L176-T180 WeakPolarHBondContact CB-OG1 3.32Å; L176-T180 VanDerWaalsContact CD1-OG1 3.22Å; L176-T180 WeakPolarHBondContact CD1-OG1 3.37Å; L176-T180 WeakPolarHBondContact CD2-OG1 3.41Å; L176-T180 WeakPolarHBondContact CG-OG1 3.47Å; T178-T180 PolarHBondContact O-N 2.81Å; T180-F182 WeakPolarHBondContact CG2-O 2.83Å; T180-L194 HydrophobicContact CG2-CD2 4.4Å; T180-C195 WeakPolarHBondContact CA-O 3.23Å |
| 181 | Q | 48.6 | Very low | 45.1 | Very low | 79 Ų | 79 | 41.8 Ų | 41.8 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -19.3 | -173.9 | -69.6 | 169.1 | -21.9 | 0 | 0 | 112.7 | L179 C195 F286 | L179-Q181 PolarHBondContact O-N 3.47Å; Q181-C195 PolarHBondContact N-O 2.71Å; Q181-F286 HydrophobicContact CB-CD1 3.95Å; Q181-F286 HydrophobicContact CB-CE1 4.21Å; Q181-F286 HydrophobicContact CB-CG 4.19Å; Q181-F286 VanDerWaalsContact OE1-CB 3.23Å |
| 182 | F | 52 | Low | 44.6 | Very low | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 144 | 178.7 | 177.9 | -122.9 | 0 | 0 | 0 | 111.9 | T180 C184 L193 L194 C195 F286 S289 P298 F300 | T180-F182 WeakPolarHBondContact CG2-O 2.83Å; F182-C184 HydrophobicContact CE1-CB 3.61Å; F182-C184 HydrophobicContact CE2-CB 3.96Å; F182-C184 HydrophobicContact CZ-CB 3.24Å; F182-L193 HydrophobicContact CE1-CD2 4.13Å; F182-L194 WeakPolarHBondContact O-CA 3.42Å; F182-C195 HydrophobicContact CB-CB 4.17Å; F182-C195 PolarHBondContact O-N 2.88Å; F182-F286 HydrophobicContact CB-CE2 3.71Å; F182-F286 HydrophobicContact CB-CZ 3.81Å; F182-F286 HydrophobicContact CG-CE2 4.3Å; F182-F286 HydrophobicContact CG-CZ 4.45Å; F182-S289 VanDerWaalsContact CD2-CB 3.44Å; F182-S289 WeakPolarHBondContact CD2-OG 3.27Å; F182-S289 VanDerWaalsContact CE2-CB 3.44Å; F182-P298 HydrophobicContact CE2-CB 3.94Å; F182-P298 HydrophobicContact CE2-CG 4.04Å; F182-P298 HydrophobicContact CZ-CB 3.75Å; F182-P298 HydrophobicContact CZ-CG 3.94Å; F182-F300 HydrophobicContact CD1-CB 4.42Å; F182-F300 HydrophobicContact CE1-CB 4.42Å |
| 183 | Y | 48.6 | Very low | 44.4 | Very low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.6 | 166.6 | -176.4 | -67.4 | 0 | 0 | 0 | 108.8 | A134 V153 V155 F185 Y192 L193 L194 | A134-Y183 HydrophobicContact CB-CD1 3.15Å; A134-Y183 HydrophobicContact CB-CD2 4.34Å; A134-Y183 HydrophobicContact CB-CE1 3.37Å; A134-Y183 HydrophobicContact CB-CE2 4.46Å; A134-Y183 HydrophobicContact CB-CG 3.74Å; V153-Y183 HydrophobicContact CB-CD2 4.08Å; V153-Y183 HydrophobicContact CG1-CD2 3.47Å; V153-Y183 VanDerWaalsContact CG1-CD2 3.47Å; V153-Y183 HydrophobicContact CG1-CE2 4.1Å; V153-Y183 HydrophobicContact CG1-CG 3.89Å; V155-Y183 WeakPolarHBondContact CG1-OH 3.14Å; V155-Y183 HydrophobicContact CG2-CE2 3.78Å; V155-Y183 WeakPolarHBondContact CG2-OH 3.25Å; Y183-F185 HydrophobicContact CE1-CD2 4.32Å; Y183-F185 HydrophobicContact CE1-CE1 4.46Å; Y183-F185 AromaticContact CE1-CE2 3.96Å; Y183-F185 HydrophobicContact CE1-CE2 3.96Å; Y183-F185 HydrophobicContact CE1-CZ 4.02Å; Y183-Y192 HydrophobicContact CE1-CD1 4.34Å; Y183-Y192 HydrophobicContact CE1-CG 4.36Å; Y183-Y192 AromaticContact CZ-CG 3.79Å; Y183-Y192 WeakPolarHBondContact OH-CB 3.38Å; Y183-Y192 VanDerWaalsContact OH-CD1 3.25Å; Y183-Y192 WeakPolarHBondContact OH-CD1 3.05Å; Y183-Y192 WeakPolarHBondContact OH-CD2 3.45Å; Y183-L193 CarbonylContact C-O 3.48Å; Y183-L193 VanDerWaalsContact CA-O 3.25Å; Y183-L193 WeakPolarHBondContact CA-O 3.26Å; Y183-L194 HydrophobicContact CD2-CD1 3.93Å; Y183-L194 HydrophobicContact CD2-CD2 3.64Å; Y183-L194 HydrophobicContact CD2-CG 3.52Å; Y183-L194 HydrophobicContact CE2-CD1 3.86Å; Y183-L194 HydrophobicContact CE2-CD2 4.11Å; Y183-L194 HydrophobicContact CE2-CG 3.99Å; Y183-L194 HydrophobicContact CG-CG 4.31Å |
| 184 | C | 50.8 | Low | 44.3 | Very low | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.3 | 176.3 | 141.3 | 0 | 0 | 0 | 0 | 113.9 | F182 V186 Y192 L193 P298 | F182-C184 HydrophobicContact CE1-CB 3.61Å; F182-C184 HydrophobicContact CE2-CB 3.96Å; F182-C184 HydrophobicContact CZ-CB 3.24Å; C184-V186 VanDerWaalsContact SG-CG2 3.54Å; C184-Y192 CarbonylContact O-C 3.35Å; C184-Y192 WeakPolarHBondContact O-CA 3.45Å; C184-L193 HydrophobicContact CB-CB 4.21Å; C184-L193 PolarHBondContact N-O 2.88Å; C184-L193 PolarHBondContact O-N 2.85Å; C184-P298 HydrophobicContact CB-CG 4.39Å; C184-P298 VanDerWaalsContact SG-CD 3.51Å |
| 185 | F | 45.7 | Very low | 43.8 | Very low | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.1 | 165.6 | -69 | -87.2 | 0 | 0 | 0 | 112.1 | D118 K120 D132 A134 V155 Y183 Y192 | D118-F185 HydrophobicContact CB-CD2 3.92Å; D118-F185 HydrophobicContact CB-CE2 4.22Å; D118-F185 WeakPolarHBondContact O-CE2 3.36Å; D118-F185 PolarHBondContact OD2-N 2.81Å; D118-F185 VanDerWaalsContact OD2-N 3.1Å; K120-F185 HydrophobicContact CB-CB 3.98Å; K120-F185 HydrophobicContact CB-CD1 4.15Å; K120-F185 HydrophobicContact CB-CD2 4.23Å; K120-F185 HydrophobicContact CB-CG 3.83Å; K120-F185 HydrophobicContact CD-CB 3.81Å; K120-F185 HydrophobicContact CD-CG 4.43Å; D132-F185 VanDerWaalsContact C-CZ 3.43Å; D132-F185 HydrophobicContact CB-CD1 4.2Å; D132-F185 HydrophobicContact CB-CE1 3.42Å; D132-F185 VanDerWaalsContact CB-CE1 3.42Å; D132-F185 HydrophobicContact CB-CZ 3.92Å; D132-F185 WeakPolarHBondContact O-CZ 3.04Å; A134-F185 HydrophobicContact CB-CE2 3.79Å; A134-F185 HydrophobicContact CB-CZ 4.2Å; V155-F185 HydrophobicContact CG1-CZ 4.49Å; Y183-F185 HydrophobicContact CE1-CD2 4.32Å; Y183-F185 HydrophobicContact CE1-CE1 4.46Å; Y183-F185 AromaticContact CE1-CE2 3.96Å; Y183-F185 HydrophobicContact CE1-CE2 3.96Å; Y183-F185 HydrophobicContact CE1-CZ 4.02Å; F185-Y192 AromaticContact CD1-CD1 3.57Å; F185-Y192 HydrophobicContact CD1-CD1 3.57Å; F185-Y192 AromaticContact CD1-CE1 3.4Å; F185-Y192 HydrophobicContact CD1-CE1 3.4Å; F185-Y192 AromaticContact CE1-CD1 3.67Å; F185-Y192 HydrophobicContact CE1-CD1 3.67Å; F185-Y192 AromaticContact CE1-CE1 3.26Å; F185-Y192 HydrophobicContact CE1-CE1 3.26Å; F185-Y192 HydrophobicContact CG-CD1 4.45Å; F185-Y192 HydrophobicContact CZ-CE1 4.41Å |
| 186 | V | 44.5 | Very low | 44 | Very low | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.6 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | C184 N191 L193 W267 P297 V313 | C184-V186 VanDerWaalsContact SG-CG2 3.54Å; V186-N191 HydrophobicContact CB-CB 4.12Å; V186-N191 PolarHBondContact N-O 2.79Å; V186-N191 CarbonylContact O-C 3.44Å; V186-N191 WeakPolarHBondContact O-CA 3.47Å; V186-N191 VanDerWaalsContact O-CB 3.3Å; V186-N191 WeakPolarHBondContact O-CB 3.36Å; V186-N191 PolarHBondContact O-N 3.18Å; V186-L193 HydrophobicContact CG2-CB 3.8Å; V186-L193 HydrophobicContact CG2-CD1 4.27Å; V186-W267 HydrophobicContact CB-CH2 4.29Å; V186-W267 HydrophobicContact CB-CZ2 4.25Å; V186-W267 HydrophobicContact CG1-CH2 3.33Å; V186-W267 HydrophobicContact CG1-CZ2 3.65Å; V186-W267 HydrophobicContact CG1-CZ3 4.01Å; V186-P297 HydrophobicContact CB-CG 4.26Å; V186-P297 HydrophobicContact CG1-CG 3.92Å; V186-P297 HydrophobicContact CG2-CB 4.39Å; V186-P297 HydrophobicContact CG2-CG 4.06Å; V186-V313 HydrophobicContact CG1-CG1 4.13Å; V186-V313 HydrophobicContact CG2-CG1 4.23Å |
| 187 | D | 46.6 | Very low | 43.8 | Very low | 59 Ų | 59 | 28.6 Ų | 28.6 | 32% | 0.316 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 165.8 | 167.4 | -161.5 | 20 | 0 | 0 | 0 | 117.3 | K120 L189 | K120-D187 VanDerWaalsContact NZ-C 3.33Å; K120-D187 PolarHBondContact NZ-O 2.91Å; D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 2.93Å |
| 188 | C | 35.5 | Very low | 43.6 | Very low | 100 Ų | 100 | 26.1 Ų | 26.1 | 68% | 0.676 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17 | -174.1 | -71.1 | 0 | 0 | 0 | 0 | 114.3 | R190 | C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 3.46Å |
| 189 | L | 37.6 | Very low | 43.3 | Very low | 126 Ų | 126 | 29.5 Ų | 29.5 | 66% | 0.66 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7.8 | -176.4 | -65.5 | 175.3 | 0 | 0 | 0 | 114.7 | D187 | D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 2.93Å |
| 190 | R | 47.1 | Very low | 43.4 | Very low | 46 Ų | 46 | 32.9 Ų | 32.9 | 17% | 0.174 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 81.2 | -167.3 | -48.3 | 166.9 | -173.9 | 168.4 | -3.8 | 110.3 | C122 P123 Q130 C188 G270 N271 | C122-R190 HydrophobicContact CB-CG 4.34Å; P123-R190 PolarHBondContact O-NH2 2.79Å; Q130-R190 VanDerWaalsContact CD-NH2 3.29Å; Q130-R190 VanDerWaalsContact NE2-CZ 3.26Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 3.46Å; R190-G270 WeakPolarHBondContact O-CA 3.22Å; R190-G270 PolarHBondContact O-N 2.75Å; R190-N271 WeakPolarHBondContact CD-OD1 3.34Å; R190-N271 PolarHBondContact NH1-OD1 3.49Å |
| 191 | N | 42 | Very low | 43.2 | Very low | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 156.9 | 164.8 | -70.4 | -78.3 | 0 | 0 | 0 | 109.8 | V186 W267 L268 L276 | V186-N191 HydrophobicContact CB-CB 4.12Å; V186-N191 PolarHBondContact N-O 2.79Å; V186-N191 CarbonylContact O-C 3.44Å; V186-N191 WeakPolarHBondContact O-CA 3.47Å; V186-N191 VanDerWaalsContact O-CB 3.3Å; V186-N191 WeakPolarHBondContact O-CB 3.36Å; V186-N191 PolarHBondContact O-N 3.18Å; N191-W267 HydrophobicContact CB-CZ2 3.86Å; N191-W267 VanDerWaalsContact CB-NE1 3.3Å; N191-W267 PolarHBondContact OD1-NE1 2.73Å; N191-L268 VanDerWaalsContact CA-O 3.32Å; N191-L268 WeakPolarHBondContact CA-O 3.22Å; N191-L268 PolarHBondContact OD1-O 3.19Å; N191-L276 WeakPolarHBondContact OD1-CD1 3.42Å |
| 192 | Y | 44.7 | Very low | 43.2 | Very low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | 177.7 | -46 | -44.6 | 0 | 0 | 0 | 111.9 | V155 Y183 C184 F185 W267 L268 G270 H273 | V155-Y192 HydrophobicContact CB-CE2 4.42Å; V155-Y192 HydrophobicContact CG1-CD2 4.5Å; V155-Y192 HydrophobicContact CG1-CE1 4.4Å; V155-Y192 HydrophobicContact CG1-CE2 3.76Å; V155-Y192 HydrophobicContact CG2-CD2 4.34Å; V155-Y192 HydrophobicContact CG2-CE2 4.23Å; Y183-Y192 HydrophobicContact CE1-CD1 4.34Å; Y183-Y192 HydrophobicContact CE1-CG 4.36Å; Y183-Y192 AromaticContact CZ-CG 3.79Å; Y183-Y192 WeakPolarHBondContact OH-CB 3.38Å; Y183-Y192 VanDerWaalsContact OH-CD1 3.25Å; Y183-Y192 WeakPolarHBondContact OH-CD1 3.05Å; Y183-Y192 WeakPolarHBondContact OH-CD2 3.45Å; C184-Y192 CarbonylContact O-C 3.35Å; C184-Y192 WeakPolarHBondContact O-CA 3.45Å; F185-Y192 AromaticContact CD1-CD1 3.57Å; F185-Y192 HydrophobicContact CD1-CD1 3.57Å; F185-Y192 AromaticContact CD1-CE1 3.4Å; F185-Y192 HydrophobicContact CD1-CE1 3.4Å; F185-Y192 AromaticContact CE1-CD1 3.67Å; F185-Y192 HydrophobicContact CE1-CD1 3.67Å; F185-Y192 AromaticContact CE1-CE1 3.26Å; F185-Y192 HydrophobicContact CE1-CE1 3.26Å; F185-Y192 HydrophobicContact CG-CD1 4.45Å; F185-Y192 HydrophobicContact CZ-CE1 4.41Å; Y192-W267 CarbonylContact O-C 3.51Å; Y192-W267 VanDerWaalsContact O-CA 3.27Å; Y192-W267 WeakPolarHBondContact O-CA 3.37Å; Y192-L268 HydrophobicContact CD2-CB 4.23Å; Y192-L268 HydrophobicContact CD2-CD1 4.44Å; Y192-L268 PolarHBondContact N-O 2.83Å; Y192-L268 PolarHBondContact O-N 3.42Å; Y192-G270 WeakPolarHBondContact OH-CA 3.41Å; Y192-G270 PolarHBondContact OH-O 3.14Å; Y192-H273 AromaticContact CE2-CE1 3.65Å; Y192-H273 AromaticContact CE2-NE2 3.6Å |
| 193 | L | 41.4 | Very low | 42.6 | Very low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136 | 173.9 | -148.3 | 76.6 | 0 | 0 | 0 | 110 | F182 Y183 C184 V186 T266 W267 F300 V313 W318 | F182-L193 HydrophobicContact CE1-CD2 4.13Å; Y183-L193 CarbonylContact C-O 3.48Å; Y183-L193 VanDerWaalsContact CA-O 3.25Å; Y183-L193 WeakPolarHBondContact CA-O 3.26Å; C184-L193 HydrophobicContact CB-CB 4.21Å; C184-L193 PolarHBondContact N-O 2.88Å; C184-L193 PolarHBondContact O-N 2.85Å; V186-L193 HydrophobicContact CG2-CB 3.8Å; V186-L193 HydrophobicContact CG2-CD1 4.27Å; L193-T266 CarbonylContact C-O 3.55Å; L193-T266 WeakPolarHBondContact CA-O 3.39Å; L193-W267 HydrophobicContact CD1-CB 4.41Å; L193-W267 HydrophobicContact CD1-CD2 4.37Å; L193-W267 HydrophobicContact CD1-CE3 3.87Å; L193-F300 HydrophobicContact CD2-CD1 4.4Å; L193-F300 HydrophobicContact CD2-CE1 4.43Å; L193-V313 HydrophobicContact CD1-CG1 3.97Å; L193-V313 HydrophobicContact CD2-CB 4.47Å; L193-V313 HydrophobicContact CD2-CG1 4.36Å; L193-V313 HydrophobicContact CD2-CG2 3.77Å; L193-W318 HydrophobicContact CD1-CH2 3.28Å; L193-W318 HydrophobicContact CD1-CZ2 3.9Å; L193-W318 HydrophobicContact CD1-CZ3 3.86Å; L193-W318 HydrophobicContact CD2-CH2 4.03Å; L193-W318 HydrophobicContact CD2-CZ3 3.81Å; L193-W318 HydrophobicContact CG-CH2 3.84Å; L193-W318 HydrophobicContact CG-CZ3 4.16Å |
| 194 | L | 43.8 | Very low | 42.6 | Very low | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.2 | 173.3 | -68.2 | 94.1 | 0 | 0 | 0 | 111.8 | L174 L176 T180 F182 Y183 V196 F264 L265 T266 L268 | L174-L194 HydrophobicContact CD1-CD1 3.86Å; L174-L194 HydrophobicContact CD1-CD2 3.54Å; L174-L194 HydrophobicContact CD1-CG 4.38Å; L176-L194 HydrophobicContact CD1-CD2 4.12Å; L176-L194 HydrophobicContact CD2-CD2 3.99Å; T180-L194 HydrophobicContact CG2-CD2 4.4Å; F182-L194 WeakPolarHBondContact O-CA 3.42Å; Y183-L194 HydrophobicContact CD2-CD1 3.93Å; Y183-L194 HydrophobicContact CD2-CD2 3.64Å; Y183-L194 HydrophobicContact CD2-CG 3.52Å; Y183-L194 HydrophobicContact CE2-CD1 3.86Å; Y183-L194 HydrophobicContact CE2-CD2 4.11Å; Y183-L194 HydrophobicContact CE2-CG 3.99Å; Y183-L194 HydrophobicContact CG-CG 4.31Å; L194-V196 HydrophobicContact CB-CG2 3.73Å; L194-V196 HydrophobicContact CD2-CG2 4.38Å; L194-F264 VanDerWaalsContact O-O 3.13Å; L194-L265 CarbonylContact O-C 3.49Å; L194-L265 WeakPolarHBondContact O-CA 3.14Å; L194-T266 PolarHBondContact N-O 2.96Å; L194-T266 PolarHBondContact O-N 2.79Å; L194-L268 HydrophobicContact CD1-CD1 3.62Å; L194-L268 HydrophobicContact CD1-CG 4.07Å |
| 195 | C | 40.3 | Very low | 42.8 | Very low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 99.8 | 162.6 | -177.2 | 0 | 0 | 0 | 0 | 109 | T180 Q181 F182 L265 | T180-C195 WeakPolarHBondContact CA-O 3.23Å; Q181-C195 PolarHBondContact N-O 2.71Å; F182-C195 HydrophobicContact CB-CB 4.17Å; F182-C195 PolarHBondContact O-N 2.88Å; C195-L265 HydrophobicContact CB-CD2 4.42Å |
| 196 | V | 41.8 | Very low | 42.7 | Very low | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.8 | -174 | -174.9 | 0 | 0 | 0 | 0 | 110 | L176 L194 G198 A263 F264 | L176-V196 HydrophobicContact CD2-CB 3.84Å; L176-V196 HydrophobicContact CD2-CG1 3.39Å; L176-V196 HydrophobicContact CD2-CG2 3.28Å; L194-V196 HydrophobicContact CB-CG2 3.73Å; L194-V196 HydrophobicContact CD2-CG2 4.38Å; V196-G198 PolarHBondContact O-N 3.45Å; V196-A263 CarbonylContact O-C 3.53Å; V196-A263 WeakPolarHBondContact O-CA 3.48Å; V196-F264 HydrophobicContact CB-CB 4.47Å; V196-F264 PolarHBondContact N-O 3.25Å; V196-F264 PolarHBondContact O-N 2.66Å |
| 197 | L | 39.1 | Very low | 43.5 | Very low | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.6 | 171 | -68.7 | 159.3 | 0 | 0 | 0 | 109.2 | T178 L179 Q261 T262 A263 | T178-L197 VanDerWaalsContact CB-CB 3.46Å; T178-L197 HydrophobicContact CG2-CB 3.95Å; T178-L197 WeakPolarHBondContact CG2-O 3.24Å; T178-L197 VanDerWaalsContact OG1-CB 3.31Å; T178-L197 WeakPolarHBondContact OG1-CB 3.23Å; T178-L197 PolarHBondContact OG1-O 3.4Å; L179-L197 HydrophobicContact CB-CD1 3.87Å; L179-L197 VanDerWaalsContact O-CD1 3.23Å; L179-L197 WeakPolarHBondContact O-CD1 3.31Å; L197-Q261 HydrophobicContact CD2-CB 3.72Å; L197-T262 CarbonylContact C-O 3.54Å; L197-T262 VanDerWaalsContact CA-O 3.25Å; L197-T262 WeakPolarHBondContact CA-O 3.34Å; L197-A263 HydrophobicContact CD2-CB 3.95Å |
| 198 | G | 34.7 | Very low | 43.8 | Very low | 14 Ų | 14 | 68.4 Ų | 68.4 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | trans | -79.6 | 177.4 | -165 | 0 | 0 | 0 | 0 | 0 | 115.6 | V196 T262 | V196-G198 PolarHBondContact O-N 3.45Å; G198-T262 VanDerWaalsContact CA-OG1 3.26Å; G198-T262 WeakPolarHBondContact CA-OG1 3.25Å; G198-T262 PolarHBondContact N-O 3.32Å | ||
| 199 | I | 36.9 | Very low | 45.1 | Very low | 95 Ų | 95 | 72.6 Ų | 72.6 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | trans | -121.8 | 161.5 | -173.8 | -58.1 | 159.1 | 0 | 0 | 0 | 109.9 | N177 | N177-I199 HydrophobicContact CB-CD1 3.96Å; N177-I199 HydrophobicContact CB-CG1 3.96Å; N177-I199 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 200 | E | 43 | Very low | 46.2 | Very low | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | trans | -46.8 | 149.1 | 174.5 | -58.8 | 179.6 | 162.2 | 0 | 0 | 113.7 | N202 K215 | E200-N202 PolarHBondContact O-N 2.85Å; E200-K215 IonicContact OE1-NZ 3.41Å; E200-K215 PolarHBondContact OE1-NZ 3.01Å; E200-K215 IonicContact OE2-NZ 3.89Å; E200-K215 PolarHBondContact OE2-NZ 3.4Å; E200-K215 VanDerWaalsContact OE2-NZ 3.07Å | ||
| 201 | W | 42.3 | Very low | 46.2 | Very low | 177 Ų | 177 | 76.5 Ų | 76.5 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | trans | -83.1 | 115.5 | -176.2 | -69.6 | 37.7 | 0 | 0 | 0 | 111.6 | S203 L204 | W201-S203 VanDerWaalsContact C-N 3.29Å; W201-S203 PolarHBondContact O-N 2.88Å; W201-L204 HydrophobicContact CE3-CD1 4.37Å; W201-L204 HydrophobicContact CZ3-CD1 4.46Å | ||
| 202 | N | 47.7 | Very low | 46.5 | Very low | 163 Ų | 163 | 82.5 Ų | 82.5 | 87% | 0.872 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -67.1 | -24.7 | 177 | -70.8 | -37 | 0 | 0 | 0 | 114.2 | E200 | E200-N202 PolarHBondContact O-N 2.85Š|
| 203 | S | 41.3 | Very low | 46.6 | Very low | 47 Ų | 47 | 89.2 Ų | 89.2 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | trans | -152.1 | 143.1 | 172.1 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | W201 I205 | W201-S203 VanDerWaalsContact C-N 3.29Å; W201-S203 PolarHBondContact O-N 2.88Å; S203-I205 PolarHBondContact O-N 2.61Å; S203-I205 PolarHBondContact OG-O 2.86Å | ||
| 204 | L | 47.3 | Very low | 46.8 | Very low | 132 Ų | 132 | 98.4 Ų | 98.4 | 69% | 0.691 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -72.9 | -27.2 | -175.5 | -172.2 | 63.7 | 0 | 0 | 0 | 113.4 | W201 | W201-L204 HydrophobicContact CE3-CD1 4.37Å; W201-L204 HydrophobicContact CZ3-CD1 4.46Å |
| 205 | I | 54.8 | Low | 47.3 | Very low | 94 Ų | 94 | 103 Ų | 103 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -132.2 | 133.2 | 179.1 | -54.3 | 174.8 | 0 | 0 | 0 | 108.4 | S203 T207 D208 | S203-I205 PolarHBondContact O-N 2.61Å; S203-I205 PolarHBondContact OG-O 2.86Å; I205-T207 PolarHBondContact O-N 3.03Å; I205-D208 HydrophobicContact CB-CB 3.93Å; I205-D208 HydrophobicContact CG2-CB 4.41Å; I205-D208 PolarHBondContact O-N 3.19Å; I205-D208 VanDerWaalsContact O-N 3.09Å |
| 206 | P | 44.8 | Very low | 47.7 | Very low | 110 Ų | 110 | 105.4 Ų | 105.4 | 71% | 0.714 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.1 | 172.8 | -25.5 | 35 | 0 | 0 | 0 | 111.7 | D208 | P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3.2Å |
| 207 | T | 60.8 | Low | 48.7 | Very low | 150 Ų | 150 | 110.2 Ų | 110.2 | 92% | 0.92 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | -6.4 | -172.8 | 76.7 | 0 | 0 | 0 | 0 | 117.1 | I205 | I205-T207 PolarHBondContact O-N 3.03Š|
| 208 | D | 53.8 | Low | 50 | Low | 36 Ų | 36 | 117 Ų | 117 | 19% | 0.193 | 58% | 0.577 | C | S | . | * | B | Isolated β-bridge | trans | -96 | 102.1 | 173.4 | -162.3 | -14.6 | 0 | 0 | 0 | 112.3 | I205 P206 R210 | I205-D208 HydrophobicContact CB-CB 3.93Å; I205-D208 HydrophobicContact CG2-CB 4.41Å; I205-D208 PolarHBondContact O-N 3.19Å; I205-D208 VanDerWaalsContact O-N 3.09Å; P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3.2Å; D208-R210 VanDerWaalsContact C-N 3.3Å; D208-R210 PolarHBondContact O-N 3.21Å; D208-R210 VanDerWaalsContact OD1-CB 3.26Å; D208-R210 WeakPolarHBondContact OD1-CB 3.26Å; D208-R210 VanDerWaalsContact OD1-CG 3.26Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.27Å; D208-R210 PolarHBondContact OD1-N 3.38Å; D208-R210 IonicContact OD1-NE 3.71Å; D208-R210 PolarHBondContact OD1-NE 3.26Å; D208-R210 IonicContact OD1-NH2 2.72Å; D208-R210 IonicContact OD2-CZ 2.72Å; D208-R210 IonicContact OD2-NE 3.46Å; D208-R210 PolarHBondContact OD2-NE 3.18Å; D208-R210 IonicContact OD2-NH2 2.6Å; D208-R210 PolarHBondContact OD2-NH2 2.91Å |
| 209 | Q | 61.6 | Low | 51.4 | Low | 189 Ų | 189 | 119.8 Ų | 119.8 | 88% | 0.883 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 4.5 | 178.9 | -64.4 | -177.3 | -11.4 | 0 | 0 | 114 | ||
| 210 | R | 61.4 | Low | 52.5 | Low | 215 Ų | 215 | 118.8 Ų | 118.8 | 81% | 0.811 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -17.1 | -178.5 | -59.8 | 174.3 | -64 | 168.1 | 4 | 113.6 | D208 | D208-R210 VanDerWaalsContact C-N 3.3Å; D208-R210 PolarHBondContact O-N 3.21Å; D208-R210 VanDerWaalsContact OD1-CB 3.26Å; D208-R210 WeakPolarHBondContact OD1-CB 3.26Å; D208-R210 VanDerWaalsContact OD1-CG 3.26Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.27Å; D208-R210 PolarHBondContact OD1-N 3.38Å; D208-R210 IonicContact OD1-NE 3.71Å; D208-R210 PolarHBondContact OD1-NE 3.26Å; D208-R210 IonicContact OD1-NH2 2.72Å; D208-R210 IonicContact OD2-CZ 2.72Å; D208-R210 IonicContact OD2-NE 3.46Å; D208-R210 PolarHBondContact OD2-NE 3.18Å; D208-R210 IonicContact OD2-NH2 2.6Å; D208-R210 PolarHBondContact OD2-NH2 2.91Å |
| 211 | G | 47.1 | Very low | 53.8 | Low | 38 Ų | 38 | 119.6 Ų | 119.6 | 39% | 0.392 | 59% | 0.59 | S | S | . | * | trans | -95.1 | 98.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 212 | E | 48.2 | Very low | 55.2 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | trans | -95.3 | 129.5 | 172.7 | -177.7 | -178 | -159.5 | 0 | 0 | 110.2 | R214 | E212-R214 HydrophobicContact CB-CG 4.44Å; E212-R214 HydrophobicContact CG-CG 4.03Å; E212-R214 PolarHBondContact O-N 2.88Å; E212-R214 IonicContact OE2-CZ 3Å; E212-R214 IonicContact OE2-NE 3.7Å; E212-R214 PolarHBondContact OE2-NE 3.11Å; E212-R214 IonicContact OE2-NH2 3.07Å; E212-R214 PolarHBondContact OE2-NH2 3.22Å | ||
| 213 | Y | 46.7 | Very low | 56.1 | Low | 141 Ų | 141 | 111.6 Ų | 111.6 | 55% | 0.553 | 56% | 0.557 | S | S | * | * | trans | -75.7 | 90.8 | 173.8 | 174.7 | -129.9 | 0 | 0 | 0 | 110.7 | K215 | Y213-K215 HydrophobicContact CE1-CD 4.23Å; Y213-K215 HydrophobicContact CE1-CG 3.89Å; Y213-K215 PolarHBondContact O-N 3.23Å | ||
| 214 | R | 45 | Very low | 57.2 | Low | 193 Ų | 193 | 113.2 Ų | 113.2 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | trans | -86.4 | 105 | 177.1 | -66.4 | -174 | 177.2 | -161.9 | -6.6 | 111.1 | E212 S216 | E212-R214 HydrophobicContact CB-CG 4.44Å; E212-R214 HydrophobicContact CG-CG 4.03Å; E212-R214 PolarHBondContact O-N 2.88Å; E212-R214 IonicContact OE2-CZ 3Å; E212-R214 IonicContact OE2-NE 3.7Å; E212-R214 PolarHBondContact OE2-NE 3.11Å; E212-R214 IonicContact OE2-NH2 3.07Å; E212-R214 PolarHBondContact OE2-NH2 3.22Å; R214-S216 PolarHBondContact O-N 2.62Å | ||
| 215 | K | 54.1 | Low | 58.1 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 44% | 0.435 | 57% | 0.566 | S | S | . | * | trans | -63.3 | 113 | 160.4 | -61.2 | -175.7 | -179.6 | -175.1 | 0 | 107.2 | E200 Y213 L217 L220 | E200-K215 IonicContact OE1-NZ 3.41Å; E200-K215 PolarHBondContact OE1-NZ 3.01Å; E200-K215 IonicContact OE2-NZ 3.89Å; E200-K215 PolarHBondContact OE2-NZ 3.4Å; E200-K215 VanDerWaalsContact OE2-NZ 3.07Å; Y213-K215 HydrophobicContact CE1-CD 4.23Å; Y213-K215 HydrophobicContact CE1-CG 3.89Å; Y213-K215 PolarHBondContact O-N 3.23Å; K215-L217 PolarHBondContact O-N 3.26Å; K215-L220 HydrophobicContact CB-CD1 3.87Å; K215-L220 HydrophobicContact CD-CD1 4.44Å | ||
| 216 | S | 50.3 | Low | 58.8 | Low | 51 Ų | 51 | 115.6 Ų | 115.6 | 36% | 0.357 | 57% | 0.57 | S | S | . | * | trans | -69.1 | 118.6 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | R214 E218 V219 L220 | R214-S216 PolarHBondContact O-N 2.62Å; S216-E218 VanDerWaalsContact C-N 3.28Å; S216-E218 PolarHBondContact O-N 3.01Å; S216-V219 PolarHBondContact O-N 2.97Å; S216-L220 PolarHBondContact O-N 3.49Å | ||
| 217 | L | 61.2 | Low | 59.7 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.2 | -40.8 | 179.3 | -69.5 | 169.4 | 0 | 0 | 0 | 110.6 | K215 V219 L220 E221 | K215-L217 PolarHBondContact O-N 3.26Å; L217-V219 VanDerWaalsContact C-N 3.26Å; L217-V219 PolarHBondContact O-N 2.75Å; L217-L220 CarbonylContact O-C 3.58Å; L217-L220 PolarHBondContact O-N 3.37Å; L217-L220 VanDerWaalsContact O-N 3.1Å; L217-E221 WeakPolarHBondContact O-CB 3.26Å; L217-E221 WeakPolarHBondContact O-CG 3.26Å; L217-E221 PolarHBondContact O-N 3.47Å |
| 218 | E | 66.7 | Low | 59.7 | Low | 151 Ų | 151 | 111.9 Ų | 111.9 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57 | -38.5 | 175.5 | -58.1 | 168.3 | 168.9 | 0 | 0 | 112.2 | S216 E222 | S216-E218 VanDerWaalsContact C-N 3.28Å; S216-E218 PolarHBondContact O-N 3.01Å; E218-E222 WeakPolarHBondContact O-CB 3.44Å; E218-E222 PolarHBondContact O-N 3.36Å |
| 219 | V | 65.1 | Low | 59.8 | Low | 73 Ų | 73 | 117.2 Ų | 117.2 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -80.4 | -31.1 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | S216 L217 I223 | S216-V219 PolarHBondContact O-N 2.97Å; L217-V219 VanDerWaalsContact C-N 3.26Å; L217-V219 PolarHBondContact O-N 2.75Å; V219-I223 HydrophobicContact CG1-CD1 3.9Å; V219-I223 HydrophobicContact CG1-CG1 4.46Å; V219-I223 VanDerWaalsContact O-CB 3.29Å; V219-I223 WeakPolarHBondContact O-CB 3.23Å; V219-I223 WeakPolarHBondContact O-CD1 3.29Å; V219-I223 WeakPolarHBondContact O-CG1 3.49Å; V219-I223 PolarHBondContact O-N 3.03Å |
| 220 | L | 60.1 | Low | 59.3 | Low | 74 Ų | 74 | 115.6 Ų | 115.6 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 170.7 | -76.1 | 178.6 | 0 | 0 | 0 | 111.3 | K215 S216 L217 I223 C224 | K215-L220 HydrophobicContact CB-CD1 3.87Å; K215-L220 HydrophobicContact CD-CD1 4.44Å; S216-L220 PolarHBondContact O-N 3.49Å; L217-L220 CarbonylContact O-C 3.58Å; L217-L220 PolarHBondContact O-N 3.37Å; L217-L220 VanDerWaalsContact O-N 3.1Å; L220-I223 PolarHBondContact O-N 3.49Å; L220-C224 WeakPolarHBondContact O-CB 3.13Å; L220-C224 PolarHBondContact O-N 3.1Å; L220-C224 PolarHBondContact O-SG 2.64Å; L220-C224 VanDerWaalsContact O-SG 3.33Å |
| 221 | E | 69.7 | Low | 58.3 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | 174.5 | -72.2 | 172.3 | 170.5 | 0 | 0 | 110.6 | L217 I223 C224 D225 | L217-E221 WeakPolarHBondContact O-CB 3.26Å; L217-E221 WeakPolarHBondContact O-CG 3.26Å; L217-E221 PolarHBondContact O-N 3.47Å; E221-I223 VanDerWaalsContact C-N 3.29Å; E221-I223 PolarHBondContact O-N 2.84Å; E221-C224 PolarHBondContact O-N 3.36Å; E221-C224 VanDerWaalsContact O-N 3.11Å; E221-D225 PolarHBondContact O-N 2.88Å |
| 222 | E | 71.6 | Confident | 58.1 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 45% | 0.453 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 173.4 | -163.7 | -146.3 | 125.3 | 0 | 0 | 112.3 | E218 R226 | E218-E222 WeakPolarHBondContact O-CB 3.44Å; E218-E222 PolarHBondContact O-N 3.36Å; E222-R226 WeakPolarHBondContact O-CB 3.35Å; E222-R226 WeakPolarHBondContact O-CD 3.46Å; E222-R226 WeakPolarHBondContact O-CG 3.43Å; E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 WeakPolarHBondContact OE1-CD 3.49Å; E222-R226 IonicContact OE1-CZ 2.76Å; E222-R226 IonicContact OE1-NE 2.73Å; E222-R226 IonicContact OE1-NH1 3.26Å; E222-R226 PolarHBondContact OE1-NH1 3.43Å |
| 223 | I | 67.5 | Low | 58.1 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -41.7 | 175.8 | -74.3 | 168.5 | 0 | 0 | 0 | 110.9 | V219 L220 E221 R226 L227 | V219-I223 HydrophobicContact CG1-CD1 3.9Å; V219-I223 HydrophobicContact CG1-CG1 4.46Å; V219-I223 VanDerWaalsContact O-CB 3.29Å; V219-I223 WeakPolarHBondContact O-CB 3.23Å; V219-I223 WeakPolarHBondContact O-CD1 3.29Å; V219-I223 WeakPolarHBondContact O-CG1 3.49Å; V219-I223 PolarHBondContact O-N 3.03Å; L220-I223 PolarHBondContact O-N 3.49Å; E221-I223 VanDerWaalsContact C-N 3.29Å; E221-I223 PolarHBondContact O-N 2.84Å; I223-R226 PolarHBondContact O-N 2.97Å; I223-L227 HydrophobicContact CG2-CD1 3.64Å; I223-L227 HydrophobicContact CG2-CG 4.3Å; I223-L227 VanDerWaalsContact O-CB 3.26Å; I223-L227 WeakPolarHBondContact O-CB 3.46Å; I223-L227 WeakPolarHBondContact O-CG 3.39Å; I223-L227 PolarHBondContact O-N 3.48Å |
| 224 | C | 62.6 | Low | 57.8 | Low | 82 Ų | 82 | 111.4 Ų | 111.4 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -51 | 176.5 | -78.6 | 0 | 0 | 0 | 0 | 111.7 | L220 E221 R226 L227 E228 | L220-C224 WeakPolarHBondContact O-CB 3.13Å; L220-C224 PolarHBondContact O-N 3.1Å; L220-C224 PolarHBondContact O-SG 2.64Å; L220-C224 VanDerWaalsContact O-SG 3.33Å; E221-C224 PolarHBondContact O-N 3.36Å; E221-C224 VanDerWaalsContact O-N 3.11Å; C224-R226 VanDerWaalsContact C-N 3.26Å; C224-R226 PolarHBondContact O-N 3.22Å; C224-L227 CarbonylContact O-C 3.6Å; C224-L227 WeakPolarHBondContact O-CA 3.24Å; C224-L227 PolarHBondContact O-N 2.76Å; C224-E228 PolarHBondContact O-N 2.8Å |
| 225 | D | 68.1 | Low | 57.8 | Low | 123 Ų | 123 | 110.3 Ų | 110.3 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.6 | -41.2 | 176.2 | -73.9 | 7.9 | 0 | 0 | 0 | 111.4 | E221 L227 | E221-D225 PolarHBondContact O-N 2.88Å; D225-L227 VanDerWaalsContact C-N 3.3Å; D225-L227 PolarHBondContact O-N 2.84Å |
| 226 | R | 68.9 | Low | 57.2 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75 | -16 | 177.1 | -71.7 | 174.2 | 57.7 | -164.5 | -9.5 | 114 | E222 I223 C224 Q229 | E222-R226 WeakPolarHBondContact O-CB 3.35Å; E222-R226 WeakPolarHBondContact O-CD 3.46Å; E222-R226 WeakPolarHBondContact O-CG 3.43Å; E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 WeakPolarHBondContact OE1-CD 3.49Å; E222-R226 IonicContact OE1-CZ 2.76Å; E222-R226 IonicContact OE1-NE 2.73Å; E222-R226 IonicContact OE1-NH1 3.26Å; E222-R226 PolarHBondContact OE1-NH1 3.43Å; I223-R226 PolarHBondContact O-N 2.97Å; C224-R226 VanDerWaalsContact C-N 3.26Å; C224-R226 PolarHBondContact O-N 3.22Å; R226-Q229 PolarHBondContact O-NE2 3.17Å |
| 227 | L | 63.1 | Low | 56.4 | Low | 82 Ų | 82 | 113.3 Ų | 113.3 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -101 | -19.2 | 176.1 | -72.2 | 177.2 | 0 | 0 | 0 | 113.4 | I223 C224 D225 Q229 F230 T231 | I223-L227 HydrophobicContact CG2-CD1 3.64Å; I223-L227 HydrophobicContact CG2-CG 4.3Å; I223-L227 VanDerWaalsContact O-CB 3.26Å; I223-L227 WeakPolarHBondContact O-CB 3.46Å; I223-L227 WeakPolarHBondContact O-CG 3.39Å; I223-L227 PolarHBondContact O-N 3.48Å; C224-L227 CarbonylContact O-C 3.6Å; C224-L227 WeakPolarHBondContact O-CA 3.24Å; C224-L227 PolarHBondContact O-N 2.76Å; D225-L227 VanDerWaalsContact C-N 3.3Å; D225-L227 PolarHBondContact O-N 2.84Å; L227-Q229 PolarHBondContact O-N 3.27Å; L227-F230 HydrophobicContact CD2-CD2 4.13Å; L227-F230 CarbonylContact O-C 3.49Å; L227-F230 WeakPolarHBondContact O-CA 3.49Å; L227-F230 WeakPolarHBondContact O-CB 3.42Å; L227-F230 PolarHBondContact O-N 2.85Å; L227-T231 PolarHBondContact O-N 2.77Å; L227-T231 PolarHBondContact O-OG1 2.75Å |
| 228 | E | 61 | Low | 55.3 | Low | 100 Ų | 100 | 112.2 Ų | 112.2 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.6 | -33.3 | -179.7 | -172.7 | 171.2 | -135.3 | 0 | 0 | 112.1 | C224 F230 T231 S232 S233 | C224-E228 PolarHBondContact O-N 2.8Å; E228-F230 PolarHBondContact O-N 2.88Å; E228-F230 VanDerWaalsContact O-N 3.11Å; E228-T231 CarbonylContact O-C 3.54Å; E228-T231 VanDerWaalsContact O-C 3.23Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 VanDerWaalsContact O-N 3.11Å; E228-S232 PolarHBondContact O-N 3.01Å; E228-S233 PolarHBondContact OE1-OG 3.06Å |
| 229 | Q | 55.6 | Low | 53.8 | Low | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -17.3 | 171 | 70.9 | -175 | -38.1 | 0 | 0 | 114.7 | R226 L227 | R226-Q229 PolarHBondContact O-NE2 3.17Å; L227-Q229 PolarHBondContact O-N 3.27Å |
| 230 | F | 52.1 | Low | 52.7 | Low | 154 Ų | 154 | 118.1 Ų | 118.1 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -16.8 | 174.5 | -56.2 | -67 | 0 | 0 | 0 | 112.9 | L227 E228 | L227-F230 HydrophobicContact CD2-CD2 4.13Å; L227-F230 CarbonylContact O-C 3.49Å; L227-F230 WeakPolarHBondContact O-CA 3.49Å; L227-F230 WeakPolarHBondContact O-CB 3.42Å; L227-F230 PolarHBondContact O-N 2.85Å; E228-F230 PolarHBondContact O-N 2.88Å; E228-F230 VanDerWaalsContact O-N 3.11Å |
| 231 | T | 39.8 | Very low | 51.9 | Low | 95 Ų | 95 | 123.2 Ų | 123.2 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -134.7 | 82.8 | -178.6 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | L227 E228 S233 | L227-T231 PolarHBondContact O-N 2.77Å; L227-T231 PolarHBondContact O-OG1 2.75Å; E228-T231 CarbonylContact O-C 3.54Å; E228-T231 VanDerWaalsContact O-C 3.23Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 VanDerWaalsContact O-N 3.11Å; T231-S233 PolarHBondContact O-N 2.9Å |
| 232 | S | 42.2 | Very low | 50.6 | Low | 80 Ų | 80 | 123.7 Ų | 123.7 | 56% | 0.559 | 65% | 0.647 | S | S | * | * | trans | -65.1 | 132.2 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | E228 E234 | E228-S232 PolarHBondContact O-N 3.01Å; S232-E234 PolarHBondContact OG-O 3.12Å | ||
| 233 | S | 49.7 | Very low | 49.2 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -70.9 | -22.9 | 169.1 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | E228 T231 | E228-S233 PolarHBondContact OE1-OG 3.06Å; T231-S233 PolarHBondContact O-N 2.9Å |
| 234 | E | 39.7 | Very low | 47.8 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -79.4 | 124.2 | 167.9 | -60 | -166.6 | 152.1 | 0 | 0 | 111.4 | S232 V236 | S232-E234 PolarHBondContact OG-O 3.12Å; E234-V236 PolarHBondContact O-N 3.43Å |
| 235 | E | 44.2 | Very low | 46.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -64.7 | 124.8 | 157.9 | -73 | -173 | 135.6 | 0 | 0 | 108.5 | A237 | E235-A237 PolarHBondContact O-N 3.05Š| ||
| 236 | V | 41.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | trans | -73.4 | 78.1 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 110 | E234 T238 | E234-V236 PolarHBondContact O-N 3.43Å; V236-T238 PolarHBondContact O-N 2.82Å | ||
| 237 | A | 35.3 | Very low | 44.6 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -78.4 | 51.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E235 | E235-A237 PolarHBondContact O-N 3.05Š| ||
| 238 | T | 36.4 | Very low | 43.8 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -102.9 | 68.9 | 177.1 | 42.5 | 0 | 0 | 0 | 0 | 113.3 | V236 | V236-T238 PolarHBondContact O-N 2.82Š|
| 239 | K | 35.9 | Very low | 43.3 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | trans | 77 | 146.7 | 168.7 | -52.5 | 172.1 | -177.5 | 173.2 | 0 | 116.1 | E241 | K239-E241 VanDerWaalsContact C-N 3.31Å; K239-E241 PolarHBondContact O-N 3.43Å | ||
| 240 | M | 42 | Very low | 43.1 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 83% | 0.828 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -75.5 | -8.8 | -171 | -73.6 | -177.1 | 166 | 0 | 0 | 115.5 | ||
| 241 | E | 44.3 | Very low | 43 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -78.9 | -22.3 | -171.4 | -67.9 | 174.5 | -174 | 0 | 0 | 112.9 | K239 Y243 | K239-E241 VanDerWaalsContact C-N 3.31Å; K239-E241 PolarHBondContact O-N 3.43Å; E241-Y243 VanDerWaalsContact C-N 3.33Å; E241-Y243 PolarHBondContact O-N 2.77Å |
| 242 | D | 41.1 | Very low | 43.7 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -88.3 | 12.7 | -178 | -66.4 | -41.8 | 0 | 0 | 0 | 114.3 | Q244 | D242-Q244 PolarHBondContact O-N 2.83Š|
| 243 | Y | 41.8 | Very low | 43.9 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | trans | -72.3 | 37.9 | 177.3 | -94.2 | -78.1 | 0 | 0 | 0 | 114.5 | E241 Q245 | E241-Y243 VanDerWaalsContact C-N 3.33Å; E241-Y243 PolarHBondContact O-N 2.77Å; Y243-Q245 VanDerWaalsContact C-N 3.26Å; Y243-Q245 PolarHBondContact O-N 3.26Å | ||
| 244 | Q | 38.4 | Very low | 44 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -75.2 | 79 | 166.8 | -68.9 | -162.2 | 5.4 | 0 | 0 | 110.7 | D242 | D242-Q244 PolarHBondContact O-N 2.83Š|
| 245 | Q | 41.5 | Very low | 44.4 | Very low | 124 Ų | 124 | 125 Ų | 125 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | trans | 51.2 | 98.5 | 170 | -63.7 | -179.6 | -14.3 | 0 | 0 | 115.1 | Y243 F247 | Y243-Q245 VanDerWaalsContact C-N 3.26Å; Y243-Q245 PolarHBondContact O-N 3.26Å; Q245-F247 CarbonylContact O-C 3.19Å; Q245-F247 PolarHBondContact O-N 3.08Å | ||
| 246 | A | 47.1 | Very low | 44.3 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -55.9 | -13.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 247 | F | 45 | Very low | 44.8 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -135 | 123.9 | 164.5 | -61.1 | -82.5 | 0 | 0 | 0 | 109 | W25 Q245 T249 | W25-F247 HydrophobicContact CE3-CE2 4.11Å; Q245-F247 CarbonylContact O-C 3.19Å; Q245-F247 PolarHBondContact O-N 3.08Å; F247-T249 PolarHBondContact O-N 2.96Å |
| 248 | N | 46.5 | Very low | 45.3 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 29% | 0.294 | 59% | 0.593 | S | S | . | * | trans | -75 | 115.3 | 164.6 | -177.7 | -1.6 | 0 | 0 | 0 | 108.6 | E250 Q251 | N248-E250 PolarHBondContact ND2-OE2 2.93Å; N248-E250 PolarHBondContact O-N 2.91Å; N248-E250 VanDerWaalsContact O-N 3.13Å; N248-E250 WeakPolarHBondContact OD1-CB 2.91Å; N248-E250 WeakPolarHBondContact OD1-CG 3.35Å; N248-E250 PolarHBondContact OD1-N 2.87Å; N248-Q251 HydrophobicContact CB-CG 4.12Å; N248-Q251 PolarHBondContact O-N 3.3Å | ||
| 249 | T | 48.9 | Very low | 45.8 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -63.6 | -15.3 | 178 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | A30 F247 Q251 | A30-T249 HydrophobicContact CB-CG2 4.2Å; F247-T249 PolarHBondContact O-N 2.96Å; T249-Q251 VanDerWaalsContact C-N 3.3Å |
| 250 | E | 51.5 | Low | 46.4 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -78.4 | -9.9 | 174 | -56 | 178.6 | 145.8 | 0 | 0 | 113.6 | N248 | N248-E250 PolarHBondContact ND2-OE2 2.93Å; N248-E250 PolarHBondContact O-N 2.91Å; N248-E250 VanDerWaalsContact O-N 3.13Å; N248-E250 WeakPolarHBondContact OD1-CB 2.91Å; N248-E250 WeakPolarHBondContact OD1-CG 3.35Å; N248-E250 PolarHBondContact OD1-N 2.87Å |
| 251 | Q | 50 | Low | 47.2 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -103.5 | -1.8 | -176.1 | -69.2 | -177 | -30.8 | 0 | 0 | 114.6 | N248 T249 | N248-Q251 HydrophobicContact CB-CG 4.12Å; N248-Q251 PolarHBondContact O-N 3.3Å; T249-Q251 VanDerWaalsContact C-N 3.3Å |
| 252 | L | 54.7 | Low | 48 | Very low | 65 Ų | 65 | 104.9 Ų | 104.9 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | trans | -90.7 | 120.9 | -179.5 | -70.3 | 163.8 | 0 | 0 | 0 | 110.4 | F27 A30 | F27-L252 HydrophobicContact CD2-CD1 3.96Å; F27-L252 HydrophobicContact CD2-CD2 4.01Å; F27-L252 HydrophobicContact CD2-CG 4.39Å; F27-L252 HydrophobicContact CE2-CB 4.2Å; F27-L252 HydrophobicContact CE2-CD1 4.41Å; F27-L252 HydrophobicContact CE2-CD2 4.36Å; A30-L252 HydrophobicContact CB-CD1 4.45Å | ||
| 253 | E | 47.1 | Very low | 49.3 | Very low | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | trans | -101.4 | 160.4 | -177.8 | -70.7 | -163.1 | -172.7 | 0 | 0 | 112.2 | C255 D256 | E253-C255 WeakPolarHBondContact CB-SG 3.43Å; E253-C255 PolarHBondContact O-N 2.82Å; E253-D256 PolarHBondContact N-OD2 3.26Å; E253-D256 WeakPolarHBondContact O-CB 3.3Å; E253-D256 PolarHBondContact O-N 2.78Å; E253-D256 VanDerWaalsContact O-N 3.11Å | ||
| 254 | E | 52.1 | Low | 50.8 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 33% | 0.332 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -69.3 | -15.6 | 179.3 | -164.7 | 164.6 | -92.3 | 0 | 0 | 112.4 | R35 D256 V257 Q331 R337 | R35-E254 IonicContact NH2-OE1 3.14Å; R35-E254 PolarHBondContact NH2-OE1 2.88Å; E254-D256 VanDerWaalsContact C-N 3.29Å; E254-V257 WeakPolarHBondContact O-CB 3.43Å; E254-V257 PolarHBondContact O-N 2.93Å; E254-Q331 PolarHBondContact OE1-NE2 3.47Å; E254-Q331 PolarHBondContact OE2-NE2 2.85Å; E254-R337 IonicContact OE1-NE 2.88Å; E254-R337 IonicContact OE1-NH2 3.63Å; E254-R337 PolarHBondContact OE1-NH2 2.84Å; E254-R337 IonicContact OE2-CZ 2.66Å; E254-R337 IonicContact OE2-NH2 2.9Å; E254-R337 PolarHBondContact OE2-NH2 2.8Å |
| 255 | C | 48.3 | Very low | 52.6 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 66% | 0.655 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -75 | -13.8 | 172.2 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | E253 V257 | E253-C255 WeakPolarHBondContact CB-SG 3.43Å; E253-C255 PolarHBondContact O-N 2.82Å; C255-V257 PolarHBondContact O-N 3.24Å |
| 256 | D | 41.5 | Very low | 54.2 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -72.2 | -12.5 | 168.4 | -59.7 | -42.7 | 0 | 0 | 0 | 111.7 | E253 E254 | E253-D256 PolarHBondContact N-OD2 3.26Å; E253-D256 WeakPolarHBondContact O-CB 3.3Å; E253-D256 PolarHBondContact O-N 2.78Å; E253-D256 VanDerWaalsContact O-N 3.11Å; E254-D256 VanDerWaalsContact C-N 3.29Å |
| 257 | V | 52.1 | Low | 55.4 | Low | 42 Ų | 42 | 75.3 Ų | 75.3 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -87.8 | 122.9 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | F27 E254 C255 E259 | F27-V257 HydrophobicContact CE1-CG2 3.78Å; F27-V257 HydrophobicContact CZ-CG2 3.58Å; E254-V257 WeakPolarHBondContact O-CB 3.43Å; E254-V257 PolarHBondContact O-N 2.93Å; C255-V257 PolarHBondContact O-N 3.24Å; V257-E259 PolarHBondContact O-N 2.84Å |
| 258 | P | 46 | Very low | 56.6 | Low | 70 Ų | 70 | 69.8 Ų | 69.8 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | trans | -64.4 | 105.6 | 172.8 | -20.6 | 32.3 | 0 | 0 | 0 | 111.1 | S260 Q261 | P258-S260 PolarHBondContact O-N 2.86Å; P258-Q261 HydrophobicContact CB-CG 4.28Å; P258-Q261 WeakPolarHBondContact O-CG 3.17Å; P258-Q261 PolarHBondContact O-N 3.1Å | ||
| 259 | E | 47.1 | Very low | 57.5 | Low | 161 Ų | 161 | 68.9 Ų | 68.9 | 75% | 0.752 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.5 | 177.8 | -61.6 | -171 | 130.2 | 0 | 0 | 113.3 | V257 | V257-E259 PolarHBondContact O-N 2.84Š|
| 260 | S | 47.6 | Very low | 58 | Low | 105 Ų | 105 | 65.1 Ų | 65.1 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.3 | -175.4 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | P258 T262 | P258-S260 PolarHBondContact O-N 2.86Å; S260-T262 PolarHBondContact O-N 3.11Å |
| 261 | Q | 59.1 | Low | 58.5 | Low | 79 Ų | 79 | 61.9 Ų | 61.9 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -61 | 120.7 | 173.7 | -71.4 | 173.7 | 4.2 | 0 | 0 | 109.8 | L197 P258 | L197-Q261 HydrophobicContact CD2-CB 3.72Å; P258-Q261 HydrophobicContact CB-CG 4.28Å; P258-Q261 WeakPolarHBondContact O-CG 3.17Å; P258-Q261 PolarHBondContact O-N 3.1Å | ||
| 262 | T | 60 | Low | 59.1 | Low | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | trans | -56.3 | 151.6 | 168.5 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | L197 G198 S260 | L197-T262 CarbonylContact C-O 3.54Å; L197-T262 VanDerWaalsContact CA-O 3.25Å; L197-T262 WeakPolarHBondContact CA-O 3.34Å; G198-T262 VanDerWaalsContact CA-OG1 3.26Å; G198-T262 WeakPolarHBondContact CA-OG1 3.25Å; G198-T262 PolarHBondContact N-O 3.32Å; S260-T262 PolarHBondContact O-N 3.11Å | ||
| 263 | A | 69.9 | Low | 59.3 | Low | 7 Ų | 7 | 56.3 Ų | 56.3 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 133.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | V196 L197 D280 I281 | V196-A263 CarbonylContact O-C 3.53Å; V196-A263 WeakPolarHBondContact O-CA 3.48Å; L197-A263 HydrophobicContact CD2-CB 3.95Å; A263-D280 VanDerWaalsContact O-OD1 3.11Å; A263-I281 HydrophobicContact CB-CD1 4.18Å; A263-I281 HydrophobicContact CB-CG1 3.8Å; A263-I281 WeakPolarHBondContact O-CG1 3.16Å; A263-I281 PolarHBondContact O-N 2.79Å |
| 264 | F | 72.6 | Confident | 60.1 | Low | 53 Ų | 53 | 54.7 Ų | 54.7 | 23% | 0.232 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.3 | -171.5 | -66.5 | -67 | 0 | 0 | 0 | 111.2 | L194 V196 T266 Q278 A279 D280 | L194-F264 VanDerWaalsContact O-O 3.13Å; V196-F264 HydrophobicContact CB-CB 4.47Å; V196-F264 PolarHBondContact N-O 3.25Å; V196-F264 PolarHBondContact O-N 2.66Å; F264-T266 PolarHBondContact O-N 2.92Å; F264-T266 PolarHBondContact O-OG1 2.76Å; F264-Q278 HydrophobicContact CB-CG 3.9Å; F264-Q278 HydrophobicContact CD1-CG 3.95Å; F264-Q278 HydrophobicContact CG-CG 4.21Å; F264-A279 CarbonylContact C-O 3.58Å; F264-A279 WeakPolarHBondContact CA-O 3.38Å; F264-D280 HydrophobicContact CD1-CB 4.1Å; F264-D280 HydrophobicContact CE1-CB 3.84Å |
| 265 | L | 76.7 | Confident | 61.1 | Low | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 101.1 | 163.2 | -79.3 | -179.5 | 0 | 0 | 0 | 108.8 | L194 C195 Q278 A279 I281 F300 W318 | L194-L265 CarbonylContact O-C 3.49Å; L194-L265 WeakPolarHBondContact O-CA 3.14Å; C195-L265 HydrophobicContact CB-CD2 4.42Å; L265-Q278 CarbonylContact O-C 3.48Å; L265-Q278 WeakPolarHBondContact O-CA 3.37Å; L265-A279 HydrophobicContact CB-CB 4.27Å; L265-A279 PolarHBondContact N-O 2.89Å; L265-A279 PolarHBondContact O-N 2.87Å; L265-I281 HydrophobicContact CD1-CD1 4.3Å; L265-I281 HydrophobicContact CD1-CG2 3.45Å; L265-I281 VanDerWaalsContact CD1-CG2 3.45Å; L265-I281 HydrophobicContact CD2-CD1 4.24Å; L265-I281 HydrophobicContact CG-CD1 3.83Å; L265-I281 HydrophobicContact CG-CG1 4.05Å; L265-I281 HydrophobicContact CG-CG2 3.85Å; L265-F300 HydrophobicContact CD1-CE2 3.63Å; L265-F300 HydrophobicContact CD1-CZ 3.54Å; L265-F300 HydrophobicContact CD2-CD2 4.42Å; L265-F300 HydrophobicContact CD2-CE2 4.05Å; L265-F300 HydrophobicContact CD2-CZ 4.12Å; L265-F300 HydrophobicContact CG-CE2 4.47Å; L265-W318 HydrophobicContact CB-CH2 3.53Å; L265-W318 HydrophobicContact CB-CZ2 4.06Å; L265-W318 HydrophobicContact CB-CZ3 4.02Å; L265-W318 HydrophobicContact CD1-CE3 4.03Å; L265-W318 HydrophobicContact CD1-CH2 4.03Å; L265-W318 HydrophobicContact CD1-CZ3 3.62Å; L265-W318 HydrophobicContact CD2-CH2 4.07Å; L265-W318 HydrophobicContact CD2-CZ3 3.9Å; L265-W318 HydrophobicContact CG-CH2 4.08Å; L265-W318 HydrophobicContact CG-CZ3 4.06Å |
| 266 | T | 74.2 | Confident | 62.3 | Low | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.7 | -171.9 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | L193 L194 F264 L268 I275 Q278 | L193-T266 CarbonylContact C-O 3.55Å; L193-T266 WeakPolarHBondContact CA-O 3.39Å; L194-T266 PolarHBondContact N-O 2.96Å; L194-T266 PolarHBondContact O-N 2.79Å; F264-T266 PolarHBondContact O-N 2.92Å; F264-T266 PolarHBondContact O-OG1 2.76Å; T266-L268 HydrophobicContact CG2-CD2 3.81Å; T266-L268 HydrophobicContact CG2-CG 4.46Å; T266-I275 HydrophobicContact CG2-CD1 4.29Å; T266-I275 HydrophobicContact CG2-CG1 4.03Å; T266-I275 HydrophobicContact CG2-CG2 3.98Å; T266-Q278 PolarHBondContact OG1-NE2 3.27Å |
| 267 | W | 73.4 | Confident | 64 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.9 | 174.2 | -172.8 | -54.3 | 0 | 0 | 0 | 109.2 | V186 N191 Y192 L193 I275 L276 R277 V313 H316 | V186-W267 HydrophobicContact CB-CH2 4.29Å; V186-W267 HydrophobicContact CB-CZ2 4.25Å; V186-W267 HydrophobicContact CG1-CH2 3.33Å; V186-W267 HydrophobicContact CG1-CZ2 3.65Å; V186-W267 HydrophobicContact CG1-CZ3 4.01Å; N191-W267 HydrophobicContact CB-CZ2 3.86Å; N191-W267 VanDerWaalsContact CB-NE1 3.3Å; N191-W267 PolarHBondContact OD1-NE1 2.73Å; Y192-W267 CarbonylContact O-C 3.51Å; Y192-W267 VanDerWaalsContact O-CA 3.27Å; Y192-W267 WeakPolarHBondContact O-CA 3.37Å; L193-W267 HydrophobicContact CD1-CB 4.41Å; L193-W267 HydrophobicContact CD1-CD2 4.37Å; L193-W267 HydrophobicContact CD1-CE3 3.87Å; W267-I275 CarbonylContact O-C 3.58Å; W267-L276 PolarHBondContact O-N 2.73Å; W267-R277 HydrophobicContact CB-CB 3.94Å; W267-R277 PolarHBondContact N-O 3.46Å; W267-R277 PolarHBondContact O-N 3.46Å; W267-V313 HydrophobicContact CE3-CG1 3.92Å; W267-V313 HydrophobicContact CH2-CG1 4.04Å; W267-V313 HydrophobicContact CZ3-CG1 3.26Å; W267-H316 AromaticContact CD1-ND1 3.96Å; W267-H316 AromaticContact CD2-ND1 3.91Å; W267-H316 AromaticContact CE2-CE1 3.62Å; W267-H316 AromaticContact CE2-ND1 3.2Å; W267-H316 HydrophobicContact CH2-CB 4.42Å; W267-H316 HydrophobicContact CZ2-CB 4.47Å; W267-H316 AromaticContact CZ2-CE1 3.63Å; W267-H316 AromaticContact CZ2-CG 3.89Å; W267-H316 AromaticContact CZ2-ND1 3.36Å; W267-H316 WeakPolarHBondContact CZ2-ND1 3.42Å; W267-H316 AromaticContact NE1-CE1 3.36Å; W267-H316 PolarHBondContact NE1-CE1 3.41Å; W267-H316 AromaticContact NE1-ND1 3.2Å; W267-H316 PolarHBondContact NE1-ND1 2.67Å; W267-H316 VanDerWaalsContact NE1-ND1 3.2Å |
| 268 | L | 69.3 | Low | 65.3 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 148.2 | 179.5 | -53.4 | 178.2 | 0 | 0 | 0 | 112.2 | L174 N191 Y192 L194 T266 D274 I275 | L174-L268 HydrophobicContact CD1-CD1 3.47Å; L174-L268 VanDerWaalsContact CD1-CD1 3.47Å; L174-L268 HydrophobicContact CD2-CD1 3.71Å; L174-L268 HydrophobicContact CG-CD1 4.21Å; N191-L268 VanDerWaalsContact CA-O 3.32Å; N191-L268 WeakPolarHBondContact CA-O 3.22Å; N191-L268 PolarHBondContact OD1-O 3.19Å; Y192-L268 HydrophobicContact CD2-CB 4.23Å; Y192-L268 HydrophobicContact CD2-CD1 4.44Å; Y192-L268 PolarHBondContact N-O 2.83Å; Y192-L268 PolarHBondContact O-N 3.42Å; L194-L268 HydrophobicContact CD1-CD1 3.62Å; L194-L268 HydrophobicContact CD1-CG 4.07Å; T266-L268 HydrophobicContact CG2-CD2 3.81Å; T266-L268 HydrophobicContact CG2-CG 4.46Å; L268-D274 WeakPolarHBondContact CA-O 3.41Å; L268-I275 HydrophobicContact CD2-CB 4.37Å; L268-I275 HydrophobicContact CD2-CG1 3.67Å |
| 269 | D | 64.9 | Low | 66.9 | Low | 37 Ų | 37 | 58.8 Ų | 58.8 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.3 | 158 | -174.5 | -81.6 | 0 | 0 | 0 | 109.7 | N271 S272 H273 D274 L276 | D269-N271 VanDerWaalsContact C-N 3.33Å; D269-N271 PolarHBondContact O-N 3.38Å; D269-N271 VanDerWaalsContact OD1-CA 3.3Å; D269-N271 WeakPolarHBondContact OD1-CA 3.23Å; D269-N271 VanDerWaalsContact OD1-CB 3.27Å; D269-N271 WeakPolarHBondContact OD1-CB 3.22Å; D269-N271 PolarHBondContact OD1-N 3.01Å; D269-N271 PolarHBondContact OD1-ND2 3.45Å; D269-S272 PolarHBondContact OD1-N 3.3Å; D269-H273 WeakPolarHBondContact O-CA 3.38Å; D269-H273 PolarHBondContact O-N 2.87Å; D269-D274 PolarHBondContact N-O 3.42Å; D269-L276 HydrophobicContact CB-CD1 3.85Å; D269-L276 HydrophobicContact CB-CD2 4.2Å; D269-L276 HydrophobicContact CB-CG 3.96Å |
| 270 | G | 60.5 | Low | 68.4 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 13.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R190 Y192 | R190-G270 WeakPolarHBondContact O-CA 3.22Å; R190-G270 PolarHBondContact O-N 2.75Å; Y192-G270 WeakPolarHBondContact OH-CA 3.41Å; Y192-G270 PolarHBondContact OH-O 3.14Å |
| 271 | N | 60.6 | Low | 69.9 | Low | 81 Ų | 81 | 51.5 Ų | 51.5 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -43.9 | 172.1 | -48.7 | -84.1 | 0 | 0 | 0 | 110.3 | R190 D269 | R190-N271 WeakPolarHBondContact CD-OD1 3.34Å; R190-N271 PolarHBondContact NH1-OD1 3.49Å; D269-N271 VanDerWaalsContact C-N 3.33Å; D269-N271 PolarHBondContact O-N 3.38Å; D269-N271 VanDerWaalsContact OD1-CA 3.3Å; D269-N271 WeakPolarHBondContact OD1-CA 3.23Å; D269-N271 VanDerWaalsContact OD1-CB 3.27Å; D269-N271 WeakPolarHBondContact OD1-CB 3.22Å; D269-N271 PolarHBondContact OD1-N 3.01Å; D269-N271 PolarHBondContact OD1-ND2 3.45Å |
| 272 | S | 62.7 | Low | 70.7 | Confident | 63 Ų | 63 | 49 Ų | 49 | 44% | 0.441 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -20.5 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 114.9 | D269 D274 | D269-S272 PolarHBondContact OD1-N 3.3Å; S272-D274 WeakPolarHBondContact CB-OD2 3.25Å; S272-D274 PolarHBondContact O-N 2.97Å; S272-D274 WeakPolarHBondContact OG-CB 3.38Å; S272-D274 VanDerWaalsContact OG-CG 3.26Å; S272-D274 PolarHBondContact OG-N 2.87Å; S272-D274 PolarHBondContact OG-OD2 2.88Å |
| 273 | H | 59.3 | Low | 71.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | trans | 64.5 | 15.5 | -170.6 | -73.7 | -112.3 | 0 | 0 | 0 | 115.2 | F171 Y192 D269 | F171-H273 WeakPolarHBondContact CB-CE1 3.34Å; F171-H273 WeakPolarHBondContact CB-NE2 3.46Å; F171-H273 AromaticContact CD1-CD2 3.42Å; F171-H273 VanDerWaalsContact CD1-CD2 3.42Å; F171-H273 WeakPolarHBondContact CD1-CD2 3.1Å; F171-H273 AromaticContact CD1-NE2 3.25Å; F171-H273 VanDerWaalsContact CD1-NE2 3.25Å; F171-H273 WeakPolarHBondContact CD1-NE2 3.41Å; F171-H273 AromaticContact CD2-CE1 3.91Å; F171-H273 AromaticContact CD2-NE2 3.34Å; F171-H273 VanDerWaalsContact CD2-NE2 3.34Å; F171-H273 WeakPolarHBondContact CD2-NE2 3.41Å; F171-H273 AromaticContact CE1-CD2 3.76Å; F171-H273 AromaticContact CE1-NE2 3.64Å; F171-H273 AromaticContact CE2-NE2 3.72Å; F171-H273 AromaticContact CG-CD2 3.71Å; F171-H273 AromaticContact CG-CE1 3.57Å; F171-H273 AromaticContact CG-NE2 3.04Å; F171-H273 WeakPolarHBondContact CG-NE2 3.32Å; F171-H273 AromaticContact CZ-NE2 3.83Å; Y192-H273 AromaticContact CE2-CE1 3.65Å; Y192-H273 AromaticContact CE2-NE2 3.6Å; D269-H273 WeakPolarHBondContact O-CA 3.38Å; D269-H273 PolarHBondContact O-N 2.87Å | ||
| 274 | D | 64.1 | Low | 72.3 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | trans | -64.4 | 141.1 | 170.3 | -67.6 | -56.2 | 0 | 0 | 0 | 111.3 | L268 D269 S272 L276 | L268-D274 WeakPolarHBondContact CA-O 3.41Å; D269-D274 PolarHBondContact N-O 3.42Å; S272-D274 WeakPolarHBondContact CB-OD2 3.25Å; S272-D274 PolarHBondContact O-N 2.97Å; S272-D274 WeakPolarHBondContact OG-CB 3.38Å; S272-D274 VanDerWaalsContact OG-CG 3.26Å; S272-D274 PolarHBondContact OG-N 2.87Å; S272-D274 PolarHBondContact OG-OD2 2.88Å; D274-L276 PolarHBondContact O-N 2.99Å | ||
| 275 | I | 72.6 | Confident | 72.6 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 52% | 0.518 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 97.4 | 171 | -61.7 | 173.7 | 0 | 0 | 0 | 108.3 | T266 W267 L268 R277 Q278 | T266-I275 HydrophobicContact CG2-CD1 4.29Å; T266-I275 HydrophobicContact CG2-CG1 4.03Å; T266-I275 HydrophobicContact CG2-CG2 3.98Å; W267-I275 CarbonylContact O-C 3.58Å; L268-I275 HydrophobicContact CD2-CB 4.37Å; L268-I275 HydrophobicContact CD2-CG1 3.67Å; I275-R277 WeakPolarHBondContact CG2-O 3.3Å; I275-Q278 HydrophobicContact CG2-CB 3.97Å |
| 276 | L | 75.1 | Confident | 72.9 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -35.8 | 176.9 | -64.6 | 180 | 0 | 0 | 0 | 111.9 | N191 W267 D269 D274 | N191-L276 WeakPolarHBondContact OD1-CD1 3.42Å; W267-L276 PolarHBondContact O-N 2.73Å; D269-L276 HydrophobicContact CB-CD1 3.85Å; D269-L276 HydrophobicContact CB-CD2 4.2Å; D269-L276 HydrophobicContact CB-CG 3.96Å; D274-L276 PolarHBondContact O-N 2.99Å |
| 277 | R | 76.5 | Confident | 73.4 | Confident | 152 Ų | 152 | 56.3 Ų | 56.3 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.7 | 171.8 | -59.6 | -67.6 | 178 | 171.3 | 0.6 | 110.1 | W267 I275 | W267-R277 HydrophobicContact CB-CB 3.94Å; W267-R277 PolarHBondContact N-O 3.46Å; W267-R277 PolarHBondContact O-N 3.46Å; I275-R277 WeakPolarHBondContact CG2-O 3.3Å |
| 278 | Q | 79.5 | Confident | 74 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.4 | 163.3 | -170.2 | 169.2 | 67.1 | 0 | 0 | 109 | F264 L265 T266 I275 | F264-Q278 HydrophobicContact CB-CG 3.9Å; F264-Q278 HydrophobicContact CD1-CG 3.95Å; F264-Q278 HydrophobicContact CG-CG 4.21Å; L265-Q278 CarbonylContact O-C 3.48Å; L265-Q278 WeakPolarHBondContact O-CA 3.37Å; T266-Q278 PolarHBondContact OG1-NE2 3.27Å; I275-Q278 HydrophobicContact CG2-CB 3.97Å |
| 279 | A | 79.1 | Confident | 74.9 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F264 L265 | F264-A279 CarbonylContact C-O 3.58Å; F264-A279 WeakPolarHBondContact CA-O 3.38Å; L265-A279 HydrophobicContact CB-CB 4.27Å; L265-A279 PolarHBondContact N-O 2.89Å; L265-A279 PolarHBondContact O-N 2.87Å |
| 280 | D | 79.4 | Confident | 76 | Confident | 97 Ų | 97 | 58 Ų | 58 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.6 | 172 | -166.7 | -0.3 | 0 | 0 | 0 | 109.7 | A263 F264 G282 | A263-D280 VanDerWaalsContact O-OD1 3.11Å; F264-D280 HydrophobicContact CD1-CB 4.1Å; F264-D280 HydrophobicContact CE1-CB 3.84Å; D280-G282 PolarHBondContact OD1-N 2.58Å |
| 281 | I | 78.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | trans | -126 | 17.9 | 173.3 | 58.2 | 156.1 | 0 | 0 | 0 | 111.5 | A263 L265 G283 Y284 L302 | A263-I281 HydrophobicContact CB-CD1 4.18Å; A263-I281 HydrophobicContact CB-CG1 3.8Å; A263-I281 WeakPolarHBondContact O-CG1 3.16Å; A263-I281 PolarHBondContact O-N 2.79Å; L265-I281 HydrophobicContact CD1-CD1 4.3Å; L265-I281 HydrophobicContact CD1-CG2 3.45Å; L265-I281 VanDerWaalsContact CD1-CG2 3.45Å; L265-I281 HydrophobicContact CD2-CD1 4.24Å; L265-I281 HydrophobicContact CG-CD1 3.83Å; L265-I281 HydrophobicContact CG-CG1 4.05Å; L265-I281 HydrophobicContact CG-CG2 3.85Å; I281-G283 PolarHBondContact O-N 3.27Å; I281-Y284 WeakPolarHBondContact O-CA 3.27Å; I281-Y284 WeakPolarHBondContact O-CB 3.36Å; I281-Y284 PolarHBondContact O-N 2.98Å; I281-L302 HydrophobicContact CB-CD1 4.12Å; I281-L302 HydrophobicContact CD1-CD1 4.21Å; I281-L302 HydrophobicContact CD1-CD2 3.68Å; I281-L302 HydrophobicContact CG2-CD1 3.78Å | ||
| 282 | G | 76.6 | Confident | 78.5 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 132.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | D280 Y284 | D280-G282 PolarHBondContact OD1-N 2.58Å; G282-Y284 VanDerWaalsContact C-N 3.3Å |
| 283 | G | 79.2 | Confident | 79.4 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 64% | 0.639 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -3.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I281 P285 | I281-G283 PolarHBondContact O-N 3.27Å; G283-P285 WeakPolarHBondContact O-CD 3.44Å |
| 284 | Y | 83.1 | Confident | 80.4 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -119.4 | 78.2 | 173.1 | -58.2 | -82.5 | 0 | 0 | 0 | 111.1 | I281 G282 F286 H304 | I281-Y284 WeakPolarHBondContact O-CA 3.27Å; I281-Y284 WeakPolarHBondContact O-CB 3.36Å; I281-Y284 PolarHBondContact O-N 2.98Å; G282-Y284 VanDerWaalsContact C-N 3.3Å; Y284-F286 PolarHBondContact O-N 3.19Å; Y284-H304 AromaticContact CD1-CE1 3.59Å; Y284-H304 AromaticContact CD1-CG 3.89Å; Y284-H304 AromaticContact CD1-ND1 3.49Å; Y284-H304 WeakPolarHBondContact CD1-ND1 3.48Å; Y284-H304 AromaticContact CE1-CE1 3.54Å; Y284-H304 AromaticContact CE1-ND1 3.41Å; Y284-H304 WeakPolarHBondContact CE1-ND1 3.2Å |
| 285 | P | 79.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | trans | -50.7 | 129.7 | -174.7 | -29.6 | 34.7 | 0 | 0 | 0 | 113.8 | G283 L287 R303 | G283-P285 WeakPolarHBondContact O-CD 3.44Å; P285-L287 PolarHBondContact O-N 2.72Å; P285-R303 HydrophobicContact CB-CB 4.29Å; P285-R303 PolarHBondContact O-N 3.25Å | ||
| 286 | F | 81.9 | Confident | 81.6 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 132.7 | 169.6 | 178.8 | -86.4 | 0 | 0 | 0 | 110.1 | Q181 F182 Y284 F288 F300 L302 | Q181-F286 HydrophobicContact CB-CD1 3.95Å; Q181-F286 HydrophobicContact CB-CE1 4.21Å; Q181-F286 HydrophobicContact CB-CG 4.19Å; Q181-F286 VanDerWaalsContact OE1-CB 3.23Å; F182-F286 HydrophobicContact CB-CE2 3.71Å; F182-F286 HydrophobicContact CB-CZ 3.81Å; F182-F286 HydrophobicContact CG-CE2 4.3Å; F182-F286 HydrophobicContact CG-CZ 4.45Å; Y284-F286 PolarHBondContact O-N 3.19Å; F286-F288 VanDerWaalsContact CZ-C 3.4Å; F286-F300 HydrophobicContact CE2-CB 3.96Å; F286-L302 HydrophobicContact CB-CD2 4.35Å; F286-L302 HydrophobicContact CD2-CD2 4.43Å |
| 287 | L | 85.2 | Confident | 81.7 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -60 | 178.2 | -64.9 | 177.8 | 0 | 0 | 0 | 111.1 | P285 C301 R303 F327 Q331 Y340 | P285-L287 PolarHBondContact O-N 2.72Å; L287-C301 HydrophobicContact CB-CB 4.24Å; L287-C301 PolarHBondContact N-O 3.36Å; L287-R303 HydrophobicContact CD1-CB 4.03Å; L287-R303 HydrophobicContact CD2-CB 4.11Å; L287-R303 HydrophobicContact CG-CB 4.05Å; L287-F327 HydrophobicContact CD1-CD1 4.05Å; L287-F327 HydrophobicContact CD1-CE1 4.46Å; L287-Q331 HydrophobicContact CD2-CG 4.45Å; L287-Y340 HydrophobicContact CB-CE2 4.27Å; L287-Y340 HydrophobicContact CD2-CE2 4.44Å; L287-Y340 WeakPolarHBondContact O-CE2 3.35Å |
| 288 | F | 87.2 | Confident | 82.1 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 165.2 | -177.3 | 62.1 | -93.2 | 0 | 0 | 0 | 111.9 | F286 V290 C301 L310 F324 F327 Y340 A341 C342 | F286-F288 VanDerWaalsContact CZ-C 3.4Å; F288-V290 HydrophobicContact CD2-CB 4.36Å; F288-V290 HydrophobicContact CE2-CB 4.31Å; F288-V290 HydrophobicContact CE2-CG1 4.12Å; F288-C301 HydrophobicContact CD1-CB 3.79Å; F288-C301 HydrophobicContact CD2-CB 4.11Å; F288-C301 HydrophobicContact CE1-CB 3.53Å; F288-C301 HydrophobicContact CE2-CB 3.87Å; F288-C301 HydrophobicContact CG-CB 4.07Å; F288-C301 HydrophobicContact CZ-CB 3.58Å; F288-C301 PolarHBondContact O-N 3.43Å; F288-L310 HydrophobicContact CE2-CD1 4.01Å; F288-L310 HydrophobicContact CZ-CD1 4.39Å; F288-F324 HydrophobicContact CZ-CD2 4.36Å; F288-F324 HydrophobicContact CZ-CE2 4.03Å; F288-F327 HydrophobicContact CD1-CE1 4.24Å; F288-F327 HydrophobicContact CE1-CD1 4.41Å; F288-F327 AromaticContact CE1-CE1 3.74Å; F288-F327 HydrophobicContact CE1-CE1 3.74Å; F288-F327 HydrophobicContact CE1-CZ 4.39Å; F288-Y340 WeakPolarHBondContact CB-O 3.32Å; F288-Y340 HydrophobicContact CD1-CD2 4.36Å; F288-A341 HydrophobicContact CB-CB 4.27Å; F288-A341 HydrophobicContact CD2-CB 3.72Å; F288-A341 HydrophobicContact CE2-CB 4.15Å; F288-A341 HydrophobicContact CG-CB 3.94Å; F288-C342 HydrophobicContact CE2-CB 4.32Å; F288-C342 HydrophobicContact CZ-CB 4.16Å |
| 289 | S | 87.2 | Confident | 82.6 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150.3 | 164.3 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | F182 L299 | F182-S289 VanDerWaalsContact CD2-CB 3.44Å; F182-S289 WeakPolarHBondContact CD2-OG 3.27Å; F182-S289 VanDerWaalsContact CE2-CB 3.44Å; S289-L299 CarbonylContact C-O 3.59Å; S289-L299 VanDerWaalsContact CA-O 3.25Å; S289-L299 WeakPolarHBondContact CA-O 3.4Å |
| 290 | V | 89.1 | Confident | 83 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 125 | -179 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | F288 P298 L299 L310 | F288-V290 HydrophobicContact CD2-CB 4.36Å; F288-V290 HydrophobicContact CE2-CB 4.31Å; F288-V290 HydrophobicContact CE2-CG1 4.12Å; V290-P298 CarbonylContact O-C 3.49Å; V290-P298 VanDerWaalsContact O-CA 3.22Å; V290-P298 WeakPolarHBondContact O-CA 3.48Å; V290-P298 WeakPolarHBondContact O-CB 3.18Å; V290-L299 HydrophobicContact CG1-CB 4.09Å; V290-L299 PolarHBondContact N-O 2.96Å; V290-L299 PolarHBondContact O-N 3.06Å; V290-L310 HydrophobicContact CG1-CD1 3.97Å; V290-L310 HydrophobicContact CG1-CD2 4.25Å |
| 291 | K | 86.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | trans | -88.8 | 123.2 | 172.8 | -156 | 164.2 | -160.8 | 168.3 | 0 | 107.9 | Y43 D118 M296 P298 | Y43-K291 HydrophobicContact CD2-CB 4.49Å; Y43-K291 HydrophobicContact CD2-CD 4.4Å; Y43-K291 HydrophobicContact CE1-CB 4.23Å; Y43-K291 WeakPolarHBondContact CE1-O 3.22Å; Y43-K291 HydrophobicContact CE2-CB 4.04Å; D118-K291 IonicContact OD1-NZ 3.53Å; D118-K291 PolarHBondContact OD1-NZ 3.29Å; D118-K291 IonicContact OD2-NZ 3.85Å; K291-M296 WeakPolarHBondContact CE-O 3.39Å; K291-P298 HydrophobicContact CB-CB 4.02Å; K291-P298 HydrophobicContact CB-CG 4.1Å; K291-P298 HydrophobicContact CD-CG 4Å; K291-P298 HydrophobicContact CG-CB 4.27Å; K291-P298 HydrophobicContact CG-CG 3.95Å | ||
| 292 | C | 86.6 | Confident | 84.1 | Confident | 37 Ų | 37 | 37 Ų | 37 | 25% | 0.25 | 21% | 0.207 | C | C | . | . | trans | -107.5 | -30.3 | -176.8 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | L299 T344 | C292-L299 HydrophobicContact CB-CD1 4.3Å; C292-T344 WeakPolarHBondContact CB-O 3.34Å; C292-T344 PolarHBondContact SG-O 3.35Å | ||
| 293 | D | 81.8 | Confident | 84.6 | Confident | 69 Ų | 69 | 38.5 Ų | 38.5 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -131.3 | 141.6 | 172.5 | -177.7 | -28.8 | 0 | 0 | 0 | 107.8 | R295 M296 | D293-R295 PolarHBondContact O-N 2.9Å; D293-R295 WeakPolarHBondContact OD1-CB 3.27Å; D293-R295 WeakPolarHBondContact OD1-CG 3.33Å; D293-R295 PolarHBondContact OD1-N 3.18Å; D293-M296 HydrophobicContact CB-CB 4.08Å; D293-M296 HydrophobicContact CB-CG 3.87Å; D293-M296 PolarHBondContact O-N 2.75Å |
| 294 | A | 80.5 | Confident | 85 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W44 | W44-A294 HydrophobicContact CD2-CB 3.47Å; W44-A294 VanDerWaalsContact CD2-CB 3.47Å; W44-A294 VanDerWaalsContact CE2-CB 3.42Å; W44-A294 HydrophobicContact CE3-CB 4Å; W44-A294 HydrophobicContact CG-CB 3.73Å; W44-A294 HydrophobicContact CH2-CB 4.43Å; W44-A294 HydrophobicContact CZ2-CB 3.93Å; W44-A294 HydrophobicContact CZ3-CB 4.45Å |
| 295 | R | 80.1 | Confident | 85.1 | Confident | 157 Ų | 157 | 40.8 Ų | 40.8 | 59% | 0.592 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -20.3 | -174.1 | -54.3 | 171.6 | -159.8 | -177.3 | 9.7 | 112.7 | W44 D293 | W44-R295 HydrophobicContact CH2-CG 3.91Å; W44-R295 HydrophobicContact CZ3-CG 3.86Å; D293-R295 PolarHBondContact O-N 2.9Å; D293-R295 WeakPolarHBondContact OD1-CB 3.27Å; D293-R295 WeakPolarHBondContact OD1-CG 3.33Å; D293-R295 PolarHBondContact OD1-N 3.18Å |
| 296 | M | 80.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 35% | 0.345 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -99.6 | 159 | -174.9 | -62.2 | -58.9 | -71.7 | 0 | 0 | 111.8 | K291 D293 | K291-M296 WeakPolarHBondContact CE-O 3.39Å; D293-M296 HydrophobicContact CB-CB 4.08Å; D293-M296 HydrophobicContact CB-CG 3.87Å; D293-M296 PolarHBondContact O-N 2.75Å |
| 297 | P | 79 | Confident | 85.9 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.071 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -49 | 140.3 | 160.3 | -28.8 | 38 | 0 | 0 | 0 | 111.6 | V186 | V186-P297 HydrophobicContact CB-CG 4.26Å; V186-P297 HydrophobicContact CG1-CG 3.92Å; V186-P297 HydrophobicContact CG2-CB 4.39Å; V186-P297 HydrophobicContact CG2-CG 4.06Å |
| 298 | P | 84.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 138.1 | 157.7 | -11.5 | 25.8 | 0 | 0 | 0 | 109.9 | F182 C184 V290 K291 | F182-P298 HydrophobicContact CE2-CB 3.94Å; F182-P298 HydrophobicContact CE2-CG 4.04Å; F182-P298 HydrophobicContact CZ-CB 3.75Å; F182-P298 HydrophobicContact CZ-CG 3.94Å; C184-P298 HydrophobicContact CB-CG 4.39Å; C184-P298 VanDerWaalsContact SG-CD 3.51Å; V290-P298 CarbonylContact O-C 3.49Å; V290-P298 VanDerWaalsContact O-CA 3.22Å; V290-P298 WeakPolarHBondContact O-CA 3.48Å; V290-P298 WeakPolarHBondContact O-CB 3.18Å; K291-P298 HydrophobicContact CB-CB 4.02Å; K291-P298 HydrophobicContact CB-CG 4.1Å; K291-P298 HydrophobicContact CD-CG 4Å; K291-P298 HydrophobicContact CG-CB 4.27Å; K291-P298 HydrophobicContact CG-CG 3.95Å |
| 299 | L | 89.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 152.9 | 173.2 | -68.5 | 73 | 0 | 0 | 0 | 108.7 | S289 V290 C292 L310 W311 Q312 F321 | S289-L299 CarbonylContact C-O 3.59Å; S289-L299 VanDerWaalsContact CA-O 3.25Å; S289-L299 WeakPolarHBondContact CA-O 3.4Å; V290-L299 HydrophobicContact CG1-CB 4.09Å; V290-L299 PolarHBondContact N-O 2.96Å; V290-L299 PolarHBondContact O-N 3.06Å; C292-L299 HydrophobicContact CB-CD1 4.3Å; L299-L310 HydrophobicContact CB-CD1 3.9Å; L299-L310 HydrophobicContact CB-CD2 4.18Å; L299-L310 HydrophobicContact CB-CG 3.93Å; L299-L310 HydrophobicContact CD2-CD2 3.71Å; L299-L310 HydrophobicContact CD2-CG 3.98Å; L299-W311 WeakPolarHBondContact CA-O 3.47Å; L299-W311 WeakPolarHBondContact CB-O 3.34Å; L299-Q312 HydrophobicContact CD2-CB 4.22Å; L299-Q312 HydrophobicContact CG-CB 4.24Å; L299-Q312 HydrophobicContact CG-CG 4.47Å; L299-F321 HydrophobicContact CD2-CB 3.9Å; L299-F321 HydrophobicContact CD2-CD1 3.49Å; L299-F321 VanDerWaalsContact CD2-CD1 3.49Å; L299-F321 HydrophobicContact CD2-CD2 3.76Å; L299-F321 HydrophobicContact CD2-CE1 3.86Å; L299-F321 HydrophobicContact CD2-CE2 4.1Å; L299-F321 HydrophobicContact CD2-CG 3.42Å; L299-F321 VanDerWaalsContact CD2-CG 3.42Å; L299-F321 HydrophobicContact CD2-CZ 4.15Å |
| 300 | F | 88.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.3 | 177.5 | 69 | -83.7 | 0 | 0 | 0 | 110.9 | F182 L193 L265 F286 L302 W311 V313 W318 | F182-F300 HydrophobicContact CD1-CB 4.42Å; F182-F300 HydrophobicContact CE1-CB 4.42Å; L193-F300 HydrophobicContact CD2-CD1 4.4Å; L193-F300 HydrophobicContact CD2-CE1 4.43Å; L265-F300 HydrophobicContact CD1-CE2 3.63Å; L265-F300 HydrophobicContact CD1-CZ 3.54Å; L265-F300 HydrophobicContact CD2-CD2 4.42Å; L265-F300 HydrophobicContact CD2-CE2 4.05Å; L265-F300 HydrophobicContact CD2-CZ 4.12Å; L265-F300 HydrophobicContact CG-CE2 4.47Å; F286-F300 HydrophobicContact CE2-CB 3.96Å; F300-L302 HydrophobicContact CD2-CD2 3.84Å; F300-L302 HydrophobicContact CD2-CG 3.92Å; F300-L302 HydrophobicContact CE2-CD1 3.91Å; F300-L302 HydrophobicContact CE2-CD2 3.97Å; F300-L302 HydrophobicContact CE2-CG 3.73Å; F300-W311 HydrophobicContact CD1-CB 4.16Å; F300-W311 HydrophobicContact CD2-CB 4.37Å; F300-W311 HydrophobicContact CE1-CB 3.57Å; F300-W311 HydrophobicContact CE1-CG 4.46Å; F300-W311 HydrophobicContact CE2-CB 3.83Å; F300-W311 AromaticContact CE2-CD1 3.83Å; F300-W311 AromaticContact CE2-CG 3.94Å; F300-W311 HydrophobicContact CE2-CG 3.94Å; F300-W311 HydrophobicContact CZ-CB 3.39Å; F300-W311 AromaticContact CZ-CG 3.81Å; F300-W311 HydrophobicContact CZ-CG 3.81Å; F300-W311 PolarHBondContact N-O 3.09Å; F300-W311 PolarHBondContact O-N 3.14Å; F300-V313 HydrophobicContact CD1-CG2 4.18Å; F300-V313 HydrophobicContact CE1-CG2 3.63Å; F300-W318 AromaticContact CE1-CE3 3.6Å; F300-W318 HydrophobicContact CE1-CE3 3.6Å; F300-W318 AromaticContact CE1-CZ3 3.5Å; F300-W318 HydrophobicContact CE1-CZ3 3.5Å; F300-W318 AromaticContact CZ-CE3 3.57Å; F300-W318 HydrophobicContact CZ-CE3 3.57Å; F300-W318 AromaticContact CZ-CZ3 3.6Å; F300-W318 HydrophobicContact CZ-CZ3 3.6Å |
| 301 | C | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.2 | -177.8 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | L287 F288 V309 L310 | L287-C301 HydrophobicContact CB-CB 4.24Å; L287-C301 PolarHBondContact N-O 3.36Å; F288-C301 HydrophobicContact CD1-CB 3.79Å; F288-C301 HydrophobicContact CD2-CB 4.11Å; F288-C301 HydrophobicContact CE1-CB 3.53Å; F288-C301 HydrophobicContact CE2-CB 3.87Å; F288-C301 HydrophobicContact CG-CB 4.07Å; F288-C301 HydrophobicContact CZ-CB 3.58Å; F288-C301 PolarHBondContact O-N 3.43Å; C301-V309 CarbonylContact C-O 3.59Å; C301-V309 VanDerWaalsContact CA-O 3.28Å; C301-V309 WeakPolarHBondContact CA-O 3.31Å; C301-V309 PolarHBondContact SG-O 3.06Å; C301-V309 VanDerWaalsContact SG-O 3.41Å; C301-L310 HydrophobicContact CB-CD1 3.78Å |
| 302 | L | 89.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.6 | 172.4 | -57 | -175.7 | 0 | 0 | 0 | 110.1 | I281 F286 F300 H304 V309 | I281-L302 HydrophobicContact CB-CD1 4.12Å; I281-L302 HydrophobicContact CD1-CD1 4.21Å; I281-L302 HydrophobicContact CD1-CD2 3.68Å; I281-L302 HydrophobicContact CG2-CD1 3.78Å; F286-L302 HydrophobicContact CB-CD2 4.35Å; F286-L302 HydrophobicContact CD2-CD2 4.43Å; F300-L302 HydrophobicContact CD2-CD2 3.84Å; F300-L302 HydrophobicContact CD2-CG 3.92Å; F300-L302 HydrophobicContact CE2-CD1 3.91Å; F300-L302 HydrophobicContact CE2-CD2 3.97Å; F300-L302 HydrophobicContact CE2-CG 3.73Å; L302-H304 WeakPolarHBondContact CB-NE2 3.4Å; L302-H304 WeakPolarHBondContact CD1-NE2 3.28Å; L302-H304 PolarHBondContact O-N 3.43Å; L302-V309 PolarHBondContact N-O 2.99Å; L302-V309 PolarHBondContact O-N 2.68Å |
| 303 | R | 87.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.2 | 169.5 | -177.1 | 174.9 | 171.5 | -172.5 | -7.6 | 109.9 | P285 L287 L305 D307 | P285-R303 HydrophobicContact CB-CB 4.29Å; P285-R303 PolarHBondContact O-N 3.25Å; L287-R303 HydrophobicContact CD1-CB 4.03Å; L287-R303 HydrophobicContact CD2-CB 4.11Å; L287-R303 HydrophobicContact CG-CB 4.05Å; R303-L305 PolarHBondContact NE-O 3.27Å; R303-D307 WeakPolarHBondContact CA-O 3.37Å |
| 304 | H | 87.8 | Confident | 86.3 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 98.7 | 170.8 | -74.8 | -106 | 0 | 0 | 0 | 107.9 | Y284 L302 V306 D307 V309 W311 | Y284-H304 AromaticContact CD1-CE1 3.59Å; Y284-H304 AromaticContact CD1-CG 3.89Å; Y284-H304 AromaticContact CD1-ND1 3.49Å; Y284-H304 WeakPolarHBondContact CD1-ND1 3.48Å; Y284-H304 AromaticContact CE1-CE1 3.54Å; Y284-H304 AromaticContact CE1-ND1 3.41Å; Y284-H304 WeakPolarHBondContact CE1-ND1 3.2Å; L302-H304 WeakPolarHBondContact CB-NE2 3.4Å; L302-H304 WeakPolarHBondContact CD1-NE2 3.28Å; L302-H304 PolarHBondContact O-N 3.43Å; H304-V306 PolarHBondContact O-N 2.84Å; H304-D307 PolarHBondContact N-O 3Å; H304-D307 PolarHBondContact O-N 2.79Å; H304-V309 HydrophobicContact CB-CG2 3.83Å; H304-W311 AromaticContact CE1-CZ2 3.97Å; H304-W311 AromaticContact NE2-CE2 3.75Å; H304-W311 AromaticContact NE2-CZ2 3.85Å; H304-W311 AromaticContact NE2-NE1 3.13Å; H304-W311 PolarHBondContact NE2-NE1 2.79Å; H304-W311 VanDerWaalsContact NE2-NE1 3.13Å |
| 305 | L | 85.8 | Confident | 86 | Confident | 153 Ų | 153 | 44.7 Ų | 44.7 | 80% | 0.801 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -88.4 | -173.1 | -55.4 | 172.8 | 0 | 0 | 0 | 113 | R303 | R303-L305 PolarHBondContact NE-O 3.27Š|
| 306 | V | 87 | Confident | 85.5 | Confident | 47 Ų | 47 | 40 Ų | 40 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -17.1 | -172.9 | -54 | 0 | 0 | 0 | 0 | 112.4 | H304 A326 F327 G328 Y329 | H304-V306 PolarHBondContact O-N 2.84Å; V306-A326 CarbonylContact O-C 3.03Å; V306-A326 WeakPolarHBondContact O-CA 3.48Å; V306-F327 PolarHBondContact O-N 3.36Å; V306-G328 WeakPolarHBondContact O-CA 3.31Å; V306-G328 PolarHBondContact O-N 3.43Å; V306-Y329 HydrophobicContact CB-CD2 3.77Å; V306-Y329 HydrophobicContact CB-CE2 3.64Å; V306-Y329 HydrophobicContact CG1-CD2 3.93Å; V306-Y329 HydrophobicContact CG1-CE2 3.26Å |
| 307 | D | 90.6 | Very high | 85.1 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 156.1 | -173.7 | -61.2 | -40.1 | 0 | 0 | 0 | 111.5 | R303 H304 T323 N325 A326 | R303-D307 WeakPolarHBondContact CA-O 3.37Å; H304-D307 PolarHBondContact N-O 3Å; H304-D307 PolarHBondContact O-N 2.79Å; D307-T323 HydrophobicContact CB-CG2 3.88Å; D307-N325 VanDerWaalsContact OD1-CA 3.27Å; D307-N325 WeakPolarHBondContact OD1-CA 2.95Å; D307-A326 PolarHBondContact OD1-N 2.92Å |
| 308 | G | 91.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F324 | G308-F324 PolarHBondContact N-O 2.83Å; G308-F324 PolarHBondContact O-N 2.8Å |
| 309 | V | 92.7 | Very high | 85.4 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.9 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | C301 L302 H304 W311 T323 | C301-V309 CarbonylContact C-O 3.59Å; C301-V309 VanDerWaalsContact CA-O 3.28Å; C301-V309 WeakPolarHBondContact CA-O 3.31Å; C301-V309 PolarHBondContact SG-O 3.06Å; C301-V309 VanDerWaalsContact SG-O 3.41Å; L302-V309 PolarHBondContact N-O 2.99Å; L302-V309 PolarHBondContact O-N 2.68Å; H304-V309 HydrophobicContact CB-CG2 3.83Å; V309-W311 HydrophobicContact CG1-CD2 4.46Å; V309-W311 HydrophobicContact CG1-CZ2 4.06Å; V309-T323 HydrophobicContact CG2-CG2 4.46Å |
| 310 | L | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.7 | 176.9 | -167.5 | 71.1 | 0 | 0 | 0 | 109.7 | F288 V290 L299 C301 F321 A322 F324 C346 | F288-L310 HydrophobicContact CE2-CD1 4.01Å; F288-L310 HydrophobicContact CZ-CD1 4.39Å; V290-L310 HydrophobicContact CG1-CD1 3.97Å; V290-L310 HydrophobicContact CG1-CD2 4.25Å; L299-L310 HydrophobicContact CB-CD1 3.9Å; L299-L310 HydrophobicContact CB-CD2 4.18Å; L299-L310 HydrophobicContact CB-CG 3.93Å; L299-L310 HydrophobicContact CD2-CD2 3.71Å; L299-L310 HydrophobicContact CD2-CG 3.98Å; C301-L310 HydrophobicContact CB-CD1 3.78Å; L310-F321 HydrophobicContact CD2-CD1 4Å; L310-F321 WeakPolarHBondContact O-CB 3.42Å; L310-F321 PolarHBondContact O-N 3.07Å; L310-A322 HydrophobicContact CB-CB 4.24Å; L310-A322 PolarHBondContact N-O 3.23Å; L310-A322 PolarHBondContact O-N 2.71Å; L310-F324 HydrophobicContact CB-CE2 4.11Å; L310-F324 HydrophobicContact CD2-CE2 4.24Å; L310-C346 WeakPolarHBondContact CD2-SG 3.29Å |
| 311 | W | 91.2 | Very high | 85.7 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135 | -176.1 | -66 | 87.8 | 0 | 0 | 0 | 110.9 | L299 F300 H304 V309 W318 S319 | L299-W311 WeakPolarHBondContact CA-O 3.47Å; L299-W311 WeakPolarHBondContact CB-O 3.34Å; F300-W311 HydrophobicContact CD1-CB 4.16Å; F300-W311 HydrophobicContact CD2-CB 4.37Å; F300-W311 HydrophobicContact CE1-CB 3.57Å; F300-W311 HydrophobicContact CE1-CG 4.46Å; F300-W311 HydrophobicContact CE2-CB 3.83Å; F300-W311 AromaticContact CE2-CD1 3.83Å; F300-W311 AromaticContact CE2-CG 3.94Å; F300-W311 HydrophobicContact CE2-CG 3.94Å; F300-W311 HydrophobicContact CZ-CB 3.39Å; F300-W311 AromaticContact CZ-CG 3.81Å; F300-W311 HydrophobicContact CZ-CG 3.81Å; F300-W311 PolarHBondContact N-O 3.09Å; F300-W311 PolarHBondContact O-N 3.14Å; H304-W311 AromaticContact CE1-CZ2 3.97Å; H304-W311 AromaticContact NE2-CE2 3.75Å; H304-W311 AromaticContact NE2-CZ2 3.85Å; H304-W311 AromaticContact NE2-NE1 3.13Å; H304-W311 PolarHBondContact NE2-NE1 2.79Å; H304-W311 VanDerWaalsContact NE2-NE1 3.13Å; V309-W311 HydrophobicContact CG1-CD2 4.46Å; V309-W311 HydrophobicContact CG1-CZ2 4.06Å; W311-W318 HydrophobicContact CE3-CB 4.39Å; W311-S319 WeakPolarHBondContact CA-O 3.32Å |
| 312 | Q | 88.6 | Confident | 85.7 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 149.9 | 168.2 | -173.7 | 175.7 | 22.6 | 0 | 0 | 109.9 | L299 S319 F321 | L299-Q312 HydrophobicContact CD2-CB 4.22Å; L299-Q312 HydrophobicContact CG-CB 4.24Å; L299-Q312 HydrophobicContact CG-CG 4.47Å; Q312-S319 PolarHBondContact N-O 2.82Å; Q312-S319 PolarHBondContact O-N 3Å; Q312-F321 HydrophobicContact CB-CB 4.1Å; Q312-F321 HydrophobicContact CB-CD2 3.97Å; Q312-F321 HydrophobicContact CB-CG 4.4Å |
| 313 | V | 78.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.8 | -177.7 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | V186 L193 W267 F300 W318 | V186-V313 HydrophobicContact CG1-CG1 4.13Å; V186-V313 HydrophobicContact CG2-CG1 4.23Å; L193-V313 HydrophobicContact CD1-CG1 3.97Å; L193-V313 HydrophobicContact CD2-CB 4.47Å; L193-V313 HydrophobicContact CD2-CG1 4.36Å; L193-V313 HydrophobicContact CD2-CG2 3.77Å; W267-V313 HydrophobicContact CE3-CG1 3.92Å; W267-V313 HydrophobicContact CH2-CG1 4.04Å; W267-V313 HydrophobicContact CZ3-CG1 3.26Å; F300-V313 HydrophobicContact CD1-CG2 4.18Å; F300-V313 HydrophobicContact CE1-CG2 3.63Å; V313-W318 HydrophobicContact CG2-CE3 3.72Å; V313-W318 HydrophobicContact CG2-CZ3 3.88Å |
| 314 | S | 77.3 | Confident | 86.1 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 137.1 | -175.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | H316 C317 | S314-H316 PolarHBondContact O-N 2.83Å; S314-C317 PolarHBondContact N-O 2.89Å; S314-C317 VanDerWaalsContact N-O 3.09Å; S314-C317 CarbonylContact O-C 3.57Å; S314-C317 WeakPolarHBondContact O-CA 3.23Å; S314-C317 VanDerWaalsContact O-CB 3.31Å; S314-C317 WeakPolarHBondContact O-CB 3.46Å; S314-C317 PolarHBondContact O-N 3.25Å |
| 315 | D | 74.5 | Confident | 86 | Confident | 123 Ų | 123 | 55.2 Ų | 55.2 | 66% | 0.658 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 60.8 | 173.7 | -169.1 | 17.3 | 0 | 0 | 0 | 114.3 | C317 | D315-C317 WeakPolarHBondContact O-CB 3.4Å; D315-C317 PolarHBondContact O-N 3.21Å |
| 316 | H | 68 | Low | 86 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 27% | 0.269 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 13.1 | -177.1 | -56.1 | -80.2 | 0 | 0 | 0 | 115.9 | W267 S314 | W267-H316 AromaticContact CD1-ND1 3.96Å; W267-H316 AromaticContact CD2-ND1 3.91Å; W267-H316 AromaticContact CE2-CE1 3.62Å; W267-H316 AromaticContact CE2-ND1 3.2Å; W267-H316 HydrophobicContact CH2-CB 4.42Å; W267-H316 HydrophobicContact CZ2-CB 4.47Å; W267-H316 AromaticContact CZ2-CE1 3.63Å; W267-H316 AromaticContact CZ2-CG 3.89Å; W267-H316 AromaticContact CZ2-ND1 3.36Å; W267-H316 WeakPolarHBondContact CZ2-ND1 3.42Å; W267-H316 AromaticContact NE1-CE1 3.36Å; W267-H316 PolarHBondContact NE1-CE1 3.41Å; W267-H316 AromaticContact NE1-ND1 3.2Å; W267-H316 PolarHBondContact NE1-ND1 2.67Å; W267-H316 VanDerWaalsContact NE1-ND1 3.2Å; S314-H316 PolarHBondContact O-N 2.83Å |
| 317 | C | 73.3 | Confident | 86.1 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 161.4 | -172.6 | -162.5 | 0 | 0 | 0 | 0 | 112 | S314 D315 | S314-C317 PolarHBondContact N-O 2.89Å; S314-C317 VanDerWaalsContact N-O 3.09Å; S314-C317 CarbonylContact O-C 3.57Å; S314-C317 WeakPolarHBondContact O-CA 3.23Å; S314-C317 VanDerWaalsContact O-CB 3.31Å; S314-C317 WeakPolarHBondContact O-CB 3.46Å; S314-C317 PolarHBondContact O-N 3.25Å; D315-C317 WeakPolarHBondContact O-CB 3.4Å; D315-C317 PolarHBondContact O-N 3.21Å |
| 318 | W | 81.3 | Confident | 85.7 | Confident | 58 Ų | 58 | 45.3 Ų | 45.3 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 112.1 | -173 | -49.2 | 81.4 | 0 | 0 | 0 | 108.2 | L193 L265 F300 W311 V313 | L193-W318 HydrophobicContact CD1-CH2 3.28Å; L193-W318 HydrophobicContact CD1-CZ2 3.9Å; L193-W318 HydrophobicContact CD1-CZ3 3.86Å; L193-W318 HydrophobicContact CD2-CH2 4.03Å; L193-W318 HydrophobicContact CD2-CZ3 3.81Å; L193-W318 HydrophobicContact CG-CH2 3.84Å; L193-W318 HydrophobicContact CG-CZ3 4.16Å; L265-W318 HydrophobicContact CB-CH2 3.53Å; L265-W318 HydrophobicContact CB-CZ2 4.06Å; L265-W318 HydrophobicContact CB-CZ3 4.02Å; L265-W318 HydrophobicContact CD1-CE3 4.03Å; L265-W318 HydrophobicContact CD1-CH2 4.03Å; L265-W318 HydrophobicContact CD1-CZ3 3.62Å; L265-W318 HydrophobicContact CD2-CH2 4.07Å; L265-W318 HydrophobicContact CD2-CZ3 3.9Å; L265-W318 HydrophobicContact CG-CH2 4.08Å; L265-W318 HydrophobicContact CG-CZ3 4.06Å; F300-W318 AromaticContact CE1-CE3 3.6Å; F300-W318 HydrophobicContact CE1-CE3 3.6Å; F300-W318 AromaticContact CE1-CZ3 3.5Å; F300-W318 HydrophobicContact CE1-CZ3 3.5Å; F300-W318 AromaticContact CZ-CE3 3.57Å; F300-W318 HydrophobicContact CZ-CE3 3.57Å; F300-W318 AromaticContact CZ-CZ3 3.6Å; F300-W318 HydrophobicContact CZ-CZ3 3.6Å; W311-W318 HydrophobicContact CE3-CB 4.39Å; V313-W318 HydrophobicContact CG2-CE3 3.72Å; V313-W318 HydrophobicContact CG2-CZ3 3.88Å |
| 319 | S | 88.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142.5 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | W311 Q312 F321 | W311-S319 WeakPolarHBondContact CA-O 3.32Å; Q312-S319 PolarHBondContact N-O 2.82Å; Q312-S319 PolarHBondContact O-N 3Å; S319-F321 PolarHBondContact O-N 2.72Å |
| 320 | H | 91.3 | Very high | 84.8 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.4 | 161.2 | 175.3 | -81.7 | 0 | 0 | 0 | 109 | A322 T323 | H320-A322 PolarHBondContact NE2-O 2.72Å; H320-T323 PolarHBondContact NE2-OG1 2.72Å |
| 321 | F | 91.4 | Very high | 84.3 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -46.6 | 176.4 | -173.9 | -88.4 | 0 | 0 | 0 | 111.8 | L299 L310 Q312 S319 C346 | L299-F321 HydrophobicContact CD2-CB 3.9Å; L299-F321 HydrophobicContact CD2-CD1 3.49Å; L299-F321 VanDerWaalsContact CD2-CD1 3.49Å; L299-F321 HydrophobicContact CD2-CD2 3.76Å; L299-F321 HydrophobicContact CD2-CE1 3.86Å; L299-F321 HydrophobicContact CD2-CE2 4.1Å; L299-F321 HydrophobicContact CD2-CG 3.42Å; L299-F321 VanDerWaalsContact CD2-CG 3.42Å; L299-F321 HydrophobicContact CD2-CZ 4.15Å; L310-F321 HydrophobicContact CD2-CD1 4Å; L310-F321 WeakPolarHBondContact O-CB 3.42Å; L310-F321 PolarHBondContact O-N 3.07Å; Q312-F321 HydrophobicContact CB-CB 4.1Å; Q312-F321 HydrophobicContact CB-CD2 3.97Å; Q312-F321 HydrophobicContact CB-CG 4.4Å; S319-F321 PolarHBondContact O-N 2.72Å; F321-C346 HydrophobicContact CE1-CB 4.43Å |
| 322 | A | 91.7 | Very high | 83.6 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L310 H320 C346 | L310-A322 HydrophobicContact CB-CB 4.24Å; L310-A322 PolarHBondContact N-O 3.23Å; L310-A322 PolarHBondContact O-N 2.71Å; H320-A322 PolarHBondContact NE2-O 2.72Å; A322-C346 HydrophobicContact CB-CB 4.48Å |
| 323 | T | 92.1 | Very high | 83.1 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131 | 169 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | D307 V309 H320 N325 | D307-T323 HydrophobicContact CB-CG2 3.88Å; V309-T323 HydrophobicContact CG2-CG2 4.46Å; H320-T323 PolarHBondContact NE2-OG1 2.72Å; T323-N325 WeakPolarHBondContact CG2-OD1 3.43Å |
| 324 | F | 91.7 | Very high | 83.2 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 96.1 | 169 | -59.5 | -71.2 | 0 | 0 | 0 | 108.6 | F288 G308 L310 F327 C342 C346 A349 | F288-F324 HydrophobicContact CZ-CD2 4.36Å; F288-F324 HydrophobicContact CZ-CE2 4.03Å; G308-F324 PolarHBondContact N-O 2.83Å; G308-F324 PolarHBondContact O-N 2.8Å; L310-F324 HydrophobicContact CB-CE2 4.11Å; L310-F324 HydrophobicContact CD2-CE2 4.24Å; F324-F327 HydrophobicContact CB-CB 3.59Å; F324-F327 HydrophobicContact CB-CD2 4.48Å; F324-F327 HydrophobicContact CB-CG 3.98Å; F324-F327 WeakPolarHBondContact O-CB 3.46Å; F324-F327 PolarHBondContact O-N 2.85Å; F324-F327 VanDerWaalsContact O-N 3.12Å; F324-C342 HydrophobicContact CE1-CB 3.89Å; F324-C342 HydrophobicContact CE2-CB 3.93Å; F324-C342 HydrophobicContact CZ-CB 3.33Å; F324-C346 HydrophobicContact CE1-CB 4.47Å; F324-C346 WeakPolarHBondContact CE1-O 3.26Å; F324-C346 HydrophobicContact CZ-CB 3.96Å; F324-A349 HydrophobicContact CD1-CB 3.72Å; F324-A349 HydrophobicContact CE1-CB 4.07Å; F324-A349 HydrophobicContact CG-CB 4.11Å |
| 325 | N | 87.2 | Confident | 83.1 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 135.8 | -174.4 | -61 | 4.9 | 0 | 0 | 0 | 111.5 | D307 T323 F327 | D307-N325 VanDerWaalsContact OD1-CA 3.27Å; D307-N325 WeakPolarHBondContact OD1-CA 2.95Å; T323-N325 WeakPolarHBondContact CG2-OD1 3.43Å; N325-F327 PolarHBondContact O-N 2.69Å; N325-F327 VanDerWaalsContact O-N 3.11Å |
| 326 | A | 85.7 | Confident | 83.4 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 13.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V306 D307 G328 Y329 I330 | V306-A326 CarbonylContact O-C 3.03Å; V306-A326 WeakPolarHBondContact O-CA 3.48Å; D307-A326 PolarHBondContact OD1-N 2.92Å; A326-G328 VanDerWaalsContact C-N 3.28Å; A326-G328 PolarHBondContact O-N 3.46Å; A326-Y329 PolarHBondContact O-N 2.73Å; A326-Y329 VanDerWaalsContact O-N 3.09Å; A326-I330 HydrophobicContact CB-CD1 4.44Å; A326-I330 WeakPolarHBondContact O-CG1 3.44Å; A326-I330 PolarHBondContact O-N 2.81Å |
| 327 | F | 88.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -26.6 | -172.5 | -168 | -107.2 | 0 | 0 | 0 | 114 | L287 F288 V306 F324 N325 I330 Q331 Y340 A349 V351 | L287-F327 HydrophobicContact CD1-CD1 4.05Å; L287-F327 HydrophobicContact CD1-CE1 4.46Å; F288-F327 HydrophobicContact CD1-CE1 4.24Å; F288-F327 HydrophobicContact CE1-CD1 4.41Å; F288-F327 AromaticContact CE1-CE1 3.74Å; F288-F327 HydrophobicContact CE1-CE1 3.74Å; F288-F327 HydrophobicContact CE1-CZ 4.39Å; V306-F327 PolarHBondContact O-N 3.36Å; F324-F327 HydrophobicContact CB-CB 3.59Å; F324-F327 HydrophobicContact CB-CD2 4.48Å; F324-F327 HydrophobicContact CB-CG 3.98Å; F324-F327 WeakPolarHBondContact O-CB 3.46Å; F324-F327 PolarHBondContact O-N 2.85Å; F324-F327 VanDerWaalsContact O-N 3.12Å; N325-F327 PolarHBondContact O-N 2.69Å; N325-F327 VanDerWaalsContact O-N 3.11Å; F327-I330 HydrophobicContact CD2-CB 4.33Å; F327-I330 HydrophobicContact CD2-CG2 4.11Å; F327-I330 HydrophobicContact CE2-CG2 4.27Å; F327-I330 PolarHBondContact O-N 2.79Å; F327-Q331 WeakPolarHBondContact O-CB 3.22Å; F327-Q331 PolarHBondContact O-N 2.95Å; F327-Y340 HydrophobicContact CE1-CD2 4.41Å; F327-A349 HydrophobicContact CD2-CB 3.77Å; F327-A349 HydrophobicContact CE2-CB 3.47Å; F327-A349 VanDerWaalsContact CE2-CB 3.47Å; F327-A349 HydrophobicContact CZ-CB 4.06Å; F327-V351 HydrophobicContact CE2-CG2 3.91Å; F327-V351 HydrophobicContact CZ-CG2 4.14Å |
| 328 | G | 82.8 | Confident | 85 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V306 A326 A332 | V306-G328 WeakPolarHBondContact O-CA 3.31Å; V306-G328 PolarHBondContact O-N 3.43Å; A326-G328 VanDerWaalsContact C-N 3.28Å; A326-G328 PolarHBondContact O-N 3.46Å; G328-A332 WeakPolarHBondContact O-CB 3.22Å; G328-A332 PolarHBondContact O-N 3.26Å |
| 329 | Y | 81.5 | Confident | 85.5 | Confident | 155 Ų | 155 | 49.3 Ų | 49.3 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 171.8 | -76.9 | -49.8 | 0 | 0 | 0 | 112.4 | V306 A326 G333 | V306-Y329 HydrophobicContact CB-CD2 3.77Å; V306-Y329 HydrophobicContact CB-CE2 3.64Å; V306-Y329 HydrophobicContact CG1-CD2 3.93Å; V306-Y329 HydrophobicContact CG1-CE2 3.26Å; A326-Y329 PolarHBondContact O-N 2.73Å; A326-Y329 VanDerWaalsContact O-N 3.09Å; Y329-G333 PolarHBondContact O-N 3.2Å |
| 330 | I | 84.1 | Confident | 85.7 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.6 | -72.4 | 162.1 | 0 | 0 | 0 | 110.5 | A326 F327 N334 V351 Y361 | A326-I330 HydrophobicContact CB-CD1 4.44Å; A326-I330 WeakPolarHBondContact O-CG1 3.44Å; A326-I330 PolarHBondContact O-N 2.81Å; F327-I330 HydrophobicContact CD2-CB 4.33Å; F327-I330 HydrophobicContact CD2-CG2 4.11Å; F327-I330 HydrophobicContact CE2-CG2 4.27Å; F327-I330 PolarHBondContact O-N 2.79Å; I330-N334 PolarHBondContact O-ND2 3.47Å; I330-V351 HydrophobicContact CG2-CG2 3.82Å; I330-Y361 HydrophobicContact CD1-CD1 3.74Å; I330-Y361 HydrophobicContact CD1-CE1 3.99Å; I330-Y361 HydrophobicContact CD1-CG 4.2Å; I330-Y361 HydrophobicContact CG1-CD1 4.36Å; I330-Y361 HydrophobicContact CG1-CE1 4.1Å; I330-Y361 HydrophobicContact CG2-CD1 4.22Å; I330-Y361 HydrophobicContact CG2-CD2 3.85Å; I330-Y361 HydrophobicContact CG2-CE1 3.8Å; I330-Y361 HydrophobicContact CG2-CE2 3.39Å; I330-Y361 HydrophobicContact CG2-CG 4.23Å |
| 331 | Q | 82.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -55.7 | 174.1 | -177.2 | -87 | 1.1 | 0 | 0 | 109.8 | E254 L287 F327 G333 N334 R337 Y340 | E254-Q331 PolarHBondContact OE1-NE2 3.47Å; E254-Q331 PolarHBondContact OE2-NE2 2.85Å; L287-Q331 HydrophobicContact CD2-CG 4.45Å; F327-Q331 WeakPolarHBondContact O-CB 3.22Å; F327-Q331 PolarHBondContact O-N 2.95Å; Q331-G333 VanDerWaalsContact C-N 3.35Å; Q331-G333 PolarHBondContact O-N 2.88Å; Q331-N334 PolarHBondContact O-N 3.3Å; Q331-R337 VanDerWaalsContact CD-NE 3.32Å; Q331-R337 VanDerWaalsContact O-CD 3.22Å; Q331-R337 WeakPolarHBondContact O-CD 3.3Å; Q331-R337 PolarHBondContact O-NE 3.36Å; Q331-R337 PolarHBondContact O-NH1 3.31Å; Q331-Y340 HydrophobicContact CG-CD1 4.31Å; Q331-Y340 HydrophobicContact CG-CD2 4.09Å; Q331-Y340 HydrophobicContact CG-CE1 4.13Å; Q331-Y340 HydrophobicContact CG-CE2 3.89Å; Q331-Y340 HydrophobicContact CG-CG 4.31Å; Q331-Y340 PolarHBondContact NE2-OH 3.38Å |
| 332 | A | 76.2 | Confident | 86 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G328 N334 R337 | G328-A332 WeakPolarHBondContact O-CB 3.22Å; G328-A332 PolarHBondContact O-N 3.26Å; A332-N334 PolarHBondContact O-N 3.07Å; A332-R337 PolarHBondContact O-NH1 2.82Å |
| 333 | G | 78.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 39 Ų | 39 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y329 Q331 | Y329-G333 PolarHBondContact O-N 3.2Å; Q331-G333 VanDerWaalsContact C-N 3.35Å; Q331-G333 PolarHBondContact O-N 2.88Å |
| 334 | N | 80.2 | Confident | 86 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | trans | -101.4 | 84.9 | 172.6 | -76.5 | -92.3 | 0 | 0 | 0 | 109.2 | I330 Q331 A332 R337 V351 R359 | I330-N334 PolarHBondContact O-ND2 3.47Å; Q331-N334 PolarHBondContact O-N 3.3Å; A332-N334 PolarHBondContact O-N 3.07Å; N334-R337 HydrophobicContact CB-CB 4.13Å; N334-R337 VanDerWaalsContact O-CB 3.23Å; N334-R337 WeakPolarHBondContact O-CB 3.18Å; N334-R337 WeakPolarHBondContact O-CD 3.25Å; N334-R337 WeakPolarHBondContact O-CG 3.43Å; N334-R337 PolarHBondContact O-N 2.87Å; N334-R337 PolarHBondContact O-NH1 2.82Å; N334-V351 HydrophobicContact CB-CG1 3.83Å; N334-R359 PolarHBondContact OD1-NH1 3.09Å | ||
| 335 | A | 73.9 | Confident | 85.9 | Confident | 92 Ų | 92 | 41.3 Ų | 41.3 | 76% | 0.76 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -58.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | R337 | A335-R337 PolarHBondContact O-N 3.2Š|
| 336 | N | 81.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 36.8 Ų | 36.8 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 49.8 | 176 | -169.7 | 8 | 0 | 0 | 0 | 112.5 | E353 E354 | N336-E353 WeakPolarHBondContact O-CA 3.41Å; N336-E354 PolarHBondContact O-N 2.79Å; N336-E354 VanDerWaalsContact OD1-CB 3.23Å; N336-E354 WeakPolarHBondContact OD1-CB 3.19Å |
| 337 | R | 86.1 | Confident | 86.3 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 143.2 | 172.8 | 63.6 | -172.4 | 168.1 | -79 | 3.5 | 110.7 | E254 Q331 A332 N334 A335 Y340 V351 A352 | E254-R337 IonicContact OE1-NE 2.88Å; E254-R337 IonicContact OE1-NH2 3.63Å; E254-R337 PolarHBondContact OE1-NH2 2.84Å; E254-R337 IonicContact OE2-CZ 2.66Å; E254-R337 IonicContact OE2-NH2 2.9Å; E254-R337 PolarHBondContact OE2-NH2 2.8Å; Q331-R337 VanDerWaalsContact CD-NE 3.32Å; Q331-R337 VanDerWaalsContact O-CD 3.22Å; Q331-R337 WeakPolarHBondContact O-CD 3.3Å; Q331-R337 PolarHBondContact O-NE 3.36Å; Q331-R337 PolarHBondContact O-NH1 3.31Å; A332-R337 PolarHBondContact O-NH1 2.82Å; N334-R337 HydrophobicContact CB-CB 4.13Å; N334-R337 VanDerWaalsContact O-CB 3.23Å; N334-R337 WeakPolarHBondContact O-CB 3.18Å; N334-R337 WeakPolarHBondContact O-CD 3.25Å; N334-R337 WeakPolarHBondContact O-CG 3.43Å; N334-R337 PolarHBondContact O-N 2.87Å; N334-R337 PolarHBondContact O-NH1 2.82Å; A335-R337 PolarHBondContact O-N 3.2Å; R337-Y340 HydrophobicContact CG-CD1 4.47Å; R337-Y340 HydrophobicContact CG-CE1 4.43Å; R337-V351 HydrophobicContact CB-CG1 3.84Å; R337-A352 CarbonylContact C-O 3.55Å; R337-A352 WeakPolarHBondContact CA-O 3.37Å |
| 338 | K | 87.7 | Confident | 86.5 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -44.6 | 176.4 | -169.6 | 179.7 | 175.2 | -163.6 | 0 | 113.9 | A34 A352 E354 E396 I397 | A34-K338 WeakPolarHBondContact O-CE 3.42Å; A34-K338 PolarHBondContact O-NZ 2.86Å; K338-A352 PolarHBondContact N-O 3.44Å; K338-E354 HydrophobicContact CB-CB 4.21Å; K338-E354 HydrophobicContact CD-CB 4.4Å; K338-E354 HydrophobicContact CD-CG 4.07Å; K338-E396 IonicContact NZ-OE1 2.67Å; K338-E396 PolarHBondContact NZ-OE1 2.93Å; K338-I397 PolarHBondContact NZ-O 3.26Å |
| 339 | Y | 91.8 | Very high | 87 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.7 | 176.6 | -55 | -81 | 0 | 0 | 0 | 110.6 | Y36 N37 A352 I397 W398 | Y36-Y339 VanDerWaalsContact O-CE1 3.32Å; Y36-Y339 WeakPolarHBondContact O-CE1 3.27Å; Y36-Y339 PolarHBondContact O-OH 2.89Å; N37-Y339 HydrophobicContact CB-CE1 4.29Å; Y339-A352 PolarHBondContact O-N 3.19Å; Y339-I397 HydrophobicContact CD2-CG2 3.92Å; Y339-I397 HydrophobicContact CE2-CB 4.25Å; Y339-I397 HydrophobicContact CE2-CG2 3.77Å; Y339-I397 WeakPolarHBondContact CE2-O 3.37Å; Y339-I397 PolarHBondContact OH-O 3.06Å; Y339-W398 VanDerWaalsContact OH-C 3.22Å; Y339-W398 WeakPolarHBondContact OH-CA 3.23Å; Y339-W398 PolarHBondContact OH-O 2.88Å |
| 340 | Y | 92.7 | Very high | 87.7 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 131 | 172.6 | 49.9 | -90.6 | 0 | 0 | 0 | 109.7 | L287 F288 F327 Q331 R337 Y350 | L287-Y340 HydrophobicContact CB-CE2 4.27Å; L287-Y340 HydrophobicContact CD2-CE2 4.44Å; L287-Y340 WeakPolarHBondContact O-CE2 3.35Å; F288-Y340 WeakPolarHBondContact CB-O 3.32Å; F288-Y340 HydrophobicContact CD1-CD2 4.36Å; F327-Y340 HydrophobicContact CE1-CD2 4.41Å; Q331-Y340 HydrophobicContact CG-CD1 4.31Å; Q331-Y340 HydrophobicContact CG-CD2 4.09Å; Q331-Y340 HydrophobicContact CG-CE1 4.13Å; Q331-Y340 HydrophobicContact CG-CE2 3.89Å; Q331-Y340 HydrophobicContact CG-CG 4.31Å; Q331-Y340 PolarHBondContact NE2-OH 3.38Å; R337-Y340 HydrophobicContact CG-CD1 4.47Å; R337-Y340 HydrophobicContact CG-CE1 4.43Å; Y340-Y350 VanDerWaalsContact CA-O 3.22Å; Y340-Y350 WeakPolarHBondContact CA-O 3.43Å; Y340-Y350 VanDerWaalsContact CB-O 3.31Å; Y340-Y350 WeakPolarHBondContact CB-O 3.42Å |
| 341 | A | 93.9 | Very high | 88.2 | Confident | 11 Ų | 11 | 26.8 Ų | 26.8 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | -158.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F288 A349 Y350 | F288-A341 HydrophobicContact CB-CB 4.27Å; F288-A341 HydrophobicContact CD2-CB 3.72Å; F288-A341 HydrophobicContact CE2-CB 4.15Å; F288-A341 HydrophobicContact CG-CB 3.94Å; A341-A349 CarbonylContact O-C 3.56Å; A341-A349 WeakPolarHBondContact O-CA 3.31Å; A341-Y350 HydrophobicContact CB-CE1 3.69Å; A341-Y350 PolarHBondContact N-O 2.71Å; A341-Y350 WeakPolarHBondContact O-CD1 3.37Å; A341-Y350 PolarHBondContact O-N 3.34Å |
| 342 | C | 94.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 170.3 | 172.4 | 68.8 | 0 | 0 | 0 | 0 | 113 | F288 F324 Y348 A349 | F288-C342 HydrophobicContact CE2-CB 4.32Å; F288-C342 HydrophobicContact CZ-CB 4.16Å; F324-C342 HydrophobicContact CE1-CB 3.89Å; F324-C342 HydrophobicContact CE2-CB 3.93Å; F324-C342 HydrophobicContact CZ-CB 3.33Å; C342-Y348 WeakPolarHBondContact CA-O 3.22Å; C342-Y348 VanDerWaalsContact CB-O 3.3Å; C342-Y348 WeakPolarHBondContact CB-O 3.41Å; C342-A349 HydrophobicContact CB-CB 4.45Å |
| 343 | A | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -61.1 | 155.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D345 C346 Y348 A402 | A343-D345 WeakPolarHBondContact CB-OD1 3.47Å; A343-D345 PolarHBondContact O-N 2.87Å; A343-C346 WeakPolarHBondContact O-CA 3.18Å; A343-C346 PolarHBondContact O-N 3.18Å; A343-Y348 HydrophobicContact CB-CD1 3.8Å; A343-Y348 HydrophobicContact CB-CD2 4.44Å; A343-Y348 HydrophobicContact CB-CE1 3.5Å; A343-Y348 HydrophobicContact CB-CE2 4.16Å; A343-Y348 HydrophobicContact CB-CG 4.26Å; A343-Y348 PolarHBondContact N-O 2.81Å; A343-A402 WeakPolarHBondContact CA-O 3.38Å | ||
| 344 | T | 91.2 | Very high | 90 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 18% | 0.184 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.2 | 175.9 | 56 | 0 | 0 | 0 | 0 | 114.2 | Y43 C292 A402 L403 | Y43-T344 HydrophobicContact CE1-CG2 3.99Å; C292-T344 WeakPolarHBondContact CB-O 3.34Å; C292-T344 PolarHBondContact SG-O 3.35Å; T344-A402 PolarHBondContact N-O 3.12Å; T344-L403 HydrophobicContact CG2-CD2 3.97Å |
| 345 | D | 90.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 26.8 Ų | 26.8 | 37% | 0.369 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.4 | 169 | 75 | -13.8 | 0 | 0 | 0 | 113.7 | A343 S347 P404 R421 | A343-D345 WeakPolarHBondContact CB-OD1 3.47Å; A343-D345 PolarHBondContact O-N 2.87Å; D345-S347 VanDerWaalsContact CG-OG 3.27Å; D345-S347 PolarHBondContact O-N 3.2Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.33Å; D345-S347 PolarHBondContact OD1-N 2.8Å; D345-S347 PolarHBondContact OD1-OG 3.47Å; D345-S347 WeakPolarHBondContact OD2-CB 3.23Å; D345-S347 PolarHBondContact OD2-OG 2.6Å; D345-P404 HydrophobicContact CB-CB 4.36Å; D345-P404 HydrophobicContact CB-CG 3.78Å; D345-P404 WeakPolarHBondContact OD2-CB 3.44Å; D345-R421 IonicContact OD1-NH2 2.71Å; D345-R421 IonicContact OD2-CZ 3.77Å; D345-R421 IonicContact OD2-NH1 2.84Å; D345-R421 IonicContact OD2-NH2 3.58Å; D345-R421 PolarHBondContact OD2-NH2 3.19Å |
| 346 | C | 90.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | trans | 58 | 11.6 | -176.1 | -58.3 | 0 | 0 | 0 | 0 | 115.7 | L310 F321 A322 F324 A343 Y348 Q363 | L310-C346 WeakPolarHBondContact CD2-SG 3.29Å; F321-C346 HydrophobicContact CE1-CB 4.43Å; A322-C346 HydrophobicContact CB-CB 4.48Å; F324-C346 HydrophobicContact CE1-CB 4.47Å; F324-C346 WeakPolarHBondContact CE1-O 3.26Å; F324-C346 HydrophobicContact CZ-CB 3.96Å; A343-C346 WeakPolarHBondContact O-CA 3.18Å; A343-C346 PolarHBondContact O-N 3.18Å; C346-Y348 VanDerWaalsContact C-N 3.25Å; C346-Y348 PolarHBondContact O-N 3.21Å; C346-Q363 PolarHBondContact O-NE2 3.02Å | ||
| 347 | S | 89.6 | Confident | 91.8 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -65.6 | -26.1 | -177 | 61.3 | 0 | 0 | 0 | 0 | 114 | D345 Q363 R421 | D345-S347 VanDerWaalsContact CG-OG 3.27Å; D345-S347 PolarHBondContact O-N 3.2Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.33Å; D345-S347 PolarHBondContact OD1-N 2.8Å; D345-S347 PolarHBondContact OD1-OG 3.47Å; D345-S347 WeakPolarHBondContact OD2-CB 3.23Å; D345-S347 PolarHBondContact OD2-OG 2.6Å; S347-Q363 PolarHBondContact O-N 2.94Å; S347-R421 PolarHBondContact OG-NH2 2.85Å |
| 348 | Y | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149 | 170.3 | 65.8 | -90.1 | 0 | 0 | 0 | 111.8 | C342 A343 C346 L360 Y361 W362 A402 L403 M407 V420 | C342-Y348 WeakPolarHBondContact CA-O 3.22Å; C342-Y348 VanDerWaalsContact CB-O 3.3Å; C342-Y348 WeakPolarHBondContact CB-O 3.41Å; A343-Y348 HydrophobicContact CB-CD1 3.8Å; A343-Y348 HydrophobicContact CB-CD2 4.44Å; A343-Y348 HydrophobicContact CB-CE1 3.5Å; A343-Y348 HydrophobicContact CB-CE2 4.16Å; A343-Y348 HydrophobicContact CB-CG 4.26Å; A343-Y348 PolarHBondContact N-O 2.81Å; C346-Y348 VanDerWaalsContact C-N 3.25Å; C346-Y348 PolarHBondContact O-N 3.21Å; Y348-L360 HydrophobicContact CD2-CB 4.44Å; Y348-L360 HydrophobicContact CD2-CD2 4.06Å; Y348-L360 HydrophobicContact CE2-CD2 3.93Å; Y348-Y361 CarbonylContact C-O 3.58Å; Y348-Y361 VanDerWaalsContact CA-O 3.3Å; Y348-Y361 WeakPolarHBondContact CA-O 3.32Å; Y348-W362 HydrophobicContact CD1-CD2 4.47Å; Y348-W362 HydrophobicContact CD1-CE3 4.08Å; Y348-W362 AromaticContact CD1-CH2 3.56Å; Y348-W362 HydrophobicContact CD1-CH2 3.56Å; Y348-W362 HydrophobicContact CD1-CZ2 4Å; Y348-W362 AromaticContact CD1-CZ3 3.61Å; Y348-W362 HydrophobicContact CD1-CZ3 3.61Å; Y348-W362 HydrophobicContact CE1-CH2 4.07Å; Y348-W362 HydrophobicContact CE1-CZ3 4.45Å; Y348-W362 HydrophobicContact CG-CD2 4.48Å; Y348-W362 HydrophobicContact CG-CE3 4.41Å; Y348-W362 HydrophobicContact CG-CH2 4.39Å; Y348-W362 HydrophobicContact CG-CZ2 4.47Å; Y348-W362 HydrophobicContact CG-CZ3 4.36Å; Y348-A402 HydrophobicContact CE2-CB 4.09Å; Y348-L403 WeakPolarHBondContact CE1-O 3.36Å; Y348-L403 PolarHBondContact OH-O 2.72Å; Y348-M407 HydrophobicContact CE2-CE 3.92Å; Y348-V420 HydrophobicContact CE1-CG2 3.74Å |
| 349 | A | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 162 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F324 F327 A341 C342 Y361 | F324-A349 HydrophobicContact CD1-CB 3.72Å; F324-A349 HydrophobicContact CE1-CB 4.07Å; F324-A349 HydrophobicContact CG-CB 4.11Å; F327-A349 HydrophobicContact CD2-CB 3.77Å; F327-A349 HydrophobicContact CE2-CB 3.47Å; F327-A349 VanDerWaalsContact CE2-CB 3.47Å; F327-A349 HydrophobicContact CZ-CB 4.06Å; A341-A349 CarbonylContact O-C 3.56Å; A341-A349 WeakPolarHBondContact O-CA 3.31Å; C342-A349 HydrophobicContact CB-CB 4.45Å; A349-Y361 PolarHBondContact N-O 3.37Å; A349-Y361 PolarHBondContact O-N 2.87Å |
| 350 | Y | 94.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 25 Ų | 25 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.2 | 174.8 | 73.8 | -94.3 | 0 | 0 | 0 | 112.6 | Y340 A341 V358 R359 I400 A402 M407 | Y340-Y350 VanDerWaalsContact CA-O 3.22Å; Y340-Y350 WeakPolarHBondContact CA-O 3.43Å; Y340-Y350 VanDerWaalsContact CB-O 3.31Å; Y340-Y350 WeakPolarHBondContact CB-O 3.42Å; A341-Y350 HydrophobicContact CB-CE1 3.69Å; A341-Y350 PolarHBondContact N-O 2.71Å; A341-Y350 WeakPolarHBondContact O-CD1 3.37Å; A341-Y350 PolarHBondContact O-N 3.34Å; Y350-V358 HydrophobicContact CD2-CG1 4.06Å; Y350-V358 HydrophobicContact CG-CG1 4.47Å; Y350-R359 CarbonylContact C-O 3.59Å; Y350-R359 WeakPolarHBondContact CA-O 3.39Å; Y350-R359 WeakPolarHBondContact CB-O 3.39Å; Y350-I400 HydrophobicContact CD2-CD1 4.33Å; Y350-I400 HydrophobicContact CE1-CG2 4.15Å; Y350-I400 HydrophobicContact CE2-CB 4.17Å; Y350-I400 HydrophobicContact CE2-CD1 3.86Å; Y350-I400 HydrophobicContact CE2-CG2 3.84Å; Y350-A402 HydrophobicContact CD1-CB 3.78Å; Y350-A402 HydrophobicContact CE1-CB 3.58Å; Y350-M407 HydrophobicContact CD1-CE 3.71Å; Y350-M407 HydrophobicContact CD2-CE 4.19Å; Y350-M407 HydrophobicContact CE1-CE 4.32Å; Y350-M407 HydrophobicContact CG-CE 3.63Å |
| 351 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.5 | 166.3 | -176 | 0 | 0 | 0 | 0 | 108.6 | F327 I330 N334 R337 R359 Y361 | F327-V351 HydrophobicContact CE2-CG2 3.91Å; F327-V351 HydrophobicContact CZ-CG2 4.14Å; I330-V351 HydrophobicContact CG2-CG2 3.82Å; N334-V351 HydrophobicContact CB-CG1 3.83Å; R337-V351 HydrophobicContact CB-CG1 3.84Å; V351-R359 PolarHBondContact N-O 2.81Å; V351-R359 PolarHBondContact O-N 2.86Å; V351-Y361 HydrophobicContact CB-CE2 4.25Å; V351-Y361 HydrophobicContact CG2-CE2 4.04Å |
| 352 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R337 K338 Y339 R357 V358 I397 I400 | R337-A352 CarbonylContact C-O 3.55Å; R337-A352 WeakPolarHBondContact CA-O 3.37Å; K338-A352 PolarHBondContact N-O 3.44Å; Y339-A352 PolarHBondContact O-N 3.19Å; A352-R357 WeakPolarHBondContact CA-O 3.18Å; A352-V358 HydrophobicContact CB-CB 4.44Å; A352-V358 HydrophobicContact CB-CG1 4.13Å; A352-V358 HydrophobicContact CB-CG2 3.87Å; A352-I397 HydrophobicContact CB-CD1 4.29Å; A352-I400 HydrophobicContact CB-CD1 3.48Å; A352-I400 VanDerWaalsContact CB-CD1 3.48Å |
| 353 | E | 92.2 | Very high | 91.5 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 14% | 0.136 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 161.3 | 161.6 | -72.8 | 173.8 | -165.7 | 0 | 0 | 109.8 | N336 K355 R357 R359 | N336-E353 WeakPolarHBondContact O-CA 3.41Å; E353-K355 WeakPolarHBondContact CB-O 3.45Å; E353-K355 PolarHBondContact O-N 2.92Å; E353-R357 HydrophobicContact CB-CB 4.24Å; E353-R357 HydrophobicContact CG-CB 4.2Å; E353-R357 PolarHBondContact N-O 3.32Å; E353-R357 IonicContact OE1-NH1 3.2Å; E353-R357 PolarHBondContact OE1-NH1 3.25Å; E353-R357 VanDerWaalsContact OE2-CD 3.3Å; E353-R357 WeakPolarHBondContact OE2-CD 3.38Å; E353-R357 WeakPolarHBondContact OE2-CG 3.39Å; E353-R357 IonicContact OE2-CZ 2.71Å; E353-R357 IonicContact OE2-NE 3.18Å; E353-R357 IonicContact OE2-NH1 3.23Å; E353-R357 PolarHBondContact OE2-NH1 2.81Å; E353-R359 IonicContact OE1-CZ 2.75Å; E353-R359 IonicContact OE1-NH1 3.59Å; E353-R359 PolarHBondContact OE1-NH1 2.82Å; E353-R359 IonicContact OE1-NH2 2.82Å; E353-R359 PolarHBondContact OE1-NH2 2.84Å |
| 354 | E | 90 | Very high | 90.5 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 17% | 0.173 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -57.2 | -33.1 | 176.3 | -174.7 | -111.9 | 164.8 | 0 | 0 | 113 | N336 K338 E396 I397 | N336-E354 PolarHBondContact O-N 2.79Å; N336-E354 VanDerWaalsContact OD1-CB 3.23Å; N336-E354 WeakPolarHBondContact OD1-CB 3.19Å; K338-E354 HydrophobicContact CB-CB 4.21Å; K338-E354 HydrophobicContact CD-CB 4.4Å; K338-E354 HydrophobicContact CD-CG 4.07Å; E354-E396 HydrophobicContact CG-CG 4.18Å; E354-I397 PolarHBondContact O-N 2.88Å |
| 355 | K | 91.2 | Very high | 89.4 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 30% | 0.3 | 16% | 0.163 | S | C | . | . | B | Isolated β-bridge | trans | -136.7 | 157.4 | 177.6 | -68.2 | 165.7 | -175.9 | 115.9 | 0 | 110 | E353 R357 E396 | E353-K355 WeakPolarHBondContact CB-O 3.45Å; E353-K355 PolarHBondContact O-N 2.92Å; K355-R357 VanDerWaalsContact C-N 3.29Å; K355-R357 PolarHBondContact O-N 2.81Å; K355-E396 HydrophobicContact CG-CB 4.38Å |
| 356 | K | 90.6 | Very high | 88.1 | Confident | 82 Ų | 82 | 40 Ų | 40 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 63 | -45.4 | 170 | -54.3 | 179.2 | -174.4 | -175.1 | 0 | 119.4 | T390 L391 Q394 | K356-T390 CarbonylContact O-C 3.53Å; K356-T390 WeakPolarHBondContact O-CA 3.43Å; K356-L391 WeakPolarHBondContact O-CG 3.47Å; K356-L391 PolarHBondContact O-N 3.18Å; K356-Q394 VanDerWaalsContact CE-CD 3.46Å |
| 357 | R | 92.2 | Very high | 86.6 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.2 | -163.1 | -58.3 | -168.3 | -172.4 | 112.7 | -9.2 | 113.6 | A352 E353 K355 M388 V389 | A352-R357 WeakPolarHBondContact CA-O 3.18Å; E353-R357 HydrophobicContact CB-CB 4.24Å; E353-R357 HydrophobicContact CG-CB 4.2Å; E353-R357 PolarHBondContact N-O 3.32Å; E353-R357 IonicContact OE1-NH1 3.2Å; E353-R357 PolarHBondContact OE1-NH1 3.25Å; E353-R357 VanDerWaalsContact OE2-CD 3.3Å; E353-R357 WeakPolarHBondContact OE2-CD 3.38Å; E353-R357 WeakPolarHBondContact OE2-CG 3.39Å; E353-R357 IonicContact OE2-CZ 2.71Å; E353-R357 IonicContact OE2-NE 3.18Å; E353-R357 IonicContact OE2-NH1 3.23Å; E353-R357 PolarHBondContact OE2-NH1 2.81Å; K355-R357 VanDerWaalsContact C-N 3.29Å; K355-R357 PolarHBondContact O-N 2.81Å; R357-M388 HydrophobicContact CG-SD 4.49Å; R357-V389 WeakPolarHBondContact CA-O 3.2Å |
| 358 | V | 94 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.1 | 164.6 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | Y350 A352 L360 M388 V389 I397 I400 M407 I409 | Y350-V358 HydrophobicContact CD2-CG1 4.06Å; Y350-V358 HydrophobicContact CG-CG1 4.47Å; A352-V358 HydrophobicContact CB-CB 4.44Å; A352-V358 HydrophobicContact CB-CG1 4.13Å; A352-V358 HydrophobicContact CB-CG2 3.87Å; V358-L360 HydrophobicContact CG1-CD2 4.34Å; V358-M388 CarbonylContact O-C 3.58Å; V358-M388 WeakPolarHBondContact O-CA 3.15Å; V358-V389 HydrophobicContact CB-CB 4.2Å; V358-V389 HydrophobicContact CB-CG2 4.46Å; V358-V389 PolarHBondContact N-O 2.91Å; V358-V389 VanDerWaalsContact N-O 3.07Å; V358-V389 PolarHBondContact O-N 2.63Å; V358-I397 HydrophobicContact CG2-CD1 3.82Å; V358-I400 HydrophobicContact CG1-CD1 4.34Å; V358-I400 HydrophobicContact CG2-CD1 3.99Å; V358-M407 HydrophobicContact CB-SD 4.42Å; V358-M407 HydrophobicContact CG1-CE 4.13Å; V358-M407 HydrophobicContact CG1-SD 3.8Å; V358-I409 HydrophobicContact CG2-CD1 3.75Å |
| 359 | R | 92.6 | Very high | 83.9 | Confident | 43 Ų | 43 | 54 Ų | 54 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.4 | 176 | -63.5 | -179.3 | -178.1 | 76.6 | 10.5 | 109.3 | N334 Y350 V351 E353 Y361 Q387 M388 | N334-R359 PolarHBondContact OD1-NH1 3.09Å; Y350-R359 CarbonylContact C-O 3.59Å; Y350-R359 WeakPolarHBondContact CA-O 3.39Å; Y350-R359 WeakPolarHBondContact CB-O 3.39Å; V351-R359 PolarHBondContact N-O 2.81Å; V351-R359 PolarHBondContact O-N 2.86Å; E353-R359 IonicContact OE1-CZ 2.75Å; E353-R359 IonicContact OE1-NH1 3.59Å; E353-R359 PolarHBondContact OE1-NH1 2.82Å; E353-R359 IonicContact OE1-NH2 2.82Å; E353-R359 PolarHBondContact OE1-NH2 2.84Å; R359-Y361 HydrophobicContact CB-CD2 4.41Å; R359-Y361 HydrophobicContact CB-CE2 3.5Å; R359-Y361 WeakPolarHBondContact CD-OH 3.3Å; R359-Q387 CarbonylContact C-O 3.56Å; R359-Q387 WeakPolarHBondContact CA-O 3.46Å; R359-M388 HydrophobicContact CG-CG 4.31Å |
| 360 | L | 93 | Very high | 82.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.3 | 174.7 | -49.1 | -179.9 | 0 | 0 | 0 | 108.9 | L4 Y348 V358 Q386 Q387 M407 V420 | L4-L360 HydrophobicContact CD1-CD1 3.86Å; Y348-L360 HydrophobicContact CD2-CB 4.44Å; Y348-L360 HydrophobicContact CD2-CD2 4.06Å; Y348-L360 HydrophobicContact CE2-CD2 3.93Å; V358-L360 HydrophobicContact CG1-CD2 4.34Å; L360-Q386 CarbonylContact O-C 3.59Å; L360-Q386 VanDerWaalsContact O-CA 3.22Å; L360-Q386 WeakPolarHBondContact O-CA 3.13Å; L360-Q387 HydrophobicContact CB-CB 4.32Å; L360-Q387 HydrophobicContact CD1-CB 4.44Å; L360-Q387 PolarHBondContact N-O 3.47Å; L360-Q387 PolarHBondContact O-N 3.45Å; L360-M407 HydrophobicContact CD2-CE 3.5Å; L360-M407 HydrophobicContact CD2-SD 4.01Å; L360-V420 HydrophobicContact CD1-CB 3.99Å; L360-V420 HydrophobicContact CD1-CG1 3.64Å |
| 361 | Y | 91.3 | Very high | 81.2 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 97.4 | -177.6 | -62.1 | -85.3 | 0 | 0 | 0 | 108.8 | I330 Y348 A349 V351 R359 Q386 | I330-Y361 HydrophobicContact CD1-CD1 3.74Å; I330-Y361 HydrophobicContact CD1-CE1 3.99Å; I330-Y361 HydrophobicContact CD1-CG 4.2Å; I330-Y361 HydrophobicContact CG1-CD1 4.36Å; I330-Y361 HydrophobicContact CG1-CE1 4.1Å; I330-Y361 HydrophobicContact CG2-CD1 4.22Å; I330-Y361 HydrophobicContact CG2-CD2 3.85Å; I330-Y361 HydrophobicContact CG2-CE1 3.8Å; I330-Y361 HydrophobicContact CG2-CE2 3.39Å; I330-Y361 HydrophobicContact CG2-CG 4.23Å; Y348-Y361 CarbonylContact C-O 3.58Å; Y348-Y361 VanDerWaalsContact CA-O 3.3Å; Y348-Y361 WeakPolarHBondContact CA-O 3.32Å; A349-Y361 PolarHBondContact N-O 3.37Å; A349-Y361 PolarHBondContact O-N 2.87Å; V351-Y361 HydrophobicContact CB-CE2 4.25Å; V351-Y361 HydrophobicContact CG2-CE2 4.04Å; R359-Y361 HydrophobicContact CB-CD2 4.41Å; R359-Y361 HydrophobicContact CB-CE2 3.5Å; R359-Y361 WeakPolarHBondContact CD-OH 3.3Å; Y361-Q386 HydrophobicContact CD1-CB 4.31Å; Y361-Q386 HydrophobicContact CE1-CB 4.38Å |
| 362 | W | 88.6 | Confident | 80 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.6 | -177.3 | -66.1 | 89.1 | 0 | 0 | 0 | 111.6 | Y348 V385 V420 R421 | Y348-W362 HydrophobicContact CD1-CD2 4.47Å; Y348-W362 HydrophobicContact CD1-CE3 4.08Å; Y348-W362 AromaticContact CD1-CH2 3.56Å; Y348-W362 HydrophobicContact CD1-CH2 3.56Å; Y348-W362 HydrophobicContact CD1-CZ2 4Å; Y348-W362 AromaticContact CD1-CZ3 3.61Å; Y348-W362 HydrophobicContact CD1-CZ3 3.61Å; Y348-W362 HydrophobicContact CE1-CH2 4.07Å; Y348-W362 HydrophobicContact CE1-CZ3 4.45Å; Y348-W362 HydrophobicContact CG-CD2 4.48Å; Y348-W362 HydrophobicContact CG-CE3 4.41Å; Y348-W362 HydrophobicContact CG-CH2 4.39Å; Y348-W362 HydrophobicContact CG-CZ2 4.47Å; Y348-W362 HydrophobicContact CG-CZ3 4.36Å; W362-V385 HydrophobicContact CB-CB 4.33Å; W362-V385 PolarHBondContact N-O 3.32Å; W362-V420 HydrophobicContact CZ2-CB 4.38Å; W362-R421 HydrophobicContact CH2-CB 4.28Å |
| 363 | Q | 80.9 | Confident | 78.6 | Confident | 63 Ų | 63 | 68 Ų | 68 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 153.4 | 170.5 | -69.1 | -168.9 | -4.4 | 0 | 0 | 111 | C346 S347 H365 | C346-Q363 PolarHBondContact O-NE2 3.02Å; S347-Q363 PolarHBondContact O-N 2.94Å; Q363-H365 PolarHBondContact O-N 3.09Å |
| 364 | P | 72.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 92.1 | -176 | -18.4 | 32.6 | 0 | 0 | 0 | 112.9 | T382 A384 | P364-T382 HydrophobicContact CB-CG2 4.44Å; P364-A384 HydrophobicContact CG-CB 4.42Å |
| 365 | H | 67.9 | Low | 76.8 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.9 | 172.2 | -64.8 | -63 | 0 | 0 | 0 | 111.6 | Q363 T382 R383 | Q363-H365 PolarHBondContact O-N 3.09Å; H365-T382 VanDerWaalsContact O-CA 3.3Å; H365-T382 WeakPolarHBondContact O-CA 3.41Å; H365-T382 WeakPolarHBondContact O-CB 3.32Å; H365-R383 PolarHBondContact O-N 3.17Å |
| 366 | K | 63 | Low | 76.2 | Confident | 167 Ų | 167 | 87.1 Ų | 87.1 | 73% | 0.726 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 134.8 | 170.1 | -72.6 | -166.9 | 174.5 | -166 | 0 | 110.4 | E381 T382 | K366-E381 WeakPolarHBondContact CA-O 3.36Å; K366-T382 HydrophobicContact CG-CG2 4.26Å |
| 367 | L | 59.2 | Low | 75.5 | Confident | 57 Ų | 57 | 86 Ų | 86 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.1 | 179.4 | -66.1 | 164.2 | 0 | 0 | 0 | 110.3 | S369 L371 V380 E381 R383 | L367-S369 WeakPolarHBondContact CB-O 3.38Å; L367-S369 PolarHBondContact O-N 3.26Å; L367-S369 VanDerWaalsContact O-N 3.07Å; L367-L371 HydrophobicContact CD1-CB 4.45Å; L367-L371 HydrophobicContact CD1-CD1 3.68Å; L367-L371 HydrophobicContact CD1-CG 3.97Å; L367-V380 WeakPolarHBondContact CD1-O 3.39Å; L367-E381 PolarHBondContact N-O 3.36Å; L367-R383 HydrophobicContact CD1-CB 4.07Å; L367-R383 HydrophobicContact CD2-CB 4.11Å; L367-R383 HydrophobicContact CG-CB 4.4Å |
| 368 | N | 62.5 | Low | 74.7 | Confident | 179 Ų | 179 | 86.9 Ų | 86.9 | 96% | 0.957 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -6.3 | 173.1 | -68.7 | -6.6 | 0 | 0 | 0 | 113.3 | ||
| 369 | S | 61.8 | Low | 73.6 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | 178 | 61.6 | 0 | 0 | 0 | 0 | 110 | L367 L371 | L367-S369 WeakPolarHBondContact CB-O 3.38Å; L367-S369 PolarHBondContact O-N 3.26Å; L367-S369 VanDerWaalsContact O-N 3.07Å; S369-L371 PolarHBondContact O-N 2.85Å; S369-L371 VanDerWaalsContact O-N 3.1Å |
| 370 | V | 66.3 | Low | 72.3 | Confident | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 109.2 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | K379 | V370-K379 HydrophobicContact CG1-CB 3.88Å; V370-K379 HydrophobicContact CG1-CD 3.76Å; V370-K379 HydrophobicContact CG1-CG 3.59Å |
| 371 | L | 65.7 | Low | 70.8 | Confident | 78 Ų | 78 | 99.7 Ų | 99.7 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.4 | 165.3 | -66.7 | -178.9 | 0 | 0 | 0 | 108.8 | L367 S369 K379 V380 | L367-L371 HydrophobicContact CD1-CB 4.45Å; L367-L371 HydrophobicContact CD1-CD1 3.68Å; L367-L371 HydrophobicContact CD1-CG 3.97Å; S369-L371 PolarHBondContact O-N 2.85Å; S369-L371 VanDerWaalsContact O-N 3.1Å; L371-K379 CarbonylContact O-C 3.59Å; L371-V380 HydrophobicContact CB-CB 4.13Å; L371-V380 PolarHBondContact O-N 3.13Å |
| 372 | T | 70.4 | Confident | 69.5 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.3 | 173.8 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | R374 G377 E378 | T372-R374 PolarHBondContact O-N 2.92Å; T372-R374 VanDerWaalsContact O-N 3.13Å; T372-G377 WeakPolarHBondContact CG2-O 3.13Å; T372-E378 CarbonylContact C-O 3.57Å; T372-E378 WeakPolarHBondContact CA-O 3.39Å |
| 373 | N | 65.3 | Low | 68.3 | Low | 54 Ų | 54 | 107.1 Ų | 107.1 | 29% | 0.289 | 53% | 0.533 | S | S | . | . | trans | -65.9 | 110.5 | 174.4 | -178.2 | -19.7 | 0 | 0 | 0 | 109.6 | R375 T376 G377 E378 V380 | N373-R375 PolarHBondContact O-N 2.85Å; N373-R375 PolarHBondContact OD1-N 3.45Å; N373-T376 WeakPolarHBondContact CB-OG1 3.28Å; N373-T376 PolarHBondContact ND2-OG1 2.92Å; N373-T376 VanDerWaalsContact ND2-OG1 3.14Å; N373-T376 PolarHBondContact O-N 2.86Å; N373-G377 PolarHBondContact O-N 2.89Å; N373-E378 HydrophobicContact CB-CB 4.32Å; N373-E378 PolarHBondContact N-O 3.41Å; N373-V380 HydrophobicContact CB-CG2 4.06Å | ||
| 374 | R | 68.9 | Low | 67.7 | Low | 256 Ų | 256 | 107.4 Ų | 107.4 | 97% | 0.966 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.3 | -176.9 | -66.8 | -175.5 | 179.4 | -179.1 | -0.5 | 114.4 | T372 | T372-R374 PolarHBondContact O-N 2.92Å; T372-R374 VanDerWaalsContact O-N 3.13Å |
| 375 | R | 74 | Confident | 68 | Low | 214 Ų | 214 | 106.4 Ų | 106.4 | 81% | 0.808 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -29.3 | 179.7 | -166.4 | -178.4 | 69.5 | 83.9 | -1.2 | 113.6 | N373 | N373-R375 PolarHBondContact O-N 2.85Å; N373-R375 PolarHBondContact OD1-N 3.45Å |
| 376 | T | 78.9 | Confident | 68.8 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -11.5 | -174.1 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | N373 E378 | N373-T376 WeakPolarHBondContact CB-OG1 3.28Å; N373-T376 PolarHBondContact ND2-OG1 2.92Å; N373-T376 VanDerWaalsContact ND2-OG1 3.14Å; N373-T376 PolarHBondContact O-N 2.86Å; T376-E378 PolarHBondContact O-N 3.01Å; T376-E378 WeakPolarHBondContact OG1-CB 3.37Å; T376-E378 PolarHBondContact OG1-N 2.89Å; T376-E378 PolarHBondContact OG1-OE2 3.37Å |
| 377 | G | 75.4 | Confident | 70 | Confident | 58 Ų | 58 | 100.9 Ų | 100.9 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | trans | 73 | 0.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | T372 N373 | T372-G377 WeakPolarHBondContact CG2-O 3.13Å; N373-G377 PolarHBondContact O-N 2.89Å | ||
| 378 | E | 76.5 | Confident | 71.4 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | trans | -73.8 | 143.3 | -174.3 | -173.5 | 177.5 | -164.4 | 0 | 0 | 112.7 | T372 N373 T376 V380 | T372-E378 CarbonylContact C-O 3.57Å; T372-E378 WeakPolarHBondContact CA-O 3.39Å; N373-E378 HydrophobicContact CB-CB 4.32Å; N373-E378 PolarHBondContact N-O 3.41Å; T376-E378 PolarHBondContact O-N 3.01Å; T376-E378 WeakPolarHBondContact OG1-CB 3.37Å; T376-E378 PolarHBondContact OG1-N 2.89Å; T376-E378 PolarHBondContact OG1-OE2 3.37Å; E378-V380 PolarHBondContact O-N 3.26Å | ||
| 379 | K | 71.4 | Confident | 72.7 | Confident | 141 Ų | 141 | 94.4 Ų | 94.4 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 109.5 | 175.4 | -68.6 | -175.6 | 175.9 | 179.5 | 0 | 110.1 | V370 L371 E381 | V370-K379 HydrophobicContact CG1-CB 3.88Å; V370-K379 HydrophobicContact CG1-CD 3.76Å; V370-K379 HydrophobicContact CG1-CG 3.59Å; L371-K379 CarbonylContact O-C 3.59Å; K379-E381 PolarHBondContact O-N 3.03Å |
| 380 | V | 65.5 | Low | 74.2 | Confident | 51 Ų | 51 | 94.5 Ų | 94.5 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 97.5 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 108 | L367 L371 N373 E378 T382 | L367-V380 WeakPolarHBondContact CD1-O 3.39Å; L371-V380 HydrophobicContact CB-CB 4.13Å; L371-V380 PolarHBondContact O-N 3.13Å; N373-V380 HydrophobicContact CB-CG2 4.06Å; E378-V380 PolarHBondContact O-N 3.26Å; V380-T382 WeakPolarHBondContact CG1-O 3.42Å |
| 381 | E | 61.5 | Low | 75.3 | Confident | 119 Ų | 119 | 90.5 Ų | 90.5 | 56% | 0.556 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -19.5 | -179 | -61.6 | -163.7 | 167.3 | 0 | 0 | 114 | K366 L367 K379 | K366-E381 WeakPolarHBondContact CA-O 3.36Å; L367-E381 PolarHBondContact N-O 3.36Å; K379-E381 PolarHBondContact O-N 3.03Å |
| 382 | T | 63.4 | Low | 76.2 | Confident | 60 Ų | 60 | 92.7 Ų | 92.7 | 37% | 0.368 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.3 | -180 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | P364 H365 K366 V380 | P364-T382 HydrophobicContact CB-CG2 4.44Å; H365-T382 VanDerWaalsContact O-CA 3.3Å; H365-T382 WeakPolarHBondContact O-CA 3.41Å; H365-T382 WeakPolarHBondContact O-CB 3.32Å; K366-T382 HydrophobicContact CG-CG2 4.26Å; V380-T382 WeakPolarHBondContact CG1-O 3.42Å |
| 383 | R | 63.8 | Low | 76.9 | Confident | 154 Ų | 154 | 89.4 Ų | 89.4 | 58% | 0.581 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.3 | 172.5 | 175.6 | 176.5 | 177.4 | -167.7 | 0 | 109.7 | H365 L367 V385 | H365-R383 PolarHBondContact O-N 3.17Å; L367-R383 HydrophobicContact CD1-CB 4.07Å; L367-R383 HydrophobicContact CD2-CB 4.11Å; L367-R383 HydrophobicContact CG-CB 4.4Å; R383-V385 HydrophobicContact CG-CG2 4.24Å; R383-V385 PolarHBondContact O-N 2.88Å |
| 384 | A | 67.1 | Low | 77.9 | Confident | 69 Ų | 69 | 92.6 Ų | 92.6 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P364 | P364-A384 HydrophobicContact CG-CB 4.42Å |
| 385 | V | 79.7 | Confident | 79 | Confident | 36 Ų | 36 | 82.2 Ų | 82.2 | 22% | 0.218 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.4 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | M1 W362 R383 | M1-V385 HydrophobicContact CE-CG1 3.77Å; M1-V385 HydrophobicContact CG-CG1 4.19Å; W362-V385 HydrophobicContact CB-CB 4.33Å; W362-V385 PolarHBondContact N-O 3.32Å; R383-V385 HydrophobicContact CG-CG2 4.24Å; R383-V385 PolarHBondContact O-N 2.88Å |
| 386 | Q | 84.8 | Confident | 79.8 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.1 | 166 | 62.1 | 176.5 | -24.7 | 0 | 0 | 110.7 | L360 Y361 | L360-Q386 CarbonylContact O-C 3.59Å; L360-Q386 VanDerWaalsContact O-CA 3.22Å; L360-Q386 WeakPolarHBondContact O-CA 3.13Å; Y361-Q386 HydrophobicContact CD1-CB 4.31Å; Y361-Q386 HydrophobicContact CE1-CB 4.38Å |
| 387 | Q | 87.7 | Confident | 80.5 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 162.3 | 168.1 | -74.8 | 173.2 | -55.4 | 0 | 0 | 109.3 | M1 L4 R359 L360 | M1-Q387 HydrophobicContact CE-CG 4.3Å; M1-Q387 PolarHBondContact SD-NE2 2.75Å; M1-Q387 VanDerWaalsContact SD-NE2 3.36Å; L4-Q387 HydrophobicContact CD1-CB 4.38Å; L4-Q387 VanDerWaalsContact CD2-NE2 3.29Å; R359-Q387 CarbonylContact C-O 3.56Å; R359-Q387 WeakPolarHBondContact CA-O 3.46Å; L360-Q387 HydrophobicContact CB-CB 4.32Å; L360-Q387 HydrophobicContact CD1-CB 4.44Å; L360-Q387 PolarHBondContact N-O 3.47Å; L360-Q387 PolarHBondContact O-N 3.45Å |
| 388 | M | 90 | Very high | 81.3 | Confident | 96 Ų | 96 | 69 Ų | 69 | 47% | 0.473 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 114.9 | 178 | -174.7 | 176 | 77 | 0 | 0 | 109.8 | R357 V358 R359 | R357-M388 HydrophobicContact CG-SD 4.49Å; V358-M388 CarbonylContact O-C 3.58Å; V358-M388 WeakPolarHBondContact O-CA 3.15Å; R359-M388 HydrophobicContact CG-CG 4.31Å |
| 389 | V | 89.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 132.8 | 162.3 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | L4 R357 V358 L391 I409 V418 | L4-V389 HydrophobicContact CD1-CG2 3.88Å; R357-V389 WeakPolarHBondContact CA-O 3.2Å; V358-V389 HydrophobicContact CB-CB 4.2Å; V358-V389 HydrophobicContact CB-CG2 4.46Å; V358-V389 PolarHBondContact N-O 2.91Å; V358-V389 VanDerWaalsContact N-O 3.07Å; V358-V389 PolarHBondContact O-N 2.63Å; V389-L391 HydrophobicContact CG1-CD2 3.91Å; V389-I409 HydrophobicContact CG1-CD1 4.33Å; V389-V418 HydrophobicContact CG1-CG2 3.94Å; V389-V418 HydrophobicContact CG2-CG1 3.92Å; V389-V418 HydrophobicContact CG2-CG2 4.31Å |
| 390 | T | 91.4 | Very high | 83.2 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.8 | 165.6 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | K356 | K356-T390 CarbonylContact O-C 3.53Å; K356-T390 WeakPolarHBondContact O-CA 3.43Å |
| 391 | L | 89.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -74.8 | 147.1 | 175.9 | -50.8 | 179.1 | 0 | 0 | 0 | 109.6 | K356 V389 N393 I397 I409 T411 I416 | K356-L391 WeakPolarHBondContact O-CG 3.47Å; K356-L391 PolarHBondContact O-N 3.18Å; V389-L391 HydrophobicContact CG1-CD2 3.91Å; L391-N393 WeakPolarHBondContact CB-OD1 3.28Å; L391-I397 HydrophobicContact CD1-CD1 3.95Å; L391-I397 HydrophobicContact CD1-CG1 3.92Å; L391-I409 HydrophobicContact CD1-CG2 4.18Å; L391-I409 HydrophobicContact CD2-CD1 3.98Å; L391-T411 HydrophobicContact CD1-CG2 4.13Å; L391-I416 HydrophobicContact CD1-CD1 4.36Å; L391-I416 HydrophobicContact CD2-CD1 3.93Å; L391-I416 HydrophobicContact CD2-CG2 4.17Å | ||
| 392 | N | 85.8 | Confident | 86 | Confident | 124 Ų | 124 | 49.5 Ų | 49.5 | 66% | 0.663 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -76.4 | -30.4 | -178.9 | -62.3 | -61.4 | 0 | 0 | 0 | 112.2 | E8 | E8-N392 PolarHBondContact OE1-ND2 3.32Š|
| 393 | N | 83.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -82.6 | 162.4 | 179.8 | 55.7 | 0.8 | 0 | 0 | 0 | 113 | L391 E395 T411 | L391-N393 WeakPolarHBondContact CB-OD1 3.28Å; N393-E395 VanDerWaalsContact C-N 3.32Å; N393-E395 HydrophobicContact CB-CB 4.32Å; N393-E395 HydrophobicContact CB-CG 4.08Å; N393-E395 WeakPolarHBondContact CB-OE1 3.36Å; N393-E395 PolarHBondContact ND2-OE1 3.27Å; N393-T411 PolarHBondContact ND2-OG1 2.96Å |
| 394 | Q | 87.4 | Confident | 88.4 | Confident | 122 Ų | 122 | 41 Ų | 41 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | trans | -92.6 | 2.1 | 172.5 | -48.9 | -59 | -85 | 0 | 0 | 112 | K356 | K356-Q394 VanDerWaalsContact CE-CD 3.46Š| ||
| 395 | E | 91.2 | Very high | 89.3 | Confident | 38 Ų | 38 | 40.9 Ų | 40.9 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 147.1 | -173.5 | -66.3 | 163.6 | -113.2 | 0 | 0 | 111.3 | N393 T411 S413 R414 | N393-E395 VanDerWaalsContact C-N 3.32Å; N393-E395 HydrophobicContact CB-CB 4.32Å; N393-E395 HydrophobicContact CB-CG 4.08Å; N393-E395 WeakPolarHBondContact CB-OE1 3.36Å; N393-E395 PolarHBondContact ND2-OE1 3.27Å; E395-T411 HydrophobicContact CB-CG2 4.26Å; E395-S413 PolarHBondContact OE1-OG 3.29Å; E395-S413 VanDerWaalsContact OE1-OG 3.14Å; E395-S413 WeakPolarHBondContact OE2-CB 3.3Å; E395-S413 PolarHBondContact OE2-N 2.71Å; E395-S413 PolarHBondContact OE2-OG 2.87Å; E395-R414 IonicContact OE1-CZ 2.76Å; E395-R414 IonicContact OE1-NH1 3.84Å; E395-R414 PolarHBondContact OE1-NH1 2.92Å |
| 396 | E | 91.6 | Very high | 89.7 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 137.2 | 174 | -171.5 | -165.9 | 165.4 | 0 | 0 | 109.9 | K17 K338 E354 K355 W398 T411 | K17-E396 IonicContact NZ-OE1 3.76Å; K17-E396 PolarHBondContact NZ-OE1 3Å; K17-E396 IonicContact NZ-OE2 3.85Å; K17-E396 PolarHBondContact NZ-OE2 2.91Å; K338-E396 IonicContact NZ-OE1 2.67Å; K338-E396 PolarHBondContact NZ-OE1 2.93Å; E354-E396 HydrophobicContact CG-CG 4.18Å; K355-E396 HydrophobicContact CG-CB 4.38Å; E396-W398 PolarHBondContact O-N 3.05Å; E396-W398 PolarHBondContact OE2-NE1 3.11Å; E396-T411 WeakPolarHBondContact O-CA 3.49Å |
| 397 | I | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 126.3 | 170.6 | -60.5 | 179.4 | 0 | 0 | 0 | 107.6 | K338 Y339 A352 E354 V358 L391 I400 I409 L410 | K338-I397 PolarHBondContact NZ-O 3.26Å; Y339-I397 HydrophobicContact CD2-CG2 3.92Å; Y339-I397 HydrophobicContact CE2-CB 4.25Å; Y339-I397 HydrophobicContact CE2-CG2 3.77Å; Y339-I397 WeakPolarHBondContact CE2-O 3.37Å; Y339-I397 PolarHBondContact OH-O 3.06Å; A352-I397 HydrophobicContact CB-CD1 4.29Å; E354-I397 PolarHBondContact O-N 2.88Å; V358-I397 HydrophobicContact CG2-CD1 3.82Å; L391-I397 HydrophobicContact CD1-CD1 3.95Å; L391-I397 HydrophobicContact CD1-CG1 3.92Å; I397-I400 HydrophobicContact CG2-CD1 4.07Å; I397-I400 HydrophobicContact CG2-CG1 3.81Å; I397-I409 HydrophobicContact CB-CG2 4.5Å; I397-I409 HydrophobicContact CD1-CG2 4.07Å; I397-I409 HydrophobicContact CG1-CG2 4.05Å; I397-I409 HydrophobicContact CG2-CG2 3.76Å; I397-L410 CarbonylContact C-O 3.6Å; I397-L410 WeakPolarHBondContact CA-O 3.5Å |
| 398 | W | 92 | Very high | 90.2 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | trans | -111.2 | -4.6 | 179.8 | -70.1 | -3.8 | 0 | 0 | 0 | 113.6 | A15 K17 G38 Y339 E396 L410 E412 | A15-W398 HydrophobicContact CB-CE3 3.68Å; A15-W398 HydrophobicContact CB-CZ3 3.82Å; A15-W398 VanDerWaalsContact O-CZ3 3.26Å; A15-W398 WeakPolarHBondContact O-CZ3 3.38Å; K17-W398 HydrophobicContact CB-CD2 3.88Å; K17-W398 HydrophobicContact CB-CE3 3.95Å; K17-W398 HydrophobicContact CB-CH2 4.05Å; K17-W398 HydrophobicContact CB-CZ2 3.96Å; K17-W398 HydrophobicContact CB-CZ3 4.05Å; K17-W398 HydrophobicContact CD-CD2 4.18Å; K17-W398 HydrophobicContact CD-CG 4.33Å; K17-W398 HydrophobicContact CD-CZ2 4.08Å; G38-W398 PolarHBondContact N-O 3.29Å; Y339-W398 VanDerWaalsContact OH-C 3.22Å; Y339-W398 WeakPolarHBondContact OH-CA 3.23Å; Y339-W398 PolarHBondContact OH-O 2.88Å; E396-W398 PolarHBondContact O-N 3.05Å; E396-W398 PolarHBondContact OE2-NE1 3.11Å; W398-L410 HydrophobicContact CB-CD2 4.27Å; W398-L410 HydrophobicContact CB-CG 4.37Å; W398-L410 PolarHBondContact N-O 2.81Å; W398-E412 HydrophobicContact CE3-CB 4.4Å; W398-E412 HydrophobicContact CH2-CB 3.58Å; W398-E412 HydrophobicContact CH2-CG 3.48Å; W398-E412 VanDerWaalsContact CH2-CG 3.48Å; W398-E412 HydrophobicContact CZ2-CB 3.84Å; W398-E412 HydrophobicContact CZ2-CG 4.16Å; W398-E412 HydrophobicContact CZ3-CB 3.86Å; W398-E412 HydrophobicContact CZ3-CG 3.88Å | ||
| 399 | G | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 155.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N37 L410 | N37-G399 WeakPolarHBondContact OD1-CA 3.22Å; G399-L410 PolarHBondContact N-O 2.77Å; G399-L410 PolarHBondContact O-N 3.01Å |
| 400 | I | 95 | Very high | 90.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138 | 176.6 | -61.5 | -175 | 0 | 0 | 0 | 110.2 | N37 Y350 A352 V358 I397 M407 F408 I409 | N37-I400 PolarHBondContact ND2-O 2.92Å; N37-I400 PolarHBondContact OD1-N 3.24Å; N37-I400 VanDerWaalsContact OD1-N 3.08Å; Y350-I400 HydrophobicContact CD2-CD1 4.33Å; Y350-I400 HydrophobicContact CE1-CG2 4.15Å; Y350-I400 HydrophobicContact CE2-CB 4.17Å; Y350-I400 HydrophobicContact CE2-CD1 3.86Å; Y350-I400 HydrophobicContact CE2-CG2 3.84Å; A352-I400 HydrophobicContact CB-CD1 3.48Å; A352-I400 VanDerWaalsContact CB-CD1 3.48Å; V358-I400 HydrophobicContact CG1-CD1 4.34Å; V358-I400 HydrophobicContact CG2-CD1 3.99Å; I397-I400 HydrophobicContact CG2-CD1 4.07Å; I397-I400 HydrophobicContact CG2-CG1 3.81Å; I400-M407 HydrophobicContact CG2-CE 4.05Å; I400-M407 HydrophobicContact CG2-CG 4.03Å; I400-M407 HydrophobicContact CG2-SD 4.16Å; I400-F408 CarbonylContact C-O 3.5Å; I400-F408 VanDerWaalsContact CA-O 3.32Å; I400-F408 WeakPolarHBondContact CA-O 3.31Å; I400-I409 HydrophobicContact CD1-CG1 4.48Å; I400-I409 HydrophobicContact CG1-CG1 4.3Å; I400-I409 HydrophobicContact CG1-CG2 4.29Å |
| 401 | V | 91.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120 | 166.8 | 169.3 | 0 | 0 | 0 | 0 | 108 | L39 Y41 L51 L403 M407 F408 | L39-V401 HydrophobicContact CB-CG2 4.42Å; L39-V401 HydrophobicContact CD2-CB 4.28Å; L39-V401 HydrophobicContact CD2-CG2 4.07Å; L39-V401 HydrophobicContact CG-CG2 3.87Å; Y41-V401 HydrophobicContact CD2-CG1 3.93Å; Y41-V401 HydrophobicContact CG-CG1 4.03Å; L51-V401 HydrophobicContact CD2-CB 3.98Å; L51-V401 HydrophobicContact CD2-CG1 4.06Å; L51-V401 HydrophobicContact CD2-CG2 3.93Å; V401-L403 HydrophobicContact CG1-CD2 3.71Å; V401-L403 HydrophobicContact CG1-CG 4.02Å; V401-M407 WeakPolarHBondContact O-CA 3.3Å; V401-F408 HydrophobicContact CB-CB 4.43Å; V401-F408 PolarHBondContact N-O 2.93Å; V401-F408 PolarHBondContact O-N 3.45Å |
| 402 | A | 94 | Very high | 90.6 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A343 T344 Y348 Y350 M407 | A343-A402 WeakPolarHBondContact CA-O 3.38Å; T344-A402 PolarHBondContact N-O 3.12Å; Y348-A402 HydrophobicContact CE2-CB 4.09Å; Y350-A402 HydrophobicContact CD1-CB 3.78Å; Y350-A402 HydrophobicContact CE1-CB 3.58Å; A402-M407 HydrophobicContact CB-CE 3.99Å |
| 403 | L | 89.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -110 | 170.6 | 174.6 | -47 | -177.7 | 0 | 0 | 0 | 109.7 | Y41 H49 T344 Y348 V401 D405 F406 F408 | Y41-L403 HydrophobicContact CD1-CD2 4.37Å; Y41-L403 HydrophobicContact CD2-CD1 4.19Å; Y41-L403 HydrophobicContact CD2-CD2 4.31Å; Y41-L403 HydrophobicContact CE1-CD2 4.23Å; Y41-L403 HydrophobicContact CE2-CD1 3.49Å; Y41-L403 VanDerWaalsContact CE2-CD1 3.49Å; Y41-L403 HydrophobicContact CE2-CD2 4.16Å; Y41-L403 HydrophobicContact CE2-CG 4.43Å; Y41-L403 HydrophobicContact CG-CD2 4.42Å; H49-L403 HydrophobicContact CB-CD1 4.47Å; H49-L403 VanDerWaalsContact ND1-CD1 3.33Å; H49-L403 WeakPolarHBondContact ND1-CD1 3.13Å; T344-L403 HydrophobicContact CG2-CD2 3.97Å; Y348-L403 WeakPolarHBondContact CE1-O 3.36Å; Y348-L403 PolarHBondContact OH-O 2.72Å; V401-L403 HydrophobicContact CG1-CD2 3.71Å; V401-L403 HydrophobicContact CG1-CG 4.02Å; L403-D405 PolarHBondContact O-N 3.04Å; L403-F406 CarbonylContact C-O 3.55Å; L403-F406 VanDerWaalsContact CA-O 3.31Å; L403-F406 WeakPolarHBondContact CA-O 3.27Å; L403-F406 VanDerWaalsContact CB-O 3.23Å; L403-F406 WeakPolarHBondContact CB-O 3.5Å; L403-F406 PolarHBondContact N-O 2.9Å; L403-F408 HydrophobicContact CD1-CD2 4.32Å; L403-F408 HydrophobicContact CD1-CE2 3.83Å; L403-F408 HydrophobicContact CG-CE2 4.49Å | ||
| 404 | P | 88.8 | Confident | 91 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 21% | 0.208 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -58.8 | -42.7 | -173.6 | -29.9 | 40.2 | 0 | 0 | 0 | 114.2 | D345 R421 | D345-P404 HydrophobicContact CB-CB 4.36Å; D345-P404 HydrophobicContact CB-CG 3.78Å; D345-P404 WeakPolarHBondContact OD2-CB 3.44Å; P404-R421 VanDerWaalsContact O-CZ 3.26Å; P404-R421 PolarHBondContact O-NE 2.78Å; P404-R421 PolarHBondContact O-NH2 2.84Å |
| 405 | D | 86.6 | Confident | 91 | Very high | 65 Ų | 65 | 24.4 Ų | 24.4 | 35% | 0.348 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -110 | -19.2 | -174.3 | -54.1 | -40.5 | 0 | 0 | 0 | 113.4 | L403 K419 V420 R421 | L403-D405 PolarHBondContact O-N 3.04Å; D405-K419 CarbonylContact O-C 3.6Å; D405-V420 VanDerWaalsContact C-CG2 3.49Å; D405-V420 WeakPolarHBondContact O-CG2 3.21Å; D405-V420 PolarHBondContact O-N 3.14Å; D405-R421 HydrophobicContact CB-CB 4.31Å; D405-R421 PolarHBondContact O-N 3.49Å; D405-R421 VanDerWaalsContact OD1-CD 3.28Å; D405-R421 WeakPolarHBondContact OD1-CD 3.21Å; D405-R421 IonicContact OD1-CZ 3.95Å; D405-R421 IonicContact OD1-NE 3.8Å; D405-R421 IonicContact OD1-NH1 3.7Å; D405-R421 PolarHBondContact OD1-NH1 3.4Å |
| 406 | F | 88 | Confident | 90.8 | Very high | 70 Ų | 70 | 22.6 Ų | 22.6 | 31% | 0.307 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.3 | -179.6 | -63 | -79.6 | 0 | 0 | 0 | 112.1 | H49 L403 F408 V418 K419 | H49-F406 AromaticContact CD2-CD2 3.95Å; H49-F406 AromaticContact NE2-CD2 3.64Å; L403-F406 CarbonylContact C-O 3.55Å; L403-F406 VanDerWaalsContact CA-O 3.31Å; L403-F406 WeakPolarHBondContact CA-O 3.27Å; L403-F406 VanDerWaalsContact CB-O 3.23Å; L403-F406 WeakPolarHBondContact CB-O 3.5Å; L403-F406 PolarHBondContact N-O 2.9Å; F406-F408 HydrophobicContact CB-CD2 4.42Å; F406-F408 HydrophobicContact CB-CE2 3.67Å; F406-F408 HydrophobicContact CB-CZ 3.87Å; F406-F408 HydrophobicContact CG-CZ 4.37Å; F406-V418 CarbonylContact C-O 3.44Å; F406-V418 VanDerWaalsContact CA-O 3.29Å; F406-V418 WeakPolarHBondContact CA-O 3.35Å; F406-K419 HydrophobicContact CD1-CB 4.1Å; F406-K419 HydrophobicContact CD1-CG 4.33Å; F406-K419 HydrophobicContact CE1-CB 3.9Å; F406-K419 HydrophobicContact CE1-CG 3.9Å; F406-K419 HydrophobicContact CZ-CG 4.46Å |
| 407 | M | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.3 | 163.9 | 171.7 | 178 | -81.8 | 0 | 0 | 108.7 | Y348 Y350 V358 L360 I400 V401 A402 I409 V418 V420 | Y348-M407 HydrophobicContact CE2-CE 3.92Å; Y350-M407 HydrophobicContact CD1-CE 3.71Å; Y350-M407 HydrophobicContact CD2-CE 4.19Å; Y350-M407 HydrophobicContact CE1-CE 4.32Å; Y350-M407 HydrophobicContact CG-CE 3.63Å; V358-M407 HydrophobicContact CB-SD 4.42Å; V358-M407 HydrophobicContact CG1-CE 4.13Å; V358-M407 HydrophobicContact CG1-SD 3.8Å; L360-M407 HydrophobicContact CD2-CE 3.5Å; L360-M407 HydrophobicContact CD2-SD 4.01Å; I400-M407 HydrophobicContact CG2-CE 4.05Å; I400-M407 HydrophobicContact CG2-CG 4.03Å; I400-M407 HydrophobicContact CG2-SD 4.16Å; V401-M407 WeakPolarHBondContact O-CA 3.3Å; A402-M407 HydrophobicContact CB-CE 3.99Å; M407-I409 HydrophobicContact CG-CD1 4.35Å; M407-I409 HydrophobicContact CG-CG1 3.94Å; M407-I409 HydrophobicContact SD-CD1 4.06Å; M407-I409 HydrophobicContact SD-CG1 4.13Å; M407-V418 HydrophobicContact CB-CB 4.4Å; M407-V418 PolarHBondContact N-O 3.4Å; M407-V418 PolarHBondContact O-N 2.77Å; M407-V420 HydrophobicContact CB-CG1 3.63Å |
| 408 | F | 90 | Very high | 90.3 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 9% | 0.092 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.1 | 174.8 | -59.8 | -86.2 | 0 | 0 | 0 | 109.6 | L39 H49 L51 I400 V401 L403 F406 L415 I416 A417 | L39-F408 HydrophobicContact CD2-CB 3.85Å; L39-F408 WeakPolarHBondContact CD2-O 3.5Å; H49-F408 HydrophobicContact CB-CE2 4.29Å; H49-F408 HydrophobicContact CB-CZ 4.2Å; L51-F408 HydrophobicContact CD1-CB 3.89Å; L51-F408 HydrophobicContact CD1-CD1 3.36Å; L51-F408 HydrophobicContact CD1-CD2 3.74Å; L51-F408 HydrophobicContact CD1-CE1 3.69Å; L51-F408 HydrophobicContact CD1-CE2 4.05Å; L51-F408 HydrophobicContact CD1-CG 3.37Å; L51-F408 HydrophobicContact CD1-CZ 4.02Å; L51-F408 HydrophobicContact CD2-CB 4.18Å; L51-F408 HydrophobicContact CD2-CD2 4.22Å; L51-F408 HydrophobicContact CD2-CG 4.24Å; L51-F408 HydrophobicContact CG-CG 4.43Å; I400-F408 CarbonylContact C-O 3.5Å; I400-F408 VanDerWaalsContact CA-O 3.32Å; I400-F408 WeakPolarHBondContact CA-O 3.31Å; V401-F408 HydrophobicContact CB-CB 4.43Å; V401-F408 PolarHBondContact N-O 2.93Å; V401-F408 PolarHBondContact O-N 3.45Å; L403-F408 HydrophobicContact CD1-CD2 4.32Å; L403-F408 HydrophobicContact CD1-CE2 3.83Å; L403-F408 HydrophobicContact CG-CE2 4.49Å; F406-F408 HydrophobicContact CB-CD2 4.42Å; F406-F408 HydrophobicContact CB-CE2 3.67Å; F406-F408 HydrophobicContact CB-CZ 3.87Å; F406-F408 HydrophobicContact CG-CZ 4.37Å; F408-L415 HydrophobicContact CB-CD1 4.42Å; F408-I416 CarbonylContact C-O 3.57Å; F408-I416 VanDerWaalsContact CA-O 3.31Å; F408-I416 WeakPolarHBondContact CA-O 3.36Å; F408-A417 HydrophobicContact CD1-CB 3.68Å; F408-A417 HydrophobicContact CE1-CB 3.57Å |
| 409 | I | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.3 | -174.8 | -55.6 | 170.2 | 0 | 0 | 0 | 107.3 | V358 V389 L391 I397 I400 M407 I416 V418 | V358-I409 HydrophobicContact CG2-CD1 3.75Å; V389-I409 HydrophobicContact CG1-CD1 4.33Å; L391-I409 HydrophobicContact CD1-CG2 4.18Å; L391-I409 HydrophobicContact CD2-CD1 3.98Å; I397-I409 HydrophobicContact CB-CG2 4.5Å; I397-I409 HydrophobicContact CD1-CG2 4.07Å; I397-I409 HydrophobicContact CG1-CG2 4.05Å; I397-I409 HydrophobicContact CG2-CG2 3.76Å; I400-I409 HydrophobicContact CD1-CG1 4.48Å; I400-I409 HydrophobicContact CG1-CG1 4.3Å; I400-I409 HydrophobicContact CG1-CG2 4.29Å; M407-I409 HydrophobicContact CG-CD1 4.35Å; M407-I409 HydrophobicContact CG-CG1 3.94Å; M407-I409 HydrophobicContact SD-CD1 4.06Å; M407-I409 HydrophobicContact SD-CG1 4.13Å; I409-I416 HydrophobicContact CB-CB 4.32Å; I409-I416 PolarHBondContact N-O 2.85Å; I409-I416 PolarHBondContact O-N 3.27Å; I409-V418 HydrophobicContact CD1-CG2 4.03Å |
| 410 | L | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.6 | 174 | -179.7 | 69.5 | 0 | 0 | 0 | 109.3 | L11 A15 G38 L39 T53 I397 W398 G399 | L11-L410 HydrophobicContact CD1-CD1 3.99Å; A15-L410 HydrophobicContact CB-CD1 4.17Å; A15-L410 HydrophobicContact CB-CD2 4.29Å; A15-L410 HydrophobicContact CB-CG 4.43Å; G38-L410 WeakPolarHBondContact O-CD2 3.4Å; L39-L410 HydrophobicContact CB-CB 3.96Å; L39-L410 HydrophobicContact CB-CD2 4.24Å; L39-L410 HydrophobicContact CD1-CB 4.41Å; L39-L410 HydrophobicContact CD2-CB 4.19Å; L39-L410 HydrophobicContact CG-CB 4.41Å; T53-L410 HydrophobicContact CG2-CD1 4.1Å; T53-L410 WeakPolarHBondContact OG1-CD2 3.41Å; I397-L410 CarbonylContact C-O 3.6Å; I397-L410 WeakPolarHBondContact CA-O 3.5Å; W398-L410 HydrophobicContact CB-CD2 4.27Å; W398-L410 HydrophobicContact CB-CG 4.37Å; W398-L410 PolarHBondContact N-O 2.81Å; G399-L410 PolarHBondContact N-O 2.77Å; G399-L410 PolarHBondContact O-N 3.01Å |
| 411 | T | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -120.3 | -178.8 | 169 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | L391 N393 E395 E396 S413 R414 I416 | L391-T411 HydrophobicContact CD1-CG2 4.13Å; N393-T411 PolarHBondContact ND2-OG1 2.96Å; E395-T411 HydrophobicContact CB-CG2 4.26Å; E396-T411 WeakPolarHBondContact O-CA 3.49Å; T411-S413 PolarHBondContact O-N 3.44Å; T411-R414 PolarHBondContact N-O 2.88Å; T411-R414 PolarHBondContact OG1-N 2.99Å; T411-R414 PolarHBondContact OG1-O 3.48Å; T411-I416 HydrophobicContact CG2-CD1 4.14Å | ||
| 412 | E | 90.6 | Very high | 87.7 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -55.6 | -51.3 | 178.8 | 173.7 | 165.5 | -172 | 0 | 0 | 112.5 | S14 A15 W398 | S14-E412 CarbonylContact C-O 3.55Å; S14-E412 VanDerWaalsContact CA-O 3.31Å; S14-E412 WeakPolarHBondContact CA-O 3.49Å; S14-E412 PolarHBondContact OG-OE1 2.94Å; A15-E412 PolarHBondContact N-O 2.92Å; W398-E412 HydrophobicContact CE3-CB 4.4Å; W398-E412 HydrophobicContact CH2-CB 3.58Å; W398-E412 HydrophobicContact CH2-CG 3.48Å; W398-E412 VanDerWaalsContact CH2-CG 3.48Å; W398-E412 HydrophobicContact CZ2-CB 3.84Å; W398-E412 HydrophobicContact CZ2-CG 4.16Å; W398-E412 HydrophobicContact CZ3-CB 3.86Å; W398-E412 HydrophobicContact CZ3-CG 3.88Å |
| 413 | S | 90.3 | Very high | 85.5 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -105.9 | -12.1 | -172.7 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | L11 E395 T411 | L11-S413 WeakPolarHBondContact CB-O 3.42Å; L11-S413 WeakPolarHBondContact CG-O 3.12Å; L11-S413 PolarHBondContact N-O 3.19Å; E395-S413 PolarHBondContact OE1-OG 3.29Å; E395-S413 VanDerWaalsContact OE1-OG 3.14Å; E395-S413 WeakPolarHBondContact OE2-CB 3.3Å; E395-S413 PolarHBondContact OE2-N 2.71Å; E395-S413 PolarHBondContact OE2-OG 2.87Å; T411-S413 PolarHBondContact O-N 3.44Å |
| 414 | R | 87.3 | Confident | 83.1 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.9 | -174.6 | -52.8 | -165.5 | -176.8 | 71.2 | 26.7 | 114.7 | E8 Q9 E10 E395 T411 I416 | E8-R414 VanDerWaalsContact OE2-CD 3.29Å; E8-R414 WeakPolarHBondContact OE2-CD 3.49Å; Q9-R414 CarbonylContact O-C 3.55Å; Q9-R414 VanDerWaalsContact O-CA 3.23Å; Q9-R414 WeakPolarHBondContact O-CA 3.22Å; Q9-R414 WeakPolarHBondContact O-CB 3.45Å; E10-R414 IonicContact OE1-CZ 3.98Å; E10-R414 IonicContact OE1-NE 2.68Å; E10-R414 IonicContact OE1-NH2 3.38Å; E10-R414 PolarHBondContact OE1-NH2 3.43Å; E395-R414 IonicContact OE1-CZ 2.76Å; E395-R414 IonicContact OE1-NH1 3.84Å; E395-R414 PolarHBondContact OE1-NH1 2.92Å; T411-R414 PolarHBondContact N-O 2.88Å; T411-R414 PolarHBondContact OG1-N 2.99Å; T411-R414 PolarHBondContact OG1-O 3.48Å; R414-I416 HydrophobicContact CB-CG1 4.08Å |
| 415 | L | 86.7 | Confident | 80.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.9 | 158 | 178.8 | 61.7 | 0 | 0 | 0 | 108.7 | Q9 L11 L39 L51 F408 | Q9-L415 PolarHBondContact N-O 3.45Å; Q9-L415 PolarHBondContact O-N 2.88Å; L11-L415 HydrophobicContact CD2-CB 4.23Å; L39-L415 HydrophobicContact CD1-CD1 3.77Å; L39-L415 HydrophobicContact CD2-CD1 3.94Å; L51-L415 HydrophobicContact CD1-CD2 4.33Å; F408-L415 HydrophobicContact CB-CD1 4.42Å |
| 416 | I | 88.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.4 | -172.5 | -56.8 | -180 | 0 | 0 | 0 | 108.9 | V6 K7 E8 L391 F408 I409 T411 R414 V418 | V6-I416 HydrophobicContact CG1-CG2 3.45Å; V6-I416 VanDerWaalsContact CG1-CG2 3.45Å; K7-I416 CarbonylContact O-C 3.54Å; K7-I416 WeakPolarHBondContact O-CA 3.45Å; E8-I416 HydrophobicContact CB-CG1 4.43Å; E8-I416 HydrophobicContact CG-CD1 4.37Å; E8-I416 HydrophobicContact CG-CG1 4.03Å; E8-I416 HydrophobicContact CG-CG2 4.16Å; L391-I416 HydrophobicContact CD1-CD1 4.36Å; L391-I416 HydrophobicContact CD2-CD1 3.93Å; L391-I416 HydrophobicContact CD2-CG2 4.17Å; F408-I416 CarbonylContact C-O 3.57Å; F408-I416 VanDerWaalsContact CA-O 3.31Å; F408-I416 WeakPolarHBondContact CA-O 3.36Å; I409-I416 HydrophobicContact CB-CB 4.32Å; I409-I416 PolarHBondContact N-O 2.85Å; I409-I416 PolarHBondContact O-N 3.27Å; T411-I416 HydrophobicContact CG2-CD1 4.14Å; R414-I416 HydrophobicContact CB-CG1 4.08Å; I416-V418 HydrophobicContact CG2-CG2 4.36Å |
| 417 | A | 85.1 | Confident | 75.2 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K7 F408 | K7-A417 PolarHBondContact N-O 3.13Å; K7-A417 PolarHBondContact O-N 2.83Å; F408-A417 HydrophobicContact CD1-CB 3.68Å; F408-A417 HydrophobicContact CE1-CB 3.57Å |
| 418 | V | 88.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.8 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | L4 V6 V389 F406 M407 I409 I416 V420 | L4-V418 HydrophobicContact CB-CG1 3.8Å; L4-V418 HydrophobicContact CD1-CG1 4.05Å; V6-V418 HydrophobicContact CG2-CG1 4.47Å; V6-V418 HydrophobicContact CG2-CG2 4.29Å; V389-V418 HydrophobicContact CG1-CG2 3.94Å; V389-V418 HydrophobicContact CG2-CG1 3.92Å; V389-V418 HydrophobicContact CG2-CG2 4.31Å; F406-V418 CarbonylContact C-O 3.44Å; F406-V418 VanDerWaalsContact CA-O 3.29Å; F406-V418 WeakPolarHBondContact CA-O 3.35Å; M407-V418 HydrophobicContact CB-CB 4.4Å; M407-V418 PolarHBondContact N-O 3.4Å; M407-V418 PolarHBondContact O-N 2.77Å; I409-V418 HydrophobicContact CD1-CG2 4.03Å; I416-V418 HydrophobicContact CG2-CG2 4.36Å; V418-V420 HydrophobicContact CB-CG1 4.35Å; V418-V420 HydrophobicContact CG1-CG1 4.01Å; V418-V420 PolarHBondContact O-N 3.29Å |
| 419 | K | 84.8 | Confident | 70 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 105.6 | 167.1 | -170.6 | -176.3 | -176.2 | -171.9 | 0 | 107.9 | T5 D405 F406 R421 S423 | T5-K419 PolarHBondContact O-N 3.01Å; D405-K419 CarbonylContact O-C 3.6Å; F406-K419 HydrophobicContact CD1-CB 4.1Å; F406-K419 HydrophobicContact CD1-CG 4.33Å; F406-K419 HydrophobicContact CE1-CB 3.9Å; F406-K419 HydrophobicContact CE1-CG 3.9Å; F406-K419 HydrophobicContact CZ-CG 4.46Å; K419-R421 WeakPolarHBondContact CE-O 3.38Å; K419-R421 WeakPolarHBondContact CG-O 3.41Å; K419-S423 PolarHBondContact NZ-OG 3.01Å |
| 420 | V | 87.8 | Confident | 68.9 | Low | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.024 | 42% | 0.417 | C | S | . | . | trans | -88.9 | -33.2 | -175 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | Y348 L360 W362 D405 M407 V418 | Y348-V420 HydrophobicContact CE1-CG2 3.74Å; L360-V420 HydrophobicContact CD1-CB 3.99Å; L360-V420 HydrophobicContact CD1-CG1 3.64Å; W362-V420 HydrophobicContact CZ2-CB 4.38Å; D405-V420 VanDerWaalsContact C-CG2 3.49Å; D405-V420 WeakPolarHBondContact O-CG2 3.21Å; D405-V420 PolarHBondContact O-N 3.14Å; M407-V420 HydrophobicContact CB-CG1 3.63Å; V418-V420 HydrophobicContact CB-CG1 4.35Å; V418-V420 HydrophobicContact CG1-CG1 4.01Å; V418-V420 PolarHBondContact O-N 3.29Å | ||
| 421 | R | 80.1 | Confident | 67.6 | Low | 68 Ų | 68 | 71.4 Ų | 71.4 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -107.5 | 124.1 | 173.4 | -160.7 | -179 | -64.2 | 148.3 | -12.1 | 109.2 | D345 S347 W362 P404 D405 K419 S423 | D345-R421 IonicContact OD1-NH2 2.71Å; D345-R421 IonicContact OD2-CZ 3.77Å; D345-R421 IonicContact OD2-NH1 2.84Å; D345-R421 IonicContact OD2-NH2 3.58Å; D345-R421 PolarHBondContact OD2-NH2 3.19Å; S347-R421 PolarHBondContact OG-NH2 2.85Å; W362-R421 HydrophobicContact CH2-CB 4.28Å; P404-R421 VanDerWaalsContact O-CZ 3.26Å; P404-R421 PolarHBondContact O-NE 2.78Å; P404-R421 PolarHBondContact O-NH2 2.84Å; D405-R421 HydrophobicContact CB-CB 4.31Å; D405-R421 PolarHBondContact O-N 3.49Å; D405-R421 VanDerWaalsContact OD1-CD 3.28Å; D405-R421 WeakPolarHBondContact OD1-CD 3.21Å; D405-R421 IonicContact OD1-CZ 3.95Å; D405-R421 IonicContact OD1-NE 3.8Å; D405-R421 IonicContact OD1-NH1 3.7Å; D405-R421 PolarHBondContact OD1-NH1 3.4Å; K419-R421 WeakPolarHBondContact CE-O 3.38Å; K419-R421 WeakPolarHBondContact CG-O 3.41Å; R421-S423 PolarHBondContact O-N 3.41Å |
| 422 | E | 63.9 | Low | 66.2 | Low | 128 Ų | 128 | 75.4 Ų | 75.4 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | trans | -68.7 | 120.4 | 161 | -67.4 | -154 | 131.2 | 0 | 0 | 108.6 | I424 | E422-I424 PolarHBondContact O-N 3.13Š| ||
| 423 | S | 47.1 | Very low | 64.8 | Low | 69 Ų | 69 | 74.9 Ų | 74.9 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | trans | -50.8 | 103.1 | 167.7 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | K419 R421 L425 | K419-S423 PolarHBondContact NZ-OG 3.01Å; R421-S423 PolarHBondContact O-N 3.41Å; S423-L425 PolarHBondContact O-N 3.07Å | ||
| 424 | I | 38.8 | Very low | 63.2 | Low | 157 Ų | 157 | 77.8 Ų | 77.8 | 81% | 0.805 | 48% | 0.484 | S | S | * | . | trans | -70.9 | 78.6 | 175.4 | -53 | 171.6 | 0 | 0 | 0 | 107.4 | E422 | E422-I424 PolarHBondContact O-N 3.13Š| ||
| 425 | L | 32.1 | Very low | 61.6 | Low | 143 Ų | 143 | 79.2 Ų | 79.2 | 75% | 0.749 | 50% | 0.502 | S | S | * | . | trans | -57.7 | 123 | 158.5 | -73.6 | 168.8 | 0 | 0 | 0 | 105.9 | S423 A427 | S423-L425 PolarHBondContact O-N 3.07Å; L425-A427 PolarHBondContact O-N 3.1Å | ||
| 426 | P | 33.3 | Very low | 59.8 | Low | 105 Ų | 105 | 82.7 Ų | 82.7 | 68% | 0.682 | 53% | 0.526 | S | S | * | . | trans | -58.1 | 131.9 | 173.2 | 25.6 | -33 | 0 | 0 | 0 | 107.6 | T428 | P426-T428 PolarHBondContact O-N 3.26Š| ||
| 427 | A | 33.9 | Very low | 57.6 | Low | 106 Ų | 106 | 89.1 Ų | 89.1 | 88% | 0.876 | 57% | 0.567 | S | S | * | * | trans | -60.4 | 107.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L425 G429 | L425-A427 PolarHBondContact O-N 3.1Å; A427-G429 PolarHBondContact O-N 2.85Å; A427-G429 VanDerWaalsContact O-N 3.13Å | ||
| 428 | T | 35.5 | Very low | 55.3 | Low | 144 Ų | 144 | 94.2 Ų | 94.2 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | trans | -77.9 | 93.8 | 173.7 | 38.1 | 0 | 0 | 0 | 0 | 108 | P426 | P426-T428 PolarHBondContact O-N 3.26Š| ||
| 429 | G | 37.2 | Very low | 52.2 | Low | 148 Ų | 148 | 102.7 Ų | 102.7 | 100% | 1.526 | 65% | 0.649 | S | S | * | * | trans | -81.2 | 0 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A427 | A427-G429 PolarHBondContact O-N 2.85Å; A427-G429 VanDerWaalsContact O-N 3.13Å |
Retrieved 429 of 429 residues in 838.5 ms
(Link to these results)