| 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 | 32.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 97.4 Ų | 97.4 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | 0 | 157.6 | 0 | -84.3 | 169.1 | -74.3 | 0 | 0 | 107.3 | V461 | M1-V461 HydrophobicContact CG-CG1 3.62Š| |||
| 2 | I | 31.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 96.8 Ų | 96.8 | 43% | 0.426 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.6 | 160.9 | -65.8 | -167.9 | 0 | 0 | 0 | 107 | T4 W472 | I2-T4 HydrophobicContact CG2-CG2 3.65Å; I2-W472 HydrophobicContact CB-CH2 4.27Å; I2-W472 HydrophobicContact CD1-CH2 3.66Å; I2-W472 HydrophobicContact CD1-CZ2 4.15Å; I2-W472 HydrophobicContact CG1-CH2 3.89Å |
| 3 | I | 31.8 | Very low | 31 | Very low | 51 Ų | 51 | 93.5 Ų | 93.5 | 26% | 0.262 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 91.1 | 166.3 | -54.8 | 179.8 | 0 | 0 | 0 | 105.1 | A5 V449 L451 Y457 F459 | I3-A5 VanDerWaalsContact C-N 3.29Å; I3-A5 PolarHBondContact O-N 3.11Å; I3-V449 HydrophobicContact CB-CB 4.45Å; I3-V449 HydrophobicContact CB-CG2 4.3Å; I3-V449 HydrophobicContact CD1-CB 4.28Å; I3-V449 HydrophobicContact CG2-CB 4.24Å; I3-V449 HydrophobicContact CG2-CG1 4.28Å; I3-L451 HydrophobicContact CG2-CD2 4.25Å; I3-Y457 HydrophobicContact CG2-CD1 3.87Å; I3-Y457 HydrophobicContact CG2-CE1 4.43Å; I3-F459 HydrophobicContact CD1-CE1 4.31Å; I3-F459 HydrophobicContact CG1-CD1 4.38Å; I3-F459 HydrophobicContact CG1-CE1 3.88Å |
| 4 | T | 29.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 89.4 | 168.2 | 43.7 | 0 | 0 | 0 | 0 | 108.3 | I2 | I2-T4 HydrophobicContact CG2-CG2 3.65Å |
| 5 | A | 29 | Very low | 31.1 | Very low | 40 Ų | 40 | 101.9 Ų | 101.9 | 33% | 0.331 | 59% | 0.587 | S | S | . | * | trans | -61.9 | 168.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 109 | I3 Y457 | I3-A5 VanDerWaalsContact C-N 3.29Å; I3-A5 PolarHBondContact O-N 3.11Å; A5-Y457 HydrophobicContact CB-CE1 4.07Å | ||
| 6 | N | 28.9 | Very low | 31 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 83% | 0.834 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -70 | 143.6 | 162 | -78 | -25.3 | 0 | 0 | 0 | 109.2 | ||
| 7 | L | 28.3 | Very low | 30.9 | Very low | 170 Ų | 170 | 109.1 Ų | 109.1 | 89% | 0.89 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 96.4 | 131 | 169.6 | -54.1 | 165.5 | 0 | 0 | 0 | 118.8 | ||
| 8 | A | 31.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 88% | 0.884 | 62% | 0.623 | S | S | * | * | trans | 63.7 | 146.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 9 | S | 28.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | trans | -153.7 | 147.7 | 175.8 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 10 | P | 35.9 | Very low | 30.8 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -132.2 | 169.6 | 155.6 | 21 | 1.1 | 0 | 0 | 0 | 113.5 | ||||
| 11 | K | 32.7 | Very low | 30.7 | Very low | 57 Ų | 57 | 115.3 Ų | 115.3 | 25% | 0.248 | 64% | 0.644 | C | S | . | * | cis | -169.9 | 178.2 | -32.2 | -109.2 | 164.8 | -163.3 | -141.8 | 0 | 109.2 | A1211 G1218 P1219 | K11-A1211 PolarHBondContact NZ-O 3.22Å; K11-G1218 PolarHBondContact NZ-O 2.94Å; K11-P1219 HydrophobicContact CB-CB 4.4Å; K11-P1219 HydrophobicContact CD-CB 4.37Å; K11-P1219 WeakPolarHBondContact CD-O 3.35Å; K11-P1219 WeakPolarHBondContact CE-O 3.38Å; K11-P1219 HydrophobicContact CG-CB 4.2Å; K11-P1219 VanDerWaalsContact CG-O 3.29Å; K11-P1219 WeakPolarHBondContact CG-O 3.4Å; K11-P1219 PolarHBondContact NZ-O 3.44Å | ||
| 12 | C | 30.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | 70.5 | 123.5 | -176.3 | -59 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 13 | S | 31.9 | Very low | 30.5 | Very low | 53 Ų | 53 | 115.3 Ų | 115.3 | 37% | 0.371 | 67% | 0.665 | S | S | . | * | cis | 70 | 133.4 | 26 | 95.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 14 | K | 32.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 120.9 Ų | 120.9 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | cis | -129.2 | -174.2 | 9.7 | -52.9 | 172.8 | -175.5 | 174.4 | 0 | 108.8 | ||||
| 15 | D | 31.7 | Very low | 30.3 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | cis | -162 | 146 | 16.8 | -154.3 | 1.1 | 0 | 0 | 0 | 110.8 | ||||
| 16 | P | 29.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -128.5 | 127.9 | 179.6 | 37.1 | -21 | 0 | 0 | 0 | 115.8 | ||||
| 17 | Y | 29.7 | Very low | 31 | Very low | 214 Ų | 214 | 127.2 Ų | 127.2 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | -123.2 | 162.6 | 167.1 | -95.8 | -92.3 | 0 | 0 | 0 | 112.6 | ||||
| 18 | L | 30.3 | Very low | 32 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | 63 | 98.1 | -178.9 | -84.3 | 71.2 | 0 | 0 | 0 | 116.9 | ||||
| 19 | T | 30.4 | Very low | 33.1 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | trans | -152.4 | 114.2 | 145.3 | -71.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | T | 29.9 | Very low | 34.8 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | trans | 168.8 | 109.2 | 140.2 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 21 | M | 27.4 | Very low | 36.6 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | trans | -142.6 | 121.6 | 148 | -91 | -157.5 | 75 | 0 | 0 | 110.4 | ||||
| 22 | V | 30.7 | Very low | 38.9 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | trans | 28.3 | 131.6 | 148 | -168.4 | 0 | 0 | 0 | 0 | 119.5 | H24 | V22-H24 VanDerWaalsContact C-N 3.3Å; V22-H24 PolarHBondContact O-N 2.81Å | ||
| 23 | A | 30.2 | Very low | 41.4 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 84% | 0.843 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -72.9 | 68.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 24 | H | 28.6 | Very low | 44.1 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 78% | 0.778 | 60% | 0.596 | S | S | * | * | S | Bend | -77.3 | 174.4 | 129.3 | -81.5 | -109 | 0 | 0 | 0 | 108.4 | V22 A26 | V22-H24 VanDerWaalsContact C-N 3.3Å; V22-H24 PolarHBondContact O-N 2.81Å; H24-A26 PolarHBondContact O-N 3.23Å | |
| 25 | R | 28.4 | Very low | 46.7 | Very low | 251 Ų | 251 | 109.3 Ų | 109.3 | 95% | 0.947 | 57% | 0.57 | S | S | * | * | trans | -72.2 | 69.5 | 163.5 | -76.1 | -174.7 | 176.4 | 173.3 | 0.1 | 109.6 | I27 | R25-I27 PolarHBondContact O-N 3.2Š| ||
| 26 | A | 30.1 | Very low | 49.5 | Very low | 72 Ų | 72 | 108.8 Ų | 108.8 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | trans | -58.2 | 108.3 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | H24 Q28 | H24-A26 PolarHBondContact O-N 3.23Å; A26-Q28 PolarHBondContact O-N 2.82Å; A26-Q28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | I | 43.1 | Very low | 52.4 | Low | 83 Ų | 83 | 104.4 Ų | 104.4 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | trans | -62.5 | 113.4 | 177.9 | -60.2 | 171.6 | 0 | 0 | 0 | 106.2 | R25 P29 | R25-I27 PolarHBondContact O-N 3.2Å; I27-P29 WeakPolarHBondContact O-CD 3.42Å; I27-P29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | Q | 48.9 | Very low | 55.2 | Low | 172 Ų | 172 | 99.4 Ų | 99.4 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | trans | -55 | 123.5 | 174.9 | -79.4 | -167.7 | -19.9 | 0 | 0 | 108.3 | A26 T30 | A26-Q28 PolarHBondContact O-N 2.82Å; A26-Q28 VanDerWaalsContact O-N 3.08Å; Q28-T30 PolarHBondContact O-N 2.77Å | ||
| 29 | P | 54.7 | Low | 57.9 | Low | 49 Ų | 49 | 98.9 Ų | 98.9 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | trans | -58.1 | 137.9 | -175.2 | -24.5 | 32.9 | 0 | 0 | 0 | 110.7 | I27 F31 M338 | I27-P29 WeakPolarHBondContact O-CD 3.42Å; I27-P29 VanDerWaalsContact O-N 3.15Å; P29-F31 WeakPolarHBondContact O-CD2 3.39Å; P29-F31 PolarHBondContact O-N 3.33Å; P29-M338 HydrophobicContact CB-CB 4.38Å; P29-M338 HydrophobicContact CB-CE 3.98Å; P29-M338 HydrophobicContact CB-CG 3.64Å; P29-M338 HydrophobicContact CB-SD 3.99Å; P29-M338 HydrophobicContact CG-CE 4.14Å; P29-M338 HydrophobicContact CG-CG 4.31Å; P29-M338 HydrophobicContact CG-SD 4.05Å | ||
| 30 | T | 64.6 | Low | 60.6 | Low | 17 Ų | 17 | 94 Ų | 94 | 10% | 0.104 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 100.5 | -174.4 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | Q28 V32 K294 E335 S336 L337 M338 | Q28-T30 PolarHBondContact O-N 2.77Å; T30-V32 HydrophobicContact CG2-CG1 3.9Å; T30-V32 PolarHBondContact O-N 3.4Å; T30-V32 VanDerWaalsContact O-N 3.16Å; T30-K294 PolarHBondContact OG1-NZ 3.35Å; T30-E335 PolarHBondContact OG1-OE2 2.86Å; T30-S336 PolarHBondContact N-O 3.23Å; T30-L337 HydrophobicContact CG2-CD2 4.27Å; T30-M338 PolarHBondContact O-N 3.38Å |
| 31 | F | 72.6 | Confident | 63.3 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 53% | 0.526 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 110.2 | 174.3 | -78.7 | -89.5 | 0 | 0 | 0 | 110.5 | P29 M338 C467 | P29-F31 WeakPolarHBondContact O-CD2 3.39Å; P29-F31 PolarHBondContact O-N 3.33Å; F31-M338 HydrophobicContact CD1-CE 4.35Å; F31-M338 HydrophobicContact CD2-CE 4.37Å; F31-M338 HydrophobicContact CE1-CE 3.62Å; F31-M338 HydrophobicContact CE2-CE 3.63Å; F31-M338 HydrophobicContact CZ-CE 3.21Å; F31-C467 PolarHBondContact O-SG 3.42Å |
| 32 | V | 81.3 | Confident | 66.3 | Low | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.024 | 46% | 0.46 | C | S | . | . | trans | -127.8 | 145 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | T30 Y296 L324 L337 M338 T339 L387 E388 | T30-V32 HydrophobicContact CG2-CG1 3.9Å; T30-V32 PolarHBondContact O-N 3.4Å; T30-V32 VanDerWaalsContact O-N 3.16Å; V32-Y296 HydrophobicContact CG1-CE1 4.19Å; V32-L324 HydrophobicContact CG2-CD2 4Å; V32-L337 HydrophobicContact CG1-CD2 4.42Å; V32-L337 HydrophobicContact CG2-CB 4.32Å; V32-L337 HydrophobicContact CG2-CD1 4.3Å; V32-L337 HydrophobicContact CG2-CD2 4.38Å; V32-M338 PolarHBondContact N-O 3.15Å; V32-T339 HydrophobicContact CG2-CG2 3.82Å; V32-T339 WeakPolarHBondContact O-CG2 3.45Å; V32-L387 HydrophobicContact CB-CD1 3.77Å; V32-L387 HydrophobicContact CB-CD2 4.23Å; V32-L387 HydrophobicContact CB-CG 4.04Å; V32-L387 HydrophobicContact CG2-CD1 3.86Å; V32-L387 HydrophobicContact CG2-CD2 4.41Å; V32-L387 HydrophobicContact CG2-CG 4.48Å; V32-E388 WeakPolarHBondContact CA-O 3.22Å | ||
| 33 | K | 82.8 | Confident | 69.2 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 126.1 | -179 | -176.9 | 141.1 | 175.2 | 179.7 | 0 | 111.8 | E340 E388 A466 | K33-E340 HydrophobicContact CD-CB 4.34Å; K33-E340 IonicContact NZ-OE2 2.72Å; K33-E340 PolarHBondContact NZ-OE2 2.83Å; K33-E388 PolarHBondContact N-O 3.4Å; K33-E388 PolarHBondContact O-N 2.9Å; K33-A466 HydrophobicContact CB-CB 3.82Å; K33-A466 HydrophobicContact CD-CB 3.94Å; K33-A466 HydrophobicContact CG-CB 3.83Å |
| 34 | W | 88.1 | Confident | 72 | Confident | 13 Ų | 13 | 83 Ų | 83 | 5% | 0.049 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 146.1 | 172 | -73.4 | 112.3 | 0 | 0 | 0 | 111.2 | F298 L324 S345 P347 I364 W385 F386 L387 | W34-F298 HydrophobicContact CH2-CD2 4.15Å; W34-F298 HydrophobicContact CH2-CE2 4.27Å; W34-F298 HydrophobicContact CH2-CG 4.31Å; W34-F298 AromaticContact CZ2-CD2 3.56Å; W34-F298 HydrophobicContact CZ2-CD2 3.56Å; W34-F298 AromaticContact CZ2-CE2 3.58Å; W34-F298 HydrophobicContact CZ2-CE2 3.58Å; W34-F298 HydrophobicContact CZ2-CG 4.16Å; W34-F298 HydrophobicContact CZ2-CZ 4.26Å; W34-L324 HydrophobicContact CZ2-CD1 4.18Å; W34-L324 HydrophobicContact CZ2-CD2 4.2Å; W34-S345 WeakPolarHBondContact CB-O 3.47Å; W34-P347 HydrophobicContact CD2-CG 3.54Å; W34-P347 HydrophobicContact CE3-CG 3.65Å; W34-P347 HydrophobicContact CG-CG 4.02Å; W34-P347 HydrophobicContact CH2-CG 4.25Å; W34-P347 HydrophobicContact CZ2-CG 4.14Å; W34-P347 HydrophobicContact CZ3-CG 4.01Å; W34-I364 HydrophobicContact CH2-CD1 3.76Å; W34-I364 HydrophobicContact CH2-CG1 4.22Å; W34-I364 HydrophobicContact CH2-CG2 4.01Å; W34-I364 HydrophobicContact CZ3-CD1 3.79Å; W34-I364 HydrophobicContact CZ3-CG1 3.9Å; W34-I364 HydrophobicContact CZ3-CG2 4.21Å; W34-W385 HydrophobicContact CB-CE3 4.05Å; W34-W385 HydrophobicContact CB-CZ3 4.28Å; W34-W385 HydrophobicContact CE3-CB 4.03Å; W34-W385 HydrophobicContact CZ3-CB 4.24Å; W34-F386 CarbonylContact C-O 3.55Å; W34-F386 WeakPolarHBondContact CA-O 3.22Å; W34-L387 HydrophobicContact CD2-CB 4.22Å; W34-L387 HydrophobicContact CD2-CD1 3.75Å; W34-L387 HydrophobicContact CE3-CB 3.86Å; W34-L387 HydrophobicContact CE3-CD1 4.26Å; W34-L387 HydrophobicContact CG-CD1 3.96Å; W34-L387 HydrophobicContact CH2-CB 4.03Å; W34-L387 HydrophobicContact CZ2-CB 4.38Å; W34-L387 HydrophobicContact CZ2-CD1 4.21Å; W34-L387 HydrophobicContact CZ3-CB 3.76Å |
| 35 | K | 87.4 | Confident | 75 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 125.3 | 170.2 | -74.1 | 176.9 | 176.8 | 165.8 | 0 | 109.4 | W385 F386 E388 A466 | K35-W385 VanDerWaalsContact C-CE3 3.42Å; K35-W385 CarbonylContact O-C 3.54Å; K35-W385 VanDerWaalsContact O-CA 3.3Å; K35-W385 WeakPolarHBondContact O-CA 3.45Å; K35-F386 HydrophobicContact CB-CD1 4.23Å; K35-F386 HydrophobicContact CB-CD2 4.34Å; K35-F386 HydrophobicContact CB-CE1 3.77Å; K35-F386 HydrophobicContact CB-CE2 3.91Å; K35-F386 HydrophobicContact CB-CG 4.5Å; K35-F386 HydrophobicContact CB-CZ 3.61Å; K35-F386 HydrophobicContact CD-CE2 3.67Å; K35-F386 HydrophobicContact CD-CZ 3.58Å; K35-F386 HydrophobicContact CG-CE2 4.31Å; K35-F386 HydrophobicContact CG-CZ 4.22Å; K35-F386 PolarHBondContact N-O 2.76Å; K35-F386 PolarHBondContact O-N 2.08Å; K35-E388 WeakPolarHBondContact CE-OE2 3.43Å; K35-E388 IonicContact NZ-OE1 3.61Å; K35-E388 PolarHBondContact NZ-OE1 2.83Å; K35-E388 IonicContact NZ-OE2 3.37Å; K35-E388 PolarHBondContact NZ-OE2 3.21Å; K35-A466 VanDerWaalsContact CE-CB 3.45Å |
| 36 | K | 91 | Very high | 78 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.6 | 169.8 | -161.1 | 171.4 | -174 | 175 | 0 | 108.4 | I38 W385 | K36-I38 HydrophobicContact CB-CG2 4.4Å; K36-I38 HydrophobicContact CG-CG2 4.3Å; K36-I38 PolarHBondContact O-N 3.24Å; K36-W385 HydrophobicContact CB-CD2 3.94Å; K36-W385 HydrophobicContact CB-CE3 3.83Å; K36-W385 HydrophobicContact CB-CH2 3.89Å; K36-W385 HydrophobicContact CB-CZ2 4Å; K36-W385 HydrophobicContact CB-CZ3 3.8Å; K36-W385 HydrophobicContact CD-CH2 4.19Å; K36-W385 HydrophobicContact CD-CZ2 3.79Å; K36-W385 HydrophobicContact CG-CD2 4.15Å; K36-W385 HydrophobicContact CG-CH2 4.29Å; K36-W385 HydrophobicContact CG-CZ2 3.9Å |
| 37 | V | 91 | Very high | 80.8 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | trans | -76.1 | 125 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | N82 F363 M384 F386 | V37-N82 VanDerWaalsContact CG1-OD1 3.27Å; V37-N82 WeakPolarHBondContact CG1-OD1 3.34Å; V37-F363 HydrophobicContact CG2-CE1 4.43Å; V37-M384 HydrophobicContact CB-CB 4.1Å; V37-M384 HydrophobicContact CB-CE 4.13Å; V37-M384 HydrophobicContact CB-CG 4.32Å; V37-M384 HydrophobicContact CG1-CE 3.96Å; V37-M384 HydrophobicContact CG2-CB 4.21Å; V37-M384 HydrophobicContact CG2-CE 4.14Å; V37-M384 HydrophobicContact CG2-CG 3.9Å; V37-M384 PolarHBondContact N-O 3.21Å; V37-F386 HydrophobicContact CG2-CD1 3.77Å; V37-F386 HydrophobicContact CG2-CE1 4.13Å | ||
| 38 | I | 88.5 | Confident | 83.2 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | trans | -123.7 | 155.8 | 179.6 | 60.5 | 173.6 | 0 | 0 | 0 | 109.5 | K36 S40 N82 | K36-I38 HydrophobicContact CB-CG2 4.4Å; K36-I38 HydrophobicContact CG-CG2 4.3Å; K36-I38 PolarHBondContact O-N 3.24Å; I38-S40 PolarHBondContact O-N 3.28Å; I38-N82 PolarHBondContact O-ND2 3.11Å | ||
| 39 | N | 85.5 | Confident | 85.3 | Confident | 150 Ų | 150 | 58.2 Ų | 58.2 | 80% | 0.802 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 54.9 | 35.5 | 174 | -53 | -6.9 | 0 | 0 | 0 | 113.8 | N82 | N39-N82 PolarHBondContact O-ND2 2.8Å; N39-N82 VanDerWaalsContact O-ND2 3.17Å |
| 40 | S | 87.2 | Confident | 87.1 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -73.5 | 126.5 | 171.4 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | I38 N82 | I38-S40 PolarHBondContact O-N 3.28Å; S40-N82 VanDerWaalsContact CA-O 3.28Å; S40-N82 WeakPolarHBondContact CA-O 3.12Å; S40-N82 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 41 | S | 88 | Confident | 88.6 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 156.9 | -178.7 | 70 | 0 | 0 | 0 | 0 | 112.9 | N82 Q83 W84 | S41-N82 PolarHBondContact N-O 3.48Å; S41-N82 VanDerWaalsContact N-O 3.14Å; S41-Q83 CarbonylContact O-C 3.57Å; S41-Q83 VanDerWaalsContact O-CA 3.23Å; S41-Q83 WeakPolarHBondContact O-CA 3.46Å; S41-Q83 VanDerWaalsContact OG-CG 3.3Å; S41-Q83 WeakPolarHBondContact OG-CG 3.37Å; S41-Q83 PolarHBondContact OG-NE2 2.8Å; S41-W84 PolarHBondContact O-N 2.82Å |
| 42 | G | 89.8 | Confident | 89.6 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 46% | 0.464 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 101 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T44 | G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 PolarHBondContact O-OG1 3.47Å |
| 43 | P | 91.2 | Very high | 90.3 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 47% | 0.468 | 29% | 0.285 | S | S | . | . | trans | -62.5 | 102.6 | -176.1 | 26.2 | -35.6 | 0 | 0 | 0 | 110.6 | W84 V86 | P43-W84 WeakPolarHBondContact O-CB 3.46Å; P43-V86 HydrophobicContact CB-CG2 4.22Å; P43-V86 HydrophobicContact CG-CG2 4.06Å | ||
| 44 | T | 89 | Confident | 91 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 127.8 | -176.7 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | G42 | G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 PolarHBondContact O-OG1 3.47Å |
| 45 | P | 91.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 143 | -174.3 | 16.8 | -26.7 | 0 | 0 | 0 | 113.4 | H75 W84 W365 | P45-H75 HydrophobicContact CB-CB 4.18Å; P45-H75 HydrophobicContact CG-CB 4.09Å; P45-W84 HydrophobicContact CG-CD2 4.29Å; P45-W84 HydrophobicContact CG-CE3 3.93Å; P45-W84 HydrophobicContact CG-CH2 3.71Å; P45-W84 HydrophobicContact CG-CZ2 4.06Å; P45-W84 HydrophobicContact CG-CZ3 3.64Å; P45-W365 HydrophobicContact CB-CH2 3.69Å; P45-W365 HydrophobicContact CB-CZ2 3.77Å; P45-W365 HydrophobicContact CG-CH2 3.79Å; P45-W365 HydrophobicContact CG-CZ2 3.51Å; P45-W365 HydrophobicContact CG-CZ3 4.48Å |
| 46 | R | 90.5 | Very high | 91.5 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.6 | 172.1 | -69.4 | -168.9 | -62.3 | -68.1 | 0.1 | 110.8 | R48 E73 | R46-R48 PolarHBondContact O-NE 3.24Å; R46-E73 IonicContact CZ-OE1 2.7Å; R46-E73 IonicContact CZ-OE2 3.71Å; R46-E73 IonicContact NH1-OE1 3.06Å; R46-E73 PolarHBondContact NH1-OE1 3.49Å; R46-E73 IonicContact NH1-OE2 3.85Å; R46-E73 PolarHBondContact NH1-OE2 2.9Å; R46-E73 IonicContact NH2-OE1 2.71Å; R46-E73 PolarHBondContact NH2-OE1 2.8Å; R46-E73 IonicContact NH2-OE2 3.31Å; R46-E73 PolarHBondContact NH2-OE2 3.41Å |
| 47 | P | 90.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 26% | 0.26 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -55 | 137.9 | 177.2 | -22 | 31.5 | 0 | 0 | 0 | 111.7 | C380 K382 | P47-C380 HydrophobicContact CB-CB 3.75Å; P47-K382 HydrophobicContact CB-CG 4.24Å; P47-K382 HydrophobicContact CG-CB 3.94Å; P47-K382 HydrophobicContact CG-CD 3.82Å; P47-K382 HydrophobicContact CG-CG 3.52Å |
| 48 | R | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | trans | -160.8 | 166.5 | -173.1 | 61.7 | -171.8 | 78.9 | 178 | -2 | 112.1 | R46 H51 G64 G66 E73 W365 S366 G367 | R46-R48 PolarHBondContact O-NE 3.24Å; R48-H51 HydrophobicContact CG-CB 4.11Å; R48-H51 PolarHBondContact O-CE1 3.31Å; R48-H51 PolarHBondContact O-ND1 3.06Å; R48-G64 WeakPolarHBondContact CD-O 3.49Å; R48-G64 PolarHBondContact NH1-O 3.35Å; R48-G66 CarbonylContact C-O 3.5Å; R48-G66 VanDerWaalsContact CA-O 3.31Å; R48-G66 WeakPolarHBondContact CA-O 3.34Å; R48-G66 WeakPolarHBondContact CB-O 3.35Å; R48-E73 IonicContact NH2-OE2 2.75Å; R48-E73 PolarHBondContact NH2-OE2 3.2Å; R48-W365 HydrophobicContact CG-CH2 3.74Å; R48-W365 HydrophobicContact CG-CZ3 3.85Å; R48-S366 PolarHBondContact N-OG 2.86Å; R48-S366 WeakPolarHBondContact O-CB 3.33Å; R48-S366 PolarHBondContact O-OG 2.82Å; R48-G367 PolarHBondContact O-N 2.82Å | ||
| 49 | H | 93 | Very high | 91.4 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 161.1 | 169.7 | 72.6 | 74.6 | 0 | 0 | 0 | 111.3 | H51 G65 G66 G352 R368 | H49-H51 PolarHBondContact O-N 3.48Å; H49-G65 CarbonylContact O-C 3.6Å; H49-G65 VanDerWaalsContact O-CA 3.23Å; H49-G65 WeakPolarHBondContact O-CA 3.4Å; H49-G66 PolarHBondContact N-O 2.64Å; H49-G66 PolarHBondContact O-N 2.85Å; H49-G352 WeakPolarHBondContact CA-O 3.33Å; H49-R368 HydrophobicContact CB-CB 4.27Å; H49-R368 HydrophobicContact CB-CG 4.12Å |
| 50 | G | 93.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 73.7 | 0 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A98 A99 G352 | G50-A98 WeakPolarHBondContact O-CA 3.49Å; G50-A99 PolarHBondContact O-N 3.06Å; G50-G352 PolarHBondContact N-O 2.76Å |
| 51 | H | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -61.1 | 154.3 | 163.3 | 55.7 | -67.2 | 0 | 0 | 0 | 110.5 | R48 H49 V62 F63 G352 S354 W365 | R48-H51 HydrophobicContact CG-CB 4.11Å; R48-H51 PolarHBondContact O-CE1 3.31Å; R48-H51 PolarHBondContact O-ND1 3.06Å; H49-H51 PolarHBondContact O-N 3.48Å; H51-V62 HydrophobicContact CB-CG1 4.42Å; H51-F63 WeakPolarHBondContact CA-O 3.47Å; H51-F63 VanDerWaalsContact CB-O 3.25Å; H51-F63 WeakPolarHBondContact CB-O 3.34Å; H51-G352 PolarHBondContact CE1-O 2.97Å; H51-S354 PolarHBondContact CD2-OG 3.25Å; H51-S354 PolarHBondContact NE2-N 3.34Å; H51-S354 PolarHBondContact O-OG 2.76Å; H51-W365 AromaticContact CD2-CE3 3.42Å; H51-W365 VanDerWaalsContact CD2-CE3 3.42Å; H51-W365 AromaticContact CD2-CZ3 3.45Å; H51-W365 VanDerWaalsContact CD2-CZ3 3.45Å; H51-W365 WeakPolarHBondContact CD2-CZ3 3.42Å; H51-W365 AromaticContact CG-CZ3 3.99Å; H51-W365 AromaticContact NE2-CE3 3.34Å; H51-W365 VanDerWaalsContact NE2-CE3 3.34Å; H51-W365 AromaticContact NE2-CZ3 3.61Å; H51-W365 PolarHBondContact NE2-O 3.34Å | ||
| 52 | R | 95.2 | Very high | 92.6 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 159.9 | 167.8 | -54.4 | -62.3 | -157.9 | 179 | 7.5 | 110.8 | F63 Y100 I102 S354 | R52-F63 PolarHBondContact N-O 3.11Å; R52-F63 PolarHBondContact O-N 2.9Å; R52-F63 VanDerWaalsContact O-N 3.12Å; R52-Y100 HydrophobicContact CB-CD2 4.45Å; R52-Y100 HydrophobicContact CB-CE1 4.27Å; R52-Y100 HydrophobicContact CB-CE2 3.7Å; R52-Y100 WeakPolarHBondContact CB-OH 3.36Å; R52-Y100 HydrophobicContact CG-CD1 4.22Å; R52-Y100 HydrophobicContact CG-CD2 3.96Å; R52-Y100 HydrophobicContact CG-CE1 3.91Å; R52-Y100 HydrophobicContact CG-CE2 3.68Å; R52-Y100 HydrophobicContact CG-CG 4.22Å; R52-Y100 WeakPolarHBondContact CG-O 3.34Å; R52-Y100 PolarHBondContact N-OH 2.8Å; R52-Y100 VanDerWaalsContact N-OH 3.13Å; R52-Y100 PolarHBondContact NE-O 3.08Å; R52-Y100 PolarHBondContact NH2-O 2.97Å; R52-I102 HydrophobicContact CB-CB 4.15Å; R52-I102 HydrophobicContact CB-CG2 3.35Å; R52-I102 HydrophobicContact CG-CG2 4.1Å; R52-S354 WeakPolarHBondContact CA-OG 3.45Å |
| 53 | A | 95.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M60 I61 V62 S354 V356 | A53-M60 HydrophobicContact CB-CE 3.78Å; A53-M60 HydrophobicContact CB-CG 4.4Å; A53-I61 CarbonylContact C-O 3.52Å; A53-I61 WeakPolarHBondContact CA-O 3.39Å; A53-I61 WeakPolarHBondContact CB-O 3.38Å; A53-V62 HydrophobicContact CB-CG2 3.95Å; A53-S354 PolarHBondContact N-OG 3.05Å; A53-V356 HydrophobicContact CB-CG1 3.79Å; A53-V356 WeakPolarHBondContact O-CG1 3.2Å |
| 54 | V | 96.1 | Very high | 93 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.073 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.1 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | I61 I102 C104 I109 | V54-I61 HydrophobicContact CG2-CB 4.1Å; V54-I61 PolarHBondContact N-O 2.86Å; V54-I61 PolarHBondContact O-N 2.92Å; V54-I102 HydrophobicContact CG1-CB 4.33Å; V54-I102 HydrophobicContact CG1-CD1 4.06Å; V54-I102 HydrophobicContact CG1-CG1 3.94Å; V54-I102 HydrophobicContact CG1-CG2 3.65Å; V54-C104 HydrophobicContact CB-CB 4.12Å; V54-C104 HydrophobicContact CG1-CB 4.46Å; V54-C104 HydrophobicContact CG2-CB 4.27Å; V54-I109 HydrophobicContact CG2-CD1 3.77Å; V54-I109 HydrophobicContact CG2-CG1 3.99Å; V54-I109 HydrophobicContact CG2-CG2 3.96Å |
| 55 | A | 95.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 29% | 0.289 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L59 V356 I358 | A55-L59 CarbonylContact C-O 3.59Å; A55-L59 WeakPolarHBondContact CA-O 3.29Å; A55-V356 HydrophobicContact CB-CB 4.49Å; A55-I358 HydrophobicContact CB-CD1 4.21Å; A55-I358 HydrophobicContact CB-CG1 3.7Å |
| 56 | I | 92 | Very high | 93 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 5% | 0.046 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 95.9 | 162.2 | -61.9 | -176.3 | 0 | 0 | 0 | 107.2 | E58 L59 I61 C104 I109 A130 | I56-E58 PolarHBondContact O-N 2.89Å; I56-L59 PolarHBondContact N-O 3.13Å; I56-L59 WeakPolarHBondContact O-CB 3.32Å; I56-L59 PolarHBondContact O-N 3.35Å; I56-I61 HydrophobicContact CB-CD1 4.26Å; I56-I61 HydrophobicContact CD1-CD1 3.59Å; I56-I61 HydrophobicContact CG1-CD1 3.86Å; I56-C104 VanDerWaalsContact CG1-SG 3.56Å; I56-I109 HydrophobicContact CD1-CD1 3.96Å; I56-I109 HydrophobicContact CD1-CG1 4.1Å; I56-A130 HydrophobicContact CD1-CB 3.51Å |
| 57 | K | 87.4 | Confident | 92.6 | Very high | 98 Ų | 98 | 21.5 Ų | 21.5 | 43% | 0.426 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -104.3 | -168.3 | -70.5 | -178.7 | 156.3 | -173.9 | 0 | 112.2 | I358 G704 S706 | K57-I358 WeakPolarHBondContact O-CG2 3.3Å; K57-G704 WeakPolarHBondContact CE-O 3.44Å; K57-G704 PolarHBondContact NZ-O 2.85Å; K57-S706 WeakPolarHBondContact CD-O 3.26Å; K57-S706 WeakPolarHBondContact CE-O 3.07Å; K57-S706 WeakPolarHBondContact CG-OG 3.38Å; K57-S706 PolarHBondContact NZ-O 3.04Å |
| 58 | E | 87.5 | Confident | 92.1 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 17% | 0.173 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 7.1 | -173.1 | -58.2 | -71 | -177.3 | 0 | 0 | 110.8 | I56 N78 T79 I80 I358 N359 | I56-E58 PolarHBondContact O-N 2.89Å; E58-N78 WeakPolarHBondContact O-CA 3.35Å; E58-T79 WeakPolarHBondContact CA-OG1 3.31Å; E58-T79 VanDerWaalsContact CB-OG1 3.3Å; E58-T79 WeakPolarHBondContact CB-OG1 3.38Å; E58-T79 PolarHBondContact O-N 2.89Å; E58-T79 PolarHBondContact O-OG1 3.22Å; E58-T79 PolarHBondContact OE2-OG1 2.89Å; E58-I80 HydrophobicContact CB-CD1 4.19Å; E58-I80 HydrophobicContact CB-CG1 4.17Å; E58-I80 HydrophobicContact CG-CD1 3.62Å; E58-I80 HydrophobicContact CG-CG1 3.99Å; E58-I358 WeakPolarHBondContact OE2-CG2 3.48Å; E58-N359 VanDerWaalsContact CD-ND2 3.26Å; E58-N359 PolarHBondContact OE1-ND2 2.87Å; E58-N359 PolarHBondContact OE2-ND2 2.91Å |
| 59 | L | 94.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.188 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.1 | 174.2 | -55.3 | -178.4 | 0 | 0 | 0 | 109.4 | A55 I56 I61 V76 Y77 N78 F85 | A55-L59 CarbonylContact C-O 3.59Å; A55-L59 WeakPolarHBondContact CA-O 3.29Å; I56-L59 PolarHBondContact N-O 3.13Å; I56-L59 WeakPolarHBondContact O-CB 3.32Å; I56-L59 PolarHBondContact O-N 3.35Å; L59-I61 HydrophobicContact CB-CG1 4.41Å; L59-V76 HydrophobicContact CB-CG1 3.98Å; L59-V76 HydrophobicContact CD1-CG1 4.35Å; L59-V76 HydrophobicContact CD2-CG1 4.24Å; L59-V76 HydrophobicContact CG-CG1 4.42Å; L59-Y77 CarbonylContact C-O 3.55Å; L59-Y77 WeakPolarHBondContact CA-O 3.46Å; L59-N78 HydrophobicContact CD2-CB 3.77Å; L59-F85 HydrophobicContact CD2-CE1 4.35Å |
| 60 | M | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.6 | 163.7 | 172.9 | 173.1 | -178.1 | 0 | 0 | 108 | A53 V62 V76 Y77 V356 I358 F363 W365 M384 | A53-M60 HydrophobicContact CB-CE 3.78Å; A53-M60 HydrophobicContact CB-CG 4.4Å; M60-V62 HydrophobicContact CE-CG2 4.01Å; M60-V62 HydrophobicContact CG-CG2 4.09Å; M60-V76 CarbonylContact O-C 3.6Å; M60-V76 WeakPolarHBondContact O-CA 3.23Å; M60-Y77 HydrophobicContact CB-CD1 4.37Å; M60-Y77 PolarHBondContact N-O 2.76Å; M60-Y77 PolarHBondContact O-N 2.98Å; M60-V356 HydrophobicContact CB-CG2 4.2Å; M60-V356 HydrophobicContact CE-CG2 4.2Å; M60-V356 HydrophobicContact CG-CG2 3.78Å; M60-V356 HydrophobicContact SD-CG2 3.74Å; M60-I358 HydrophobicContact CB-CD1 4.09Å; M60-F363 HydrophobicContact SD-CB 4.08Å; M60-W365 HydrophobicContact CE-CB 3.77Å; M60-M384 HydrophobicContact SD-SD 4.22Å |
| 61 | I | 95.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.7 | -177.3 | -61.2 | 171.3 | 0 | 0 | 0 | 107.7 | A53 V54 I56 L59 L74 V76 I109 W133 | A53-I61 CarbonylContact C-O 3.52Å; A53-I61 WeakPolarHBondContact CA-O 3.39Å; A53-I61 WeakPolarHBondContact CB-O 3.38Å; V54-I61 HydrophobicContact CG2-CB 4.1Å; V54-I61 PolarHBondContact N-O 2.86Å; V54-I61 PolarHBondContact O-N 2.92Å; I56-I61 HydrophobicContact CB-CD1 4.26Å; I56-I61 HydrophobicContact CD1-CD1 3.59Å; I56-I61 HydrophobicContact CG1-CD1 3.86Å; L59-I61 HydrophobicContact CB-CG1 4.41Å; I61-L74 HydrophobicContact CG2-CD1 3.65Å; I61-L74 HydrophobicContact CG2-CG 4.36Å; I61-V76 HydrophobicContact CG1-CB 4.5Å; I61-V76 HydrophobicContact CG1-CG1 3.89Å; I61-V76 HydrophobicContact CG1-CG2 4.05Å; I61-V76 HydrophobicContact CG2-CG2 4.34Å; I61-I109 HydrophobicContact CB-CD1 4.34Å; I61-I109 HydrophobicContact CD1-CD1 3.61Å; I61-I109 HydrophobicContact CG2-CD1 3.96Å; I61-W133 HydrophobicContact CD1-CH2 4.01Å; I61-W133 HydrophobicContact CD1-CZ3 4.33Å |
| 62 | V | 95.3 | Very high | 91 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.3 | -171.8 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | H51 A53 M60 H75 W84 W365 | H51-V62 HydrophobicContact CB-CG1 4.42Å; A53-V62 HydrophobicContact CB-CG2 3.95Å; M60-V62 HydrophobicContact CE-CG2 4.01Å; M60-V62 HydrophobicContact CG-CG2 4.09Å; V62-H75 PolarHBondContact N-O 2.88Å; V62-H75 PolarHBondContact O-N 2.94Å; V62-W84 HydrophobicContact CG2-CH2 4.05Å; V62-W84 HydrophobicContact CG2-CZ3 4.04Å; V62-W365 HydrophobicContact CG1-CE3 3.79Å; V62-W365 HydrophobicContact CG1-CZ3 3.66Å |
| 63 | F | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 166.6 | 179.9 | -173.7 | -100.9 | 0 | 0 | 0 | 110.7 | H51 R52 D72 L74 P94 Y100 L111 W135 | H51-F63 WeakPolarHBondContact CA-O 3.47Å; H51-F63 VanDerWaalsContact CB-O 3.25Å; H51-F63 WeakPolarHBondContact CB-O 3.34Å; R52-F63 PolarHBondContact N-O 3.11Å; R52-F63 PolarHBondContact O-N 2.9Å; R52-F63 VanDerWaalsContact O-N 3.12Å; F63-D72 WeakPolarHBondContact CE2-O 3.42Å; F63-L74 HydrophobicContact CB-CD1 3.92Å; F63-L74 HydrophobicContact CD2-CB 4.07Å; F63-L74 HydrophobicContact CD2-CD1 3.8Å; F63-L74 HydrophobicContact CG-CD1 4.29Å; F63-P94 HydrophobicContact CE1-CB 4.2Å; F63-P94 HydrophobicContact CE1-CG 4.38Å; F63-P94 HydrophobicContact CZ-CB 3.95Å; F63-P94 HydrophobicContact CZ-CG 4Å; F63-Y100 WeakPolarHBondContact CB-OH 3.4Å; F63-Y100 HydrophobicContact CD1-CE2 4.45Å; F63-Y100 PolarHBondContact O-OH 3.45Å; F63-L111 HydrophobicContact CD1-CD1 3.5Å; F63-L111 HydrophobicContact CE1-CD1 3.57Å; F63-W135 HydrophobicContact CD2-CZ2 4.06Å; F63-W135 AromaticContact CE2-CZ2 3.9Å; F63-W135 HydrophobicContact CE2-CZ2 3.9Å; F63-W135 HydrophobicContact CZ-CZ2 4.29Å |
| 64 | G | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 65.4 | -159 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115 | R48 V71 C97 | R48-G64 WeakPolarHBondContact CD-O 3.49Å; R48-G64 PolarHBondContact NH1-O 3.35Å; G64-V71 CarbonylContact C-O 3.6Å; G64-V71 WeakPolarHBondContact CA-O 3.42Å; G64-C97 CarbonylContact C-O 3.52Å; G64-C97 VanDerWaalsContact CA-O 3.26Å; G64-C97 WeakPolarHBondContact CA-O 3.29Å | ||
| 65 | G | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 76.3 | 168.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H49 V71 C97 | H49-G65 CarbonylContact O-C 3.6Å; H49-G65 VanDerWaalsContact O-CA 3.23Å; H49-G65 WeakPolarHBondContact O-CA 3.4Å; G65-V71 PolarHBondContact O-N 3.15Å; G65-C97 PolarHBondContact N-O 2.81Å | ||
| 66 | G | 87.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -152.6 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R48 H49 G69 | R48-G66 CarbonylContact C-O 3.5Å; R48-G66 VanDerWaalsContact CA-O 3.31Å; R48-G66 WeakPolarHBondContact CA-O 3.34Å; R48-G66 WeakPolarHBondContact CB-O 3.35Å; H49-G66 PolarHBondContact N-O 2.64Å; H49-G66 PolarHBondContact O-N 2.85Å; G66-G69 WeakPolarHBondContact CA-O 3.46Å |
| 67 | N | 82 | Confident | 90.8 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -147.7 | -60.9 | 164 | -164 | 78.6 | 0 | 0 | 0 | 108 | G69 Q378 C380 | N67-G69 PolarHBondContact N-O 3.4Å; N67-Q378 PolarHBondContact ND2-O 3.41Å; N67-Q378 PolarHBondContact OD1-O 2.65Å; N67-C380 PolarHBondContact OD1-SG 3.42Å |
| 68 | E | 79.7 | Confident | 91 | Very high | 175 Ų | 175 | 30.5 Ų | 30.5 | 82% | 0.818 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -105.3 | 85.6 | 165.8 | -67.7 | 125.9 | -111.9 | 0 | 0 | 108.5 | ||
| 69 | G | 83.3 | Confident | 91.1 | Very high | 54 Ų | 54 | 29.8 Ų | 29.8 | 56% | 0.557 | 17% | 0.166 | S | C | * | . | S | Bend | trans | 79.3 | 171.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G66 N67 | G66-G69 WeakPolarHBondContact CA-O 3.46Å; N67-G69 PolarHBondContact N-O 3.4Å |
| 70 | I | 88.8 | Confident | 90.6 | Very high | 51 Ų | 51 | 30 Ų | 30 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | B | Isolated β-bridge | trans | -102 | 142.4 | -178.8 | -46.8 | -171.9 | 0 | 0 | 0 | 109.8 | G96 A98 M115 | I70-G96 VanDerWaalsContact CG2-C 3.43Å; I70-A98 HydrophobicContact CD1-CB 4.08Å; I70-A98 HydrophobicContact CG2-CB 4.41Å; I70-M115 HydrophobicContact CD1-CE 3.96Å; I70-M115 WeakPolarHBondContact CD1-O 3.43Å |
| 71 | V | 89.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 33 Ų | 33 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | trans | -113.6 | 141.7 | -170.3 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | G64 G65 E73 G96 | G64-V71 CarbonylContact C-O 3.6Å; G64-V71 WeakPolarHBondContact CA-O 3.42Å; G65-V71 PolarHBondContact O-N 3.15Å; V71-E73 HydrophobicContact CG1-CB 3.78Å; V71-E73 HydrophobicContact CG1-CG 3.51Å; V71-E73 VanDerWaalsContact CG1-OE2 3.26Å; V71-E73 WeakPolarHBondContact CG1-OE2 3.25Å; V71-G96 WeakPolarHBondContact O-CA 3.44Å | ||
| 72 | D | 89.4 | Confident | 90 | Very high | 90 Ų | 90 | 35 Ų | 35 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | trans | -100.7 | -8.5 | -180 | 62.2 | -17.4 | 0 | 0 | 0 | 114.1 | F63 L74 | F63-D72 WeakPolarHBondContact CE2-O 3.42Å; D72-L74 PolarHBondContact O-N 3.36Å | ||
| 73 | E | 88.5 | Confident | 89.8 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | trans | -62.8 | 117.2 | -178.2 | -57.3 | 160.4 | 169.4 | 0 | 0 | 114 | R46 R48 V71 H75 | R46-E73 IonicContact CZ-OE1 2.7Å; R46-E73 IonicContact CZ-OE2 3.71Å; R46-E73 IonicContact NH1-OE1 3.06Å; R46-E73 PolarHBondContact NH1-OE1 3.49Å; R46-E73 IonicContact NH1-OE2 3.85Å; R46-E73 PolarHBondContact NH1-OE2 2.9Å; R46-E73 IonicContact NH2-OE1 2.71Å; R46-E73 PolarHBondContact NH2-OE1 2.8Å; R46-E73 IonicContact NH2-OE2 3.31Å; R46-E73 PolarHBondContact NH2-OE2 3.41Å; R48-E73 IonicContact NH2-OE2 2.75Å; R48-E73 PolarHBondContact NH2-OE2 3.2Å; V71-E73 HydrophobicContact CG1-CB 3.78Å; V71-E73 HydrophobicContact CG1-CG 3.51Å; V71-E73 VanDerWaalsContact CG1-OE2 3.26Å; V71-E73 WeakPolarHBondContact CG1-OE2 3.25Å; E73-H75 PolarHBondContact O-ND1 2.83Å; E73-H75 IonicContact OE2-CE1 3.47Å; E73-H75 PolarHBondContact OE2-CE1 3.29Å | ||
| 74 | L | 93.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -78.9 | 121.9 | 169.4 | -172.1 | 71.8 | 0 | 0 | 0 | 111.5 | I61 F63 D72 P87 V89 L128 W133 | I61-L74 HydrophobicContact CG2-CD1 3.65Å; I61-L74 HydrophobicContact CG2-CG 4.36Å; F63-L74 HydrophobicContact CB-CD1 3.92Å; F63-L74 HydrophobicContact CD2-CB 4.07Å; F63-L74 HydrophobicContact CD2-CD1 3.8Å; F63-L74 HydrophobicContact CG-CD1 4.29Å; D72-L74 PolarHBondContact O-N 3.36Å; L74-P87 HydrophobicContact CD2-CG 3.89Å; L74-P87 HydrophobicContact CG-CG 4.38Å; L74-V89 HydrophobicContact CB-CG1 4.37Å; L74-V89 HydrophobicContact CD2-CG1 3.57Å; L74-L128 HydrophobicContact CD1-CD2 4.33Å; L74-L128 HydrophobicContact CD2-CD2 3.49Å; L74-L128 VanDerWaalsContact CD2-CD2 3.49Å; L74-W133 HydrophobicContact CD2-CE3 3.9Å; L74-W133 HydrophobicContact CD2-CZ3 3.9Å | ||
| 75 | H | 95.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.4 | 177.6 | -75.3 | 76.3 | 0 | 0 | 0 | 111.7 | P45 V62 E73 W84 | P45-H75 HydrophobicContact CB-CB 4.18Å; P45-H75 HydrophobicContact CG-CB 4.09Å; V62-H75 PolarHBondContact N-O 2.88Å; V62-H75 PolarHBondContact O-N 2.94Å; E73-H75 PolarHBondContact O-ND1 2.83Å; E73-H75 IonicContact OE2-CE1 3.47Å; E73-H75 PolarHBondContact OE2-CE1 3.29Å; H75-W84 HydrophobicContact CB-CE3 4.08Å; H75-W84 HydrophobicContact CB-CZ3 3.99Å |
| 76 | V | 96.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 124.8 | -179.1 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | L59 M60 I61 W84 F85 P87 W133 | L59-V76 HydrophobicContact CB-CG1 3.98Å; L59-V76 HydrophobicContact CD1-CG1 4.35Å; L59-V76 HydrophobicContact CD2-CG1 4.24Å; L59-V76 HydrophobicContact CG-CG1 4.42Å; M60-V76 CarbonylContact O-C 3.6Å; M60-V76 WeakPolarHBondContact O-CA 3.23Å; I61-V76 HydrophobicContact CG1-CB 4.5Å; I61-V76 HydrophobicContact CG1-CG1 3.89Å; I61-V76 HydrophobicContact CG1-CG2 4.05Å; I61-V76 HydrophobicContact CG2-CG2 4.34Å; V76-W84 CarbonylContact O-C 3.6Å; V76-W84 VanDerWaalsContact O-CA 3.3Å; V76-W84 WeakPolarHBondContact O-CA 3.32Å; V76-F85 HydrophobicContact CB-CD1 4.17Å; V76-F85 HydrophobicContact CB-CD2 4.18Å; V76-F85 HydrophobicContact CB-CE1 3.78Å; V76-F85 HydrophobicContact CB-CE2 3.79Å; V76-F85 HydrophobicContact CB-CG 4.37Å; V76-F85 HydrophobicContact CB-CZ 3.59Å; V76-F85 HydrophobicContact CG1-CD1 4.37Å; V76-F85 HydrophobicContact CG1-CE1 3.55Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å; V76-F85 HydrophobicContact CG1-CZ 3.38Å; V76-F85 HydrophobicContact CG2-CE2 4.1Å; V76-F85 HydrophobicContact CG2-CZ 4.24Å; V76-F85 PolarHBondContact N-O 2.95Å; V76-F85 WeakPolarHBondContact O-CD1 3.31Å; V76-F85 PolarHBondContact O-N 2.87Å; V76-P87 HydrophobicContact CG2-CG 3.87Å; V76-W133 HydrophobicContact CG2-CH2 3.72Å; V76-W133 HydrophobicContact CG2-CZ2 4.43Å; V76-W133 HydrophobicContact CG2-CZ3 4.15Å |
| 77 | Y | 96.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.4 | 174.9 | 172.9 | -110.4 | 0 | 0 | 0 | 111.2 | L59 M60 T79 N82 Q83 W84 F363 M384 | L59-Y77 CarbonylContact C-O 3.55Å; L59-Y77 WeakPolarHBondContact CA-O 3.46Å; M60-Y77 HydrophobicContact CB-CD1 4.37Å; M60-Y77 PolarHBondContact N-O 2.76Å; M60-Y77 PolarHBondContact O-N 2.98Å; Y77-T79 HydrophobicContact CD1-CG2 4.27Å; Y77-T79 HydrophobicContact CE1-CG2 3.95Å; Y77-N82 PolarHBondContact OH-OD1 3.06Å; Y77-Q83 WeakPolarHBondContact CA-O 3.2Å; Y77-W84 HydrophobicContact CD2-CD2 4.15Å; Y77-W84 AromaticContact CD2-CE2 3.98Å; Y77-W84 HydrophobicContact CD2-CG 4.19Å; Y77-W84 AromaticContact CD2-NE1 3.91Å; Y77-W84 HydrophobicContact CG-CD2 4.35Å; Y77-W84 HydrophobicContact CG-CZ2 4.33Å; Y77-F363 HydrophobicContact CE1-CD1 4.41Å; Y77-F363 HydrophobicContact CE1-CE1 4.06Å; Y77-M384 HydrophobicContact CD1-CE 3.63Å; Y77-M384 HydrophobicContact CD1-SD 3.91Å; Y77-M384 HydrophobicContact CD2-CE 3.61Å; Y77-M384 HydrophobicContact CE1-CE 3.57Å; Y77-M384 HydrophobicContact CE1-SD 4.14Å; Y77-M384 HydrophobicContact CE2-CE 3.55Å; Y77-M384 HydrophobicContact CG-CE 3.65Å; Y77-M384 HydrophobicContact CG-SD 4.25Å |
| 78 | N | 92.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112 | 177 | -177.1 | -38.7 | 0 | 0 | 0 | 110.7 | E58 L59 I80 T81 N82 Q83 | E58-N78 WeakPolarHBondContact O-CA 3.35Å; L59-N78 HydrophobicContact CD2-CB 3.77Å; N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 3.22Å; N78-I80 WeakPolarHBondContact OD1-CA 3.38Å; N78-I80 WeakPolarHBondContact OD1-CB 3.41Å; N78-I80 PolarHBondContact OD1-N 3.4Å; N78-T81 WeakPolarHBondContact CB-OG1 3.46Å; N78-T81 VanDerWaalsContact CG-OG1 3.26Å; N78-T81 PolarHBondContact O-N 2.95Å; N78-T81 PolarHBondContact OD1-N 3Å; N78-T81 PolarHBondContact OD1-OG1 2.9Å; N78-N82 WeakPolarHBondContact O-CA 3.2Å; N78-N82 PolarHBondContact O-N 2.82Å; N78-Q83 PolarHBondContact N-O 3.02Å; N78-Q83 PolarHBondContact O-N 3.18Å |
| 79 | T | 88.9 | Confident | 91.2 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.4 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | E58 Y77 I358 F363 | E58-T79 WeakPolarHBondContact CA-OG1 3.31Å; E58-T79 VanDerWaalsContact CB-OG1 3.3Å; E58-T79 WeakPolarHBondContact CB-OG1 3.38Å; E58-T79 PolarHBondContact O-N 2.89Å; E58-T79 PolarHBondContact O-OG1 3.22Å; E58-T79 PolarHBondContact OE2-OG1 2.89Å; Y77-T79 HydrophobicContact CD1-CG2 4.27Å; Y77-T79 HydrophobicContact CE1-CG2 3.95Å; T79-I358 HydrophobicContact CG2-CD1 3.69Å; T79-I358 HydrophobicContact CG2-CG2 4.2Å; T79-F363 HydrophobicContact CG2-CD2 4.46Å; T79-F363 HydrophobicContact CG2-CE1 4Å; T79-F363 HydrophobicContact CG2-CE2 3.78Å; T79-F363 HydrophobicContact CG2-CZ 3.51Å |
| 80 | I | 83.1 | Confident | 91.6 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -35.3 | -178.9 | -77.7 | -175.5 | 0 | 0 | 0 | 112 | E58 N78 R418 | E58-I80 HydrophobicContact CB-CD1 4.19Å; E58-I80 HydrophobicContact CB-CG1 4.17Å; E58-I80 HydrophobicContact CG-CD1 3.62Å; E58-I80 HydrophobicContact CG-CG1 3.99Å; N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 3.22Å; N78-I80 WeakPolarHBondContact OD1-CA 3.38Å; N78-I80 WeakPolarHBondContact OD1-CB 3.41Å; N78-I80 PolarHBondContact OD1-N 3.4Å; I80-R418 HydrophobicContact CG1-CB 4.49Å |
| 81 | T | 87.3 | Confident | 91.9 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -15.4 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | N78 Q83 | N78-T81 WeakPolarHBondContact CB-OG1 3.46Å; N78-T81 VanDerWaalsContact CG-OG1 3.26Å; N78-T81 PolarHBondContact O-N 2.95Å; N78-T81 PolarHBondContact OD1-N 3Å; N78-T81 PolarHBondContact OD1-OG1 2.9Å; T81-Q83 WeakPolarHBondContact O-CG 3.32Å; T81-Q83 WeakPolarHBondContact OG1-CG 3.44Å; T81-Q83 PolarHBondContact OG1-OE1 3.02Å |
| 82 | N | 90.4 | Very high | 92 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 46.2 | -170.3 | -167.2 | 27.8 | 0 | 0 | 0 | 111.8 | V37 I38 N39 S40 S41 Y77 N78 | V37-N82 VanDerWaalsContact CG1-OD1 3.27Å; V37-N82 WeakPolarHBondContact CG1-OD1 3.34Å; I38-N82 PolarHBondContact O-ND2 3.11Å; N39-N82 PolarHBondContact O-ND2 2.8Å; N39-N82 VanDerWaalsContact O-ND2 3.17Å; S40-N82 VanDerWaalsContact CA-O 3.28Å; S40-N82 WeakPolarHBondContact CA-O 3.12Å; S40-N82 WeakPolarHBondContact CB-OD1 3.49Å; S41-N82 PolarHBondContact N-O 3.48Å; S41-N82 VanDerWaalsContact N-O 3.14Å; Y77-N82 PolarHBondContact OH-OD1 3.06Å; N78-N82 WeakPolarHBondContact O-CA 3.2Å; N78-N82 PolarHBondContact O-N 2.82Å |
| 83 | Q | 92.1 | Very high | 92.2 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.6 | -176 | -49.8 | -169.7 | -71.9 | 0 | 0 | 112.1 | S41 Y77 N78 T81 | S41-Q83 CarbonylContact O-C 3.57Å; S41-Q83 VanDerWaalsContact O-CA 3.23Å; S41-Q83 WeakPolarHBondContact O-CA 3.46Å; S41-Q83 VanDerWaalsContact OG-CG 3.3Å; S41-Q83 WeakPolarHBondContact OG-CG 3.37Å; S41-Q83 PolarHBondContact OG-NE2 2.8Å; Y77-Q83 WeakPolarHBondContact CA-O 3.2Å; N78-Q83 PolarHBondContact N-O 3.02Å; N78-Q83 PolarHBondContact O-N 3.18Å; T81-Q83 WeakPolarHBondContact O-CG 3.32Å; T81-Q83 WeakPolarHBondContact OG1-CG 3.44Å; T81-Q83 PolarHBondContact OG1-OE1 3.02Å |
| 84 | W | 94.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 148.9 | 163.6 | -69.6 | 97.1 | 0 | 0 | 0 | 110.5 | S41 P43 P45 V62 H75 V76 Y77 W365 M384 | S41-W84 PolarHBondContact O-N 2.82Å; P43-W84 WeakPolarHBondContact O-CB 3.46Å; P45-W84 HydrophobicContact CG-CD2 4.29Å; P45-W84 HydrophobicContact CG-CE3 3.93Å; P45-W84 HydrophobicContact CG-CH2 3.71Å; P45-W84 HydrophobicContact CG-CZ2 4.06Å; P45-W84 HydrophobicContact CG-CZ3 3.64Å; V62-W84 HydrophobicContact CG2-CH2 4.05Å; V62-W84 HydrophobicContact CG2-CZ3 4.04Å; H75-W84 HydrophobicContact CB-CE3 4.08Å; H75-W84 HydrophobicContact CB-CZ3 3.99Å; V76-W84 CarbonylContact O-C 3.6Å; V76-W84 VanDerWaalsContact O-CA 3.3Å; V76-W84 WeakPolarHBondContact O-CA 3.32Å; Y77-W84 HydrophobicContact CD2-CD2 4.15Å; Y77-W84 AromaticContact CD2-CE2 3.98Å; Y77-W84 HydrophobicContact CD2-CG 4.19Å; Y77-W84 AromaticContact CD2-NE1 3.91Å; Y77-W84 HydrophobicContact CG-CD2 4.35Å; Y77-W84 HydrophobicContact CG-CZ2 4.33Å; W84-W365 HydrophobicContact CH2-CD2 4.48Å; W84-M384 HydrophobicContact CH2-SD 4.37Å; W84-M384 HydrophobicContact CZ2-CE 3.68Å; W84-M384 HydrophobicContact CZ2-SD 3.74Å |
| 85 | F | 93.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 46 Ų | 46 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.3 | 165.3 | 64.2 | -85 | 0 | 0 | 0 | 110.6 | L59 V76 P87 W133 | L59-F85 HydrophobicContact CD2-CE1 4.35Å; V76-F85 HydrophobicContact CB-CD1 4.17Å; V76-F85 HydrophobicContact CB-CD2 4.18Å; V76-F85 HydrophobicContact CB-CE1 3.78Å; V76-F85 HydrophobicContact CB-CE2 3.79Å; V76-F85 HydrophobicContact CB-CG 4.37Å; V76-F85 HydrophobicContact CB-CZ 3.59Å; V76-F85 HydrophobicContact CG1-CD1 4.37Å; V76-F85 HydrophobicContact CG1-CE1 3.55Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å; V76-F85 HydrophobicContact CG1-CZ 3.38Å; V76-F85 HydrophobicContact CG2-CE2 4.1Å; V76-F85 HydrophobicContact CG2-CZ 4.24Å; V76-F85 PolarHBondContact N-O 2.95Å; V76-F85 WeakPolarHBondContact O-CD1 3.31Å; V76-F85 PolarHBondContact O-N 2.87Å; F85-P87 HydrophobicContact CD2-CB 4.43Å; F85-P87 HydrophobicContact CE2-CB 4.27Å; F85-W133 HydrophobicContact CE2-CZ2 4.23Å |
| 86 | V | 94.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 46 Ų | 46 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -103.5 | 112.2 | 169.8 | 172.7 | 0 | 0 | 0 | 0 | 107 | P43 | P43-V86 HydrophobicContact CB-CG2 4.22Å; P43-V86 HydrophobicContact CG-CG2 4.06Å | ||
| 87 | P | 93.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | trans | -73.4 | 143.3 | 175.6 | 30.4 | -34.6 | 0 | 0 | 0 | 110.8 | L74 V76 F85 V89 W133 | L74-P87 HydrophobicContact CD2-CG 3.89Å; L74-P87 HydrophobicContact CG-CG 4.38Å; V76-P87 HydrophobicContact CG2-CG 3.87Å; F85-P87 HydrophobicContact CD2-CB 4.43Å; F85-P87 HydrophobicContact CE2-CB 4.27Å; P87-V89 HydrophobicContact CG-CG1 4.48Å; P87-V89 PolarHBondContact O-N 2.9Å; P87-W133 HydrophobicContact CB-CB 4.47Å; P87-W133 HydrophobicContact CB-CD2 3.46Å; P87-W133 VanDerWaalsContact CB-CD2 3.46Å; P87-W133 HydrophobicContact CB-CE3 3.9Å; P87-W133 HydrophobicContact CB-CG 3.7Å; P87-W133 HydrophobicContact CB-CZ2 4.12Å; P87-W133 HydrophobicContact CB-CZ3 4.42Å; P87-W133 HydrophobicContact CG-CD2 3.8Å; P87-W133 HydrophobicContact CG-CE3 3.67Å; P87-W133 HydrophobicContact CG-CG 4.44Å; P87-W133 HydrophobicContact CG-CH2 4.2Å; P87-W133 HydrophobicContact CG-CZ2 4.29Å; P87-W133 HydrophobicContact CG-CZ3 3.89Å | ||
| 88 | A | 91 | Very high | 91.7 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 69% | 0.686 | 27% | 0.267 | S | S | * | . | trans | -70.5 | 97.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 89 | V | 92.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -81.5 | 155.3 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | L74 P87 I93 W133 | L74-V89 HydrophobicContact CB-CG1 4.37Å; L74-V89 HydrophobicContact CD2-CG1 3.57Å; P87-V89 HydrophobicContact CG-CG1 4.48Å; P87-V89 PolarHBondContact O-N 2.9Å; V89-I93 HydrophobicContact CG2-CD1 3.93Å; V89-I93 HydrophobicContact CG2-CG1 4.23Å; V89-W133 WeakPolarHBondContact CA-O 3.4Å; V89-W133 HydrophobicContact CG1-CB 4.38Å | ||
| 90 | R | 93.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 44.2 Ų | 44.2 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 173.6 | 173.4 | 67.9 | 177.7 | 178.6 | -70.8 | -10.1 | 110.9 | K132 W133 E134 W135 | R90-K132 PolarHBondContact NH1-O 3.17Å; R90-K132 PolarHBondContact NH2-O 2.82Å; R90-K132 VanDerWaalsContact NH2-O 3.13Å; R90-W133 PolarHBondContact N-O 3.17Å; R90-W133 VanDerWaalsContact N-O 3.12Å; R90-E134 HydrophobicContact CG-CB 4.5Å; R90-E134 HydrophobicContact CG-CG 4.34Å; R90-E134 IonicContact CZ-OE2 2.67Å; R90-E134 IonicContact NE-OE2 2.71Å; R90-E134 PolarHBondContact NE-OE2 2.78Å; R90-E134 IonicContact NH2-OE2 3.11Å; R90-E134 PolarHBondContact NH2-OE2 3.18Å; R90-E134 CarbonylContact O-C 3.57Å; R90-E134 WeakPolarHBondContact O-CA 3.4Å; R90-W135 PolarHBondContact O-N 3.32Å |
| 91 | G | 93.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.9 | -147.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I93 W135 | G91-I93 VanDerWaalsContact C-N 3.26Å; G91-I93 PolarHBondContact O-N 2.87Å; G91-W135 WeakPolarHBondContact CA-O 3.48Å |
| 92 | D | 93 | Very high | 93.2 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -84.8 | 71.6 | -173 | -42.9 | -40 | 0 | 0 | 0 | 109.5 | Y126 W135 R136 R137 | D92-Y126 HydrophobicContact CB-CE1 4.49Å; D92-Y126 VanDerWaalsContact O-CD1 3.27Å; D92-Y126 WeakPolarHBondContact O-CD1 3.28Å; D92-Y126 VanDerWaalsContact O-CE1 3.25Å; D92-Y126 WeakPolarHBondContact O-CE1 3.36Å; D92-W135 PolarHBondContact N-O 2.88Å; D92-W135 WeakPolarHBondContact O-CB 3.47Å; D92-R136 WeakPolarHBondContact OD2-CA 3.33Å; D92-R137 HydrophobicContact CB-CB 3.96Å; D92-R137 PolarHBondContact OD2-N 2.85Å |
| 93 | I | 92.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 39 Ų | 39 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 126.3 | -175.2 | -60 | 169.5 | 0 | 0 | 0 | 109.3 | V89 G91 | V89-I93 HydrophobicContact CG2-CD1 3.93Å; V89-I93 HydrophobicContact CG2-CG1 4.23Å; G91-I93 VanDerWaalsContact C-N 3.26Å; G91-I93 PolarHBondContact O-N 2.87Å |
| 94 | P | 92.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 145.1 | 177.2 | -11.8 | 22.9 | 0 | 0 | 0 | 110.9 | F63 Y126 W135 | F63-P94 HydrophobicContact CE1-CB 4.2Å; F63-P94 HydrophobicContact CE1-CG 4.38Å; F63-P94 HydrophobicContact CZ-CB 3.95Å; F63-P94 HydrophobicContact CZ-CG 4Å; P94-Y126 HydrophobicContact CB-CD1 4.15Å; P94-Y126 HydrophobicContact CB-CD2 3.93Å; P94-Y126 HydrophobicContact CB-CE1 4.15Å; P94-Y126 HydrophobicContact CB-CE2 3.93Å; P94-Y126 HydrophobicContact CB-CG 4.03Å; P94-Y126 HydrophobicContact CG-CD1 3.78Å; P94-Y126 HydrophobicContact CG-CD2 4.11Å; P94-Y126 HydrophobicContact CG-CE1 4.21Å; P94-Y126 HydrophobicContact CG-CG 3.72Å; P94-W135 HydrophobicContact CG-CD2 3.81Å; P94-W135 HydrophobicContact CG-CE3 3.58Å; P94-W135 HydrophobicContact CG-CH2 3.8Å; P94-W135 HydrophobicContact CG-CZ2 3.99Å; P94-W135 HydrophobicContact CG-CZ3 3.59Å |
| 95 | P | 90.5 | Very high | 93 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 153.3 | 166.8 | 29.5 | -35.1 | 0 | 0 | 0 | 110.4 | C97 V116 | P95-C97 PolarHBondContact O-N 2.83Å; P95-V116 HydrophobicContact CB-CG1 4.14Å; P95-V116 HydrophobicContact CG-CG1 4.31Å |
| 96 | G | 88.1 | Confident | 92.6 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 127.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I70 V71 | I70-G96 VanDerWaalsContact CG2-C 3.43Å; V71-G96 WeakPolarHBondContact O-CA 3.44Å |
| 97 | C | 93.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | trans | -137.4 | 155.1 | -177.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | G64 G65 P95 Y100 M115 | G64-C97 CarbonylContact C-O 3.52Å; G64-C97 VanDerWaalsContact CA-O 3.26Å; G64-C97 WeakPolarHBondContact CA-O 3.29Å; G65-C97 PolarHBondContact N-O 2.81Å; P95-C97 PolarHBondContact O-N 2.83Å; C97-Y100 HydrophobicContact CB-CD1 4.18Å; C97-Y100 WeakPolarHBondContact O-CD1 3.45Å; C97-Y100 VanDerWaalsContact O-CE1 3.31Å; C97-Y100 WeakPolarHBondContact O-CE1 3.46Å; C97-M115 CarbonylContact C-O 3.48Å; C97-M115 WeakPolarHBondContact CA-O 3.48Å | ||
| 98 | A | 94.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -127.1 | 149.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G50 I70 Y100 G114 M115 | G50-A98 WeakPolarHBondContact O-CA 3.49Å; I70-A98 HydrophobicContact CD1-CB 4.08Å; I70-A98 HydrophobicContact CG2-CB 4.41Å; A98-Y100 PolarHBondContact O-N 2.91Å; A98-G114 WeakPolarHBondContact O-CA 3.1Å; A98-M115 PolarHBondContact N-O 2.94Å; A98-M115 PolarHBondContact O-N 2.84Å |
| 99 | A | 94.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 12% | 0.116 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 54.8 | 30.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G50 L153 G154 | G50-A99 PolarHBondContact O-N 3.06Å; A99-L153 HydrophobicContact CB-CB 4.23Å; A99-G154 PolarHBondContact O-N 3.43Å |
| 100 | Y | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -81.2 | 173.6 | 176.3 | 60.6 | -85.2 | 0 | 0 | 0 | 112.4 | R52 F63 C97 A98 I102 L111 G113 | R52-Y100 HydrophobicContact CB-CD2 4.45Å; R52-Y100 HydrophobicContact CB-CE1 4.27Å; R52-Y100 HydrophobicContact CB-CE2 3.7Å; R52-Y100 WeakPolarHBondContact CB-OH 3.36Å; R52-Y100 HydrophobicContact CG-CD1 4.22Å; R52-Y100 HydrophobicContact CG-CD2 3.96Å; R52-Y100 HydrophobicContact CG-CE1 3.91Å; R52-Y100 HydrophobicContact CG-CE2 3.68Å; R52-Y100 HydrophobicContact CG-CG 4.22Å; R52-Y100 WeakPolarHBondContact CG-O 3.34Å; R52-Y100 PolarHBondContact N-OH 2.8Å; R52-Y100 VanDerWaalsContact N-OH 3.13Å; R52-Y100 PolarHBondContact NE-O 3.08Å; R52-Y100 PolarHBondContact NH2-O 2.97Å; F63-Y100 WeakPolarHBondContact CB-OH 3.4Å; F63-Y100 HydrophobicContact CD1-CE2 4.45Å; F63-Y100 PolarHBondContact O-OH 3.45Å; C97-Y100 HydrophobicContact CB-CD1 4.18Å; C97-Y100 WeakPolarHBondContact O-CD1 3.45Å; C97-Y100 VanDerWaalsContact O-CE1 3.31Å; C97-Y100 WeakPolarHBondContact O-CE1 3.46Å; A98-Y100 PolarHBondContact O-N 2.91Å; Y100-I102 HydrophobicContact CD2-CB 4.32Å; Y100-I102 HydrophobicContact CE2-CB 3.93Å; Y100-I102 HydrophobicContact CE2-CD1 4.16Å; Y100-I102 HydrophobicContact CE2-CG1 4.39Å; Y100-L111 HydrophobicContact CD2-CD1 3.7Å; Y100-L111 HydrophobicContact CD2-CG 3.67Å; Y100-L111 HydrophobicContact CE2-CD1 3.46Å; Y100-L111 VanDerWaalsContact CE2-CD1 3.46Å; Y100-L111 HydrophobicContact CE2-CG 3.92Å; Y100-G113 WeakPolarHBondContact CB-O 3.18Å | ||
| 101 | G | 95.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 138.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L111 F112 H155 F157 | G101-L111 CarbonylContact O-C 3.57Å; G101-L111 WeakPolarHBondContact O-CA 3.48Å; G101-F112 PolarHBondContact N-O 2.74Å; G101-F112 PolarHBondContact O-N 3.06Å; G101-H155 WeakPolarHBondContact CA-NE2 3.2Å; G101-H155 PolarHBondContact N-CE1 2.91Å; G101-H155 PolarHBondContact N-NE2 3.31Å; G101-F157 VanDerWaalsContact CA-CB 3.49Å |
| 102 | I | 95.9 | Very high | 92.8 | Very high | 28 Ų | 28 | 22.1 Ų | 22.1 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.3 | 174.4 | -156.6 | 177.4 | 0 | 0 | 0 | 111.4 | R52 V54 Y100 I109 I110 | R52-I102 HydrophobicContact CB-CB 4.15Å; R52-I102 HydrophobicContact CB-CG2 3.35Å; R52-I102 HydrophobicContact CG-CG2 4.1Å; V54-I102 HydrophobicContact CG1-CB 4.33Å; V54-I102 HydrophobicContact CG1-CD1 4.06Å; V54-I102 HydrophobicContact CG1-CG1 3.94Å; V54-I102 HydrophobicContact CG1-CG2 3.65Å; Y100-I102 HydrophobicContact CD2-CB 4.32Å; Y100-I102 HydrophobicContact CE2-CB 3.93Å; Y100-I102 HydrophobicContact CE2-CD1 4.16Å; Y100-I102 HydrophobicContact CE2-CG1 4.39Å; I102-I109 HydrophobicContact CD1-CG2 3.65Å; I102-I109 HydrophobicContact CG1-CG2 3.73Å; I102-I110 CarbonylContact C-O 3.51Å; I102-I110 VanDerWaalsContact CA-O 3.3Å; I102-I110 WeakPolarHBondContact CA-O 3.5Å; I102-I110 WeakPolarHBondContact CG1-O 3.34Å |
| 103 | M | 94.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 165.8 | 173.5 | 57 | 123.5 | -71.2 | 0 | 0 | 111.4 | D105 I109 I110 F157 L159 I165 L194 | M103-D105 HydrophobicContact CE-CB 3.92Å; M103-I109 CarbonylContact O-C 3.53Å; M103-I109 WeakPolarHBondContact O-CA 3.43Å; M103-I110 HydrophobicContact CE-CB 4.33Å; M103-I110 HydrophobicContact CE-CD1 4.13Å; M103-I110 HydrophobicContact CE-CG1 4.3Å; M103-I110 HydrophobicContact CG-CB 4.22Å; M103-I110 PolarHBondContact N-O 2.9Å; M103-I110 PolarHBondContact O-N 2.83Å; M103-I110 HydrophobicContact SD-CB 4.36Å; M103-I110 HydrophobicContact SD-CD1 4.38Å; M103-F157 HydrophobicContact CB-CD1 4.25Å; M103-F157 HydrophobicContact CG-CD1 3.68Å; M103-F157 HydrophobicContact CG-CE1 3.49Å; M103-F157 VanDerWaalsContact CG-CE1 3.49Å; M103-L159 HydrophobicContact CB-CB 4.42Å; M103-L159 HydrophobicContact CE-CB 4.46Å; M103-L159 HydrophobicContact CE-CD1 4.39Å; M103-L159 HydrophobicContact CE-CD2 3.99Å; M103-L159 HydrophobicContact SD-CB 3.83Å; M103-L159 HydrophobicContact SD-CD1 3.94Å; M103-L159 HydrophobicContact SD-CD2 4.35Å; M103-L159 HydrophobicContact SD-CG 4.25Å; M103-I165 HydrophobicContact CG-CD1 4.1Å; M103-I165 HydrophobicContact SD-CD1 3.36Å; M103-I165 WeakPolarHBondContact SD-CD1 3.49Å; M103-I165 HydrophobicContact SD-CG1 3.55Å; M103-I165 VanDerWaalsContact SD-CG1 3.55Å; M103-I165 HydrophobicContact SD-CG2 4.48Å; M103-L194 HydrophobicContact CE-CD1 4.42Å; M103-L194 HydrophobicContact SD-CD1 4.38Å |
| 104 | C | 92.1 | Very high | 93 | Very high | 31 Ų | 31 | 15.3 Ų | 15.3 | 21% | 0.209 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.1 | 175 | -173.4 | 0 | 0 | 0 | 0 | 113 | V54 I56 R108 I109 | V54-C104 HydrophobicContact CB-CB 4.12Å; V54-C104 HydrophobicContact CG1-CB 4.46Å; V54-C104 HydrophobicContact CG2-CB 4.27Å; I56-C104 VanDerWaalsContact CG1-SG 3.56Å; C104-R108 CarbonylContact C-O 3.59Å; C104-R108 VanDerWaalsContact CA-O 3.28Å; C104-R108 WeakPolarHBondContact CA-O 3.42Å; C104-R108 PolarHBondContact SG-O 2.92Å; C104-R108 VanDerWaalsContact SG-O 3.35Å; C104-I109 HydrophobicContact CB-CG1 4.25Å |
| 105 | D | 87.6 | Confident | 93 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 97.8 | 170.2 | 169.6 | 42 | 0 | 0 | 0 | 109.1 | M103 T107 R108 L159 R701 | M103-D105 HydrophobicContact CE-CB 3.92Å; D105-T107 VanDerWaalsContact C-N 3.3Å; D105-T107 PolarHBondContact O-N 2.55Å; D105-R108 PolarHBondContact N-O 3.3Å; D105-R108 PolarHBondContact O-N 2.71Å; D105-R108 IonicContact OD2-CZ 3.35Å; D105-R108 IonicContact OD2-NE 3.6Å; D105-R108 PolarHBondContact OD2-NE 3.38Å; D105-R108 IonicContact OD2-NH2 3.02Å; D105-R108 PolarHBondContact OD2-NH2 3.07Å; D105-L159 HydrophobicContact CB-CD2 3.97Å; D105-R701 IonicContact OD1-NH1 3.38Å; D105-R701 PolarHBondContact OD1-NH1 2.98Å |
| 106 | G | 86.3 | Confident | 93.1 | Very high | 48 Ų | 48 | 16.2 Ų | 16.2 | 50% | 0.495 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -74 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 107 | T | 88.5 | Confident | 93 | Very high | 32 Ų | 32 | 19.7 Ų | 19.7 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -2.6 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 114 | D105 Q129 A130 V707 | D105-T107 VanDerWaalsContact C-N 3.3Å; D105-T107 PolarHBondContact O-N 2.55Å; T107-Q129 PolarHBondContact O-OE1 3.38Å; T107-Q129 PolarHBondContact OG1-NE2 2.87Å; T107-Q129 PolarHBondContact OG1-OE1 3.12Å; T107-A130 WeakPolarHBondContact O-CB 3.23Å; T107-A130 PolarHBondContact O-N 3.18Å; T107-V707 HydrophobicContact CG2-CG2 4.12Å |
| 108 | R | 90.3 | Very high | 92.6 | Very high | 47 Ų | 47 | 26.6 Ų | 26.6 | 18% | 0.177 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.1 | 173 | -57.7 | -171.5 | -65.5 | 166 | -10 | 108.8 | C104 D105 E127 | C104-R108 CarbonylContact C-O 3.59Å; C104-R108 VanDerWaalsContact CA-O 3.28Å; C104-R108 WeakPolarHBondContact CA-O 3.42Å; C104-R108 PolarHBondContact SG-O 2.92Å; C104-R108 VanDerWaalsContact SG-O 3.35Å; D105-R108 PolarHBondContact N-O 3.3Å; D105-R108 PolarHBondContact O-N 2.71Å; D105-R108 IonicContact OD2-CZ 3.35Å; D105-R108 IonicContact OD2-NE 3.6Å; D105-R108 PolarHBondContact OD2-NE 3.38Å; D105-R108 IonicContact OD2-NH2 3.02Å; D105-R108 PolarHBondContact OD2-NH2 3.07Å; R108-E127 HydrophobicContact CB-CG 4.33Å; R108-E127 WeakPolarHBondContact CD-OE2 3.41Å; R108-E127 IonicContact NH1-OE2 3.16Å |
| 109 | I | 94 | Very high | 92 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.3 | 171.9 | -58.1 | 170.9 | 0 | 0 | 0 | 107 | V54 I56 I61 I102 M103 C104 E127 L128 A130 | V54-I109 HydrophobicContact CG2-CD1 3.77Å; V54-I109 HydrophobicContact CG2-CG1 3.99Å; V54-I109 HydrophobicContact CG2-CG2 3.96Å; I56-I109 HydrophobicContact CD1-CD1 3.96Å; I56-I109 HydrophobicContact CD1-CG1 4.1Å; I61-I109 HydrophobicContact CB-CD1 4.34Å; I61-I109 HydrophobicContact CD1-CD1 3.61Å; I61-I109 HydrophobicContact CG2-CD1 3.96Å; I102-I109 HydrophobicContact CD1-CG2 3.65Å; I102-I109 HydrophobicContact CG1-CG2 3.73Å; M103-I109 CarbonylContact O-C 3.53Å; M103-I109 WeakPolarHBondContact O-CA 3.43Å; C104-I109 HydrophobicContact CB-CG1 4.25Å; I109-E127 CarbonylContact O-C 3.52Å; I109-E127 WeakPolarHBondContact O-CA 3.4Å; I109-L128 HydrophobicContact CB-CB 4.25Å; I109-L128 HydrophobicContact CD1-CD2 4.17Å; I109-L128 PolarHBondContact N-O 3.44Å; I109-L128 PolarHBondContact O-N 3.13Å; I109-A130 HydrophobicContact CD1-CB 4.26Å |
| 110 | I | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132 | -177.7 | -59.6 | 173.5 | 0 | 0 | 0 | 108.6 | I102 M103 L125 Y126 E127 F157 I165 L194 | I102-I110 CarbonylContact C-O 3.51Å; I102-I110 VanDerWaalsContact CA-O 3.3Å; I102-I110 WeakPolarHBondContact CA-O 3.5Å; I102-I110 WeakPolarHBondContact CG1-O 3.34Å; M103-I110 HydrophobicContact CE-CB 4.33Å; M103-I110 HydrophobicContact CE-CD1 4.13Å; M103-I110 HydrophobicContact CE-CG1 4.3Å; M103-I110 HydrophobicContact CG-CB 4.22Å; M103-I110 PolarHBondContact N-O 2.9Å; M103-I110 PolarHBondContact O-N 2.83Å; M103-I110 HydrophobicContact SD-CB 4.36Å; M103-I110 HydrophobicContact SD-CD1 4.38Å; I110-L125 HydrophobicContact CG2-CD1 3.63Å; I110-L125 HydrophobicContact CG2-CG 4.27Å; I110-Y126 CarbonylContact C-O 3.6Å; I110-Y126 WeakPolarHBondContact CA-O 3.11Å; I110-E127 HydrophobicContact CG1-CB 4.48Å; I110-E127 HydrophobicContact CG1-CG 4.34Å; I110-F157 HydrophobicContact CB-CE1 4.34Å; I110-F157 HydrophobicContact CG2-CE1 3.93Å; I110-F157 HydrophobicContact CG2-CZ 3.87Å; I110-I165 HydrophobicContact CB-CD1 4.39Å; I110-I165 HydrophobicContact CD1-CD1 4.02Å; I110-I165 HydrophobicContact CG2-CD1 4.04Å; I110-L194 HydrophobicContact CD1-CD1 3.76Å; I110-L194 HydrophobicContact CD1-CD2 3.74Å; I110-L194 HydrophobicContact CD1-CG 4.42Å |
| 111 | L | 95.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.3 | -176 | 176.7 | 151.9 | 0 | 0 | 0 | 109.9 | F63 Y100 G101 L125 Y126 W135 | F63-L111 HydrophobicContact CD1-CD1 3.5Å; F63-L111 HydrophobicContact CE1-CD1 3.57Å; Y100-L111 HydrophobicContact CD2-CD1 3.7Å; Y100-L111 HydrophobicContact CD2-CG 3.67Å; Y100-L111 HydrophobicContact CE2-CD1 3.46Å; Y100-L111 VanDerWaalsContact CE2-CD1 3.46Å; Y100-L111 HydrophobicContact CE2-CG 3.92Å; G101-L111 CarbonylContact O-C 3.57Å; G101-L111 WeakPolarHBondContact O-CA 3.48Å; L111-L125 WeakPolarHBondContact O-CA 3.37Å; L111-Y126 HydrophobicContact CD2-CD2 4.06Å; L111-Y126 PolarHBondContact N-O 3.36Å; L111-Y126 PolarHBondContact O-N 2.89Å; L111-W135 HydrophobicContact CB-CH2 4.5Å; L111-W135 HydrophobicContact CB-CZ3 4.33Å; L111-W135 HydrophobicContact CD1-CH2 4.25Å |
| 112 | F | 97.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.2 | 179.6 | -176.5 | -112.2 | 0 | 0 | 0 | 113.3 | G101 N123 L125 P149 R152 H155 F157 V167 W203 | G101-F112 PolarHBondContact N-O 2.74Å; G101-F112 PolarHBondContact O-N 3.06Å; F112-N123 HydrophobicContact CE2-CB 4.3Å; F112-N123 WeakPolarHBondContact CE2-O 3.42Å; F112-N123 HydrophobicContact CZ-CB 4.15Å; F112-L125 HydrophobicContact CB-CD1 3.91Å; F112-L125 HydrophobicContact CD2-CB 4.19Å; F112-L125 HydrophobicContact CD2-CD1 3.86Å; F112-L125 HydrophobicContact CG-CD1 4.27Å; F112-P149 HydrophobicContact CE1-CB 4.37Å; F112-P149 HydrophobicContact CZ-CB 3.98Å; F112-P149 HydrophobicContact CZ-CG 4.18Å; F112-R152 HydrophobicContact CE1-CG 4.41Å; F112-H155 AromaticContact CD1-CE1 3.83Å; F112-H155 AromaticContact CD1-NE2 3.56Å; F112-H155 PolarHBondContact O-CE1 2.84Å; F112-H155 VanDerWaalsContact O-CE1 3.27Å; F112-H155 PolarHBondContact O-NE2 3.46Å; F112-F157 HydrophobicContact CB-CD2 3.75Å; F112-F157 HydrophobicContact CB-CE1 4.29Å; F112-F157 HydrophobicContact CB-CE2 3.29Å; F112-F157 HydrophobicContact CB-CG 4.45Å; F112-F157 HydrophobicContact CB-CZ 3.6Å; F112-F157 HydrophobicContact CD1-CD2 4.13Å; F112-F157 HydrophobicContact CD1-CE2 4.06Å; F112-F157 HydrophobicContact CG-CD2 4.26Å; F112-F157 AromaticContact CG-CE2 3.8Å; F112-F157 HydrophobicContact CG-CE2 3.8Å; F112-F157 HydrophobicContact CG-CZ 4.47Å; F112-V167 HydrophobicContact CD1-CG1 4.26Å; F112-V167 HydrophobicContact CE1-CG1 4.19Å; F112-W203 HydrophobicContact CD2-CH2 4.03Å; F112-W203 AromaticContact CD2-CZ2 3.89Å; F112-W203 HydrophobicContact CD2-CZ2 3.89Å; F112-W203 HydrophobicContact CE1-CH2 4.42Å; F112-W203 AromaticContact CE2-CH2 3.85Å; F112-W203 HydrophobicContact CE2-CH2 3.85Å; F112-W203 AromaticContact CE2-CZ2 3.44Å; F112-W203 HydrophobicContact CE2-CZ2 3.44Å; F112-W203 VanDerWaalsContact CE2-CZ2 3.44Å; F112-W203 HydrophobicContact CG-CH2 4.4Å; F112-W203 HydrophobicContact CZ-CH2 4.08Å; F112-W203 AromaticContact CZ-CZ2 3.93Å; F112-W203 HydrophobicContact CZ-CZ2 3.93Å |
| 113 | G | 96 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | -146.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y100 S122 H124 | Y100-G113 WeakPolarHBondContact CB-O 3.18Å; G113-S122 WeakPolarHBondContact CA-O 3.35Å; G113-H124 PolarHBondContact N-O 3.5Å; G113-H124 VanDerWaalsContact N-O 3.13Å |
| 114 | G | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.2 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A98 Y121 S122 R152 | A98-G114 WeakPolarHBondContact O-CA 3.1Å; G114-Y121 CarbonylContact O-C 3.59Å; G114-Y121 VanDerWaalsContact O-CA 3.28Å; G114-Y121 WeakPolarHBondContact O-CA 3.18Å; G114-S122 PolarHBondContact O-N 2.9Å; G114-R152 WeakPolarHBondContact CA-O 3.34Å; G114-R152 PolarHBondContact N-O 3.46Å |
| 115 | M | 92.8 | Very high | 91.8 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 26% | 0.261 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.4 | 173.3 | -170 | 175.6 | 80.2 | 0 | 0 | 110.2 | I70 C97 A98 E117 Y121 L153 | I70-M115 HydrophobicContact CD1-CE 3.96Å; I70-M115 WeakPolarHBondContact CD1-O 3.43Å; C97-M115 CarbonylContact C-O 3.48Å; C97-M115 WeakPolarHBondContact CA-O 3.48Å; A98-M115 PolarHBondContact N-O 2.94Å; A98-M115 PolarHBondContact O-N 2.84Å; M115-E117 WeakPolarHBondContact CG-O 3.25Å; M115-Y121 HydrophobicContact CB-CD1 4.19Å; M115-Y121 HydrophobicContact CG-CD1 4.03Å; M115-Y121 HydrophobicContact CG-CE1 4.19Å; M115-Y121 HydrophobicContact SD-CE1 4.48Å; M115-L153 HydrophobicContact CB-CD2 3.85Å; M115-L153 HydrophobicContact CG-CD2 4.39Å; M115-L153 HydrophobicContact SD-CD2 4.31Å |
| 116 | V | 92 | Very high | 92.1 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.17 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -102.7 | -33.2 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | P95 R120 | P95-V116 HydrophobicContact CB-CG1 4.14Å; P95-V116 HydrophobicContact CG-CG1 4.31Å; V116-R120 PolarHBondContact N-O 3.44Å |
| 117 | E | 87.1 | Confident | 92.5 | Very high | 84 Ų | 84 | 34 Ų | 34 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -150.8 | 173.3 | 169.5 | 56.9 | -169.6 | -152.1 | 0 | 0 | 107.6 | M115 G119 R120 | M115-E117 WeakPolarHBondContact CG-O 3.25Å; E117-G119 PolarHBondContact O-N 2.83Å; E117-R120 VanDerWaalsContact CD-NH2 3.27Å; E117-R120 HydrophobicContact CG-CB 3.55Å; E117-R120 HydrophobicContact CG-CG 4.49Å; E117-R120 PolarHBondContact O-N 2.89Å; E117-R120 IonicContact OE1-CZ 3.49Å; E117-R120 IonicContact OE1-NE 3.28Å; E117-R120 PolarHBondContact OE1-NE 3.42Å; E117-R120 IonicContact OE1-NH1 2.73Å; E117-R120 PolarHBondContact OE1-NH1 3Å; E117-R120 IonicContact OE1-NH2 2.8Å; E117-R120 IonicContact OE2-CZ 3.61Å; E117-R120 IonicContact OE2-NE 3.45Å; E117-R120 IonicContact OE2-NH1 3.58Å; E117-R120 PolarHBondContact OE2-NH1 2.82Å; E117-R120 IonicContact OE2-NH2 3.69Å; E117-R120 PolarHBondContact OE2-NH2 3.44Å |
| 118 | F | 83.6 | Confident | 92.8 | Very high | 151 Ų | 151 | 32.5 Ų | 32.5 | 66% | 0.662 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -56.2 | 130.3 | 179 | -176.8 | -92.1 | 0 | 0 | 0 | 110.8 | R120 N181 | F118-R120 PolarHBondContact O-N 2.85Å; F118-N181 HydrophobicContact CE1-CB 4.46Å; F118-N181 HydrophobicContact CZ-CB 4.45Å |
| 119 | G | 82.4 | Confident | 93 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 74.5 | -27.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E117 N173 P178 | E117-G119 PolarHBondContact O-N 2.83Å; G119-N173 PolarHBondContact O-ND2 2.93Å; G119-P178 CarbonylContact C-O 3.53Å; G119-P178 WeakPolarHBondContact CA-O 3.18Å |
| 120 | R | 89.6 | Confident | 92.8 | Very high | 107 Ų | 107 | 32.5 Ų | 32.5 | 40% | 0.404 | 15% | 0.153 | S | C | . | . | trans | -94.4 | 110.7 | -179.2 | -165.6 | -179.4 | 74.1 | -155.7 | -1.5 | 112.9 | V116 E117 F118 P178 | V116-R120 PolarHBondContact N-O 3.44Å; E117-R120 VanDerWaalsContact CD-NH2 3.27Å; E117-R120 HydrophobicContact CG-CB 3.55Å; E117-R120 HydrophobicContact CG-CG 4.49Å; E117-R120 PolarHBondContact O-N 2.89Å; E117-R120 IonicContact OE1-CZ 3.49Å; E117-R120 IonicContact OE1-NE 3.28Å; E117-R120 PolarHBondContact OE1-NE 3.42Å; E117-R120 IonicContact OE1-NH1 2.73Å; E117-R120 PolarHBondContact OE1-NH1 3Å; E117-R120 IonicContact OE1-NH2 2.8Å; E117-R120 IonicContact OE2-CZ 3.61Å; E117-R120 IonicContact OE2-NE 3.45Å; E117-R120 IonicContact OE2-NH1 3.58Å; E117-R120 PolarHBondContact OE2-NH1 2.82Å; E117-R120 IonicContact OE2-NH2 3.69Å; E117-R120 PolarHBondContact OE2-NH2 3.44Å; F118-R120 PolarHBondContact O-N 2.85Å; R120-P178 HydrophobicContact CB-CB 4.39Å | ||
| 121 | Y | 93.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 36 Ų | 36 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 168.8 | 177 | -49.6 | -13 | 0 | 0 | 0 | 111.1 | G114 M115 L153 L171 N173 N181 | G114-Y121 CarbonylContact O-C 3.59Å; G114-Y121 VanDerWaalsContact O-CA 3.28Å; G114-Y121 WeakPolarHBondContact O-CA 3.18Å; M115-Y121 HydrophobicContact CB-CD1 4.19Å; M115-Y121 HydrophobicContact CG-CD1 4.03Å; M115-Y121 HydrophobicContact CG-CE1 4.19Å; M115-Y121 HydrophobicContact SD-CE1 4.48Å; Y121-L153 HydrophobicContact CD1-CD2 3.88Å; Y121-L153 HydrophobicContact CD2-CD2 4.35Å; Y121-L153 HydrophobicContact CD2-CG 4.3Å; Y121-L153 HydrophobicContact CE1-CD2 3.51Å; Y121-L153 HydrophobicContact CE1-CG 4.44Å; Y121-L153 HydrophobicContact CE2-CD2 3.94Å; Y121-L153 HydrophobicContact CE2-CG 4.04Å; Y121-L153 HydrophobicContact CG-CD2 4.34Å; Y121-L171 WeakPolarHBondContact CD2-O 3.44Å; Y121-L171 WeakPolarHBondContact CE2-O 3.48Å; Y121-N173 HydrophobicContact CD2-CB 4.26Å; Y121-N173 HydrophobicContact CE2-CB 3.89Å; Y121-N181 PolarHBondContact OH-OD1 3.02Å |
| 122 | S | 94.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.7 | 178.4 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | G113 G114 H124 P151 R152 | G113-S122 WeakPolarHBondContact CA-O 3.35Å; G114-S122 PolarHBondContact O-N 2.9Å; S122-H124 PolarHBondContact OG-N 2.91Å; S122-H124 PolarHBondContact OG-ND1 3.24Å; S122-P151 WeakPolarHBondContact O-CA 3.37Å; S122-R152 PolarHBondContact O-N 2.88Å |
| 123 | N | 95.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 19.9 | 163.5 | 62.7 | -16.8 | 0 | 0 | 0 | 111.9 | F112 P149 P151 | F112-N123 HydrophobicContact CE2-CB 4.3Å; F112-N123 WeakPolarHBondContact CE2-O 3.42Å; F112-N123 HydrophobicContact CZ-CB 4.15Å; N123-P149 WeakPolarHBondContact CB-O 3.29Å; N123-P149 PolarHBondContact ND2-O 2.89Å; N123-P151 HydrophobicContact CB-CG 4.26Å |
| 124 | H | 95.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 144.5 | 174.9 | -61.1 | 149.6 | 0 | 0 | 0 | 111 | G113 S122 Y126 R137 | G113-H124 PolarHBondContact N-O 3.5Å; G113-H124 VanDerWaalsContact N-O 3.13Å; S122-H124 PolarHBondContact OG-N 2.91Å; S122-H124 PolarHBondContact OG-ND1 3.24Å; H124-Y126 HydrophobicContact CB-CD2 4.18Å; H124-Y126 HydrophobicContact CB-CE2 3.57Å; H124-R137 VanDerWaalsContact CD2-CZ 3.47Å; H124-R137 PolarHBondContact CD2-NH1 3.17Å; H124-R137 PolarHBondContact CD2-NH2 3.13Å; H124-R137 PolarHBondContact CE1-NH1 3.48Å; H124-R137 PolarHBondContact ND1-NH1 2.87Å; H124-R137 PolarHBondContact NE2-NH1 2.86Å; H124-R137 PolarHBondContact NE2-NH2 3.44Å |
| 125 | L | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.1 | 174.5 | -171.9 | 74.1 | 0 | 0 | 0 | 109.6 | I110 L111 F112 L138 P140 F157 L192 L201 | I110-L125 HydrophobicContact CG2-CD1 3.63Å; I110-L125 HydrophobicContact CG2-CG 4.27Å; L111-L125 WeakPolarHBondContact O-CA 3.37Å; F112-L125 HydrophobicContact CB-CD1 3.91Å; F112-L125 HydrophobicContact CD2-CB 4.19Å; F112-L125 HydrophobicContact CD2-CD1 3.86Å; F112-L125 HydrophobicContact CG-CD1 4.27Å; L125-L138 HydrophobicContact CB-CB 4.15Å; L125-L138 HydrophobicContact CD2-CB 3.75Å; L125-L138 HydrophobicContact CD2-CD1 3.86Å; L125-L138 HydrophobicContact CD2-CG 4.48Å; L125-L138 HydrophobicContact CG-CB 3.98Å; L125-L138 HydrophobicContact CG-CD1 4.15Å; L125-L138 PolarHBondContact O-N 3.39Å; L125-P140 HydrophobicContact CD2-CG 3.48Å; L125-P140 VanDerWaalsContact CD2-CG 3.48Å; L125-F157 HydrophobicContact CD1-CE2 4.45Å; L125-F157 HydrophobicContact CD1-CZ 3.93Å; L125-L192 HydrophobicContact CD1-CD2 4.44Å; L125-L192 HydrophobicContact CD2-CD2 3.56Å; L125-L201 HydrophobicContact CD2-CD1 4.48Å |
| 126 | Y | 95.5 | Very high | 92.1 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.2 | 179.1 | -69.7 | -94.9 | 0 | 0 | 0 | 111.3 | D92 P94 I110 L111 H124 R136 R137 | D92-Y126 HydrophobicContact CB-CE1 4.49Å; D92-Y126 VanDerWaalsContact O-CD1 3.27Å; D92-Y126 WeakPolarHBondContact O-CD1 3.28Å; D92-Y126 VanDerWaalsContact O-CE1 3.25Å; D92-Y126 WeakPolarHBondContact O-CE1 3.36Å; P94-Y126 HydrophobicContact CB-CD1 4.15Å; P94-Y126 HydrophobicContact CB-CD2 3.93Å; P94-Y126 HydrophobicContact CB-CE1 4.15Å; P94-Y126 HydrophobicContact CB-CE2 3.93Å; P94-Y126 HydrophobicContact CB-CG 4.03Å; P94-Y126 HydrophobicContact CG-CD1 3.78Å; P94-Y126 HydrophobicContact CG-CD2 4.11Å; P94-Y126 HydrophobicContact CG-CE1 4.21Å; P94-Y126 HydrophobicContact CG-CG 3.72Å; I110-Y126 CarbonylContact C-O 3.6Å; I110-Y126 WeakPolarHBondContact CA-O 3.11Å; L111-Y126 HydrophobicContact CD2-CD2 4.06Å; L111-Y126 PolarHBondContact N-O 3.36Å; L111-Y126 PolarHBondContact O-N 2.89Å; H124-Y126 HydrophobicContact CB-CD2 4.18Å; H124-Y126 HydrophobicContact CB-CE2 3.57Å; Y126-R136 CarbonylContact C-O 3.49Å; Y126-R136 WeakPolarHBondContact CA-O 3.36Å; Y126-R137 HydrophobicContact CD1-CB 4.06Å; Y126-R137 HydrophobicContact CD1-CG 4.48Å; Y126-R137 HydrophobicContact CE1-CB 3.9Å; Y126-R137 HydrophobicContact CE1-CG 4.16Å |
| 127 | E | 94.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131 | 170.2 | -178.1 | -178.1 | 103 | 0 | 0 | 110.4 | R108 I109 I110 W135 R136 L138 T198 | R108-E127 HydrophobicContact CB-CG 4.33Å; R108-E127 WeakPolarHBondContact CD-OE2 3.41Å; R108-E127 IonicContact NH1-OE2 3.16Å; I109-E127 CarbonylContact O-C 3.52Å; I109-E127 WeakPolarHBondContact O-CA 3.4Å; I110-E127 HydrophobicContact CG1-CB 4.48Å; I110-E127 HydrophobicContact CG1-CG 4.34Å; E127-W135 CarbonylContact O-C 3.5Å; E127-W135 VanDerWaalsContact O-CA 3.32Å; E127-W135 WeakPolarHBondContact O-CA 3.48Å; E127-R136 PolarHBondContact N-O 3.14Å; E127-R136 PolarHBondContact O-N 3.44Å; E127-L138 HydrophobicContact CB-CD1 3.76Å; E127-L138 HydrophobicContact CB-CG 4.16Å; E127-T198 WeakPolarHBondContact OE2-CG2 3.22Å |
| 128 | L | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.4 | 166.3 | 170.7 | 61.7 | 0 | 0 | 0 | 109.4 | L74 I109 A130 W133 E134 W135 | L74-L128 HydrophobicContact CD1-CD2 4.33Å; L74-L128 HydrophobicContact CD2-CD2 3.49Å; L74-L128 VanDerWaalsContact CD2-CD2 3.49Å; I109-L128 HydrophobicContact CB-CB 4.25Å; I109-L128 HydrophobicContact CD1-CD2 4.17Å; I109-L128 PolarHBondContact N-O 3.44Å; I109-L128 PolarHBondContact O-N 3.13Å; L128-A130 PolarHBondContact O-N 3.19Å; L128-W133 HydrophobicContact CD1-CE3 4.42Å; L128-W133 HydrophobicContact CD2-CE3 4.22Å; L128-W133 HydrophobicContact CD2-CZ3 4.27Å; L128-E134 WeakPolarHBondContact CA-O 3.43Å; L128-W135 HydrophobicContact CB-CD2 3.7Å; L128-W135 HydrophobicContact CB-CE3 3.55Å; L128-W135 HydrophobicContact CB-CG 4.44Å; L128-W135 HydrophobicContact CB-CH2 3.88Å; L128-W135 HydrophobicContact CB-CZ2 4.03Å; L128-W135 HydrophobicContact CB-CZ3 3.64Å; L128-W135 HydrophobicContact CD1-CD2 4.14Å; L128-W135 HydrophobicContact CD1-CG 4.12Å; L128-W135 HydrophobicContact CD2-CH2 4.31Å; L128-W135 HydrophobicContact CD2-CZ2 3.84Å; L128-W135 HydrophobicContact CG-CD2 4.34Å; L128-W135 HydrophobicContact CG-CZ2 4.45Å |
| 129 | Q | 93.3 | Very high | 92.9 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 94.6 | 170.4 | 178.7 | 56.2 | -9.6 | 0 | 0 | 109.8 | T107 S131 K132 W133 E134 | T107-Q129 PolarHBondContact O-OE1 3.38Å; T107-Q129 PolarHBondContact OG1-NE2 2.87Å; T107-Q129 PolarHBondContact OG1-OE1 3.12Å; Q129-S131 PolarHBondContact NE2-OG 3.26Å; Q129-S131 PolarHBondContact O-N 2.56Å; Q129-S131 VanDerWaalsContact O-N 3.13Å; Q129-K132 HydrophobicContact CG-CB 4.44Å; Q129-K132 CarbonylContact O-C 3.55Å; Q129-K132 PolarHBondContact O-N 2.89Å; Q129-W133 PolarHBondContact O-N 3.39Å; Q129-E134 PolarHBondContact N-O 2.86Å |
| 130 | A | 90.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I56 T107 I109 L128 K132 W133 | I56-A130 HydrophobicContact CD1-CB 3.51Å; T107-A130 WeakPolarHBondContact O-CB 3.23Å; T107-A130 PolarHBondContact O-N 3.18Å; I109-A130 HydrophobicContact CD1-CB 4.26Å; L128-A130 PolarHBondContact O-N 3.19Å; A130-K132 PolarHBondContact O-N 3.46Å; A130-W133 HydrophobicContact CB-CE3 4.45Å; A130-W133 HydrophobicContact CB-CH2 4.25Å; A130-W133 HydrophobicContact CB-CZ3 4.05Å |
| 131 | S | 89.5 | Confident | 93.5 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.3 | 170.4 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | Q129 | Q129-S131 PolarHBondContact NE2-OG 3.26Å; Q129-S131 PolarHBondContact O-N 2.56Å; Q129-S131 VanDerWaalsContact O-N 3.13Å |
| 132 | K | 91.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -10.9 | -178.9 | -76.4 | -169.7 | 175.1 | -172.3 | 0 | 114 | R90 Q129 A130 E134 | R90-K132 PolarHBondContact NH1-O 3.17Å; R90-K132 PolarHBondContact NH2-O 2.82Å; R90-K132 VanDerWaalsContact NH2-O 3.13Å; Q129-K132 HydrophobicContact CG-CB 4.44Å; Q129-K132 CarbonylContact O-C 3.55Å; Q129-K132 PolarHBondContact O-N 2.89Å; A130-K132 PolarHBondContact O-N 3.46Å; K132-E134 VanDerWaalsContact C-N 3.3Å; K132-E134 HydrophobicContact CB-CB 4.14Å; K132-E134 PolarHBondContact O-N 3.47Å |
| 133 | W | 93.6 | Very high | 93.2 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.3 | -168.8 | -56.6 | 112.3 | 0 | 0 | 0 | 112.6 | I61 L74 V76 F85 P87 V89 R90 L128 Q129 A130 | I61-W133 HydrophobicContact CD1-CH2 4.01Å; I61-W133 HydrophobicContact CD1-CZ3 4.33Å; L74-W133 HydrophobicContact CD2-CE3 3.9Å; L74-W133 HydrophobicContact CD2-CZ3 3.9Å; V76-W133 HydrophobicContact CG2-CH2 3.72Å; V76-W133 HydrophobicContact CG2-CZ2 4.43Å; V76-W133 HydrophobicContact CG2-CZ3 4.15Å; F85-W133 HydrophobicContact CE2-CZ2 4.23Å; P87-W133 HydrophobicContact CB-CB 4.47Å; P87-W133 HydrophobicContact CB-CD2 3.46Å; P87-W133 VanDerWaalsContact CB-CD2 3.46Å; P87-W133 HydrophobicContact CB-CE3 3.9Å; P87-W133 HydrophobicContact CB-CG 3.7Å; P87-W133 HydrophobicContact CB-CZ2 4.12Å; P87-W133 HydrophobicContact CB-CZ3 4.42Å; P87-W133 HydrophobicContact CG-CD2 3.8Å; P87-W133 HydrophobicContact CG-CE3 3.67Å; P87-W133 HydrophobicContact CG-CG 4.44Å; P87-W133 HydrophobicContact CG-CH2 4.2Å; P87-W133 HydrophobicContact CG-CZ2 4.29Å; P87-W133 HydrophobicContact CG-CZ3 3.89Å; V89-W133 WeakPolarHBondContact CA-O 3.4Å; V89-W133 HydrophobicContact CG1-CB 4.38Å; R90-W133 PolarHBondContact N-O 3.17Å; R90-W133 VanDerWaalsContact N-O 3.12Å; L128-W133 HydrophobicContact CD1-CE3 4.42Å; L128-W133 HydrophobicContact CD2-CE3 4.22Å; L128-W133 HydrophobicContact CD2-CZ3 4.27Å; Q129-W133 PolarHBondContact O-N 3.39Å; A130-W133 HydrophobicContact CB-CE3 4.45Å; A130-W133 HydrophobicContact CB-CH2 4.25Å; A130-W133 HydrophobicContact CB-CZ3 4.05Å |
| 134 | E | 94.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.7 | -177.2 | -169.7 | 175.1 | 121.9 | 0 | 0 | 109.6 | R90 L128 Q129 K132 R136 | R90-E134 HydrophobicContact CG-CB 4.5Å; R90-E134 HydrophobicContact CG-CG 4.34Å; R90-E134 IonicContact CZ-OE2 2.67Å; R90-E134 IonicContact NE-OE2 2.71Å; R90-E134 PolarHBondContact NE-OE2 2.78Å; R90-E134 IonicContact NH2-OE2 3.11Å; R90-E134 PolarHBondContact NH2-OE2 3.18Å; R90-E134 CarbonylContact O-C 3.57Å; R90-E134 WeakPolarHBondContact O-CA 3.4Å; L128-E134 WeakPolarHBondContact CA-O 3.43Å; Q129-E134 PolarHBondContact N-O 2.86Å; K132-E134 VanDerWaalsContact C-N 3.3Å; K132-E134 HydrophobicContact CB-CB 4.14Å; K132-E134 PolarHBondContact O-N 3.47Å; E134-R136 IonicContact OE1-CZ 3.01Å; E134-R136 IonicContact OE1-NE 2.73Å; E134-R136 PolarHBondContact OE1-NE 2.98Å; E134-R136 VanDerWaalsContact OE1-NE 3.15Å; E134-R136 IonicContact OE1-NH2 3.52Å; E134-R136 PolarHBondContact OE1-NH2 3.38Å |
| 135 | W | 94.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 146.6 | 171.4 | -75.9 | 108 | 0 | 0 | 0 | 111 | F63 R90 G91 D92 P94 L111 E127 L128 | F63-W135 HydrophobicContact CD2-CZ2 4.06Å; F63-W135 AromaticContact CE2-CZ2 3.9Å; F63-W135 HydrophobicContact CE2-CZ2 3.9Å; F63-W135 HydrophobicContact CZ-CZ2 4.29Å; R90-W135 PolarHBondContact O-N 3.32Å; G91-W135 WeakPolarHBondContact CA-O 3.48Å; D92-W135 PolarHBondContact N-O 2.88Å; D92-W135 WeakPolarHBondContact O-CB 3.47Å; P94-W135 HydrophobicContact CG-CD2 3.81Å; P94-W135 HydrophobicContact CG-CE3 3.58Å; P94-W135 HydrophobicContact CG-CH2 3.8Å; P94-W135 HydrophobicContact CG-CZ2 3.99Å; P94-W135 HydrophobicContact CG-CZ3 3.59Å; L111-W135 HydrophobicContact CB-CH2 4.5Å; L111-W135 HydrophobicContact CB-CZ3 4.33Å; L111-W135 HydrophobicContact CD1-CH2 4.25Å; E127-W135 CarbonylContact O-C 3.5Å; E127-W135 VanDerWaalsContact O-CA 3.32Å; E127-W135 WeakPolarHBondContact O-CA 3.48Å; L128-W135 HydrophobicContact CB-CD2 3.7Å; L128-W135 HydrophobicContact CB-CE3 3.55Å; L128-W135 HydrophobicContact CB-CG 4.44Å; L128-W135 HydrophobicContact CB-CH2 3.88Å; L128-W135 HydrophobicContact CB-CZ2 4.03Å; L128-W135 HydrophobicContact CB-CZ3 3.64Å; L128-W135 HydrophobicContact CD1-CD2 4.14Å; L128-W135 HydrophobicContact CD1-CG 4.12Å; L128-W135 HydrophobicContact CD2-CH2 4.31Å; L128-W135 HydrophobicContact CD2-CZ2 3.84Å; L128-W135 HydrophobicContact CG-CD2 4.34Å; L128-W135 HydrophobicContact CG-CZ2 4.45Å |
| 136 | R | 93.9 | Very high | 91.6 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.3 | 173.1 | -63.4 | -178.4 | 178.2 | -163.8 | -4.1 | 109.4 | D92 Y126 E127 E134 | D92-R136 WeakPolarHBondContact OD2-CA 3.33Å; Y126-R136 CarbonylContact C-O 3.49Å; Y126-R136 WeakPolarHBondContact CA-O 3.36Å; E127-R136 PolarHBondContact N-O 3.14Å; E127-R136 PolarHBondContact O-N 3.44Å; E134-R136 IonicContact OE1-CZ 3.01Å; E134-R136 IonicContact OE1-NE 2.73Å; E134-R136 PolarHBondContact OE1-NE 2.98Å; E134-R136 VanDerWaalsContact OE1-NE 3.15Å; E134-R136 IonicContact OE1-NH2 3.52Å; E134-R136 PolarHBondContact OE1-NH2 3.38Å |
| 137 | R | 94.7 | Very high | 91.5 | Very high | 97 Ų | 97 | 66.2 Ų | 66.2 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.3 | 168.6 | -176.3 | 170.2 | 159.6 | 138.9 | 5.1 | 108.4 | D92 H124 Y126 E139 | D92-R137 HydrophobicContact CB-CB 3.96Å; D92-R137 PolarHBondContact OD2-N 2.85Å; H124-R137 VanDerWaalsContact CD2-CZ 3.47Å; H124-R137 PolarHBondContact CD2-NH1 3.17Å; H124-R137 PolarHBondContact CD2-NH2 3.13Å; H124-R137 PolarHBondContact CE1-NH1 3.48Å; H124-R137 PolarHBondContact ND1-NH1 2.87Å; H124-R137 PolarHBondContact NE2-NH1 2.86Å; H124-R137 PolarHBondContact NE2-NH2 3.44Å; Y126-R137 HydrophobicContact CD1-CB 4.06Å; Y126-R137 HydrophobicContact CD1-CG 4.48Å; Y126-R137 HydrophobicContact CE1-CB 3.9Å; Y126-R137 HydrophobicContact CE1-CG 4.16Å; R137-E139 IonicContact CZ-OE1 2.9Å; R137-E139 IonicContact NE-OE1 3.14Å; R137-E139 PolarHBondContact NE-OE1 3.22Å; R137-E139 IonicContact NH2-OE1 2.8Å; R137-E139 PolarHBondContact NH2-OE1 2.68Å |
| 138 | L | 93.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.3 | 179.6 | -66.1 | 179.2 | 0 | 0 | 0 | 109.3 | L125 E127 T198 L201 | L125-L138 HydrophobicContact CB-CB 4.15Å; L125-L138 HydrophobicContact CD2-CB 3.75Å; L125-L138 HydrophobicContact CD2-CD1 3.86Å; L125-L138 HydrophobicContact CD2-CG 4.48Å; L125-L138 HydrophobicContact CG-CB 3.98Å; L125-L138 HydrophobicContact CG-CD1 4.15Å; L125-L138 PolarHBondContact O-N 3.39Å; E127-L138 HydrophobicContact CB-CD1 3.76Å; E127-L138 HydrophobicContact CB-CG 4.16Å; L138-T198 HydrophobicContact CD2-CG2 4.02Å; L138-L201 HydrophobicContact CB-CD1 4.42Å; L138-L201 HydrophobicContact CD1-CD1 3.74Å; L138-L201 HydrophobicContact CD2-CD1 4.29Å; L138-L201 HydrophobicContact CG-CD1 4.39Å |
| 139 | E | 91.2 | Very high | 91.6 | Very high | 129 Ų | 129 | 67.6 Ų | 67.6 | 60% | 0.603 | 35% | 0.347 | S | S | * | . | trans | -121.6 | 86 | 177.2 | -63.5 | -63.2 | 168.8 | 0 | 0 | 109.3 | R137 | R137-E139 IonicContact CZ-OE1 2.9Å; R137-E139 IonicContact NE-OE1 3.14Å; R137-E139 PolarHBondContact NE-OE1 3.22Å; R137-E139 IonicContact NH2-OE1 2.8Å; R137-E139 PolarHBondContact NH2-OE1 2.68Å | ||
| 140 | P | 92.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 144.5 | 175.4 | -18.4 | 31.9 | 0 | 0 | 0 | 111.4 | L125 L192 L201 W203 | L125-P140 HydrophobicContact CD2-CG 3.48Å; L125-P140 VanDerWaalsContact CD2-CG 3.48Å; P140-L192 HydrophobicContact CB-CD1 3.89Å; P140-L192 HydrophobicContact CG-CD1 4.02Å; P140-L201 CarbonylContact C-O 3.43Å; P140-L201 WeakPolarHBondContact CA-O 3.35Å; P140-L201 HydrophobicContact CB-CB 3.97Å; P140-L201 HydrophobicContact CG-CB 4.24Å; P140-W203 HydrophobicContact CB-CG 4.34Å; P140-W203 HydrophobicContact CG-CZ2 4.44Å |
| 141 | H | 91.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -60.1 | 147.4 | 169.5 | -63.5 | -67.5 | 0 | 0 | 0 | 111.4 | L201 R202 W203 | H141-L201 PolarHBondContact CD2-O 2.56Å; H141-L201 PolarHBondContact N-O 2.91Å; H141-R202 HydrophobicContact CB-CB 4.27Å; H141-R202 HydrophobicContact CB-CG 4.41Å; H141-R202 WeakPolarHBondContact O-CA 3.29Å; H141-W203 PolarHBondContact O-N 3.05Å |
| 142 | N | 92.2 | Very high | 92.3 | Very high | 98 Ų | 98 | 66 Ų | 66 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 155.4 | 171.4 | -72.5 | -7.3 | 0 | 0 | 0 | 112 | P148 R202 | N142-P148 WeakPolarHBondContact OD1-CG 3.02Å; N142-R202 PolarHBondContact O-NH1 2.95Å |
| 143 | P | 90.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 8% | 0.078 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 160.5 | 169.5 | 31.1 | -36.5 | 0 | 0 | 0 | 111.6 | E145 W203 I205 | P143-E145 VanDerWaalsContact CB-O 3.31Å; P143-E145 WeakPolarHBondContact CB-O 3.21Å; P143-E145 WeakPolarHBondContact CG-O 3.35Å; P143-E145 PolarHBondContact O-N 3.15Å; P143-W203 WeakPolarHBondContact CA-O 3.34Å; P143-W203 VanDerWaalsContact CB-O 3.3Å; P143-W203 WeakPolarHBondContact CB-O 3.42Å; P143-I205 HydrophobicContact CB-CG1 4.29Å; P143-I205 HydrophobicContact CG-CD1 4.44Å; P143-I205 HydrophobicContact CG-CG1 4.49Å |
| 144 | K | 84.9 | Confident | 92.6 | Very high | 160 Ų | 160 | 58.9 Ų | 58.9 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -66.3 | -30.8 | 176.6 | -65 | 172.2 | -177.4 | 161.5 | 0 | 111.5 | E204 | K144-E204 IonicContact NZ-OE1 2.99Š|
| 145 | E | 81.5 | Confident | 92.8 | Very high | 163 Ų | 163 | 57.9 Ų | 57.9 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -137 | 144.9 | -178.2 | -68.5 | 166.2 | -144.3 | 0 | 0 | 108.4 | P143 I205 | P143-E145 VanDerWaalsContact CB-O 3.31Å; P143-E145 WeakPolarHBondContact CB-O 3.21Å; P143-E145 WeakPolarHBondContact CG-O 3.35Å; P143-E145 PolarHBondContact O-N 3.15Å; E145-I205 WeakPolarHBondContact O-CD1 3.46Å |
| 146 | G | 86.5 | Confident | 92.9 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 75.4 | -172.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 147 | S | 92.7 | Very high | 93 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 156.4 | 178.3 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | Y190 | S147-Y190 WeakPolarHBondContact O-CE1 3.26Å; S147-Y190 PolarHBondContact O-OH 2.97Å |
| 148 | P | 94.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -66 | 161.4 | 168.5 | 31.4 | -37.7 | 0 | 0 | 0 | 111.1 | N142 C150 | N142-P148 WeakPolarHBondContact OD1-CG 3.02Å; P148-C150 PolarHBondContact O-N 3.12Å |
| 149 | P | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 125.5 | -175.3 | -7.8 | 14.6 | 0 | 0 | 0 | 112.2 | F112 N123 Y190 W203 | F112-P149 HydrophobicContact CE1-CB 4.37Å; F112-P149 HydrophobicContact CZ-CB 3.98Å; F112-P149 HydrophobicContact CZ-CG 4.18Å; N123-P149 WeakPolarHBondContact CB-O 3.29Å; N123-P149 PolarHBondContact ND2-O 2.89Å; P149-Y190 HydrophobicContact CB-CD2 3.89Å; P149-Y190 HydrophobicContact CB-CE1 4.44Å; P149-Y190 HydrophobicContact CB-CE2 3.74Å; P149-Y190 HydrophobicContact CB-CG 4.32Å; P149-Y190 HydrophobicContact CG-CD1 3.82Å; P149-Y190 HydrophobicContact CG-CD2 3.8Å; P149-Y190 HydrophobicContact CG-CE1 4.02Å; P149-Y190 HydrophobicContact CG-CE2 4.01Å; P149-Y190 HydrophobicContact CG-CG 3.71Å; P149-W203 HydrophobicContact CG-CD2 3.77Å; P149-W203 HydrophobicContact CG-CE3 3.87Å; P149-W203 HydrophobicContact CG-CG 4.31Å; P149-W203 HydrophobicContact CG-CH2 4.26Å; P149-W203 HydrophobicContact CG-CZ2 4.17Å; P149-W203 HydrophobicContact CG-CZ3 4.12Å |
| 150 | C | 95.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 44 Ų | 44 | 25% | 0.25 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 158 | 178.1 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | P148 R152 | P148-C150 PolarHBondContact O-N 3.12Å; C150-R152 WeakPolarHBondContact O-CG 3.2Å; C150-R152 PolarHBondContact O-N 2.96Å; C150-R152 PolarHBondContact O-NE 2.83Å; C150-R152 PolarHBondContact SG-NH2 3.23Å |
| 151 | P | 95.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -51.6 | 128.4 | 172.6 | -27.3 | 35.8 | 0 | 0 | 0 | 112.3 | S122 N123 | S122-P151 WeakPolarHBondContact O-CA 3.37Å; N123-P151 HydrophobicContact CB-CG 4.26Å |
| 152 | R | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -157.8 | 151.2 | -168.4 | 62.6 | -179.1 | 68.5 | -156.3 | -1 | 114.8 | F112 G114 S122 C150 G169 L171 L186 D188 | F112-R152 HydrophobicContact CE1-CG 4.41Å; G114-R152 WeakPolarHBondContact CA-O 3.34Å; G114-R152 PolarHBondContact N-O 3.46Å; S122-R152 PolarHBondContact O-N 2.88Å; C150-R152 WeakPolarHBondContact O-CG 3.2Å; C150-R152 PolarHBondContact O-N 2.96Å; C150-R152 PolarHBondContact O-NE 2.83Å; C150-R152 PolarHBondContact SG-NH2 3.23Å; R152-G169 PolarHBondContact NH1-O 2.59Å; R152-L171 CarbonylContact C-O 3.57Å; R152-L171 WeakPolarHBondContact CA-O 3.32Å; R152-L186 HydrophobicContact CB-CD1 4.26Å; R152-L186 VanDerWaalsContact CZ-CD1 3.49Å; R152-D188 IonicContact CZ-OD1 3.79Å; R152-D188 IonicContact CZ-OD2 3.82Å; R152-D188 VanDerWaalsContact NH1-CG 3.33Å; R152-D188 IonicContact NH1-OD1 2.94Å; R152-D188 PolarHBondContact NH1-OD1 3.12Å; R152-D188 IonicContact NH1-OD2 3.77Å; R152-D188 PolarHBondContact NH1-OD2 3.49Å; R152-D188 IonicContact NH2-OD1 3.47Å; R152-D188 IonicContact NH2-OD2 2.73Å; R152-D188 PolarHBondContact NH2-OD2 3.28Å | ||
| 153 | L | 95.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -117.7 | 174.3 | 166.6 | 67.1 | 77.9 | 0 | 0 | 0 | 111.2 | A99 M115 Y121 H155 G170 L171 | A99-L153 HydrophobicContact CB-CB 4.23Å; M115-L153 HydrophobicContact CB-CD2 3.85Å; M115-L153 HydrophobicContact CG-CD2 4.39Å; M115-L153 HydrophobicContact SD-CD2 4.31Å; Y121-L153 HydrophobicContact CD1-CD2 3.88Å; Y121-L153 HydrophobicContact CD2-CD2 4.35Å; Y121-L153 HydrophobicContact CD2-CG 4.3Å; Y121-L153 HydrophobicContact CE1-CD2 3.51Å; Y121-L153 HydrophobicContact CE1-CG 4.44Å; Y121-L153 HydrophobicContact CE2-CD2 3.94Å; Y121-L153 HydrophobicContact CE2-CG 4.04Å; Y121-L153 HydrophobicContact CG-CD2 4.34Å; L153-H155 PolarHBondContact O-N 3.37Å; L153-G170 CarbonylContact O-C 3.45Å; L153-G170 WeakPolarHBondContact O-CA 3.38Å; L153-L171 HydrophobicContact CD1-CB 3.78Å; L153-L171 HydrophobicContact CD1-CD2 4.12Å; L153-L171 HydrophobicContact CG-CB 4.15Å; L153-L171 PolarHBondContact N-O 3.39Å; L153-L171 PolarHBondContact O-N 3.12Å |
| 154 | G | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 69.3 | 4.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A99 S218 | A99-G154 PolarHBondContact O-N 3.43Å; G154-S218 PolarHBondContact O-N 2.85Å |
| 155 | H | 97.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -78.3 | 163.2 | -180 | 64.5 | -92.8 | 0 | 0 | 0 | 112.2 | G101 F112 L153 G169 | G101-H155 WeakPolarHBondContact CA-NE2 3.2Å; G101-H155 PolarHBondContact N-CE1 2.91Å; G101-H155 PolarHBondContact N-NE2 3.31Å; F112-H155 AromaticContact CD1-CE1 3.83Å; F112-H155 AromaticContact CD1-NE2 3.56Å; F112-H155 PolarHBondContact O-CE1 2.84Å; F112-H155 VanDerWaalsContact O-CE1 3.27Å; F112-H155 PolarHBondContact O-NE2 3.46Å; L153-H155 PolarHBondContact O-N 3.37Å; H155-G169 WeakPolarHBondContact CB-O 3.38Å | ||
| 156 | S | 97.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 144 | 166.6 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | V167 F168 H219 A221 | S156-V167 WeakPolarHBondContact O-CA 3.31Å; S156-F168 PolarHBondContact N-O 2.91Å; S156-F168 VanDerWaalsContact N-O 3.15Å; S156-F168 PolarHBondContact O-N 3Å; S156-F168 VanDerWaalsContact O-N 3.12Å; S156-F168 PolarHBondContact OG-O 3.44Å; S156-H219 VanDerWaalsContact CB-NE2 3.28Å; S156-H219 WeakPolarHBondContact CB-NE2 3.37Å; S156-H219 PolarHBondContact N-NE2 2.89Å; S156-H219 PolarHBondContact OG-NE2 2.78Å; S156-A221 VanDerWaalsContact CB-CB 3.46Å |
| 157 | F | 97.1 | Very high | 93 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 94.2 | -175.9 | -167.6 | -103.7 | 0 | 0 | 0 | 108.6 | G101 M103 I110 F112 L125 I165 Y166 V167 | G101-F157 VanDerWaalsContact CA-CB 3.49Å; M103-F157 HydrophobicContact CB-CD1 4.25Å; M103-F157 HydrophobicContact CG-CD1 3.68Å; M103-F157 HydrophobicContact CG-CE1 3.49Å; M103-F157 VanDerWaalsContact CG-CE1 3.49Å; I110-F157 HydrophobicContact CB-CE1 4.34Å; I110-F157 HydrophobicContact CG2-CE1 3.93Å; I110-F157 HydrophobicContact CG2-CZ 3.87Å; F112-F157 HydrophobicContact CB-CD2 3.75Å; F112-F157 HydrophobicContact CB-CE1 4.29Å; F112-F157 HydrophobicContact CB-CE2 3.29Å; F112-F157 HydrophobicContact CB-CG 4.45Å; F112-F157 HydrophobicContact CB-CZ 3.6Å; F112-F157 HydrophobicContact CD1-CD2 4.13Å; F112-F157 HydrophobicContact CD1-CE2 4.06Å; F112-F157 HydrophobicContact CG-CD2 4.26Å; F112-F157 AromaticContact CG-CE2 3.8Å; F112-F157 HydrophobicContact CG-CE2 3.8Å; F112-F157 HydrophobicContact CG-CZ 4.47Å; L125-F157 HydrophobicContact CD1-CE2 4.45Å; L125-F157 HydrophobicContact CD1-CZ 3.93Å; F157-I165 HydrophobicContact CD1-CG2 4.08Å; F157-I165 HydrophobicContact CD2-CG2 3.94Å; F157-I165 HydrophobicContact CE1-CD1 3.96Å; F157-I165 HydrophobicContact CE1-CG2 3.97Å; F157-I165 HydrophobicContact CE2-CG2 3.79Å; F157-I165 HydrophobicContact CG-CG2 4.06Å; F157-I165 HydrophobicContact CZ-CD1 3.71Å; F157-I165 HydrophobicContact CZ-CG2 3.81Å; F157-Y166 WeakPolarHBondContact CA-O 3.38Å; F157-V167 HydrophobicContact CD2-CB 4.47Å; F157-V167 HydrophobicContact CD2-CG1 4.3Å; F157-V167 HydrophobicContact CD2-CG2 3.59Å; F157-V167 HydrophobicContact CE2-CG2 3.74Å |
| 158 | T | 96.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 10% | 0.104 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.3 | -160.8 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | I165 Y166 F223 L232 | T158-I165 CarbonylContact O-C 3.59Å; T158-I165 WeakPolarHBondContact O-CA 3.46Å; T158-Y166 PolarHBondContact N-O 2.83Å; T158-Y166 PolarHBondContact O-N 2.82Å; T158-F223 HydrophobicContact CG2-CB 4.07Å; T158-L232 HydrophobicContact CG2-CD1 3.73Å |
| 159 | L | 93.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.131 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.7 | 173.4 | -174.9 | 65.7 | 0 | 0 | 0 | 110.7 | M103 D105 I165 L194 | M103-L159 HydrophobicContact CB-CB 4.42Å; M103-L159 HydrophobicContact CE-CB 4.46Å; M103-L159 HydrophobicContact CE-CD1 4.39Å; M103-L159 HydrophobicContact CE-CD2 3.99Å; M103-L159 HydrophobicContact SD-CB 3.83Å; M103-L159 HydrophobicContact SD-CD1 3.94Å; M103-L159 HydrophobicContact SD-CD2 4.35Å; M103-L159 HydrophobicContact SD-CG 4.25Å; D105-L159 HydrophobicContact CB-CD2 3.97Å; L159-I165 HydrophobicContact CD1-CG1 4.36Å; L159-L194 HydrophobicContact CD1-CD1 4Å |
| 160 | V | 90 | Very high | 93.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.6 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | N162 H163 T164 Y166 F223 P230 I251 | V160-N162 PolarHBondContact O-N 3.02Å; V160-H163 PolarHBondContact O-N 3.02Å; V160-T164 PolarHBondContact N-O 3.35Å; V160-T164 PolarHBondContact O-N 2.82Å; V160-T164 VanDerWaalsContact O-N 3.17Å; V160-Y166 HydrophobicContact CB-CD2 3.87Å; V160-Y166 HydrophobicContact CB-CE2 3.76Å; V160-Y166 HydrophobicContact CG1-CE2 4.21Å; V160-Y166 HydrophobicContact CG2-CD2 3.51Å; V160-Y166 HydrophobicContact CG2-CE2 3.8Å; V160-Y166 HydrophobicContact CG2-CG 4.37Å; V160-F223 HydrophobicContact CB-CD2 4.28Å; V160-F223 HydrophobicContact CB-CG 4.44Å; V160-F223 HydrophobicContact CG1-CD2 3.88Å; V160-F223 HydrophobicContact CG1-CE2 3.88Å; V160-F223 HydrophobicContact CG1-CG 4.48Å; V160-F223 HydrophobicContact CG1-CZ 4.43Å; V160-F223 HydrophobicContact CG2-CB 4.22Å; V160-F223 HydrophobicContact CG2-CD2 4.04Å; V160-F223 HydrophobicContact CG2-CG 4.18Å; V160-P230 HydrophobicContact CG1-CB 4.49Å; V160-I251 HydrophobicContact CG1-CD1 3.95Å; V160-I251 HydrophobicContact CG1-CG2 4.41Å; V160-I251 HydrophobicContact CG2-CD1 3.96Å |
| 161 | N | 80.5 | Confident | 93.5 | Very high | 42 Ų | 42 | 17.5 Ų | 17.5 | 23% | 0.225 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 23.2 | 175.8 | -65.1 | -25 | 0 | 0 | 0 | 115.6 | H163 F223 | N161-H163 VanDerWaalsContact CB-CE1 3.41Å; N161-H163 WeakPolarHBondContact CB-CE1 3.21Å; N161-H163 WeakPolarHBondContact CB-ND1 3.46Å; N161-H163 PolarHBondContact O-N 2.9Å; N161-H163 PolarHBondContact O-ND1 2.93Å; N161-F223 WeakPolarHBondContact OD1-CZ 3.35Å |
| 162 | N | 78.2 | Confident | 93.5 | Very high | 94 Ų | 94 | 15.1 Ų | 15.1 | 50% | 0.503 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.1 | -172.8 | -51.6 | -66.5 | 0 | 0 | 0 | 115 | V160 R701 | V160-N162 PolarHBondContact O-N 3.02Å; N162-R701 PolarHBondContact O-NH1 3.45Å |
| 163 | H | 81.8 | Confident | 93.3 | Very high | 49 Ų | 49 | 16.5 Ų | 16.5 | 23% | 0.227 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.6 | -26.3 | 178 | 65.5 | -90.7 | 0 | 0 | 0 | 117.8 | V160 N161 L194 R195 | V160-H163 PolarHBondContact O-N 3.02Å; N161-H163 VanDerWaalsContact CB-CE1 3.41Å; N161-H163 WeakPolarHBondContact CB-CE1 3.21Å; N161-H163 WeakPolarHBondContact CB-ND1 3.46Å; N161-H163 PolarHBondContact O-N 2.9Å; N161-H163 PolarHBondContact O-ND1 2.93Å; H163-L194 VanDerWaalsContact O-CB 3.3Å; H163-L194 WeakPolarHBondContact O-CB 3.29Å; H163-L194 WeakPolarHBondContact O-CG 3.46Å; H163-L194 PolarHBondContact O-N 3.01Å; H163-R195 HydrophobicContact CB-CG 3.77Å; H163-R195 PolarHBondContact NE2-NH1 2.99Å |
| 164 | T | 90 | Very high | 93 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.5 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | V160 Y166 T191 L192 | V160-T164 PolarHBondContact N-O 3.35Å; V160-T164 PolarHBondContact O-N 2.82Å; V160-T164 VanDerWaalsContact O-N 3.17Å; T164-Y166 HydrophobicContact CG2-CD2 4.11Å; T164-Y166 HydrophobicContact CG2-CE2 3.61Å; T164-T191 HydrophobicContact CG2-CG2 3.92Å; T164-L192 WeakPolarHBondContact CA-O 3.45Å |
| 165 | I | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.7 | 170.2 | -44.2 | -176.1 | 0 | 0 | 0 | 108.6 | M103 I110 F157 T158 L159 T191 L192 L194 | M103-I165 HydrophobicContact CG-CD1 4.1Å; M103-I165 HydrophobicContact SD-CD1 3.36Å; M103-I165 WeakPolarHBondContact SD-CD1 3.49Å; M103-I165 HydrophobicContact SD-CG1 3.55Å; M103-I165 VanDerWaalsContact SD-CG1 3.55Å; M103-I165 HydrophobicContact SD-CG2 4.48Å; I110-I165 HydrophobicContact CB-CD1 4.39Å; I110-I165 HydrophobicContact CD1-CD1 4.02Å; I110-I165 HydrophobicContact CG2-CD1 4.04Å; F157-I165 HydrophobicContact CD1-CG2 4.08Å; F157-I165 HydrophobicContact CD2-CG2 3.94Å; F157-I165 HydrophobicContact CE1-CD1 3.96Å; F157-I165 HydrophobicContact CE1-CG2 3.97Å; F157-I165 HydrophobicContact CE2-CG2 3.79Å; F157-I165 HydrophobicContact CG-CG2 4.06Å; F157-I165 HydrophobicContact CZ-CD1 3.71Å; F157-I165 HydrophobicContact CZ-CG2 3.81Å; T158-I165 CarbonylContact O-C 3.59Å; T158-I165 WeakPolarHBondContact O-CA 3.46Å; L159-I165 HydrophobicContact CD1-CG1 4.36Å; I165-T191 CarbonylContact O-C 3.58Å; I165-T191 VanDerWaalsContact O-CA 3.25Å; I165-T191 WeakPolarHBondContact O-CA 3.21Å; I165-L192 HydrophobicContact CB-CB 4.28Å; I165-L192 HydrophobicContact CD1-CD2 4.25Å; I165-L192 PolarHBondContact N-O 3.19Å; I165-L192 PolarHBondContact O-N 2.91Å; I165-L194 HydrophobicContact CD1-CD1 4.16Å; I165-L194 HydrophobicContact CD1-CD2 4.05Å; I165-L194 HydrophobicContact CD1-CG 4.41Å; I165-L194 HydrophobicContact CG1-CD1 3.99Å; I165-L194 HydrophobicContact CG1-CD2 4.28Å; I165-L194 HydrophobicContact CG1-CG 4.17Å |
| 166 | Y | 95.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.2 | 168.9 | -72.3 | -108.8 | 0 | 0 | 0 | 109.3 | F157 T158 V160 T164 L189 Y190 T191 L232 L249 I251 M268 | F157-Y166 WeakPolarHBondContact CA-O 3.38Å; T158-Y166 PolarHBondContact N-O 2.83Å; T158-Y166 PolarHBondContact O-N 2.82Å; V160-Y166 HydrophobicContact CB-CD2 3.87Å; V160-Y166 HydrophobicContact CB-CE2 3.76Å; V160-Y166 HydrophobicContact CG1-CE2 4.21Å; V160-Y166 HydrophobicContact CG2-CD2 3.51Å; V160-Y166 HydrophobicContact CG2-CE2 3.8Å; V160-Y166 HydrophobicContact CG2-CG 4.37Å; T164-Y166 HydrophobicContact CG2-CD2 4.11Å; T164-Y166 HydrophobicContact CG2-CE2 3.61Å; Y166-L189 HydrophobicContact CD1-CD1 4.21Å; Y166-Y190 WeakPolarHBondContact CA-O 3.23Å; Y166-T191 HydrophobicContact CD1-CG2 3.57Å; Y166-T191 HydrophobicContact CD2-CG2 4.19Å; Y166-T191 HydrophobicContact CE1-CG2 3.43Å; Y166-T191 VanDerWaalsContact CE1-CG2 3.43Å; Y166-T191 HydrophobicContact CE2-CG2 4.05Å; Y166-T191 HydrophobicContact CG-CG2 3.95Å; Y166-L232 HydrophobicContact CD1-CD2 4.14Å; Y166-L232 HydrophobicContact CG-CD2 4.15Å; Y166-L249 HydrophobicContact CD1-CD2 4.42Å; Y166-L249 HydrophobicContact CE1-CD2 4.3Å; Y166-I251 HydrophobicContact CD1-CD1 4.45Å; Y166-I251 HydrophobicContact CD2-CD1 4.48Å; Y166-I251 HydrophobicContact CE1-CD1 3.93Å; Y166-I251 HydrophobicContact CE1-CG1 4.37Å; Y166-I251 HydrophobicContact CE2-CD1 3.98Å; Y166-I251 WeakPolarHBondContact OH-CG2 3.44Å; Y166-M268 HydrophobicContact CE1-SD 4.38Å; Y166-M268 VanDerWaalsContact OH-CE 3.28Å; Y166-M268 WeakPolarHBondContact OH-CE 3.42Å |
| 167 | V | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.2 | 176.5 | -166.4 | 0 | 0 | 0 | 0 | 108.2 | F112 S156 F157 L189 Y190 W203 | F112-V167 HydrophobicContact CD1-CG1 4.26Å; F112-V167 HydrophobicContact CE1-CG1 4.19Å; S156-V167 WeakPolarHBondContact O-CA 3.31Å; F157-V167 HydrophobicContact CD2-CB 4.47Å; F157-V167 HydrophobicContact CD2-CG1 4.3Å; F157-V167 HydrophobicContact CD2-CG2 3.59Å; F157-V167 HydrophobicContact CE2-CG2 3.74Å; V167-L189 WeakPolarHBondContact O-CA 3.27Å; V167-Y190 PolarHBondContact N-O 2.86Å; V167-Y190 PolarHBondContact O-N 3.24Å; V167-W203 HydrophobicContact CG2-CH2 4.11Å; V167-W203 HydrophobicContact CG2-CZ3 3.7Å |
| 168 | F | 97.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.4 | -179.6 | -178.4 | -92 | 0 | 0 | 0 | 112.8 | S156 N187 D188 L189 P213 R216 H219 I234 W270 | S156-F168 PolarHBondContact N-O 2.91Å; S156-F168 VanDerWaalsContact N-O 3.15Å; S156-F168 PolarHBondContact O-N 3Å; S156-F168 VanDerWaalsContact O-N 3.12Å; S156-F168 PolarHBondContact OG-O 3.44Å; F168-N187 HydrophobicContact CE2-CB 4.43Å; F168-N187 WeakPolarHBondContact CE2-O 3.42Å; F168-N187 HydrophobicContact CZ-CB 4.02Å; F168-D188 WeakPolarHBondContact CA-O 3.4Å; F168-D188 WeakPolarHBondContact CD2-O 3.39Å; F168-L189 HydrophobicContact CB-CD1 3.98Å; F168-L189 HydrophobicContact CD2-CB 4.18Å; F168-L189 HydrophobicContact CD2-CD1 4.01Å; F168-L189 HydrophobicContact CG-CD1 4.5Å; F168-P213 HydrophobicContact CE1-CB 4.11Å; F168-P213 HydrophobicContact CE1-CG 4.12Å; F168-P213 HydrophobicContact CE2-CG 4.24Å; F168-P213 HydrophobicContact CZ-CB 3.75Å; F168-P213 HydrophobicContact CZ-CG 3.63Å; F168-R216 HydrophobicContact CE1-CG 4.1Å; F168-H219 AromaticContact CD1-NE2 3.81Å; F168-H219 PolarHBondContact O-CE1 2.88Å; F168-H219 VanDerWaalsContact O-CE1 3.31Å; F168-H219 PolarHBondContact O-NE2 2.71Å; F168-I234 HydrophobicContact CB-CD1 3.95Å; F168-I234 HydrophobicContact CD1-CD1 3.32Å; F168-I234 HydrophobicContact CD2-CD1 4.36Å; F168-I234 HydrophobicContact CE1-CD1 3.88Å; F168-I234 HydrophobicContact CG-CD1 3.6Å; F168-W270 HydrophobicContact CD2-CH2 4.33Å; F168-W270 AromaticContact CD2-CZ2 3.92Å; F168-W270 HydrophobicContact CD2-CZ2 3.92Å; F168-W270 HydrophobicContact CE2-CH2 4.47Å; F168-W270 AromaticContact CE2-CZ2 4Å; F168-W270 HydrophobicContact CE2-CZ2 4Å |
| 169 | G | 97.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.9 | -143.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.6 | R152 H155 L186 D188 | R152-G169 PolarHBondContact NH1-O 2.59Å; H155-G169 WeakPolarHBondContact CB-O 3.38Å; G169-L186 WeakPolarHBondContact CA-O 3.44Å; G169-D188 PolarHBondContact N-O 3.05Å |
| 170 | G | 97.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 109 | -162.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L153 L186 R216 | L153-G170 CarbonylContact O-C 3.45Å; L153-G170 WeakPolarHBondContact O-CA 3.38Å; G170-L186 WeakPolarHBondContact O-CB 3.47Å; G170-L186 PolarHBondContact O-N 3.36Å; G170-R216 WeakPolarHBondContact CA-O 3.46Å; G170-R216 PolarHBondContact N-O 2.86Å |
| 171 | L | 96 | Very high | 87.3 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.7 | 179.8 | -162.4 | 76.2 | 0 | 0 | 0 | 110 | Y121 R152 L153 P183 R184 Y185 E217 | Y121-L171 WeakPolarHBondContact CD2-O 3.44Å; Y121-L171 WeakPolarHBondContact CE2-O 3.48Å; R152-L171 CarbonylContact C-O 3.57Å; R152-L171 WeakPolarHBondContact CA-O 3.32Å; L153-L171 HydrophobicContact CD1-CB 3.78Å; L153-L171 HydrophobicContact CD1-CD2 4.12Å; L153-L171 HydrophobicContact CG-CB 4.15Å; L153-L171 PolarHBondContact N-O 3.39Å; L153-L171 PolarHBondContact O-N 3.12Å; L171-P183 HydrophobicContact CD1-CB 3.96Å; L171-P183 HydrophobicContact CD2-CB 3.83Å; L171-P183 HydrophobicContact CG-CB 4.08Å; L171-R184 WeakPolarHBondContact CA-O 3.37Å; L171-Y185 HydrophobicContact CD1-CD1 3.64Å; L171-Y185 HydrophobicContact CD1-CD2 4.41Å; L171-Y185 HydrophobicContact CD1-CE1 3.8Å; L171-Y185 HydrophobicContact CD1-CG 3.97Å; L171-E217 HydrophobicContact CB-CB 3.91Å; L171-E217 HydrophobicContact CB-CG 4.08Å; L171-E217 HydrophobicContact CD1-CG 4.2Å |
| 172 | A | 95.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 160.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P183 R184 L186 | A172-P183 WeakPolarHBondContact O-CA 3.43Å; A172-R184 PolarHBondContact N-O 3Å; A172-R184 PolarHBondContact O-N 3.36Å; A172-L186 HydrophobicContact CB-CD1 4.21Å; A172-L186 HydrophobicContact CB-CD2 4.21Å; A172-L186 HydrophobicContact CB-CG 4.48Å |
| 173 | N | 92.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.5 | 162.9 | -178.8 | 9.6 | 0 | 0 | 0 | 107.2 | G119 Y121 S175 V180 L182 | G119-N173 PolarHBondContact O-ND2 2.93Å; Y121-N173 HydrophobicContact CD2-CB 4.26Å; Y121-N173 HydrophobicContact CE2-CB 3.89Å; N173-S175 VanDerWaalsContact C-N 3.31Å; N173-S175 VanDerWaalsContact OD1-CB 3.23Å; N173-S175 WeakPolarHBondContact OD1-CB 3.48Å; N173-S175 PolarHBondContact OD1-N 3.43Å; N173-V180 PolarHBondContact ND2-O 3.01Å; N173-V180 PolarHBondContact OD1-O 3.4Å; N173-L182 WeakPolarHBondContact CA-O 3.36Å; N173-L182 PolarHBondContact OD1-N 2.81Å |
| 174 | D | 89.1 | Confident | 88.9 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | trans | -89.4 | 4.3 | 179.7 | -66.3 | -27.2 | 0 | 0 | 0 | 112.9 | L182 R184 | D174-L182 PolarHBondContact N-O 3.2Å; D174-R184 VanDerWaalsContact CG-NE 3.29Å; D174-R184 IonicContact OD1-CZ 2.63Å; D174-R184 VanDerWaalsContact OD1-CZ 3.31Å; D174-R184 IonicContact OD1-NE 3.02Å; D174-R184 PolarHBondContact OD1-NE 3.16Å; D174-R184 IonicContact OD1-NH2 3.95Å; D174-R184 PolarHBondContact OD1-NH2 3.24Å; D174-R184 VanDerWaalsContact OD2-CB 3.22Å; D174-R184 WeakPolarHBondContact OD2-CB 3.45Å; D174-R184 VanDerWaalsContact OD2-CD 3.25Å; D174-R184 WeakPolarHBondContact OD2-CD 3.48Å; D174-R184 IonicContact OD2-CZ 2.69Å; D174-R184 IonicContact OD2-NE 3.18Å; D174-R184 PolarHBondContact OD2-NE 3.16Å; D174-R184 IonicContact OD2-NH2 2.7Å | ||
| 175 | S | 87.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -75.8 | 135 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | N173 D177 V180 | N173-S175 VanDerWaalsContact C-N 3.31Å; N173-S175 VanDerWaalsContact OD1-CB 3.23Å; N173-S175 WeakPolarHBondContact OD1-CB 3.48Å; N173-S175 PolarHBondContact OD1-N 3.43Å; S175-D177 WeakPolarHBondContact CB-O 3.45Å; S175-D177 PolarHBondContact OG-N 2.89Å; S175-D177 VanDerWaalsContact OG-N 3.16Å; S175-D177 PolarHBondContact OG-O 3.23Å; S175-V180 WeakPolarHBondContact CB-O 3.49Å; S175-V180 WeakPolarHBondContact OG-CB 3.44Å; S175-V180 PolarHBondContact OG-O 3.24Å | ||
| 176 | N | 79.2 | Confident | 89.4 | Confident | 172 Ų | 172 | 52.9 Ų | 52.9 | 92% | 0.92 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -74.8 | -24 | 169.4 | -68.6 | -37.1 | 0 | 0 | 0 | 112.9 | ||
| 177 | D | 79.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -90.8 | 116.4 | 168.6 | 180 | -3.7 | 0 | 0 | 0 | 108.7 | S175 K179 V180 | S175-D177 WeakPolarHBondContact CB-O 3.45Å; S175-D177 PolarHBondContact OG-N 2.89Å; S175-D177 VanDerWaalsContact OG-N 3.16Å; S175-D177 PolarHBondContact OG-O 3.23Å; D177-K179 PolarHBondContact O-N 2.95Å; D177-K179 VanDerWaalsContact O-N 3.14Å; D177-K179 VanDerWaalsContact OD1-CB 3.32Å; D177-K179 WeakPolarHBondContact OD1-CB 3.4Å; D177-K179 WeakPolarHBondContact OD1-CG 3.35Å; D177-K179 PolarHBondContact OD1-N 3.47Å; D177-V180 HydrophobicContact CB-CB 4.45Å; D177-V180 HydrophobicContact CB-CG2 4.29Å; D177-V180 PolarHBondContact O-N 3.13Å; D177-V180 VanDerWaalsContact O-O 3.05Å |
| 178 | P | 67.9 | Low | 89.4 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.1 | 179.3 | 27.6 | -35.9 | 0 | 0 | 0 | 114.1 | G119 R120 | G119-P178 CarbonylContact C-O 3.53Å; G119-P178 WeakPolarHBondContact CA-O 3.18Å; R120-P178 HydrophobicContact CB-CB 4.39Å |
| 179 | K | 74.4 | Confident | 89.3 | Confident | 166 Ų | 166 | 58.2 Ų | 58.2 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -27.2 | 173.2 | -60.1 | 173 | -176.7 | 172.9 | 0 | 112.5 | D177 | D177-K179 PolarHBondContact O-N 2.95Å; D177-K179 VanDerWaalsContact O-N 3.14Å; D177-K179 VanDerWaalsContact OD1-CB 3.32Å; D177-K179 WeakPolarHBondContact OD1-CB 3.4Å; D177-K179 WeakPolarHBondContact OD1-CG 3.35Å; D177-K179 PolarHBondContact OD1-N 3.47Å |
| 180 | V | 80 | Confident | 89.2 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 42% | 0.418 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -93.1 | 134 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | N173 S175 D177 L182 | N173-V180 PolarHBondContact ND2-O 3.01Å; N173-V180 PolarHBondContact OD1-O 3.4Å; S175-V180 WeakPolarHBondContact CB-O 3.49Å; S175-V180 WeakPolarHBondContact OG-CB 3.44Å; S175-V180 PolarHBondContact OG-O 3.24Å; D177-V180 HydrophobicContact CB-CB 4.45Å; D177-V180 HydrophobicContact CB-CG2 4.29Å; D177-V180 PolarHBondContact O-N 3.13Å; D177-V180 VanDerWaalsContact O-O 3.05Å; V180-L182 HydrophobicContact CG1-CD2 4.42Å; V180-L182 HydrophobicContact CG1-CG 4.21Å |
| 181 | N | 80.8 | Confident | 89 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | -112.4 | 104.8 | -177.7 | -173.2 | 63.3 | 0 | 0 | 0 | 109.4 | F118 Y121 P183 | F118-N181 HydrophobicContact CE1-CB 4.46Å; F118-N181 HydrophobicContact CZ-CB 4.45Å; Y121-N181 PolarHBondContact OH-OD1 3.02Å; N181-P183 WeakPolarHBondContact O-CD 3.26Å | ||
| 182 | L | 88.8 | Confident | 88.8 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | trans | -106.2 | 86.4 | 173.7 | -64.6 | 179.3 | 0 | 0 | 0 | 108.6 | N173 D174 V180 R184 | N173-L182 WeakPolarHBondContact CA-O 3.36Å; N173-L182 PolarHBondContact OD1-N 2.81Å; D174-L182 PolarHBondContact N-O 3.2Å; V180-L182 HydrophobicContact CG1-CD2 4.42Å; V180-L182 HydrophobicContact CG1-CG 4.21Å; L182-R184 PolarHBondContact O-N 3.09Å | ||
| 183 | P | 89.9 | Confident | 88.4 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 118.8 | -168.1 | 30.5 | -36.7 | 0 | 0 | 0 | 113 | L171 A172 N181 | L171-P183 HydrophobicContact CD1-CB 3.96Å; L171-P183 HydrophobicContact CD2-CB 3.83Å; L171-P183 HydrophobicContact CG-CB 4.08Å; A172-P183 WeakPolarHBondContact O-CA 3.43Å; N181-P183 WeakPolarHBondContact O-CD 3.26Å |
| 184 | R | 94.7 | Very high | 88 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.1 | 172 | 175.3 | 170.5 | 53.5 | 95.6 | 5.8 | 111.6 | L171 A172 D174 L182 L186 | L171-R184 WeakPolarHBondContact CA-O 3.37Å; A172-R184 PolarHBondContact N-O 3Å; A172-R184 PolarHBondContact O-N 3.36Å; D174-R184 VanDerWaalsContact CG-NE 3.29Å; D174-R184 IonicContact OD1-CZ 2.63Å; D174-R184 VanDerWaalsContact OD1-CZ 3.31Å; D174-R184 IonicContact OD1-NE 3.02Å; D174-R184 PolarHBondContact OD1-NE 3.16Å; D174-R184 IonicContact OD1-NH2 3.95Å; D174-R184 PolarHBondContact OD1-NH2 3.24Å; D174-R184 VanDerWaalsContact OD2-CB 3.22Å; D174-R184 WeakPolarHBondContact OD2-CB 3.45Å; D174-R184 VanDerWaalsContact OD2-CD 3.25Å; D174-R184 WeakPolarHBondContact OD2-CD 3.48Å; D174-R184 IonicContact OD2-CZ 2.69Å; D174-R184 IonicContact OD2-NE 3.18Å; D174-R184 PolarHBondContact OD2-NE 3.16Å; D174-R184 IonicContact OD2-NH2 2.7Å; L182-R184 PolarHBondContact O-N 3.09Å; R184-L186 HydrophobicContact CG-CD2 4.38Å; R184-L186 VanDerWaalsContact NH1-CD2 3.3Å |
| 185 | Y | 97.4 | Very high | 87.2 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 147.6 | 172.4 | -57.4 | -85.7 | 0 | 0 | 0 | 111.2 | L171 E217 M238 G240 | L171-Y185 HydrophobicContact CD1-CD1 3.64Å; L171-Y185 HydrophobicContact CD1-CD2 4.41Å; L171-Y185 HydrophobicContact CD1-CE1 3.8Å; L171-Y185 HydrophobicContact CD1-CG 3.97Å; Y185-E217 HydrophobicContact CD1-CB 4.22Å; Y185-E217 HydrophobicContact CD1-CG 3.89Å; Y185-E217 HydrophobicContact CE1-CG 3.75Å; Y185-M238 VanDerWaalsContact CD1-O 3.29Å; Y185-M238 WeakPolarHBondContact CD1-O 3.43Å; Y185-M238 HydrophobicContact CE1-CE 4.46Å; Y185-M238 HydrophobicContact CE1-CG 4.48Å; Y185-M238 WeakPolarHBondContact CE1-O 3.35Å; Y185-M238 WeakPolarHBondContact OH-CE 3.45Å; Y185-G240 PolarHBondContact OH-N 3.49Å; Y185-G240 VanDerWaalsContact OH-N 3.1Å |
| 186 | L | 97.8 | Very high | 86.1 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.7 | -174.7 | -51.5 | 174.5 | 0 | 0 | 0 | 111.8 | R152 G169 G170 A172 R184 D188 P215 R216 | R152-L186 HydrophobicContact CB-CD1 4.26Å; R152-L186 VanDerWaalsContact CZ-CD1 3.49Å; G169-L186 WeakPolarHBondContact CA-O 3.44Å; G170-L186 WeakPolarHBondContact O-CB 3.47Å; G170-L186 PolarHBondContact O-N 3.36Å; A172-L186 HydrophobicContact CB-CD1 4.21Å; A172-L186 HydrophobicContact CB-CD2 4.21Å; A172-L186 HydrophobicContact CB-CG 4.48Å; R184-L186 HydrophobicContact CG-CD2 4.38Å; R184-L186 VanDerWaalsContact NH1-CD2 3.3Å; L186-D188 WeakPolarHBondContact CB-OD1 3.36Å; L186-P215 WeakPolarHBondContact O-CA 3.44Å; L186-R216 PolarHBondContact O-N 2.97Å |
| 187 | N | 96.6 | Very high | 85.1 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 18 | 170.8 | 62 | -25.4 | 0 | 0 | 0 | 112.8 | F168 P213 P215 | F168-N187 HydrophobicContact CE2-CB 4.43Å; F168-N187 WeakPolarHBondContact CE2-O 3.42Å; F168-N187 HydrophobicContact CZ-CB 4.02Å; N187-P213 VanDerWaalsContact CB-O 3.28Å; N187-P213 WeakPolarHBondContact CB-O 3.29Å; N187-P215 HydrophobicContact CB-CB 4.38Å; N187-P215 HydrophobicContact CB-CG 4.06Å |
| 188 | D | 96.1 | Very high | 84.4 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 152.8 | 176.5 | 52.5 | -1.6 | 0 | 0 | 0 | 111.5 | R152 F168 G169 L186 Y190 | R152-D188 IonicContact CZ-OD1 3.79Å; R152-D188 IonicContact CZ-OD2 3.82Å; R152-D188 VanDerWaalsContact NH1-CG 3.33Å; R152-D188 IonicContact NH1-OD1 2.94Å; R152-D188 PolarHBondContact NH1-OD1 3.12Å; R152-D188 IonicContact NH1-OD2 3.77Å; R152-D188 PolarHBondContact NH1-OD2 3.49Å; R152-D188 IonicContact NH2-OD1 3.47Å; R152-D188 IonicContact NH2-OD2 2.73Å; R152-D188 PolarHBondContact NH2-OD2 3.28Å; F168-D188 WeakPolarHBondContact CA-O 3.4Å; F168-D188 WeakPolarHBondContact CD2-O 3.39Å; G169-D188 PolarHBondContact N-O 3.05Å; L186-D188 WeakPolarHBondContact CB-OD1 3.36Å; D188-Y190 HydrophobicContact CB-CE2 3.99Å; D188-Y190 WeakPolarHBondContact OD2-CE2 3.36Å |
| 189 | L | 96.1 | Very high | 84.2 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | 179.4 | -176.2 | 68.2 | 0 | 0 | 0 | 109.7 | Y166 V167 F168 P206 V208 L249 W270 | Y166-L189 HydrophobicContact CD1-CD1 4.21Å; V167-L189 WeakPolarHBondContact O-CA 3.27Å; F168-L189 HydrophobicContact CB-CD1 3.98Å; F168-L189 HydrophobicContact CD2-CB 4.18Å; F168-L189 HydrophobicContact CD2-CD1 4.01Å; F168-L189 HydrophobicContact CG-CD1 4.5Å; L189-P206 HydrophobicContact CD2-CG 3.69Å; L189-P206 HydrophobicContact CG-CG 3.92Å; L189-V208 HydrophobicContact CD2-CG1 3.64Å; L189-L249 HydrophobicContact CD2-CD2 3.74Å; L189-W270 HydrophobicContact CD1-CZ2 4.41Å; L189-W270 HydrophobicContact CD2-CZ2 4.19Å |
| 190 | Y | 96.1 | Very high | 84.2 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.5 | 173 | -62.5 | -95.4 | 0 | 0 | 0 | 111.1 | S147 P149 Y166 V167 D188 E204 I205 | S147-Y190 WeakPolarHBondContact O-CE1 3.26Å; S147-Y190 PolarHBondContact O-OH 2.97Å; P149-Y190 HydrophobicContact CB-CD2 3.89Å; P149-Y190 HydrophobicContact CB-CE1 4.44Å; P149-Y190 HydrophobicContact CB-CE2 3.74Å; P149-Y190 HydrophobicContact CB-CG 4.32Å; P149-Y190 HydrophobicContact CG-CD1 3.82Å; P149-Y190 HydrophobicContact CG-CD2 3.8Å; P149-Y190 HydrophobicContact CG-CE1 4.02Å; P149-Y190 HydrophobicContact CG-CE2 4.01Å; P149-Y190 HydrophobicContact CG-CG 3.71Å; Y166-Y190 WeakPolarHBondContact CA-O 3.23Å; V167-Y190 PolarHBondContact N-O 2.86Å; V167-Y190 PolarHBondContact O-N 3.24Å; D188-Y190 HydrophobicContact CB-CE2 3.99Å; D188-Y190 WeakPolarHBondContact OD2-CE2 3.36Å; Y190-E204 CarbonylContact C-O 3.5Å; Y190-E204 WeakPolarHBondContact CA-O 3.41Å; Y190-I205 HydrophobicContact CD1-CD1 4.49Å; Y190-I205 HydrophobicContact CD1-CG1 3.73Å; Y190-I205 HydrophobicContact CE1-CD1 3.87Å; Y190-I205 HydrophobicContact CE1-CG1 3.61Å |
| 191 | T | 93.8 | Very high | 84.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150.7 | 172 | 42.6 | 0 | 0 | 0 | 0 | 112.3 | T164 I165 Y166 E204 P206 | T164-T191 HydrophobicContact CG2-CG2 3.92Å; I165-T191 CarbonylContact O-C 3.58Å; I165-T191 VanDerWaalsContact O-CA 3.25Å; I165-T191 WeakPolarHBondContact O-CA 3.21Å; Y166-T191 HydrophobicContact CD1-CG2 3.57Å; Y166-T191 HydrophobicContact CD2-CG2 4.19Å; Y166-T191 HydrophobicContact CE1-CG2 3.43Å; Y166-T191 VanDerWaalsContact CE1-CG2 3.43Å; Y166-T191 HydrophobicContact CE2-CG2 4.05Å; Y166-T191 HydrophobicContact CG-CG2 3.95Å; T191-E204 PolarHBondContact N-O 2.78Å; T191-E204 PolarHBondContact O-N 3.37Å; T191-E204 PolarHBondContact OG1-O 3.07Å; T191-P206 HydrophobicContact CG2-CG 4.09Å |
| 192 | L | 91.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 118 | 173.5 | -171.5 | 69.2 | 0 | 0 | 0 | 109.3 | L125 P140 T164 I165 L194 L201 R202 W203 | L125-L192 HydrophobicContact CD1-CD2 4.44Å; L125-L192 HydrophobicContact CD2-CD2 3.56Å; P140-L192 HydrophobicContact CB-CD1 3.89Å; P140-L192 HydrophobicContact CG-CD1 4.02Å; T164-L192 WeakPolarHBondContact CA-O 3.45Å; I165-L192 HydrophobicContact CB-CB 4.28Å; I165-L192 HydrophobicContact CD1-CD2 4.25Å; I165-L192 PolarHBondContact N-O 3.19Å; I165-L192 PolarHBondContact O-N 2.91Å; L192-L194 HydrophobicContact CD2-CD2 4.48Å; L192-L201 HydrophobicContact CD1-CB 4.11Å; L192-L201 HydrophobicContact CD1-CD2 4.34Å; L192-L201 HydrophobicContact CG-CD2 4.27Å; L192-R202 WeakPolarHBondContact CD1-O 3.42Å; L192-W203 HydrophobicContact CB-CE3 4.2Å; L192-W203 HydrophobicContact CB-CZ3 4Å; L192-W203 HydrophobicContact CD1-CD2 4.39Å; L192-W203 HydrophobicContact CD1-CE3 4.31Å; L192-W203 HydrophobicContact CD2-CH2 4.37Å; L192-W203 HydrophobicContact CD2-CZ3 4.47Å |
| 193 | D | 85.7 | Confident | 85.1 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.5 | -177.1 | -171.8 | -6.3 | 0 | 0 | 0 | 112.2 | R195 F196 L201 | D193-R195 VanDerWaalsContact CG-NE 3.35Å; D193-R195 VanDerWaalsContact OD1-CB 3.26Å; D193-R195 WeakPolarHBondContact OD1-CB 3.28Å; D193-R195 WeakPolarHBondContact OD1-CG 3.3Å; D193-R195 IonicContact OD1-CZ 3.68Å; D193-R195 PolarHBondContact OD1-N 2.89Å; D193-R195 IonicContact OD1-NE 3.96Å; D193-R195 PolarHBondContact OD1-NE 2.81Å; D193-R195 VanDerWaalsContact OD1-NE 3.07Å; D193-R195 IonicContact OD2-CZ 3.01Å; D193-R195 IonicContact OD2-NE 3.85Å; D193-R195 PolarHBondContact OD2-NE 3.13Å; D193-R195 IonicContact OD2-NH2 2.72Å; D193-R195 PolarHBondContact OD2-NH2 3.41Å; D193-F196 VanDerWaalsContact OD2-CE2 3.3Å; D193-F196 WeakPolarHBondContact OD2-CE2 3.22Å; D193-L201 WeakPolarHBondContact O-CD2 3.42Å |
| 194 | L | 84.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | trans | -88.6 | -0.1 | -178 | -51.3 | -179.9 | 0 | 0 | 0 | 113.8 | M103 I110 L159 H163 I165 L192 L201 | M103-L194 HydrophobicContact CE-CD1 4.42Å; M103-L194 HydrophobicContact SD-CD1 4.38Å; I110-L194 HydrophobicContact CD1-CD1 3.76Å; I110-L194 HydrophobicContact CD1-CD2 3.74Å; I110-L194 HydrophobicContact CD1-CG 4.42Å; L159-L194 HydrophobicContact CD1-CD1 4Å; H163-L194 VanDerWaalsContact O-CB 3.3Å; H163-L194 WeakPolarHBondContact O-CB 3.29Å; H163-L194 WeakPolarHBondContact O-CG 3.46Å; H163-L194 PolarHBondContact O-N 3.01Å; I165-L194 HydrophobicContact CD1-CD1 4.16Å; I165-L194 HydrophobicContact CD1-CD2 4.05Å; I165-L194 HydrophobicContact CD1-CG 4.41Å; I165-L194 HydrophobicContact CG1-CD1 3.99Å; I165-L194 HydrophobicContact CG1-CD2 4.28Å; I165-L194 HydrophobicContact CG1-CG 4.17Å; L192-L194 HydrophobicContact CD2-CD2 4.48Å; L194-L201 HydrophobicContact CD2-CD2 3.93Å | ||
| 195 | R | 73.4 | Confident | 85 | Confident | 154 Ų | 154 | 52.4 Ų | 52.4 | 58% | 0.581 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -37.9 | -177.3 | -70.1 | 179 | -70.2 | -165.3 | 7.5 | 113.4 | H163 D193 G197 | H163-R195 HydrophobicContact CB-CG 3.77Å; H163-R195 PolarHBondContact NE2-NH1 2.99Å; D193-R195 VanDerWaalsContact CG-NE 3.35Å; D193-R195 VanDerWaalsContact OD1-CB 3.26Å; D193-R195 WeakPolarHBondContact OD1-CB 3.28Å; D193-R195 WeakPolarHBondContact OD1-CG 3.3Å; D193-R195 IonicContact OD1-CZ 3.68Å; D193-R195 PolarHBondContact OD1-N 2.89Å; D193-R195 IonicContact OD1-NE 3.96Å; D193-R195 PolarHBondContact OD1-NE 2.81Å; D193-R195 VanDerWaalsContact OD1-NE 3.07Å; D193-R195 IonicContact OD2-CZ 3.01Å; D193-R195 IonicContact OD2-NE 3.85Å; D193-R195 PolarHBondContact OD2-NE 3.13Å; D193-R195 IonicContact OD2-NH2 2.72Å; D193-R195 PolarHBondContact OD2-NH2 3.41Å; R195-G197 PolarHBondContact O-N 2.99Å |
| 196 | F | 62.7 | Low | 84.7 | Confident | 143 Ų | 143 | 50.5 Ų | 50.5 | 63% | 0.627 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 12.7 | -173.1 | -55.9 | -73.3 | 0 | 0 | 0 | 113.9 | D193 | D193-F196 VanDerWaalsContact OD2-CE2 3.3Å; D193-F196 WeakPolarHBondContact OD2-CE2 3.22Å |
| 197 | G | 60 | Low | 84 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | trans | 77 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R195 N199 | R195-G197 PolarHBondContact O-N 2.99Å; G197-N199 PolarHBondContact O-N 3.26Å | ||
| 198 | T | 64.9 | Low | 83.6 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -65 | -23.6 | -175.9 | 48 | 0 | 0 | 0 | 0 | 114 | E127 L138 L201 | E127-T198 WeakPolarHBondContact OE2-CG2 3.22Å; L138-T198 HydrophobicContact CD2-CG2 4.02Å; T198-L201 WeakPolarHBondContact O-CD1 3.46Å; T198-L201 WeakPolarHBondContact O-CG 3.32Å |
| 199 | N | 63.4 | Low | 83.3 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -90.4 | -3.8 | -170.3 | -60.1 | 14.3 | 0 | 0 | 0 | 113.2 | G197 | G197-N199 PolarHBondContact O-N 3.26Š|
| 200 | S | 73.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -130.1 | 23.6 | -179.8 | -56 | 0 | 0 | 0 | 0 | 111.8 | ||
| 201 | L | 85.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -64.3 | 137.3 | 175.6 | -68 | 176.4 | 0 | 0 | 0 | 110.5 | L125 L138 P140 H141 L192 D193 L194 T198 | L125-L201 HydrophobicContact CD2-CD1 4.48Å; L138-L201 HydrophobicContact CB-CD1 4.42Å; L138-L201 HydrophobicContact CD1-CD1 3.74Å; L138-L201 HydrophobicContact CD2-CD1 4.29Å; L138-L201 HydrophobicContact CG-CD1 4.39Å; P140-L201 CarbonylContact C-O 3.43Å; P140-L201 WeakPolarHBondContact CA-O 3.35Å; P140-L201 HydrophobicContact CB-CB 3.97Å; P140-L201 HydrophobicContact CG-CB 4.24Å; H141-L201 PolarHBondContact CD2-O 2.56Å; H141-L201 PolarHBondContact N-O 2.91Å; L192-L201 HydrophobicContact CD1-CB 4.11Å; L192-L201 HydrophobicContact CD1-CD2 4.34Å; L192-L201 HydrophobicContact CG-CD2 4.27Å; D193-L201 WeakPolarHBondContact O-CD2 3.42Å; L194-L201 HydrophobicContact CD2-CD2 3.93Å; T198-L201 WeakPolarHBondContact O-CD1 3.46Å; T198-L201 WeakPolarHBondContact O-CG 3.32Å | ||
| 202 | R | 90 | Very high | 82.2 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 35% | 0.347 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 131.5 | 177.8 | 171.6 | -178.1 | -67.1 | -90.6 | 10 | 108.9 | H141 N142 L192 E204 | H141-R202 HydrophobicContact CB-CB 4.27Å; H141-R202 HydrophobicContact CB-CG 4.41Å; H141-R202 WeakPolarHBondContact O-CA 3.29Å; N142-R202 PolarHBondContact O-NH1 2.95Å; L192-R202 WeakPolarHBondContact CD1-O 3.42Å; R202-E204 HydrophobicContact CG-CG 3.99Å |
| 203 | W | 94.1 | Very high | 82.4 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 5% | 0.045 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.4 | 164.6 | -71.2 | 115.8 | 0 | 0 | 0 | 109.4 | F112 P140 H141 P143 P149 V167 L192 | F112-W203 HydrophobicContact CD2-CH2 4.03Å; F112-W203 AromaticContact CD2-CZ2 3.89Å; F112-W203 HydrophobicContact CD2-CZ2 3.89Å; F112-W203 HydrophobicContact CE1-CH2 4.42Å; F112-W203 AromaticContact CE2-CH2 3.85Å; F112-W203 HydrophobicContact CE2-CH2 3.85Å; F112-W203 AromaticContact CE2-CZ2 3.44Å; F112-W203 HydrophobicContact CE2-CZ2 3.44Å; F112-W203 VanDerWaalsContact CE2-CZ2 3.44Å; F112-W203 HydrophobicContact CG-CH2 4.4Å; F112-W203 HydrophobicContact CZ-CH2 4.08Å; F112-W203 AromaticContact CZ-CZ2 3.93Å; F112-W203 HydrophobicContact CZ-CZ2 3.93Å; P140-W203 HydrophobicContact CB-CG 4.34Å; P140-W203 HydrophobicContact CG-CZ2 4.44Å; H141-W203 PolarHBondContact O-N 3.05Å; P143-W203 WeakPolarHBondContact CA-O 3.34Å; P143-W203 VanDerWaalsContact CB-O 3.3Å; P143-W203 WeakPolarHBondContact CB-O 3.42Å; P149-W203 HydrophobicContact CG-CD2 3.77Å; P149-W203 HydrophobicContact CG-CE3 3.87Å; P149-W203 HydrophobicContact CG-CG 4.31Å; P149-W203 HydrophobicContact CG-CH2 4.26Å; P149-W203 HydrophobicContact CG-CZ2 4.17Å; P149-W203 HydrophobicContact CG-CZ3 4.12Å; V167-W203 HydrophobicContact CG2-CH2 4.11Å; V167-W203 HydrophobicContact CG2-CZ3 3.7Å; L192-W203 HydrophobicContact CB-CE3 4.2Å; L192-W203 HydrophobicContact CB-CZ3 4Å; L192-W203 HydrophobicContact CD1-CD2 4.39Å; L192-W203 HydrophobicContact CD1-CE3 4.31Å; L192-W203 HydrophobicContact CD2-CH2 4.37Å; L192-W203 HydrophobicContact CD2-CZ3 4.47Å |
| 204 | E | 91.1 | Very high | 82.8 | Confident | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.7 | 172 | -63.7 | -168.7 | 138.5 | 0 | 0 | 109.8 | K144 Y190 T191 R202 P206 | K144-E204 IonicContact NZ-OE1 2.99Å; Y190-E204 CarbonylContact C-O 3.5Å; Y190-E204 WeakPolarHBondContact CA-O 3.41Å; T191-E204 PolarHBondContact N-O 2.78Å; T191-E204 PolarHBondContact O-N 3.37Å; T191-E204 PolarHBondContact OG1-O 3.07Å; R202-E204 HydrophobicContact CG-CG 3.99Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å |
| 205 | I | 91.5 | Very high | 83.5 | Confident | 83 Ų | 83 | 70.7 Ų | 70.7 | 43% | 0.426 | 38% | 0.379 | S | S | . | . | trans | -100.8 | 105.1 | 172.3 | -57.7 | 179.2 | 0 | 0 | 0 | 106.1 | P143 E145 Y190 | P143-I205 HydrophobicContact CB-CG1 4.29Å; P143-I205 HydrophobicContact CG-CD1 4.44Å; P143-I205 HydrophobicContact CG-CG1 4.49Å; E145-I205 WeakPolarHBondContact O-CD1 3.46Å; Y190-I205 HydrophobicContact CD1-CD1 4.49Å; Y190-I205 HydrophobicContact CD1-CG1 3.73Å; Y190-I205 HydrophobicContact CE1-CD1 3.87Å; Y190-I205 HydrophobicContact CE1-CG1 3.61Å | ||
| 206 | P | 89.4 | Confident | 84.6 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | trans | -71.6 | 136.8 | -179.2 | 29.7 | -35.5 | 0 | 0 | 0 | 110.8 | L189 T191 E204 V208 M268 | L189-P206 HydrophobicContact CD2-CG 3.69Å; L189-P206 HydrophobicContact CG-CG 3.92Å; T191-P206 HydrophobicContact CG2-CG 4.09Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-V208 PolarHBondContact O-N 2.95Å; P206-M268 HydrophobicContact CB-SD 3.82Å | ||
| 207 | L | 84.7 | Confident | 86.3 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 67% | 0.67 | 33% | 0.325 | S | S | * | . | trans | -68.6 | 114.6 | 172.4 | -176.5 | 63.5 | 0 | 0 | 0 | 109.6 | Y209 | L207-Y209 HydrophobicContact CD2-CE2 3.83Å; L207-Y209 WeakPolarHBondContact CD2-OH 3.44Å; L207-Y209 HydrophobicContact CG-CD2 4.44Å; L207-Y209 HydrophobicContact CG-CE2 3.67Å | ||
| 208 | V | 88.2 | Confident | 88 | Confident | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.297 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.5 | -179.3 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | L189 P206 L249 M268 | L189-V208 HydrophobicContact CD2-CG1 3.64Å; P206-V208 PolarHBondContact O-N 2.95Å; V208-L249 HydrophobicContact CG1-CD1 4.19Å; V208-M268 CarbonylContact C-O 3.51Å; V208-M268 VanDerWaalsContact CA-O 3.25Å; V208-M268 WeakPolarHBondContact CA-O 3.35Å; V208-M268 HydrophobicContact CG1-CB 4.03Å |
| 209 | Y | 87.9 | Confident | 89.6 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 38% | 0.384 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 167.9 | -174.3 | -66.6 | -108.8 | 0 | 0 | 0 | 110.6 | L207 N267 M268 T269 W270 | L207-Y209 HydrophobicContact CD2-CE2 3.83Å; L207-Y209 WeakPolarHBondContact CD2-OH 3.44Å; L207-Y209 HydrophobicContact CG-CD2 4.44Å; L207-Y209 HydrophobicContact CG-CE2 3.67Å; Y209-N267 HydrophobicContact CD1-CB 4.45Å; Y209-N267 WeakPolarHBondContact CD1-ND2 3.48Å; Y209-N267 HydrophobicContact CD2-CB 3.28Å; Y209-N267 VanDerWaalsContact CD2-CG 3.47Å; Y209-N267 VanDerWaalsContact CE1-ND2 3.35Å; Y209-N267 WeakPolarHBondContact CE1-ND2 3.43Å; Y209-N267 HydrophobicContact CE2-CB 3.61Å; Y209-N267 WeakPolarHBondContact CE2-ND2 3.32Å; Y209-N267 HydrophobicContact CG-CB 3.73Å; Y209-N267 VanDerWaalsContact CZ-ND2 3.33Å; Y209-M268 PolarHBondContact N-O 3.34Å; Y209-T269 CarbonylContact O-C 3.55Å; Y209-T269 WeakPolarHBondContact O-CA 2.94Å; Y209-W270 PolarHBondContact O-N 2.82Å |
| 210 | G | 86.4 | Confident | 91.2 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 52% | 0.515 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.3 | -170.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112 | P212 | G210-P212 WeakPolarHBondContact O-CD 2.84Å |
| 211 | N | 85.9 | Confident | 92.3 | Very high | 130 Ų | 130 | 46 Ų | 46 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 117.7 | 179.9 | -68.5 | -20.1 | 0 | 0 | 0 | 109.3 | W247 W270 | N211-W247 HydrophobicContact CB-CZ3 4.49Å; N211-W247 WeakPolarHBondContact O-CZ3 3.36Å; N211-W270 WeakPolarHBondContact O-CB 3.3Å |
| 212 | P | 90.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 159.3 | 175.3 | 30.2 | -35.1 | 0 | 0 | 0 | 111.3 | G210 W270 | G210-P212 WeakPolarHBondContact O-CD 2.84Å; P212-W270 HydrophobicContact CB-CG 4.41Å |
| 213 | P | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.8 | 174.5 | -15.6 | 27.1 | 0 | 0 | 0 | 110.8 | F168 N187 W247 W270 | F168-P213 HydrophobicContact CE1-CB 4.11Å; F168-P213 HydrophobicContact CE1-CG 4.12Å; F168-P213 HydrophobicContact CE2-CG 4.24Å; F168-P213 HydrophobicContact CZ-CB 3.75Å; F168-P213 HydrophobicContact CZ-CG 3.63Å; N187-P213 VanDerWaalsContact CB-O 3.28Å; N187-P213 WeakPolarHBondContact CB-O 3.29Å; P213-W247 HydrophobicContact CB-CB 4.45Å; P213-W247 HydrophobicContact CB-CD2 3.88Å; P213-W247 HydrophobicContact CB-CG 3.79Å; P213-W247 HydrophobicContact CG-CB 3.81Å; P213-W247 HydrophobicContact CG-CD2 3.87Å; P213-W247 HydrophobicContact CG-CE3 4.26Å; P213-W247 HydrophobicContact CG-CG 3.64Å; P213-W270 HydrophobicContact CG-CD2 4.21Å; P213-W270 HydrophobicContact CG-CE3 3.79Å; P213-W270 HydrophobicContact CG-CH2 4.11Å; P213-W270 HydrophobicContact CG-CZ2 4.47Å; P213-W270 HydrophobicContact CG-CZ3 3.75Å |
| 214 | P | 95.9 | Very high | 93 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 153.8 | 175 | 22.2 | -32.8 | 0 | 0 | 0 | 112.2 | R216 | P214-R216 VanDerWaalsContact CD-NH2 3.34Å; P214-R216 PolarHBondContact O-N 2.8Å; P214-R216 PolarHBondContact O-NE 2.95Å; P214-R216 VanDerWaalsContact O-NE 3.09Å |
| 215 | P | 97.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -49.6 | 128.6 | -177.3 | -28.3 | 34.1 | 0 | 0 | 0 | 113.4 | L186 N187 S239 | L186-P215 WeakPolarHBondContact O-CA 3.44Å; N187-P215 HydrophobicContact CB-CB 4.38Å; N187-P215 HydrophobicContact CB-CG 4.06Å; P215-S239 WeakPolarHBondContact O-CB 3.4Å; P215-S239 PolarHBondContact O-OG 3.17Å |
| 216 | R | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -154.6 | 153.8 | -171.4 | 64.4 | -177 | 66.7 | -145.9 | -1.2 | 113.7 | F168 G170 L186 P214 G236 M238 L243 D245 | F168-R216 HydrophobicContact CE1-CG 4.1Å; G170-R216 WeakPolarHBondContact CA-O 3.46Å; G170-R216 PolarHBondContact N-O 2.86Å; L186-R216 PolarHBondContact O-N 2.97Å; P214-R216 VanDerWaalsContact CD-NH2 3.34Å; P214-R216 PolarHBondContact O-N 2.8Å; P214-R216 PolarHBondContact O-NE 2.95Å; P214-R216 VanDerWaalsContact O-NE 3.09Å; R216-G236 PolarHBondContact NH1-O 2.85Å; R216-M238 VanDerWaalsContact CA-O 3.32Å; R216-M238 WeakPolarHBondContact CA-O 3.47Å; R216-L243 HydrophobicContact CB-CD1 3.85Å; R216-D245 IonicContact CZ-OD1 2.71Å; R216-D245 IonicContact CZ-OD2 2.84Å; R216-D245 IonicContact NH1-OD1 3.64Å; R216-D245 PolarHBondContact NH1-OD1 3.36Å; R216-D245 IonicContact NH1-OD2 3.42Å; R216-D245 PolarHBondContact NH1-OD2 2.81Å; R216-D245 IonicContact NH2-OD1 3.25Å; R216-D245 IonicContact NH2-OD2 2.68Å; R216-D245 PolarHBondContact NH2-OD2 2.83Å | ||
| 217 | E | 97.2 | Very high | 91.4 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -130.7 | 163.7 | 168.5 | 80.2 | 84.6 | -147.1 | 0 | 0 | 111.8 | L171 Y185 H219 G237 M238 | L171-E217 HydrophobicContact CB-CB 3.91Å; L171-E217 HydrophobicContact CB-CG 4.08Å; L171-E217 HydrophobicContact CD1-CG 4.2Å; Y185-E217 HydrophobicContact CD1-CB 4.22Å; Y185-E217 HydrophobicContact CD1-CG 3.89Å; Y185-E217 HydrophobicContact CE1-CG 3.75Å; E217-H219 PolarHBondContact O-N 2.83Å; E217-H219 VanDerWaalsContact O-N 3.17Å; E217-G237 CarbonylContact O-C 3.57Å; E217-G237 VanDerWaalsContact O-CA 3.24Å; E217-G237 WeakPolarHBondContact O-CA 3.5Å; E217-M238 HydrophobicContact CG-CG 4.2Å; E217-M238 PolarHBondContact N-O 2.78Å; E217-M238 PolarHBondContact O-N 3.12Å; E217-M238 VanDerWaalsContact OE1-CG 3.31Å; E217-M238 WeakPolarHBondContact OE1-CG 3.39Å |
| 218 | S | 96.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 53.6 | 32.9 | 178.8 | -73.5 | 0 | 0 | 0 | 0 | 115 | G154 S284 L285 | G154-S218 PolarHBondContact O-N 2.85Å; S218-S284 WeakPolarHBondContact O-CA 3.27Å; S218-L285 PolarHBondContact O-N 3.02Å; S218-L285 WeakPolarHBondContact OG-CD2 3.05Å |
| 219 | H | 97.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | trans | -78.4 | 172.3 | 164.7 | 59.5 | -79.6 | 0 | 0 | 0 | 111.7 | S156 F168 E217 I234 G236 | S156-H219 VanDerWaalsContact CB-NE2 3.28Å; S156-H219 WeakPolarHBondContact CB-NE2 3.37Å; S156-H219 PolarHBondContact N-NE2 2.89Å; S156-H219 PolarHBondContact OG-NE2 2.78Å; F168-H219 AromaticContact CD1-NE2 3.81Å; F168-H219 PolarHBondContact O-CE1 2.88Å; F168-H219 VanDerWaalsContact O-CE1 3.31Å; F168-H219 PolarHBondContact O-NE2 2.71Å; E217-H219 PolarHBondContact O-N 2.83Å; E217-H219 VanDerWaalsContact O-N 3.17Å; H219-I234 HydrophobicContact CB-CG2 4.48Å; H219-G236 VanDerWaalsContact CB-O 3.22Å; H219-G236 WeakPolarHBondContact CB-O 3.35Å | ||
| 220 | S | 97.1 | Very high | 90.5 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 152.2 | 163.8 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | I234 Y235 H286 A288 | S220-I234 WeakPolarHBondContact O-CA 3.29Å; S220-Y235 PolarHBondContact N-O 3.34Å; S220-Y235 VanDerWaalsContact N-O 3.08Å; S220-Y235 PolarHBondContact O-N 2.98Å; S220-H286 WeakPolarHBondContact CB-NE2 3.49Å; S220-H286 PolarHBondContact OG-CD2 2.92Å; S220-H286 PolarHBondContact OG-NE2 3.01Å; S220-A288 VanDerWaalsContact CB-CB 3.43Å; S220-A288 PolarHBondContact OG-N 2.92Å |
| 221 | A | 97.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S156 L232 I233 I234 | S156-A221 VanDerWaalsContact CB-CB 3.46Å; A221-L232 HydrophobicContact CB-CD1 4.09Å; A221-I233 CarbonylContact C-O 3.56Å; A221-I233 WeakPolarHBondContact CA-O 3.49Å; A221-I234 HydrophobicContact CB-CG1 3.89Å |
| 222 | C | 95.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 146.5 | -177.6 | -74.7 | 0 | 0 | 0 | 0 | 110.8 | I233 I290 | C222-I233 PolarHBondContact N-O 2.78Å; C222-I233 PolarHBondContact O-N 2.86Å; C222-I290 HydrophobicContact CB-CD1 3.56Å; C222-I290 HydrophobicContact CB-CG1 3.86Å |
| 223 | F | 94.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 26% | 0.263 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.1 | 173.7 | 165.4 | -124.7 | 0 | 0 | 0 | 110.4 | T158 V160 N161 D225 P230 I290 | T158-F223 HydrophobicContact CG2-CB 4.07Å; V160-F223 HydrophobicContact CB-CD2 4.28Å; V160-F223 HydrophobicContact CB-CG 4.44Å; V160-F223 HydrophobicContact CG1-CD2 3.88Å; V160-F223 HydrophobicContact CG1-CE2 3.88Å; V160-F223 HydrophobicContact CG1-CG 4.48Å; V160-F223 HydrophobicContact CG1-CZ 4.43Å; V160-F223 HydrophobicContact CG2-CB 4.22Å; V160-F223 HydrophobicContact CG2-CD2 4.04Å; V160-F223 HydrophobicContact CG2-CG 4.18Å; N161-F223 WeakPolarHBondContact OD1-CZ 3.35Å; F223-D225 HydrophobicContact CE2-CB 4.27Å; F223-D225 HydrophobicContact CZ-CB 3.97Å; F223-P230 HydrophobicContact CE2-CB 3.57Å; F223-P230 HydrophobicContact CZ-CB 4.25Å; F223-I290 WeakPolarHBondContact O-CD1 3.01Å |
| 224 | F | 93.2 | Very high | 91.5 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149 | 174.6 | -170.9 | -131.4 | 0 | 0 | 0 | 110.4 | P226 Q231 I233 I290 N293 L329 | F224-P226 HydrophobicContact CD1-CB 4.32Å; F224-P226 HydrophobicContact CD1-CG 4.09Å; F224-P226 HydrophobicContact CE1-CB 3.82Å; F224-P226 HydrophobicContact CE1-CG 4.09Å; F224-P226 HydrophobicContact CZ-CB 4.43Å; F224-Q231 PolarHBondContact N-O 2.98Å; F224-Q231 PolarHBondContact O-N 2.91Å; F224-I233 HydrophobicContact CB-CD1 3.91Å; F224-I233 HydrophobicContact CD1-CD1 4.48Å; F224-I290 HydrophobicContact CB-CD1 3.92Å; F224-I290 HydrophobicContact CD2-CD1 4.44Å; F224-I290 HydrophobicContact CD2-CG2 4.49Å; F224-I290 HydrophobicContact CG-CD1 4.45Å; F224-N293 HydrophobicContact CZ-CB 4.41Å; F224-L329 HydrophobicContact CB-CD1 4.16Å; F224-L329 HydrophobicContact CD1-CB 3.64Å; F224-L329 HydrophobicContact CD1-CD1 3.83Å; F224-L329 HydrophobicContact CD1-CG 4.35Å; F224-L329 HydrophobicContact CD2-CD1 3.75Å; F224-L329 HydrophobicContact CE1-CB 3.33Å; F224-L329 HydrophobicContact CE1-CD1 4.16Å; F224-L329 HydrophobicContact CE1-CG 4.4Å; F224-L329 HydrophobicContact CE2-CB 4.37Å; F224-L329 HydrophobicContact CE2-CD1 4.09Å; F224-L329 HydrophobicContact CG-CB 4.32Å; F224-L329 HydrophobicContact CG-CD1 3.65Å; F224-L329 HydrophobicContact CZ-CB 3.75Å; F224-L329 HydrophobicContact CZ-CD1 4.29Å |
| 225 | D | 88.6 | Confident | 91.6 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 39% | 0.39 | 19% | 0.186 | S | C | . | . | trans | -131.8 | 83.7 | 176.9 | -175.8 | 3.5 | 0 | 0 | 0 | 110.8 | F223 G227 G228 K229 | F223-D225 HydrophobicContact CE2-CB 4.27Å; F223-D225 HydrophobicContact CZ-CB 3.97Å; D225-G227 PolarHBondContact O-N 3.04Å; D225-G228 VanDerWaalsContact OD1-C 3.32Å; D225-G228 WeakPolarHBondContact OD1-CA 3.41Å; D225-G228 PolarHBondContact OD1-N 2.79Å; D225-K229 PolarHBondContact OD1-N 2.96Å | ||
| 226 | P | 79.7 | Confident | 91.5 | Very high | 54 Ų | 54 | 27.1 Ų | 27.1 | 35% | 0.351 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -70.3 | 74.8 | 171.7 | 28.7 | -36.2 | 0 | 0 | 0 | 112 | F224 K229 | F224-P226 HydrophobicContact CD1-CB 4.32Å; F224-P226 HydrophobicContact CD1-CG 4.09Å; F224-P226 HydrophobicContact CE1-CB 3.82Å; F224-P226 HydrophobicContact CE1-CG 4.09Å; F224-P226 HydrophobicContact CZ-CB 4.43Å; P226-K229 WeakPolarHBondContact CD-O 3.47Å; P226-K229 HydrophobicContact CG-CB 4.4Å |
| 227 | G | 69.8 | Low | 91.5 | Very high | 82 Ų | 82 | 27.1 Ų | 27.1 | 85% | 0.845 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 82.8 | 32.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D225 | D225-G227 PolarHBondContact O-N 3.04Š|
| 228 | G | 73.3 | Confident | 91.4 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 51% | 0.505 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 98.9 | 15.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D225 | D225-G228 VanDerWaalsContact OD1-C 3.32Å; D225-G228 WeakPolarHBondContact OD1-CA 3.41Å; D225-G228 PolarHBondContact OD1-N 2.79Å |
| 229 | K | 80.9 | Confident | 91.2 | Very high | 119 Ų | 119 | 29.1 Ų | 29.1 | 52% | 0.517 | 19% | 0.186 | S | C | . | . | trans | -119.1 | 82 | 177.2 | -79.6 | -164.9 | 161.7 | -138.9 | 0 | 109 | D225 P226 Q231 | D225-K229 PolarHBondContact OD1-N 2.96Å; P226-K229 WeakPolarHBondContact CD-O 3.47Å; P226-K229 HydrophobicContact CG-CB 4.4Å; K229-Q231 PolarHBondContact O-N 3.35Å | ||
| 230 | P | 88.6 | Confident | 90.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | trans | -65.4 | 135.7 | -176.9 | 28.9 | -35.3 | 0 | 0 | 0 | 111.1 | V160 F223 I251 V253 | V160-P230 HydrophobicContact CG1-CB 4.49Å; F223-P230 HydrophobicContact CE2-CB 3.57Å; F223-P230 HydrophobicContact CZ-CB 4.25Å; P230-I251 HydrophobicContact CB-CB 4.37Å; P230-I251 HydrophobicContact CG-CB 4.12Å; P230-I251 HydrophobicContact CG-CG2 4.17Å; P230-I251 WeakPolarHBondContact CG-O 3.39Å; P230-I251 WeakPolarHBondContact O-CB 3.33Å; P230-I251 PolarHBondContact O-N 3.5Å; P230-V253 HydrophobicContact CG-CG2 3.43Å; P230-V253 VanDerWaalsContact CG-CG2 3.43Å | ||
| 231 | Q | 91.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.6 | -176.7 | -76.2 | 175.5 | -15 | 0 | 0 | 110 | F224 K229 I248 L249 E250 | F224-Q231 PolarHBondContact N-O 2.98Å; F224-Q231 PolarHBondContact O-N 2.91Å; K229-Q231 PolarHBondContact O-N 3.35Å; Q231-I248 HydrophobicContact CB-CG2 3.94Å; Q231-I248 HydrophobicContact CG-CG2 3.78Å; Q231-L249 WeakPolarHBondContact CA-O 3.2Å; Q231-E250 HydrophobicContact CG-CG 4.42Å; Q231-E250 PolarHBondContact NE2-OE1 2.94Å |
| 232 | L | 94.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.2 | 167.2 | 173.5 | 68.7 | 0 | 0 | 0 | 108.3 | T158 Y166 A221 I248 L249 I251 W270 | T158-L232 HydrophobicContact CG2-CD1 3.73Å; Y166-L232 HydrophobicContact CD1-CD2 4.14Å; Y166-L232 HydrophobicContact CG-CD2 4.15Å; A221-L232 HydrophobicContact CB-CD1 4.09Å; L232-I248 WeakPolarHBondContact O-CA 3.33Å; L232-L249 HydrophobicContact CB-CB 4.27Å; L232-L249 HydrophobicContact CD2-CD2 4.4Å; L232-L249 PolarHBondContact N-O 3.13Å; L232-L249 PolarHBondContact O-N 3.34Å; L232-I251 HydrophobicContact CB-CD1 3.79Å; L232-W270 HydrophobicContact CD2-CH2 4.47Å |
| 233 | I | 95.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.8 | -177.5 | -52.2 | -177.5 | 0 | 0 | 0 | 108.4 | A221 C222 F224 L246 W247 I248 M295 L329 | A221-I233 CarbonylContact C-O 3.56Å; A221-I233 WeakPolarHBondContact CA-O 3.49Å; C222-I233 PolarHBondContact N-O 2.78Å; C222-I233 PolarHBondContact O-N 2.86Å; F224-I233 HydrophobicContact CB-CD1 3.91Å; F224-I233 HydrophobicContact CD1-CD1 4.48Å; I233-L246 HydrophobicContact CG2-CD1 3.96Å; I233-L246 HydrophobicContact CG2-CD2 4.05Å; I233-L246 HydrophobicContact CG2-CG 4Å; I233-W247 CarbonylContact C-O 3.52Å; I233-W247 WeakPolarHBondContact CA-O 3.02Å; I233-I248 HydrophobicContact CG1-CG1 4.31Å; I233-M295 HydrophobicContact CG2-SD 4.48Å; I233-L329 HydrophobicContact CD1-CD1 4.24Å; I233-L329 HydrophobicContact CD1-CD2 3.84Å |
| 234 | I | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.9 | 174.9 | -66.1 | -166.9 | 0 | 0 | 0 | 109.6 | F168 H219 S220 A221 L246 W247 W270 | F168-I234 HydrophobicContact CB-CD1 3.95Å; F168-I234 HydrophobicContact CD1-CD1 3.32Å; F168-I234 HydrophobicContact CD2-CD1 4.36Å; F168-I234 HydrophobicContact CE1-CD1 3.88Å; F168-I234 HydrophobicContact CG-CD1 3.6Å; H219-I234 HydrophobicContact CB-CG2 4.48Å; S220-I234 WeakPolarHBondContact O-CA 3.29Å; A221-I234 HydrophobicContact CB-CG1 3.89Å; I234-L246 WeakPolarHBondContact O-CA 3.4Å; I234-W247 HydrophobicContact CB-CB 4.4Å; I234-W247 PolarHBondContact N-O 2.77Å; I234-W247 PolarHBondContact O-N 2.89Å; I234-W270 HydrophobicContact CD1-CH2 3.58Å; I234-W270 HydrophobicContact CD1-CZ3 4.1Å; I234-W270 HydrophobicContact CG1-CH2 4.18Å; I234-W270 HydrophobicContact CG1-CZ3 4.31Å |
| 235 | Y | 97.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.6 | 178.5 | -177 | -103.5 | 0 | 0 | 0 | 113.1 | S220 G244 D245 L246 P280 R283 H286 M295 V297 W334 | S220-Y235 PolarHBondContact N-O 3.34Å; S220-Y235 VanDerWaalsContact N-O 3.08Å; S220-Y235 PolarHBondContact O-N 2.98Å; Y235-G244 WeakPolarHBondContact CE2-O 3.44Å; Y235-D245 WeakPolarHBondContact CD2-O 3.47Å; Y235-L246 HydrophobicContact CD2-CB 4.11Å; Y235-L246 HydrophobicContact CD2-CD1 4.24Å; Y235-P280 WeakPolarHBondContact OH-CG 3.47Å; Y235-P280 PolarHBondContact OH-O 3.29Å; Y235-R283 HydrophobicContact CE1-CG 4.29Å; Y235-H286 AromaticContact CD1-NE2 3.66Å; Y235-H286 PolarHBondContact O-CE1 2.67Å; Y235-H286 VanDerWaalsContact O-CE1 3.23Å; Y235-H286 PolarHBondContact O-NE2 2.88Å; Y235-M295 HydrophobicContact CG-CE 4.44Å; Y235-V297 HydrophobicContact CD1-CG1 4.23Å; Y235-V297 HydrophobicContact CD1-CG2 4.13Å; Y235-V297 HydrophobicContact CE1-CG1 3.99Å; Y235-V297 HydrophobicContact CE1-CG2 4.42Å; Y235-W334 HydrophobicContact CD2-CZ2 4.3Å; Y235-W334 HydrophobicContact CE1-CH2 4.49Å; Y235-W334 HydrophobicContact CE2-CH2 4.18Å; Y235-W334 AromaticContact CE2-CZ2 3.75Å; Y235-W334 HydrophobicContact CE2-CZ2 3.75Å |
| 236 | G | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | -147.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R216 H219 L243 D245 | R216-G236 PolarHBondContact NH1-O 2.85Å; H219-G236 VanDerWaalsContact CB-O 3.22Å; H219-G236 WeakPolarHBondContact CB-O 3.35Å; G236-L243 VanDerWaalsContact CA-O 3.26Å; G236-L243 WeakPolarHBondContact CA-O 2.93Å; G236-D245 PolarHBondContact N-O 3.14Å |
| 237 | G | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | -158.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E217 L243 R283 | E217-G237 CarbonylContact O-C 3.57Å; E217-G237 VanDerWaalsContact O-CA 3.24Å; E217-G237 WeakPolarHBondContact O-CA 3.5Å; G237-L243 PolarHBondContact O-N 3.05Å; G237-R283 PolarHBondContact N-O 2.87Å; G237-R283 CarbonylContact O-C 3.49Å |
| 238 | M | 95.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 27 Ų | 27 | 14% | 0.138 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.9 | 169.2 | 56 | -179.6 | -87 | 0 | 0 | 113.9 | Y185 R216 E217 H241 S284 | Y185-M238 VanDerWaalsContact CD1-O 3.29Å; Y185-M238 WeakPolarHBondContact CD1-O 3.43Å; Y185-M238 HydrophobicContact CE1-CE 4.46Å; Y185-M238 HydrophobicContact CE1-CG 4.48Å; Y185-M238 WeakPolarHBondContact CE1-O 3.35Å; Y185-M238 WeakPolarHBondContact OH-CE 3.45Å; R216-M238 VanDerWaalsContact CA-O 3.32Å; R216-M238 WeakPolarHBondContact CA-O 3.47Å; E217-M238 HydrophobicContact CG-CG 4.2Å; E217-M238 PolarHBondContact N-O 2.78Å; E217-M238 PolarHBondContact O-N 3.12Å; E217-M238 VanDerWaalsContact OE1-CG 3.31Å; E217-M238 WeakPolarHBondContact OE1-CG 3.39Å; M238-H241 CarbonylContact C-O 3.6Å; M238-H241 WeakPolarHBondContact CA-O 3.44Å; M238-H241 WeakPolarHBondContact CB-O 3.25Å; M238-S284 PolarHBondContact SD-OG 2.88Å |
| 239 | S | 93.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -145.7 | 74.4 | 176.6 | -159 | 0 | 0 | 0 | 0 | 108.4 | P215 H241 | P215-S239 WeakPolarHBondContact O-CB 3.4Å; P215-S239 PolarHBondContact O-OG 3.17Å; S239-H241 PolarHBondContact N-O 2.91Å; S239-H241 PolarHBondContact O-N 2.91Å; S239-H241 PolarHBondContact O-ND1 2.89Å |
| 240 | G | 88.1 | Confident | 94.2 | Very high | 47 Ų | 47 | 22 Ų | 22 | 49% | 0.485 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 71.2 | -44.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y185 | Y185-G240 PolarHBondContact OH-N 3.49Å; Y185-G240 VanDerWaalsContact OH-N 3.1Å |
| 241 | H | 90.5 | Very high | 94.2 | Very high | 108 Ų | 108 | 22.6 Ų | 22.6 | 50% | 0.5 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -112.5 | 163.4 | 172.8 | 67.1 | -70.2 | 0 | 0 | 0 | 110.8 | M238 S239 L243 | M238-H241 CarbonylContact C-O 3.6Å; M238-H241 WeakPolarHBondContact CA-O 3.44Å; M238-H241 WeakPolarHBondContact CB-O 3.25Å; S239-H241 PolarHBondContact N-O 2.91Å; S239-H241 PolarHBondContact O-N 2.91Å; S239-H241 PolarHBondContact O-ND1 2.89Å; H241-L243 WeakPolarHBondContact NE2-CD2 3.35Å |
| 242 | R | 94.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 140.4 | -179.8 | -80.9 | 55.8 | 170.5 | -175 | -9.8 | 110 | P282 W318 | R242-P282 HydrophobicContact CB-CB 4.08Å; R242-P282 WeakPolarHBondContact O-CB 3.39Å; R242-W318 VanDerWaalsContact CZ-CE3 3.43Å; R242-W318 VanDerWaalsContact NH1-CD2 3.29Å; R242-W318 VanDerWaalsContact NH1-CE2 3.31Å; R242-W318 VanDerWaalsContact NH1-CZ2 3.25Å |
| 243 | L | 95.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145 | -177.2 | -57.4 | 175 | 0 | 0 | 0 | 110.9 | R216 G236 G237 H241 D245 P282 R283 | R216-L243 HydrophobicContact CB-CD1 3.85Å; G236-L243 VanDerWaalsContact CA-O 3.26Å; G236-L243 WeakPolarHBondContact CA-O 2.93Å; G237-L243 PolarHBondContact O-N 3.05Å; H241-L243 WeakPolarHBondContact NE2-CD2 3.35Å; L243-D245 WeakPolarHBondContact CB-OD1 3.35Å; L243-P282 CarbonylContact O-C 3.57Å; L243-P282 WeakPolarHBondContact O-CA 3.48Å; L243-R283 PolarHBondContact O-N 3.08Å |
| 244 | G | 93.9 | Very high | 88.8 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 16.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y235 | Y235-G244 WeakPolarHBondContact CE2-O 3.44Å |
| 245 | D | 95.3 | Very high | 85.8 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 161.4 | -179.4 | 59 | -16.7 | 0 | 0 | 0 | 112.2 | R216 Y235 G236 L243 W247 | R216-D245 IonicContact CZ-OD1 2.71Å; R216-D245 IonicContact CZ-OD2 2.84Å; R216-D245 IonicContact NH1-OD1 3.64Å; R216-D245 PolarHBondContact NH1-OD1 3.36Å; R216-D245 IonicContact NH1-OD2 3.42Å; R216-D245 PolarHBondContact NH1-OD2 2.81Å; R216-D245 IonicContact NH2-OD1 3.25Å; R216-D245 IonicContact NH2-OD2 2.68Å; R216-D245 PolarHBondContact NH2-OD2 2.83Å; Y235-D245 WeakPolarHBondContact CD2-O 3.47Å; G236-D245 PolarHBondContact N-O 3.14Å; L243-D245 WeakPolarHBondContact CB-OD1 3.35Å; D245-W247 PolarHBondContact OD2-NE1 3.03Å |
| 246 | L | 96 | Very high | 82.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.1 | 174.2 | -170.5 | 144 | 0 | 0 | 0 | 109.9 | I233 I234 Y235 I248 S272 P273 I275 M295 L327 | I233-L246 HydrophobicContact CG2-CD1 3.96Å; I233-L246 HydrophobicContact CG2-CD2 4.05Å; I233-L246 HydrophobicContact CG2-CG 4Å; I234-L246 WeakPolarHBondContact O-CA 3.4Å; Y235-L246 HydrophobicContact CD2-CB 4.11Å; Y235-L246 HydrophobicContact CD2-CD1 4.24Å; L246-I248 HydrophobicContact CD2-CD1 4.23Å; L246-I248 HydrophobicContact CD2-CG1 3.81Å; L246-S272 WeakPolarHBondContact O-CB 3.15Å; L246-S272 PolarHBondContact O-OG 2.88Å; L246-P273 HydrophobicContact CD2-CG 3.54Å; L246-I275 HydrophobicContact CB-CD1 3.55Å; L246-M295 HydrophobicContact CD1-CE 4.13Å; L246-L327 HydrophobicContact CD1-CD2 3.34Å |
| 247 | W | 96.9 | Very high | 79.8 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.1 | 177.1 | -64.4 | 83.2 | 0 | 0 | 0 | 109.8 | N211 P213 I233 I234 D245 W270 | N211-W247 HydrophobicContact CB-CZ3 4.49Å; N211-W247 WeakPolarHBondContact O-CZ3 3.36Å; P213-W247 HydrophobicContact CB-CB 4.45Å; P213-W247 HydrophobicContact CB-CD2 3.88Å; P213-W247 HydrophobicContact CB-CG 3.79Å; P213-W247 HydrophobicContact CG-CB 3.81Å; P213-W247 HydrophobicContact CG-CD2 3.87Å; P213-W247 HydrophobicContact CG-CE3 4.26Å; P213-W247 HydrophobicContact CG-CG 3.64Å; I233-W247 CarbonylContact C-O 3.52Å; I233-W247 WeakPolarHBondContact CA-O 3.02Å; I234-W247 HydrophobicContact CB-CB 4.4Å; I234-W247 PolarHBondContact N-O 2.77Å; I234-W247 PolarHBondContact O-N 2.89Å; D245-W247 PolarHBondContact OD2-NE1 3.03Å; W247-W270 HydrophobicContact CB-CE3 4.18Å; W247-W270 HydrophobicContact CB-CZ3 4.13Å |
| 248 | I | 95.2 | Very high | 76.8 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.1 | 173.5 | -62 | -175.9 | 0 | 0 | 0 | 107.7 | Q231 L232 I233 L246 E250 W270 H271 P273 L332 | Q231-I248 HydrophobicContact CB-CG2 3.94Å; Q231-I248 HydrophobicContact CG-CG2 3.78Å; L232-I248 WeakPolarHBondContact O-CA 3.33Å; I233-I248 HydrophobicContact CG1-CG1 4.31Å; L246-I248 HydrophobicContact CD2-CD1 4.23Å; L246-I248 HydrophobicContact CD2-CG1 3.81Å; I248-E250 HydrophobicContact CG2-CG 4.35Å; I248-W270 WeakPolarHBondContact O-CA 3.29Å; I248-H271 PolarHBondContact N-O 2.87Å; I248-H271 PolarHBondContact O-N 3.33Å; I248-P273 HydrophobicContact CD1-CG 3.89Å; I248-P273 HydrophobicContact CG1-CG 4.13Å; I248-L332 HydrophobicContact CD1-CD1 4.22Å; I248-L332 HydrophobicContact CD1-CD2 4.34Å |
| 249 | L | 94.7 | Very high | 73.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.9 | 160.5 | 178.8 | 63.7 | 0 | 0 | 0 | 107.6 | Y166 L189 V208 Q231 L232 I251 M268 T269 W270 | Y166-L249 HydrophobicContact CD1-CD2 4.42Å; Y166-L249 HydrophobicContact CE1-CD2 4.3Å; L189-L249 HydrophobicContact CD2-CD2 3.74Å; V208-L249 HydrophobicContact CG1-CD1 4.19Å; Q231-L249 WeakPolarHBondContact CA-O 3.2Å; L232-L249 HydrophobicContact CB-CB 4.27Å; L232-L249 HydrophobicContact CD2-CD2 4.4Å; L232-L249 PolarHBondContact N-O 3.13Å; L232-L249 PolarHBondContact O-N 3.34Å; L249-I251 HydrophobicContact CD2-CG1 4.35Å; L249-I251 HydrophobicContact CG-CG1 4.19Å; L249-M268 HydrophobicContact CD1-CB 4.08Å; L249-T269 WeakPolarHBondContact CA-O 3.15Å; L249-W270 HydrophobicContact CB-CD2 3.89Å; L249-W270 HydrophobicContact CB-CE3 3.71Å; L249-W270 HydrophobicContact CB-CH2 3.8Å; L249-W270 HydrophobicContact CB-CZ2 4Å; L249-W270 HydrophobicContact CB-CZ3 3.67Å; L249-W270 HydrophobicContact CD1-CD2 3.96Å; L249-W270 HydrophobicContact CD1-CG 4Å; L249-W270 HydrophobicContact CD2-CH2 4.37Å; L249-W270 HydrophobicContact CD2-CZ2 3.92Å; L249-W270 HydrophobicContact CG-CD2 4.42Å; L249-W270 HydrophobicContact CG-CZ2 4.38Å |
| 250 | E | 90.2 | Very high | 70.7 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.7 | 168.6 | -58.4 | -142.9 | 115.7 | 0 | 0 | 109 | Q231 I248 M268 T269 | Q231-E250 HydrophobicContact CG-CG 4.42Å; Q231-E250 PolarHBondContact NE2-OE1 2.94Å; I248-E250 HydrophobicContact CG2-CG 4.35Å; E250-M268 WeakPolarHBondContact O-CA 3.3Å; E250-T269 PolarHBondContact N-O 2.92Å; E250-T269 VanDerWaalsContact N-O 3.11Å; E250-T269 PolarHBondContact O-N 2.62Å |
| 251 | I | 86.5 | Confident | 67.9 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | trans | -109.8 | 133.7 | -172.2 | -69.9 | 173.2 | 0 | 0 | 0 | 110.5 | V160 Y166 P230 L232 L249 V253 M268 | V160-I251 HydrophobicContact CG1-CD1 3.95Å; V160-I251 HydrophobicContact CG1-CG2 4.41Å; V160-I251 HydrophobicContact CG2-CD1 3.96Å; Y166-I251 HydrophobicContact CD1-CD1 4.45Å; Y166-I251 HydrophobicContact CD2-CD1 4.48Å; Y166-I251 HydrophobicContact CE1-CD1 3.93Å; Y166-I251 HydrophobicContact CE1-CG1 4.37Å; Y166-I251 HydrophobicContact CE2-CD1 3.98Å; Y166-I251 WeakPolarHBondContact OH-CG2 3.44Å; P230-I251 HydrophobicContact CB-CB 4.37Å; P230-I251 HydrophobicContact CG-CB 4.12Å; P230-I251 HydrophobicContact CG-CG2 4.17Å; P230-I251 WeakPolarHBondContact CG-O 3.39Å; P230-I251 WeakPolarHBondContact O-CB 3.33Å; P230-I251 PolarHBondContact O-N 3.5Å; L232-I251 HydrophobicContact CB-CD1 3.79Å; L249-I251 HydrophobicContact CD2-CG1 4.35Å; L249-I251 HydrophobicContact CG-CG1 4.19Å; I251-V253 PolarHBondContact O-N 2.9Å; I251-M268 HydrophobicContact CG2-CE 4.45Å | ||
| 252 | I | 69.6 | Low | 65.1 | Low | 49 Ų | 49 | 70 Ų | 70 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | trans | -71.3 | 117.1 | 179.3 | -51.4 | 179.9 | 0 | 0 | 0 | 109.9 | Y254 D266 M268 | I252-Y254 HydrophobicContact CB-CE2 4.25Å; I252-Y254 HydrophobicContact CG2-CD1 4.38Å; I252-Y254 HydrophobicContact CG2-CD2 4.12Å; I252-Y254 HydrophobicContact CG2-CE1 4.29Å; I252-Y254 HydrophobicContact CG2-CE2 4.02Å; I252-Y254 HydrophobicContact CG2-CG 4.3Å; I252-Y254 PolarHBondContact O-N 2.58Å; I252-D266 WeakPolarHBondContact CD1-O 3.47Å; I252-D266 WeakPolarHBondContact CG1-O 3.25Å; I252-M268 HydrophobicContact CD1-CG 4.27Å; I252-M268 HydrophobicContact CG1-CG 4.03Å | ||
| 253 | V | 54.4 | Low | 61.8 | Low | 76 Ų | 76 | 76.8 Ų | 76.8 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | trans | -78 | 102.5 | 159.6 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | P230 I251 S255 | P230-V253 HydrophobicContact CG-CG2 3.43Å; P230-V253 VanDerWaalsContact CG-CG2 3.43Å; I251-V253 PolarHBondContact O-N 2.9Å; V253-S255 PolarHBondContact O-N 2.8Å | ||
| 254 | Y | 46.1 | Very low | 58.7 | Low | 187 Ų | 187 | 79.9 Ų | 79.9 | 73% | 0.733 | 41% | 0.411 | S | S | * | . | trans | -68.1 | 74.8 | 163.2 | -75 | -74.8 | 0 | 0 | 0 | 109.9 | I252 L256 | I252-Y254 HydrophobicContact CB-CE2 4.25Å; I252-Y254 HydrophobicContact CG2-CD1 4.38Å; I252-Y254 HydrophobicContact CG2-CD2 4.12Å; I252-Y254 HydrophobicContact CG2-CE1 4.29Å; I252-Y254 HydrophobicContact CG2-CE2 4.02Å; I252-Y254 HydrophobicContact CG2-CG 4.3Å; I252-Y254 PolarHBondContact O-N 2.58Å; Y254-L256 PolarHBondContact O-N 3.02Å | ||
| 255 | S | 34.6 | Very low | 55.7 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | trans | -68.2 | 110.2 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | V253 L257 V258 | V253-S255 PolarHBondContact O-N 2.8Å; S255-L257 PolarHBondContact O-N 3.21Å; S255-L257 PolarHBondContact OG-N 2.82Å; S255-V258 PolarHBondContact O-N 2.84Å; S255-V258 VanDerWaalsContact O-N 3.1Å | ||
| 256 | L | 34.7 | Very low | 53.4 | Low | 138 Ų | 138 | 89 Ų | 89 | 72% | 0.723 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 11.1 | 173.8 | -71.6 | 163.6 | 0 | 0 | 0 | 113.5 | Y254 R790 | Y254-L256 PolarHBondContact O-N 3.02Å; L256-R790 PolarHBondContact O-NH2 2.88Å |
| 257 | L | 33.5 | Very low | 51.5 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 3.1 | 178.6 | -66.4 | 170.5 | 0 | 0 | 0 | 113.4 | S255 | S255-L257 PolarHBondContact O-N 3.21Å; S255-L257 PolarHBondContact OG-N 2.82Å |
| 258 | V | 34.1 | Very low | 50.9 | Low | 112 Ų | 112 | 90.1 Ų | 90.1 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | trans | -121.6 | 137.7 | 175 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | S255 | S255-V258 PolarHBondContact O-N 2.84Å; S255-V258 VanDerWaalsContact O-N 3.1Å | ||
| 259 | L | 30.7 | Very low | 50.6 | Low | 57 Ų | 57 | 92.1 Ų | 92.1 | 30% | 0.298 | 47% | 0.473 | S | S | . | . | trans | -106.5 | 144.7 | -172.5 | -70.8 | 149.6 | 0 | 0 | 0 | 111.7 | Y261 R790 G792 | L259-Y261 PolarHBondContact O-N 2.93Å; L259-R790 HydrophobicContact CD1-CB 4.18Å; L259-R790 HydrophobicContact CD1-CG 4.29Å; L259-R790 HydrophobicContact CD2-CB 3.61Å; L259-R790 HydrophobicContact CD2-CG 3.85Å; L259-R790 HydrophobicContact CG-CB 4.48Å; L259-R790 HydrophobicContact CG-CG 4.48Å; L259-G792 WeakPolarHBondContact CD1-O 3.46Å | ||
| 260 | P | 29.3 | Very low | 50.5 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 80% | 0.799 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -81.3 | 81.2 | -170.5 | 33.3 | -36.4 | 0 | 0 | 0 | 112.1 | ||
| 261 | Y | 29.2 | Very low | 50.6 | Low | 148 Ų | 148 | 92.5 Ų | 92.5 | 58% | 0.58 | 48% | 0.475 | S | S | * | . | trans | -151.1 | 79.2 | 155.5 | -150.6 | -97.1 | 0 | 0 | 0 | 114.1 | L259 | L259-Y261 PolarHBondContact O-N 2.93Š| ||
| 262 | K | 31.5 | Very low | 51 | Low | 201 Ų | 201 | 94.9 Ų | 94.9 | 87% | 0.874 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -141.1 | 129.3 | 146.8 | -145.8 | 177.6 | -172.7 | -176.1 | 0 | 107.1 | S264 | K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 2.89Å |
| 263 | Q | 26.4 | Very low | 52 | Low | 174 Ų | 174 | 93.4 Ų | 93.4 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -76.1 | 79.9 | -173.1 | -74.1 | 172 | -52.9 | 0 | 0 | 111.6 | ||
| 264 | S | 29.5 | Very low | 53.7 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | trans | -135.5 | 124.2 | 149.4 | -175.2 | 0 | 0 | 0 | 0 | 104.8 | K262 D266 | K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 2.89Å; S264-D266 WeakPolarHBondContact CB-OD1 3.42Å; S264-D266 PolarHBondContact O-N 3.14Å; S264-D266 PolarHBondContact OG-OD1 3.38Å | ||
| 265 | I | 32.1 | Very low | 55.9 | Low | 141 Ų | 141 | 93.5 Ų | 93.5 | 72% | 0.723 | 49% | 0.487 | S | S | * | . | trans | -83.2 | 77.2 | 178.5 | -41.2 | -178.3 | 0 | 0 | 0 | 106.6 | N267 | I265-N267 VanDerWaalsContact CG2-ND2 3.3Å; I265-N267 WeakPolarHBondContact CG2-ND2 3.44Å; I265-N267 WeakPolarHBondContact CG2-OD1 3.48Å; I265-N267 PolarHBondContact O-N 2.88Å; I265-N267 PolarHBondContact O-ND2 2.81Å | ||
| 266 | D | 46 | Very low | 58.5 | Low | 114 Ų | 114 | 92.2 Ų | 92.2 | 61% | 0.61 | 48% | 0.481 | S | S | * | . | trans | -70.1 | 69 | -179.6 | -72.1 | 6 | 0 | 0 | 0 | 109.6 | I252 S264 | I252-D266 WeakPolarHBondContact CD1-O 3.47Å; I252-D266 WeakPolarHBondContact CG1-O 3.25Å; S264-D266 WeakPolarHBondContact CB-OD1 3.42Å; S264-D266 PolarHBondContact O-N 3.14Å; S264-D266 PolarHBondContact OG-OD1 3.38Å | ||
| 267 | N | 55.8 | Low | 61 | Low | 35 Ų | 35 | 87.4 Ų | 87.4 | 19% | 0.187 | 47% | 0.465 | C | S | . | . | trans | -73.2 | 167.7 | 177.1 | -71.2 | -45.2 | 0 | 0 | 0 | 111.4 | Y209 I265 T269 | Y209-N267 HydrophobicContact CD1-CB 4.45Å; Y209-N267 WeakPolarHBondContact CD1-ND2 3.48Å; Y209-N267 HydrophobicContact CD2-CB 3.28Å; Y209-N267 VanDerWaalsContact CD2-CG 3.47Å; Y209-N267 VanDerWaalsContact CE1-ND2 3.35Å; Y209-N267 WeakPolarHBondContact CE1-ND2 3.43Å; Y209-N267 HydrophobicContact CE2-CB 3.61Å; Y209-N267 WeakPolarHBondContact CE2-ND2 3.32Å; Y209-N267 HydrophobicContact CG-CB 3.73Å; Y209-N267 VanDerWaalsContact CZ-ND2 3.33Å; I265-N267 VanDerWaalsContact CG2-ND2 3.3Å; I265-N267 WeakPolarHBondContact CG2-ND2 3.44Å; I265-N267 WeakPolarHBondContact CG2-OD1 3.48Å; I265-N267 PolarHBondContact O-N 2.88Å; I265-N267 PolarHBondContact O-ND2 2.81Å; N267-T269 VanDerWaalsContact C-N 3.32Å; N267-T269 PolarHBondContact O-N 2.91Å; N267-T269 PolarHBondContact O-OG1 2.87Å | ||
| 268 | M | 83.8 | Confident | 63.6 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 13% | 0.128 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 93 | 164.9 | -72.4 | -164.8 | -177.6 | 0 | 0 | 110 | Y166 P206 V208 Y209 L249 E250 I251 I252 | Y166-M268 HydrophobicContact CE1-SD 4.38Å; Y166-M268 VanDerWaalsContact OH-CE 3.28Å; Y166-M268 WeakPolarHBondContact OH-CE 3.42Å; P206-M268 HydrophobicContact CB-SD 3.82Å; V208-M268 CarbonylContact C-O 3.51Å; V208-M268 VanDerWaalsContact CA-O 3.25Å; V208-M268 WeakPolarHBondContact CA-O 3.35Å; V208-M268 HydrophobicContact CG1-CB 4.03Å; Y209-M268 PolarHBondContact N-O 3.34Å; L249-M268 HydrophobicContact CD1-CB 4.08Å; E250-M268 WeakPolarHBondContact O-CA 3.3Å; I251-M268 HydrophobicContact CG2-CE 4.45Å; I252-M268 HydrophobicContact CD1-CG 4.27Å; I252-M268 HydrophobicContact CG1-CG 4.03Å |
| 269 | T | 88.9 | Confident | 66.3 | Low | 45 Ų | 45 | 88.1 Ų | 88.1 | 28% | 0.276 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.1 | -164.8 | -55 | 0 | 0 | 0 | 0 | 111.1 | Y209 L249 E250 N267 | Y209-T269 CarbonylContact O-C 3.55Å; Y209-T269 WeakPolarHBondContact O-CA 2.94Å; L249-T269 WeakPolarHBondContact CA-O 3.15Å; E250-T269 PolarHBondContact N-O 2.92Å; E250-T269 VanDerWaalsContact N-O 3.11Å; E250-T269 PolarHBondContact O-N 2.62Å; N267-T269 VanDerWaalsContact C-N 3.32Å; N267-T269 PolarHBondContact O-N 2.91Å; N267-T269 PolarHBondContact O-OG1 2.87Å |
| 270 | W | 93.9 | Very high | 69.3 | Low | 6 Ų | 6 | 86.3 Ų | 86.3 | 2% | 0.023 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.1 | 171.3 | -74.8 | 109 | 0 | 0 | 0 | 111.2 | F168 L189 Y209 N211 P212 P213 L232 I234 W247 I248 L249 | F168-W270 HydrophobicContact CD2-CH2 4.33Å; F168-W270 AromaticContact CD2-CZ2 3.92Å; F168-W270 HydrophobicContact CD2-CZ2 3.92Å; F168-W270 HydrophobicContact CE2-CH2 4.47Å; F168-W270 AromaticContact CE2-CZ2 4Å; F168-W270 HydrophobicContact CE2-CZ2 4Å; L189-W270 HydrophobicContact CD1-CZ2 4.41Å; L189-W270 HydrophobicContact CD2-CZ2 4.19Å; Y209-W270 PolarHBondContact O-N 2.82Å; N211-W270 WeakPolarHBondContact O-CB 3.3Å; P212-W270 HydrophobicContact CB-CG 4.41Å; P213-W270 HydrophobicContact CG-CD2 4.21Å; P213-W270 HydrophobicContact CG-CE3 3.79Å; P213-W270 HydrophobicContact CG-CH2 4.11Å; P213-W270 HydrophobicContact CG-CZ2 4.47Å; P213-W270 HydrophobicContact CG-CZ3 3.75Å; L232-W270 HydrophobicContact CD2-CH2 4.47Å; I234-W270 HydrophobicContact CD1-CH2 3.58Å; I234-W270 HydrophobicContact CD1-CZ3 4.1Å; I234-W270 HydrophobicContact CG1-CH2 4.18Å; I234-W270 HydrophobicContact CG1-CZ3 4.31Å; W247-W270 HydrophobicContact CB-CE3 4.18Å; W247-W270 HydrophobicContact CB-CZ3 4.13Å; I248-W270 WeakPolarHBondContact O-CA 3.29Å; L249-W270 HydrophobicContact CB-CD2 3.89Å; L249-W270 HydrophobicContact CB-CE3 3.71Å; L249-W270 HydrophobicContact CB-CH2 3.8Å; L249-W270 HydrophobicContact CB-CZ2 4Å; L249-W270 HydrophobicContact CB-CZ3 3.67Å; L249-W270 HydrophobicContact CD1-CD2 3.96Å; L249-W270 HydrophobicContact CD1-CG 4Å; L249-W270 HydrophobicContact CD2-CH2 4.37Å; L249-W270 HydrophobicContact CD2-CZ2 3.92Å; L249-W270 HydrophobicContact CG-CD2 4.42Å; L249-W270 HydrophobicContact CG-CZ2 4.38Å |
| 271 | H | 92.3 | Very high | 72.3 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 31% | 0.306 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.8 | 167.5 | 66.1 | 101 | 0 | 0 | 0 | 111.4 | I248 | I248-H271 PolarHBondContact N-O 2.87Å; I248-H271 PolarHBondContact O-N 3.33Å |
| 272 | S | 93.7 | Very high | 75.5 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | trans | -96.2 | 112.7 | 163.3 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | L246 | L246-S272 WeakPolarHBondContact O-CB 3.15Å; L246-S272 PolarHBondContact O-OG 2.88Å | ||
| 273 | P | 92.5 | Very high | 78.6 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 12% | 0.117 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 155.6 | -178 | 33.1 | -36.8 | 0 | 0 | 0 | 111.9 | L246 I248 I275 L332 | L246-P273 HydrophobicContact CD2-CG 3.54Å; I248-P273 HydrophobicContact CD1-CG 3.89Å; I248-P273 HydrophobicContact CG1-CG 4.13Å; P273-I275 WeakPolarHBondContact O-CG1 3.47Å; P273-I275 PolarHBondContact O-N 2.97Å; P273-L332 HydrophobicContact CB-CD1 3.54Å; P273-L332 HydrophobicContact CG-CD1 3.79Å |
| 274 | K | 89.8 | Confident | 81.9 | Confident | 206 Ų | 206 | 63.1 Ų | 63.1 | 90% | 0.896 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 116.7 | 168 | -67.6 | -176.3 | 178 | -178.4 | 0 | 109.2 | ||
| 275 | I | 90.7 | Very high | 85 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 138.2 | 179.5 | -31.4 | 174.6 | 0 | 0 | 0 | 109.4 | L246 P273 L327 L332 | L246-I275 HydrophobicContact CB-CD1 3.55Å; P273-I275 WeakPolarHBondContact O-CG1 3.47Å; P273-I275 PolarHBondContact O-N 2.97Å; I275-L327 HydrophobicContact CG2-CD1 3.64Å; I275-L332 WeakPolarHBondContact CA-O 3.12Å; I275-L332 VanDerWaalsContact CG2-O 3.24Å; I275-L332 WeakPolarHBondContact CG2-O 3.24Å |
| 276 | G | 89.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -101.3 | 169.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L332 H333 W334 | G276-L332 PolarHBondContact N-O 2.91Å; G276-H333 CarbonylContact O-C 3.56Å; G276-H333 WeakPolarHBondContact O-CA 3.49Å; G276-W334 PolarHBondContact O-N 2.88Å |
| 277 | G | 88.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 76.8 | -176 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P279 H333 | G277-P279 WeakPolarHBondContact O-CD 3.18Å; G277-H333 PolarHBondContact N-CE1 2.62Å; G277-H333 PolarHBondContact N-NE2 3Å |
| 278 | I | 88.2 | Confident | 92.5 | Very high | 152 Ų | 152 | 48.3 Ų | 48.3 | 78% | 0.779 | 27% | 0.271 | S | S | * | . | trans | -90.4 | 113.1 | -178.3 | -58.1 | 175.8 | 0 | 0 | 0 | 109.2 | W334 | I278-W334 WeakPolarHBondContact O-CB 3.35Š| ||
| 279 | P | 90.8 | Very high | 93 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 148.3 | 174.6 | 30.3 | -34.8 | 0 | 0 | 0 | 111 | G277 | G277-P279 WeakPolarHBondContact O-CD 3.18Š|
| 280 | P | 93 | Very high | 93.3 | Very high | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 154.1 | 172.8 | 33.3 | -35.4 | 0 | 0 | 0 | 111 | Y235 A325 W334 | Y235-P280 WeakPolarHBondContact OH-CG 3.47Å; Y235-P280 PolarHBondContact OH-O 3.29Å; P280-A325 HydrophobicContact CB-CB 3.83Å; P280-A325 HydrophobicContact CG-CB 3.66Å; P280-W334 HydrophobicContact CG-CH2 3.95Å; P280-W334 HydrophobicContact CG-CZ2 4.34Å; P280-W334 HydrophobicContact CG-CZ3 4.08Å |
| 281 | Q | 92.4 | Very high | 93.2 | Very high | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 141.9 | -179.2 | -73 | 179.1 | -15.9 | 0 | 0 | 113.3 | R283 V302 | Q281-R283 PolarHBondContact O-NE 2.6Å; Q281-R283 PolarHBondContact O-NH2 2.87Å; Q281-V302 HydrophobicContact CB-CB 4.21Å; Q281-V302 HydrophobicContact CB-CG1 3.86Å |
| 282 | P | 96.1 | Very high | 93 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 135.7 | 176.9 | -30.1 | 36.2 | 0 | 0 | 0 | 113.3 | R242 L243 P303 | R242-P282 HydrophobicContact CB-CB 4.08Å; R242-P282 WeakPolarHBondContact O-CB 3.39Å; L243-P282 CarbonylContact O-C 3.57Å; L243-P282 WeakPolarHBondContact O-CA 3.48Å; P282-P303 WeakPolarHBondContact O-CD 3.07Å |
| 283 | R | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | trans | -155 | 138.9 | -166.8 | 57.5 | -174.6 | 66.4 | -152.8 | -2.8 | 117.1 | Y235 G237 L243 Q281 H286 G299 W301 V302 S323 | Y235-R283 HydrophobicContact CE1-CG 4.29Å; G237-R283 PolarHBondContact N-O 2.87Å; G237-R283 CarbonylContact O-C 3.49Å; L243-R283 PolarHBondContact O-N 3.08Å; Q281-R283 PolarHBondContact O-NE 2.6Å; Q281-R283 PolarHBondContact O-NH2 2.87Å; R283-H286 HydrophobicContact CG-CB 4.11Å; R283-H286 PolarHBondContact O-ND1 3.04Å; R283-H286 VanDerWaalsContact O-ND1 3.08Å; R283-G299 PolarHBondContact NH1-O 3.37Å; R283-W301 WeakPolarHBondContact CA-O 3.33Å; R283-V302 HydrophobicContact CB-CG1 4.13Å; R283-S323 PolarHBondContact NH1-OG 2.89Å; R283-S323 PolarHBondContact NH2-OG 2.96Å | ||
| 284 | S | 96.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 162.3 | 166.1 | 63 | 0 | 0 | 0 | 0 | 111.7 | S218 M238 H286 G300 W301 | S218-S284 WeakPolarHBondContact O-CA 3.27Å; M238-S284 PolarHBondContact SD-OG 2.88Å; S284-H286 PolarHBondContact O-N 2.89Å; S284-H286 VanDerWaalsContact O-N 3.15Å; S284-G300 CarbonylContact O-C 3.58Å; S284-G300 VanDerWaalsContact O-CA 3.25Å; S284-G300 WeakPolarHBondContact O-CA 3.42Å; S284-W301 PolarHBondContact N-O 3Å; S284-W301 PolarHBondContact O-N 2.95Å |
| 285 | L | 95.5 | Very high | 93 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 55.7 | 30.3 | -179.9 | -69.7 | 171.2 | 0 | 0 | 0 | 113.6 | S218 A351 G352 | S218-L285 PolarHBondContact O-N 3.02Å; S218-L285 WeakPolarHBondContact OG-CD2 3.05Å; L285-A351 HydrophobicContact CB-CB 4.13Å; L285-G352 PolarHBondContact O-N 2.69Å |
| 286 | H | 96.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | trans | -88.9 | -177.1 | 172.3 | 69 | -90.1 | 0 | 0 | 0 | 110.4 | S220 Y235 R283 S284 G299 H353 | S220-H286 WeakPolarHBondContact CB-NE2 3.49Å; S220-H286 PolarHBondContact OG-CD2 2.92Å; S220-H286 PolarHBondContact OG-NE2 3.01Å; Y235-H286 AromaticContact CD1-NE2 3.66Å; Y235-H286 PolarHBondContact O-CE1 2.67Å; Y235-H286 VanDerWaalsContact O-CE1 3.23Å; Y235-H286 PolarHBondContact O-NE2 2.88Å; R283-H286 HydrophobicContact CG-CB 4.11Å; R283-H286 PolarHBondContact O-ND1 3.04Å; R283-H286 VanDerWaalsContact O-ND1 3.08Å; S284-H286 PolarHBondContact O-N 2.89Å; S284-H286 VanDerWaalsContact O-N 3.15Å; H286-G299 VanDerWaalsContact CB-O 3.26Å; H286-G299 WeakPolarHBondContact CB-O 3.45Å; H286-H353 VanDerWaalsContact CA-CE1 3.43Å; H286-H353 WeakPolarHBondContact CA-CE1 3.01Å | ||
| 287 | S | 96.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.1 | 167.6 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | V297 F298 H353 A355 | S287-V297 WeakPolarHBondContact O-CA 3.41Å; S287-F298 PolarHBondContact N-O 2.62Å; S287-F298 PolarHBondContact O-N 3.4Å; S287-H353 WeakPolarHBondContact CB-NE2 3.39Å; S287-H353 PolarHBondContact N-CE1 2.87Å; S287-H353 PolarHBondContact N-NE2 3.08Å; S287-H353 PolarHBondContact OG-NE2 3.22Å; S287-A355 VanDerWaalsContact OG-CB 3.31Å; S287-A355 WeakPolarHBondContact OG-CB 3.43Å |
| 288 | A | 96.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S220 M295 Y296 V297 | S220-A288 VanDerWaalsContact CB-CB 3.43Å; S220-A288 PolarHBondContact OG-N 2.92Å; A288-M295 HydrophobicContact CB-CG 4.02Å; A288-M295 HydrophobicContact CB-SD 3.94Å; A288-Y296 CarbonylContact C-O 3.57Å; A288-Y296 VanDerWaalsContact CA-O 3.31Å; A288-Y296 WeakPolarHBondContact CA-O 3.04Å; A288-V297 HydrophobicContact CB-CG2 3.98Å |
| 289 | N | 95.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 26.1 Ų | 26.1 | 15% | 0.15 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 138.2 | 177.1 | -95.1 | -116.5 | 0 | 0 | 0 | 109.6 | M295 Y296 A355 V356 A357 L362 | N289-M295 CarbonylContact O-C 3.53Å; N289-M295 WeakPolarHBondContact O-CA 3.27Å; N289-Y296 PolarHBondContact N-O 3.39Å; N289-Y296 PolarHBondContact O-N 3.44Å; N289-A355 PolarHBondContact ND2-O 3.32Å; N289-A355 VanDerWaalsContact ND2-O 3.14Å; N289-A355 PolarHBondContact OD1-O 2.97Å; N289-V356 WeakPolarHBondContact OD1-CA 3.49Å; N289-A357 PolarHBondContact OD1-N 3.29Å; N289-L362 HydrophobicContact CB-CD1 3.51Å; N289-L362 HydrophobicContact CB-CD2 4.42Å; N289-L362 VanDerWaalsContact CG-CD1 3.46Å; N289-L362 WeakPolarHBondContact OD1-CD1 3.29Å |
| 290 | I | 94.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 22.6 Ų | 22.6 | 20% | 0.195 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.1 | 176.9 | -65 | 178.5 | 0 | 0 | 0 | 110.9 | C222 F223 F224 G292 K294 M295 L329 | C222-I290 HydrophobicContact CB-CD1 3.56Å; C222-I290 HydrophobicContact CB-CG1 3.86Å; F223-I290 WeakPolarHBondContact O-CD1 3.01Å; F224-I290 HydrophobicContact CB-CD1 3.92Å; F224-I290 HydrophobicContact CD2-CD1 4.44Å; F224-I290 HydrophobicContact CD2-CG2 4.49Å; F224-I290 HydrophobicContact CG-CD1 4.45Å; I290-G292 VanDerWaalsContact CG2-O 3.24Å; I290-G292 WeakPolarHBondContact CG2-O 3.09Å; I290-K294 WeakPolarHBondContact CA-O 3.41Å; I290-M295 HydrophobicContact CG1-CB 4.06Å; I290-M295 HydrophobicContact CG1-CG 4.28Å; I290-L329 HydrophobicContact CD1-CD1 3.47Å; I290-L329 VanDerWaalsContact CD1-CD1 3.47Å; I290-L329 HydrophobicContact CG1-CD1 3.89Å; I290-L329 HydrophobicContact CG2-CD1 4.24Å |
| 291 | I | 90.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.3 | 167.9 | -60 | 179.4 | 0 | 0 | 0 | 107.8 | K294 Y296 A357 L362 T389 | I291-K294 PolarHBondContact N-O 3.22Å; I291-K294 PolarHBondContact O-N 3.3Å; I291-Y296 HydrophobicContact CB-CD2 4.45Å; I291-Y296 HydrophobicContact CB-CE2 4.17Å; I291-A357 HydrophobicContact CD1-CB 4.07Å; I291-A357 HydrophobicContact CG1-CB 3.77Å; I291-L362 HydrophobicContact CD1-CB 4.06Å; I291-T389 HydrophobicContact CD1-CG2 4.08Å |
| 292 | G | 88.2 | Confident | 94.4 | Very high | 64 Ų | 64 | 17.7 Ų | 17.7 | 66% | 0.66 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -130.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.7 | I290 K294 | I290-G292 VanDerWaalsContact CG2-O 3.24Å; I290-G292 WeakPolarHBondContact CG2-O 3.09Å; G292-K294 VanDerWaalsContact C-N 3.31Å; G292-K294 PolarHBondContact O-N 2.82Å |
| 293 | N | 89.4 | Confident | 94.1 | Very high | 54 Ų | 54 | 17.5 Ų | 17.5 | 29% | 0.289 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 19.3 | 177 | 64.6 | -31.4 | 0 | 0 | 0 | 113.7 | F224 L329 D330 | F224-N293 HydrophobicContact CZ-CB 4.41Å; N293-L329 PolarHBondContact O-N 2.87Å; N293-D330 PolarHBondContact ND2-OD2 3.19Å |
| 294 | K | 91.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.7 | -171.6 | -64 | -171.8 | -177.2 | -156.9 | 0 | 112.2 | T30 I290 I291 G292 Y296 L327 R328 E335 | T30-K294 PolarHBondContact OG1-NZ 3.35Å; I290-K294 WeakPolarHBondContact CA-O 3.41Å; I291-K294 PolarHBondContact N-O 3.22Å; I291-K294 PolarHBondContact O-N 3.3Å; G292-K294 VanDerWaalsContact C-N 3.31Å; G292-K294 PolarHBondContact O-N 2.82Å; K294-Y296 HydrophobicContact CB-CD2 4.48Å; K294-Y296 HydrophobicContact CB-CE2 3.78Å; K294-L327 WeakPolarHBondContact CA-O 3.49Å; K294-R328 HydrophobicContact CG-CG 4.43Å; K294-E335 WeakPolarHBondContact CE-OE2 3.44Å; K294-E335 IonicContact NZ-OE1 2.73Å; K294-E335 PolarHBondContact NZ-OE1 2.81Å; K294-E335 IonicContact NZ-OE2 2.72Å; K294-E335 PolarHBondContact NZ-OE2 3.18Å |
| 295 | M | 95.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.5 | 171.7 | -177.6 | 179.6 | 76.1 | 0 | 0 | 109.8 | I233 Y235 L246 A288 N289 I290 V297 C326 L327 L329 W334 | I233-M295 HydrophobicContact CG2-SD 4.48Å; Y235-M295 HydrophobicContact CG-CE 4.44Å; L246-M295 HydrophobicContact CD1-CE 4.13Å; A288-M295 HydrophobicContact CB-CG 4.02Å; A288-M295 HydrophobicContact CB-SD 3.94Å; N289-M295 CarbonylContact O-C 3.53Å; N289-M295 WeakPolarHBondContact O-CA 3.27Å; I290-M295 HydrophobicContact CG1-CB 4.06Å; I290-M295 HydrophobicContact CG1-CG 4.28Å; M295-V297 HydrophobicContact CE-CG2 3.89Å; M295-V297 HydrophobicContact CG-CG2 4.4Å; M295-C326 WeakPolarHBondContact O-CA 3.34Å; M295-L327 HydrophobicContact CB-CB 4.42Å; M295-L327 HydrophobicContact CE-CB 4.13Å; M295-L327 HydrophobicContact CE-CD2 3.84Å; M295-L327 PolarHBondContact N-O 3.05Å; M295-L327 PolarHBondContact O-N 2.88Å; M295-L329 HydrophobicContact CB-CD1 4.23Å; M295-L329 HydrophobicContact CB-CD2 3.9Å; M295-L329 HydrophobicContact CB-CG 4.26Å; M295-W334 HydrophobicContact CE-CH2 4.35Å |
| 296 | Y | 95.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124 | 175.4 | -65.8 | -88.5 | 0 | 0 | 0 | 109.7 | V32 A288 N289 I291 K294 A325 C326 L387 T389 | V32-Y296 HydrophobicContact CG1-CE1 4.19Å; A288-Y296 CarbonylContact C-O 3.57Å; A288-Y296 VanDerWaalsContact CA-O 3.31Å; A288-Y296 WeakPolarHBondContact CA-O 3.04Å; N289-Y296 PolarHBondContact N-O 3.39Å; N289-Y296 PolarHBondContact O-N 3.44Å; I291-Y296 HydrophobicContact CB-CD2 4.45Å; I291-Y296 HydrophobicContact CB-CE2 4.17Å; K294-Y296 HydrophobicContact CB-CD2 4.48Å; K294-Y296 HydrophobicContact CB-CE2 3.78Å; Y296-A325 WeakPolarHBondContact CA-O 3.44Å; Y296-C326 HydrophobicContact CD1-CB 4.07Å; Y296-C326 HydrophobicContact CE1-CB 4.03Å; Y296-L387 HydrophobicContact CD1-CD2 3.98Å; Y296-L387 HydrophobicContact CE1-CD2 4.26Å; Y296-T389 HydrophobicContact CD2-CG2 4.4Å; Y296-T389 HydrophobicContact CE1-CG2 4.11Å; Y296-T389 HydrophobicContact CE2-CG2 3.88Å |
| 297 | V | 96.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.6 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | Y235 S287 A288 M295 L324 A325 W334 | Y235-V297 HydrophobicContact CD1-CG1 4.23Å; Y235-V297 HydrophobicContact CD1-CG2 4.13Å; Y235-V297 HydrophobicContact CE1-CG1 3.99Å; Y235-V297 HydrophobicContact CE1-CG2 4.42Å; S287-V297 WeakPolarHBondContact O-CA 3.41Å; A288-V297 HydrophobicContact CB-CG2 3.98Å; M295-V297 HydrophobicContact CE-CG2 3.89Å; M295-V297 HydrophobicContact CG-CG2 4.4Å; V297-L324 CarbonylContact O-C 3.52Å; V297-L324 WeakPolarHBondContact O-CA 3.42Å; V297-A325 PolarHBondContact N-O 3.44Å; V297-A325 PolarHBondContact O-N 2.81Å; V297-W334 HydrophobicContact CG2-CH2 4Å; V297-W334 HydrophobicContact CG2-CZ3 4.23Å |
| 298 | F | 96 | Very high | 84.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.2 | -178.4 | -176.2 | -100.4 | 0 | 0 | 0 | 113 | W34 S287 N322 L324 P347 R350 H353 I364 | W34-F298 HydrophobicContact CH2-CD2 4.15Å; W34-F298 HydrophobicContact CH2-CE2 4.27Å; W34-F298 HydrophobicContact CH2-CG 4.31Å; W34-F298 AromaticContact CZ2-CD2 3.56Å; W34-F298 HydrophobicContact CZ2-CD2 3.56Å; W34-F298 AromaticContact CZ2-CE2 3.58Å; W34-F298 HydrophobicContact CZ2-CE2 3.58Å; W34-F298 HydrophobicContact CZ2-CG 4.16Å; W34-F298 HydrophobicContact CZ2-CZ 4.26Å; S287-F298 PolarHBondContact N-O 2.62Å; S287-F298 PolarHBondContact O-N 3.4Å; F298-N322 WeakPolarHBondContact CE2-O 3.41Å; F298-N322 HydrophobicContact CZ-CB 4.39Å; F298-L324 HydrophobicContact CB-CD1 4.07Å; F298-L324 HydrophobicContact CD2-CB 3.99Å; F298-L324 HydrophobicContact CD2-CD1 4.06Å; F298-P347 HydrophobicContact CZ-CB 4.02Å; F298-P347 HydrophobicContact CZ-CG 4.12Å; F298-R350 HydrophobicContact CE1-CG 3.9Å; F298-H353 AromaticContact CD1-NE2 3.69Å; F298-H353 PolarHBondContact O-CE1 2.74Å; F298-H353 PolarHBondContact O-NE2 2.79Å; F298-H353 VanDerWaalsContact O-NE2 3.1Å; F298-I364 HydrophobicContact CD1-CD1 3.87Å; F298-I364 HydrophobicContact CD1-CG2 4.45Å; F298-I364 HydrophobicContact CE1-CD1 3.39Å; F298-I364 HydrophobicContact CZ-CD1 3.9Å |
| 299 | G | 94.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | 67.4 | -157.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R283 H286 T321 S323 H353 | R283-G299 PolarHBondContact NH1-O 3.37Å; H286-G299 VanDerWaalsContact CB-O 3.26Å; H286-G299 WeakPolarHBondContact CB-O 3.45Å; G299-T321 WeakPolarHBondContact CA-O 3.07Å; G299-S323 PolarHBondContact N-O 3.38Å; G299-H353 VanDerWaalsContact C-CE1 3.42Å; G299-H353 WeakPolarHBondContact CA-CE1 3.05Å | ||
| 300 | G | 95 | Very high | 78.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | 103.1 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S284 C320 T321 R350 H353 | S284-G300 CarbonylContact O-C 3.58Å; S284-G300 VanDerWaalsContact O-CA 3.25Å; S284-G300 WeakPolarHBondContact O-CA 3.42Å; G300-C320 WeakPolarHBondContact O-CA 3.07Å; G300-T321 PolarHBondContact O-N 2.93Å; G300-R350 PolarHBondContact N-O 3.08Å; G300-H353 PolarHBondContact N-CE1 3.41Å | ||
| 301 | W | 93.3 | Very high | 75.8 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.4 | 169.3 | -71.5 | 98.3 | 0 | 0 | 0 | 110.2 | R283 S284 W318 K319 A351 | R283-W301 WeakPolarHBondContact CA-O 3.33Å; S284-W301 PolarHBondContact N-O 3Å; S284-W301 PolarHBondContact O-N 2.95Å; W301-W318 HydrophobicContact CE3-CB 4.13Å; W301-W318 WeakPolarHBondContact CZ3-O 3.44Å; W301-K319 WeakPolarHBondContact CA-O 3.16Å; W301-K319 VanDerWaalsContact CE3-C 3.4Å; W301-A351 HydrophobicContact CD2-CB 4.43Å; W301-A351 HydrophobicContact CG-CB 4.02Å |
| 302 | V | 93 | Very high | 73.2 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 158.3 | 172.1 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | Q281 R283 W318 K319 T321 | Q281-V302 HydrophobicContact CB-CB 4.21Å; Q281-V302 HydrophobicContact CB-CG1 3.86Å; R283-V302 HydrophobicContact CB-CG1 4.13Å; V302-W318 CarbonylContact O-C 3.44Å; V302-W318 VanDerWaalsContact O-CA 3.27Å; V302-W318 WeakPolarHBondContact O-CA 3.19Å; V302-W318 WeakPolarHBondContact O-CB 3.19Å; V302-K319 HydrophobicContact CG2-CG 3.83Å; V302-K319 PolarHBondContact N-O 3.48Å; V302-K319 PolarHBondContact O-N 3.21Å; V302-T321 HydrophobicContact CG1-CG2 3.89Å |
| 303 | P | 88.4 | Confident | 70.6 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 153.3 | 168.8 | -24.4 | 34.8 | 0 | 0 | 0 | 112.6 | P282 | P282-P303 WeakPolarHBondContact O-CD 3.07Å |
| 304 | L | 79.5 | Confident | 68 | Low | 79 Ų | 79 | 81.3 Ų | 81.3 | 41% | 0.414 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 154.6 | 154.6 | -146.9 | 73.7 | 0 | 0 | 0 | 108.8 | E317 K319 | L304-E317 HydrophobicContact CB-CB 3.86Å; L304-E317 HydrophobicContact CD2-CB 4.11Å; L304-E317 WeakPolarHBondContact CD2-OE2 3.46Å; L304-E317 PolarHBondContact N-O 2.79Å; L304-K319 HydrophobicContact CD1-CB 4.34Å; L304-K319 HydrophobicContact CD1-CD 3.78Å; L304-K319 HydrophobicContact CD1-CG 4.15Å |
| 305 | G | 63.1 | Low | 65.7 | Low | 52 Ų | 52 | 87.7 Ų | 87.7 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 149.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D307 | G305-D307 PolarHBondContact O-N 2.88Š|
| 306 | E | 49.9 | Very low | 63.9 | Low | 183 Ų | 183 | 94.6 Ų | 94.6 | 86% | 0.855 | 48% | 0.483 | S | S | * | . | trans | -79 | 98.6 | 172.1 | -69.5 | 169 | 165.3 | 0 | 0 | 108.6 | E308 | E306-E308 PolarHBondContact O-N 3.03Š| ||
| 307 | D | 40.4 | Very low | 62.9 | Low | 141 Ų | 141 | 100.1 Ų | 100.1 | 75% | 0.754 | 51% | 0.509 | S | S | * | . | trans | -70.6 | 112.6 | 161.2 | -74.5 | -34.7 | 0 | 0 | 0 | 107.3 | G305 N309 | G305-D307 PolarHBondContact O-N 2.88Å; D307-N309 PolarHBondContact O-N 2.77Å | ||
| 308 | E | 40.3 | Very low | 62.1 | Low | 198 Ų | 198 | 105.2 Ų | 105.2 | 93% | 0.925 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 13 | -170.6 | -61.6 | -171.4 | 135.3 | 0 | 0 | 115.8 | E306 | E306-E308 PolarHBondContact O-N 3.03Š|
| 309 | N | 41.7 | Very low | 61.8 | Low | 158 Ų | 158 | 109.9 Ų | 109.9 | 85% | 0.845 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 25.1 | -168 | -107 | -36.3 | 0 | 0 | 0 | 114.5 | D307 | D307-N309 PolarHBondContact O-N 2.77Š|
| 310 | R | 39.4 | Very low | 61.6 | Low | 209 Ų | 209 | 110.5 Ų | 110.5 | 79% | 0.789 | 55% | 0.552 | S | S | * | * | trans | -134.7 | 86.1 | 176.2 | -70.1 | -170.2 | 174.4 | -173.6 | -1.2 | 113.9 | T312 | R310-T312 VanDerWaalsContact C-N 3.29Å; R310-T312 PolarHBondContact O-N 3.28Å | ||
| 311 | N | 31.3 | Very low | 61.5 | Low | 177 Ų | 177 | 111.3 Ų | 111.3 | 95% | 0.947 | 56% | 0.557 | S | S | * | * | trans | -73.6 | 74.8 | 168.2 | -87.4 | -20.8 | 0 | 0 | 0 | 112.2 | ||||
| 312 | T | 36.4 | Very low | 61.4 | Low | 118 Ų | 118 | 114 Ų | 114 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -141.6 | 157.6 | 161.8 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | R310 C314 | R310-T312 VanDerWaalsContact C-N 3.29Å; R310-T312 PolarHBondContact O-N 3.28Å; T312-C314 VanDerWaalsContact C-N 3.32Å; T312-C314 PolarHBondContact O-N 2.82Å |
| 313 | Q | 33.9 | Very low | 61.3 | Low | 205 Ų | 205 | 115.7 Ų | 115.7 | 96% | 0.958 | 59% | 0.585 | S | S | * | * | trans | -66.2 | 86.5 | 179.3 | -71.9 | 178.1 | -25.9 | 0 | 0 | 111.1 | ||||
| 314 | C | 32.9 | Very low | 61.5 | Low | 92 Ų | 92 | 115 Ų | 115 | 62% | 0.622 | 58% | 0.579 | S | S | * | * | trans | -82.8 | 118.9 | -179.1 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | T312 K316 | T312-C314 VanDerWaalsContact C-N 3.32Å; T312-C314 PolarHBondContact O-N 2.82Å; C314-K316 PolarHBondContact O-N 3.45Å | ||
| 315 | E | 43.9 | Very low | 62.2 | Low | 156 Ų | 156 | 111.8 Ų | 111.8 | 73% | 0.729 | 56% | 0.564 | S | S | * | * | trans | -54.8 | 110.8 | 160.1 | -70.8 | -164.3 | 127.3 | 0 | 0 | 107.7 | E317 K373 | E315-E317 PolarHBondContact O-N 2.75Å; E315-K373 IonicContact OE2-NZ 2.82Å | ||
| 316 | K | 57.2 | Low | 63.6 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 64% | 0.643 | 54% | 0.538 | S | S | * | . | trans | -52 | 107.7 | -171.1 | -66.7 | -174 | 176.7 | -170 | 0 | 110.8 | C314 W318 | C314-K316 PolarHBondContact O-N 3.45Å; K316-W318 HydrophobicContact CB-CE3 4.3Å; K316-W318 HydrophobicContact CB-CH2 3.89Å; K316-W318 HydrophobicContact CB-CZ3 3.64Å; K316-W318 VanDerWaalsContact O-CH2 3.28Å; K316-W318 WeakPolarHBondContact O-CH2 3.06Å; K316-W318 WeakPolarHBondContact O-CZ2 3.45Å; K316-W318 VanDerWaalsContact O-CZ3 3.26Å; K316-W318 WeakPolarHBondContact O-CZ3 3.19Å | ||
| 317 | E | 74.3 | Confident | 65.8 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | trans | -74.8 | 159.4 | -176.6 | -67.6 | -152.6 | 141.7 | 0 | 0 | 112 | L304 E315 | L304-E317 HydrophobicContact CB-CB 3.86Å; L304-E317 HydrophobicContact CD2-CB 4.11Å; L304-E317 WeakPolarHBondContact CD2-OE2 3.46Å; L304-E317 PolarHBondContact N-O 2.79Å; E315-E317 PolarHBondContact O-N 2.75Å | ||
| 318 | W | 80.5 | Confident | 68.2 | Low | 106 Ų | 106 | 97 Ų | 97 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.2 | -177.1 | 6 | 78 | 0 | 0 | 0 | 111.9 | R242 W301 V302 K316 | R242-W318 VanDerWaalsContact CZ-CE3 3.43Å; R242-W318 VanDerWaalsContact NH1-CD2 3.29Å; R242-W318 VanDerWaalsContact NH1-CE2 3.31Å; R242-W318 VanDerWaalsContact NH1-CZ2 3.25Å; W301-W318 HydrophobicContact CE3-CB 4.13Å; W301-W318 WeakPolarHBondContact CZ3-O 3.44Å; V302-W318 CarbonylContact O-C 3.44Å; V302-W318 VanDerWaalsContact O-CA 3.27Å; V302-W318 WeakPolarHBondContact O-CA 3.19Å; V302-W318 WeakPolarHBondContact O-CB 3.19Å; K316-W318 HydrophobicContact CB-CE3 4.3Å; K316-W318 HydrophobicContact CB-CH2 3.89Å; K316-W318 HydrophobicContact CB-CZ3 3.64Å; K316-W318 VanDerWaalsContact O-CH2 3.28Å; K316-W318 WeakPolarHBondContact O-CH2 3.06Å; K316-W318 WeakPolarHBondContact O-CZ2 3.45Å; K316-W318 VanDerWaalsContact O-CZ3 3.26Å; K316-W318 WeakPolarHBondContact O-CZ3 3.19Å |
| 319 | K | 88.9 | Confident | 70.7 | Confident | 99 Ų | 99 | 88 Ų | 88 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.8 | 179 | 58 | -179.7 | 163.7 | -164.1 | 0 | 111.8 | W301 V302 L304 | W301-K319 WeakPolarHBondContact CA-O 3.16Å; W301-K319 VanDerWaalsContact CE3-C 3.4Å; V302-K319 HydrophobicContact CG2-CG 3.83Å; V302-K319 PolarHBondContact N-O 3.48Å; V302-K319 PolarHBondContact O-N 3.21Å; L304-K319 HydrophobicContact CD1-CB 4.34Å; L304-K319 HydrophobicContact CD1-CD 3.78Å; L304-K319 HydrophobicContact CD1-CG 4.15Å |
| 320 | C | 91.4 | Very high | 72.9 | Confident | 12 Ų | 12 | 84.6 Ų | 84.6 | 8% | 0.081 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 151.4 | 163.6 | -72.7 | 0 | 0 | 0 | 0 | 110.1 | G300 A349 R368 D369 | G300-C320 WeakPolarHBondContact O-CA 3.07Å; C320-A349 HydrophobicContact CB-CB 4.21Å; C320-R368 PolarHBondContact SG-O 3.09Å; C320-D369 VanDerWaalsContact CB-O 3.3Å; C320-D369 WeakPolarHBondContact CB-O 3.14Å |
| 321 | T | 91.7 | Very high | 75.2 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 10% | 0.104 | 40% | 0.401 | C | S | . | . | trans | -122.6 | 156 | 175 | -170.2 | 0 | 0 | 0 | 0 | 112 | G299 G300 V302 S323 A349 R350 | G299-T321 WeakPolarHBondContact CA-O 3.07Å; G300-T321 PolarHBondContact O-N 2.93Å; V302-T321 HydrophobicContact CG1-CG2 3.89Å; T321-S323 WeakPolarHBondContact CG2-OG 3.29Å; T321-S323 WeakPolarHBondContact OG1-CB 3.48Å; T321-S323 PolarHBondContact OG1-N 3.2Å; T321-S323 PolarHBondContact OG1-OG 3.34Å; T321-A349 WeakPolarHBondContact O-CA 3.27Å; T321-R350 PolarHBondContact O-N 3.28Å | ||
| 322 | N | 91 | Very high | 78.1 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | trans | -106.6 | 10.5 | 163.9 | 60 | -14.5 | 0 | 0 | 0 | 112.1 | F298 L324 P347 A349 | F298-N322 WeakPolarHBondContact CE2-O 3.41Å; F298-N322 HydrophobicContact CZ-CB 4.39Å; N322-L324 PolarHBondContact O-N 2.83Å; N322-P347 VanDerWaalsContact CB-O 3.27Å; N322-P347 WeakPolarHBondContact CB-O 3.37Å; N322-A349 HydrophobicContact CB-CB 4.27Å | ||
| 323 | S | 91.7 | Very high | 80.9 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | trans | -60.2 | 129.9 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | R283 G299 T321 | R283-S323 PolarHBondContact NH1-OG 2.89Å; R283-S323 PolarHBondContact NH2-OG 2.96Å; G299-S323 PolarHBondContact N-O 3.38Å; T321-S323 WeakPolarHBondContact CG2-OG 3.29Å; T321-S323 WeakPolarHBondContact OG1-CB 3.48Å; T321-S323 PolarHBondContact OG1-N 3.2Å; T321-S323 PolarHBondContact OG1-OG 3.34Å | ||
| 324 | L | 92.8 | Very high | 83.7 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.4 | 171.1 | 179 | 68.6 | 0 | 0 | 0 | 108.1 | V32 W34 V297 F298 N322 L337 L387 | V32-L324 HydrophobicContact CG2-CD2 4Å; W34-L324 HydrophobicContact CZ2-CD1 4.18Å; W34-L324 HydrophobicContact CZ2-CD2 4.2Å; V297-L324 CarbonylContact O-C 3.52Å; V297-L324 WeakPolarHBondContact O-CA 3.42Å; F298-L324 HydrophobicContact CB-CD1 4.07Å; F298-L324 HydrophobicContact CD2-CB 3.99Å; F298-L324 HydrophobicContact CD2-CD1 4.06Å; N322-L324 PolarHBondContact O-N 2.83Å; L324-L337 HydrophobicContact CB-CD1 4.44Å; L324-L337 HydrophobicContact CD2-CD1 3.68Å; L324-L337 HydrophobicContact CG-CD1 3.61Å; L324-L387 HydrophobicContact CD1-CD2 4.18Å; L324-L387 HydrophobicContact CD2-CD1 3.83Å; L324-L387 HydrophobicContact CD2-CD2 3.64Å; L324-L387 HydrophobicContact CD2-CG 4.41Å |
| 325 | A | 93.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P280 Y296 V297 W334 | P280-A325 HydrophobicContact CB-CB 3.83Å; P280-A325 HydrophobicContact CG-CB 3.66Å; Y296-A325 WeakPolarHBondContact CA-O 3.44Å; V297-A325 PolarHBondContact N-O 3.44Å; V297-A325 PolarHBondContact O-N 2.81Å; A325-W334 HydrophobicContact CB-CE3 3.9Å; A325-W334 HydrophobicContact CB-CZ3 3.66Å |
| 326 | C | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 118.5 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | M295 Y296 W334 E335 L337 | M295-C326 WeakPolarHBondContact O-CA 3.34Å; Y296-C326 HydrophobicContact CD1-CB 4.07Å; Y296-C326 HydrophobicContact CE1-CB 4.03Å; C326-W334 CarbonylContact O-C 3.59Å; C326-W334 WeakPolarHBondContact O-CA 3.46Å; C326-E335 PolarHBondContact O-N 3.22Å; C326-L337 HydrophobicContact CB-CD1 3.87Å; C326-L337 HydrophobicContact CB-CD2 3.6Å; C326-L337 HydrophobicContact CB-CG 3.93Å |
| 327 | L | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.2 | 170.1 | -178 | 70.2 | 0 | 0 | 0 | 108.7 | L246 I275 K294 M295 L329 W334 | L246-L327 HydrophobicContact CD1-CD2 3.34Å; I275-L327 HydrophobicContact CG2-CD1 3.64Å; K294-L327 WeakPolarHBondContact CA-O 3.49Å; M295-L327 HydrophobicContact CB-CB 4.42Å; M295-L327 HydrophobicContact CE-CB 4.13Å; M295-L327 HydrophobicContact CE-CD2 3.84Å; M295-L327 PolarHBondContact N-O 3.05Å; M295-L327 PolarHBondContact O-N 2.88Å; L327-L329 HydrophobicContact CD2-CD2 3.82Å; L327-L329 HydrophobicContact CG-CD2 4.09Å; L327-W334 HydrophobicContact CB-CD2 4.14Å; L327-W334 HydrophobicContact CB-CE3 3.84Å; L327-W334 HydrophobicContact CB-CH2 4.11Å; L327-W334 HydrophobicContact CB-CZ2 4.39Å; L327-W334 HydrophobicContact CB-CZ3 3.82Å; L327-W334 HydrophobicContact CD1-CD2 3.97Å; L327-W334 HydrophobicContact CD1-CG 4.07Å |
| 328 | R | 92.3 | Very high | 88.5 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.2 | 168.3 | -167.2 | -167.9 | -76.4 | -128.5 | 3.1 | 109.2 | K294 D330 L332 H333 E335 | K294-R328 HydrophobicContact CG-CG 4.43Å; R328-D330 WeakPolarHBondContact CD-OD1 3.37Å; R328-D330 WeakPolarHBondContact CG-OD1 3.16Å; R328-L332 VanDerWaalsContact O-CA 3.25Å; R328-L332 WeakPolarHBondContact O-CA 3.28Å; R328-L332 PolarHBondContact O-N 2.83Å; R328-H333 PolarHBondContact N-O 2.93Å; R328-H333 PolarHBondContact O-N 2.94Å; R328-E335 HydrophobicContact CB-CG 4.23Å; R328-E335 IonicContact CZ-OE1 3.96Å; R328-E335 IonicContact NE-OE1 3.5Å; R328-E335 PolarHBondContact NE-OE1 2.87Å; R328-E335 IonicContact NH2-OE1 3.81Å; R328-E335 PolarHBondContact NH2-OE1 3.43Å |
| 329 | L | 92 | Very high | 87.9 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23 | -165.4 | -60.1 | 178 | 0 | 0 | 0 | 114.4 | F224 I233 I290 N293 M295 L327 T331 | F224-L329 HydrophobicContact CB-CD1 4.16Å; F224-L329 HydrophobicContact CD1-CB 3.64Å; F224-L329 HydrophobicContact CD1-CD1 3.83Å; F224-L329 HydrophobicContact CD1-CG 4.35Å; F224-L329 HydrophobicContact CD2-CD1 3.75Å; F224-L329 HydrophobicContact CE1-CB 3.33Å; F224-L329 HydrophobicContact CE1-CD1 4.16Å; F224-L329 HydrophobicContact CE1-CG 4.4Å; F224-L329 HydrophobicContact CE2-CB 4.37Å; F224-L329 HydrophobicContact CE2-CD1 4.09Å; F224-L329 HydrophobicContact CG-CB 4.32Å; F224-L329 HydrophobicContact CG-CD1 3.65Å; F224-L329 HydrophobicContact CZ-CB 3.75Å; F224-L329 HydrophobicContact CZ-CD1 4.29Å; I233-L329 HydrophobicContact CD1-CD1 4.24Å; I233-L329 HydrophobicContact CD1-CD2 3.84Å; I290-L329 HydrophobicContact CD1-CD1 3.47Å; I290-L329 VanDerWaalsContact CD1-CD1 3.47Å; I290-L329 HydrophobicContact CG1-CD1 3.89Å; I290-L329 HydrophobicContact CG2-CD1 4.24Å; N293-L329 PolarHBondContact O-N 2.87Å; M295-L329 HydrophobicContact CB-CD1 4.23Å; M295-L329 HydrophobicContact CB-CD2 3.9Å; M295-L329 HydrophobicContact CB-CG 4.26Å; L327-L329 HydrophobicContact CD2-CD2 3.82Å; L327-L329 HydrophobicContact CG-CD2 4.09Å; L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 PolarHBondContact O-N 2.91Å |
| 330 | D | 87.1 | Confident | 86.2 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.4 | 175.2 | 56.1 | 23 | 0 | 0 | 0 | 113.5 | N293 R328 | N293-D330 PolarHBondContact ND2-OD2 3.19Å; R328-D330 WeakPolarHBondContact CD-OD1 3.37Å; R328-D330 WeakPolarHBondContact CG-OD1 3.16Å |
| 331 | T | 89.4 | Confident | 84 | Confident | 87 Ų | 87 | 48 Ų | 48 | 53% | 0.534 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -1.4 | -177.5 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | L329 H333 | L329-T331 VanDerWaalsContact C-N 3.28Å; L329-T331 PolarHBondContact O-N 2.91Å; T331-H333 VanDerWaalsContact C-N 3.29Å; T331-H333 PolarHBondContact O-N 3.18Å |
| 332 | L | 92 | Very high | 81.8 | Confident | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 51.3 | -173.7 | -58.8 | 179.5 | 0 | 0 | 0 | 113 | I248 P273 I275 G276 R328 | I248-L332 HydrophobicContact CD1-CD1 4.22Å; I248-L332 HydrophobicContact CD1-CD2 4.34Å; P273-L332 HydrophobicContact CB-CD1 3.54Å; P273-L332 HydrophobicContact CG-CD1 3.79Å; I275-L332 WeakPolarHBondContact CA-O 3.12Å; I275-L332 VanDerWaalsContact CG2-O 3.24Å; I275-L332 WeakPolarHBondContact CG2-O 3.24Å; G276-L332 PolarHBondContact N-O 2.91Å; R328-L332 VanDerWaalsContact O-CA 3.25Å; R328-L332 WeakPolarHBondContact O-CA 3.28Å; R328-L332 PolarHBondContact O-N 2.83Å |
| 333 | H | 93.5 | Very high | 79.8 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.9 | -175.6 | -150.5 | 100.7 | 0 | 0 | 0 | 110.8 | G276 G277 R328 T331 E335 | G276-H333 CarbonylContact O-C 3.56Å; G276-H333 WeakPolarHBondContact O-CA 3.49Å; G277-H333 PolarHBondContact N-CE1 2.62Å; G277-H333 PolarHBondContact N-NE2 3Å; R328-H333 PolarHBondContact N-O 2.93Å; R328-H333 PolarHBondContact O-N 2.94Å; T331-H333 VanDerWaalsContact C-N 3.29Å; T331-H333 PolarHBondContact O-N 3.18Å; H333-E335 PolarHBondContact O-N 3.18Å |
| 334 | W | 92.6 | Very high | 78.2 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.7 | 173.7 | -69 | 104 | 0 | 0 | 0 | 109.6 | Y235 G276 I278 P280 M295 V297 A325 C326 L327 | Y235-W334 HydrophobicContact CD2-CZ2 4.3Å; Y235-W334 HydrophobicContact CE1-CH2 4.49Å; Y235-W334 HydrophobicContact CE2-CH2 4.18Å; Y235-W334 AromaticContact CE2-CZ2 3.75Å; Y235-W334 HydrophobicContact CE2-CZ2 3.75Å; G276-W334 PolarHBondContact O-N 2.88Å; I278-W334 WeakPolarHBondContact O-CB 3.35Å; P280-W334 HydrophobicContact CG-CH2 3.95Å; P280-W334 HydrophobicContact CG-CZ2 4.34Å; P280-W334 HydrophobicContact CG-CZ3 4.08Å; M295-W334 HydrophobicContact CE-CH2 4.35Å; V297-W334 HydrophobicContact CG2-CH2 4Å; V297-W334 HydrophobicContact CG2-CZ3 4.23Å; A325-W334 HydrophobicContact CB-CE3 3.9Å; A325-W334 HydrophobicContact CB-CZ3 3.66Å; C326-W334 CarbonylContact O-C 3.59Å; C326-W334 WeakPolarHBondContact O-CA 3.46Å; L327-W334 HydrophobicContact CB-CD2 4.14Å; L327-W334 HydrophobicContact CB-CE3 3.84Å; L327-W334 HydrophobicContact CB-CH2 4.11Å; L327-W334 HydrophobicContact CB-CZ2 4.39Å; L327-W334 HydrophobicContact CB-CZ3 3.82Å; L327-W334 HydrophobicContact CD1-CD2 3.97Å; L327-W334 HydrophobicContact CD1-CG 4.07Å |
| 335 | E | 87.4 | Confident | 77.1 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 139.6 | 178.6 | -67.3 | -174 | 151.3 | 0 | 0 | 111.4 | T30 K294 C326 R328 H333 L337 | T30-E335 PolarHBondContact OG1-OE2 2.86Å; K294-E335 WeakPolarHBondContact CE-OE2 3.44Å; K294-E335 IonicContact NZ-OE1 2.73Å; K294-E335 PolarHBondContact NZ-OE1 2.81Å; K294-E335 IonicContact NZ-OE2 2.72Å; K294-E335 PolarHBondContact NZ-OE2 3.18Å; C326-E335 PolarHBondContact O-N 3.22Å; R328-E335 HydrophobicContact CB-CG 4.23Å; R328-E335 IonicContact CZ-OE1 3.96Å; R328-E335 IonicContact NE-OE1 3.5Å; R328-E335 PolarHBondContact NE-OE1 2.87Å; R328-E335 IonicContact NH2-OE1 3.81Å; R328-E335 PolarHBondContact NH2-OE1 3.43Å; H333-E335 PolarHBondContact O-N 3.18Å; E335-L337 PolarHBondContact O-N 2.67Å |
| 336 | S | 77.1 | Confident | 76.7 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 66% | 0.657 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 126.8 | 162.1 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | T30 | T30-S336 PolarHBondContact N-O 3.23Š|
| 337 | L | 79.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.4 | 176.5 | -64.5 | -179.1 | 0 | 0 | 0 | 109.3 | T30 V32 L324 C326 E335 | T30-L337 HydrophobicContact CG2-CD2 4.27Å; V32-L337 HydrophobicContact CG1-CD2 4.42Å; V32-L337 HydrophobicContact CG2-CB 4.32Å; V32-L337 HydrophobicContact CG2-CD1 4.3Å; V32-L337 HydrophobicContact CG2-CD2 4.38Å; L324-L337 HydrophobicContact CB-CD1 4.44Å; L324-L337 HydrophobicContact CD2-CD1 3.68Å; L324-L337 HydrophobicContact CG-CD1 3.61Å; C326-L337 HydrophobicContact CB-CD1 3.87Å; C326-L337 HydrophobicContact CB-CD2 3.6Å; C326-L337 HydrophobicContact CB-CG 3.93Å; E335-L337 PolarHBondContact O-N 2.67Å |
| 338 | M | 67.2 | Low | 76.2 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.1 | 168.3 | -67.7 | -164.5 | -40.7 | 0 | 0 | 109.8 | P29 T30 F31 V32 | P29-M338 HydrophobicContact CB-CB 4.38Å; P29-M338 HydrophobicContact CB-CE 3.98Å; P29-M338 HydrophobicContact CB-CG 3.64Å; P29-M338 HydrophobicContact CB-SD 3.99Å; P29-M338 HydrophobicContact CG-CE 4.14Å; P29-M338 HydrophobicContact CG-CG 4.31Å; P29-M338 HydrophobicContact CG-SD 4.05Å; T30-M338 PolarHBondContact O-N 3.38Å; F31-M338 HydrophobicContact CD1-CE 4.35Å; F31-M338 HydrophobicContact CD2-CE 4.37Å; F31-M338 HydrophobicContact CE1-CE 3.62Å; F31-M338 HydrophobicContact CE2-CE 3.63Å; F31-M338 HydrophobicContact CZ-CE 3.21Å; V32-M338 PolarHBondContact N-O 3.15Å |
| 339 | T | 65.9 | Low | 76.2 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -103.3 | 136.1 | 166.9 | 42.5 | 0 | 0 | 0 | 0 | 109.3 | V32 C341 | V32-T339 HydrophobicContact CG2-CG2 3.82Å; V32-T339 WeakPolarHBondContact O-CG2 3.45Å; T339-C341 VanDerWaalsContact C-N 3.31Å; T339-C341 PolarHBondContact O-N 3.14Å; T339-C341 PolarHBondContact OG1-SG 2.87Å | ||
| 340 | E | 54.1 | Low | 76.3 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | trans | -71.9 | 85.9 | 170.2 | -67.9 | 173.5 | -174.3 | 0 | 0 | 109.7 | K33 F342 S345 | K33-E340 HydrophobicContact CD-CB 4.34Å; K33-E340 IonicContact NZ-OE2 2.72Å; K33-E340 PolarHBondContact NZ-OE2 2.83Å; E340-F342 PolarHBondContact O-N 2.7Å; E340-F342 VanDerWaalsContact O-N 3.12Å; E340-S345 PolarHBondContact O-OG 3.26Å | ||
| 341 | C | 45.2 | Very low | 76.6 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 63% | 0.628 | 35% | 0.349 | S | S | * | . | trans | -78.6 | 89.8 | -176.9 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | T339 | T339-C341 VanDerWaalsContact C-N 3.31Å; T339-C341 PolarHBondContact O-N 3.14Å; T339-C341 PolarHBondContact OG1-SG 2.87Å | ||
| 342 | F | 45.1 | Very low | 76.9 | Confident | 164 Ų | 164 | 62.4 Ų | 62.4 | 72% | 0.719 | 33% | 0.326 | S | S | * | . | trans | -94.1 | 139.4 | 145.4 | -66.1 | -87 | 0 | 0 | 0 | 107.8 | E340 E344 S345 | E340-F342 PolarHBondContact O-N 2.7Å; E340-F342 VanDerWaalsContact O-N 3.12Å; F342-E344 VanDerWaalsContact C-N 3.35Å; F342-E344 PolarHBondContact O-N 3.43Å; F342-S345 PolarHBondContact N-OG 2.86Å; F342-S345 VanDerWaalsContact O-CB 3.3Å; F342-S345 WeakPolarHBondContact O-CB 3.44Å; F342-S345 PolarHBondContact O-N 2.94Å; F342-S345 PolarHBondContact O-OG 3.41Å | ||
| 343 | D | 49.3 | Very low | 77 | Confident | 152 Ų | 152 | 61 Ų | 61 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -61 | -38.1 | -159.4 | -147.7 | 7 | 0 | 0 | 0 | 113.8 | S345 | D343-S345 PolarHBondContact O-N 2.92Š|
| 344 | E | 58.2 | Low | 77.1 | Confident | 186 Ų | 186 | 57.7 Ų | 57.7 | 87% | 0.869 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -72.1 | -8.4 | 175.6 | -63.1 | -147.1 | 133.9 | 0 | 0 | 115.2 | F342 | F342-E344 VanDerWaalsContact C-N 3.35Å; F342-E344 PolarHBondContact O-N 3.43Å |
| 345 | S | 70.2 | Confident | 77.3 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -90.6 | 2.8 | -171.9 | 73.8 | 0 | 0 | 0 | 0 | 114.8 | W34 E340 F342 D343 W385 | W34-S345 WeakPolarHBondContact CB-O 3.47Å; E340-S345 PolarHBondContact O-OG 3.26Å; F342-S345 PolarHBondContact N-OG 2.86Å; F342-S345 VanDerWaalsContact O-CB 3.3Å; F342-S345 WeakPolarHBondContact O-CB 3.44Å; F342-S345 PolarHBondContact O-N 2.94Å; F342-S345 PolarHBondContact O-OG 3.41Å; D343-S345 PolarHBondContact O-N 2.92Å; S345-W385 VanDerWaalsContact O-CZ3 3.31Å; S345-W385 WeakPolarHBondContact O-CZ3 3.45Å |
| 346 | V | 83.7 | Confident | 77.7 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -119.9 | 153.3 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | W385 | V346-W385 VanDerWaalsContact C-CH2 3.5Å; V346-W385 WeakPolarHBondContact O-CH2 3.26Å; V346-W385 WeakPolarHBondContact O-CZ2 3.37Å |
| 347 | P | 90.8 | Very high | 78.5 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 136.6 | 176.1 | -10.8 | 24.2 | 0 | 0 | 0 | 111.1 | W34 F298 N322 I364 W385 | W34-P347 HydrophobicContact CD2-CG 3.54Å; W34-P347 HydrophobicContact CE3-CG 3.65Å; W34-P347 HydrophobicContact CG-CG 4.02Å; W34-P347 HydrophobicContact CH2-CG 4.25Å; W34-P347 HydrophobicContact CZ2-CG 4.14Å; W34-P347 HydrophobicContact CZ3-CG 4.01Å; F298-P347 HydrophobicContact CZ-CB 4.02Å; F298-P347 HydrophobicContact CZ-CG 4.12Å; N322-P347 VanDerWaalsContact CB-O 3.27Å; N322-P347 WeakPolarHBondContact CB-O 3.37Å; P347-I364 HydrophobicContact CB-CD1 3.79Å; P347-I364 HydrophobicContact CG-CD1 3.74Å; P347-W385 HydrophobicContact CB-CD2 4Å; P347-W385 HydrophobicContact CB-CG 3.93Å; P347-W385 HydrophobicContact CG-CB 4.05Å; P347-W385 HydrophobicContact CG-CD2 3.77Å; P347-W385 HydrophobicContact CG-CE3 4.05Å; P347-W385 HydrophobicContact CG-CG 3.78Å |
| 348 | R | 88.8 | Confident | 79 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 150.3 | 171.3 | -57.2 | -168.6 | -53.3 | 134.3 | 15.3 | 111.4 | R350 D369 C381 | R348-R350 PolarHBondContact O-NE 3.28Å; R348-R350 PolarHBondContact O-NH2 3.18Å; R348-D369 IonicContact CZ-OD2 3.69Å; R348-D369 IonicContact NH1-OD2 2.71Å; R348-D369 PolarHBondContact NH1-OD2 3.34Å; R348-D369 IonicContact NH2-OD2 2.55Å; R348-D369 PolarHBondContact NH2-OD2 2.87Å; R348-C381 PolarHBondContact NH2-SG 3.42Å |
| 349 | A | 91.3 | Very high | 79.7 | Confident | 28 Ų | 28 | 54 Ų | 54 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 140.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C320 T321 N322 D369 | C320-A349 HydrophobicContact CB-CB 4.21Å; T321-A349 WeakPolarHBondContact O-CA 3.27Å; N322-A349 HydrophobicContact CB-CB 4.27Å; A349-D369 VanDerWaalsContact O-CA 3.3Å; A349-D369 WeakPolarHBondContact O-CA 3.4Å; A349-D369 WeakPolarHBondContact O-CB 3.25Å |
| 350 | R | 94.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -162.3 | 152.3 | -175 | 60.9 | -170.1 | 71.9 | -153.9 | 3.3 | 114.2 | F298 G300 T321 R348 H353 S366 R368 C381 D383 | F298-R350 HydrophobicContact CE1-CG 3.9Å; G300-R350 PolarHBondContact N-O 3.08Å; T321-R350 PolarHBondContact O-N 3.28Å; R348-R350 PolarHBondContact O-NE 3.28Å; R348-R350 PolarHBondContact O-NH2 3.18Å; R350-H353 HydrophobicContact CG-CB 4.27Å; R350-S366 WeakPolarHBondContact CD-O 3.5Å; R350-S366 PolarHBondContact NH1-O 2.88Å; R350-R368 CarbonylContact C-O 3.57Å; R350-R368 VanDerWaalsContact CA-O 3.26Å; R350-R368 WeakPolarHBondContact CA-O 3.49Å; R350-C381 VanDerWaalsContact CZ-SG 3.57Å; R350-C381 VanDerWaalsContact NH1-CB 3.35Å; R350-D383 IonicContact CZ-OD1 2.71Å; R350-D383 VanDerWaalsContact CZ-OD1 3.23Å; R350-D383 IonicContact NH1-OD1 3.33Å; R350-D383 PolarHBondContact NH1-OD1 3Å; R350-D383 IonicContact NH2-OD1 2.76Å; R350-D383 PolarHBondContact NH2-OD1 3.19Å; R350-D383 IonicContact NH2-OD2 2.71Å; R350-D383 PolarHBondContact NH2-OD2 2.88Å; R350-D383 VanDerWaalsContact NH2-OD2 3.11Å | ||
| 351 | A | 94.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -133.9 | 154.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L285 W301 H353 R368 | L285-A351 HydrophobicContact CB-CB 4.13Å; W301-A351 HydrophobicContact CD2-CB 4.43Å; W301-A351 HydrophobicContact CG-CB 4.02Å; A351-H353 PolarHBondContact O-N 2.74Å; A351-R368 PolarHBondContact N-O 2.87Å; A351-R368 WeakPolarHBondContact O-CG 3.4Å; A351-R368 PolarHBondContact O-N 2.81Å |
| 352 | G | 94 | Very high | 84.5 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 65.4 | 25.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H49 G50 H51 L285 | H49-G352 WeakPolarHBondContact CA-O 3.33Å; G50-G352 PolarHBondContact N-O 2.76Å; H51-G352 PolarHBondContact CE1-O 2.97Å; L285-G352 PolarHBondContact O-N 2.69Å |
| 353 | H | 95.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | trans | -79 | 166 | 169.7 | 61.6 | -78.6 | 0 | 0 | 0 | 110.9 | H286 S287 F298 G299 G300 R350 A351 S366 | H286-H353 VanDerWaalsContact CA-CE1 3.43Å; H286-H353 WeakPolarHBondContact CA-CE1 3.01Å; S287-H353 WeakPolarHBondContact CB-NE2 3.39Å; S287-H353 PolarHBondContact N-CE1 2.87Å; S287-H353 PolarHBondContact N-NE2 3.08Å; S287-H353 PolarHBondContact OG-NE2 3.22Å; F298-H353 AromaticContact CD1-NE2 3.69Å; F298-H353 PolarHBondContact O-CE1 2.74Å; F298-H353 PolarHBondContact O-NE2 2.79Å; F298-H353 VanDerWaalsContact O-NE2 3.1Å; G299-H353 VanDerWaalsContact C-CE1 3.42Å; G299-H353 WeakPolarHBondContact CA-CE1 3.05Å; G300-H353 PolarHBondContact N-CE1 3.41Å; R350-H353 HydrophobicContact CG-CB 4.27Å; A351-H353 PolarHBondContact O-N 2.74Å; H353-S366 VanDerWaalsContact CB-O 3.27Å; H353-S366 WeakPolarHBondContact CB-O 3.48Å | ||
| 354 | S | 94.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.6 | 167.1 | -81.1 | 0 | 0 | 0 | 0 | 110.8 | H51 R52 A53 I364 W365 | H51-S354 PolarHBondContact CD2-OG 3.25Å; H51-S354 PolarHBondContact NE2-N 3.34Å; H51-S354 PolarHBondContact O-OG 2.76Å; R52-S354 WeakPolarHBondContact CA-OG 3.45Å; A53-S354 PolarHBondContact N-OG 3.05Å; S354-I364 VanDerWaalsContact O-CA 3.31Å; S354-I364 WeakPolarHBondContact O-CA 3.13Å; S354-W365 PolarHBondContact N-O 3.06Å; S354-W365 PolarHBondContact O-N 2.93Å |
| 355 | A | 95.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 12% | 0.116 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | S287 N289 L362 F363 I364 | S287-A355 VanDerWaalsContact OG-CB 3.31Å; S287-A355 WeakPolarHBondContact OG-CB 3.43Å; N289-A355 PolarHBondContact ND2-O 3.32Å; N289-A355 VanDerWaalsContact ND2-O 3.14Å; N289-A355 PolarHBondContact OD1-O 2.97Å; A355-L362 HydrophobicContact CB-CD1 4.01Å; A355-F363 CarbonylContact C-O 3.54Å; A355-F363 WeakPolarHBondContact CA-O 3.46Å; A355-I364 HydrophobicContact CB-CG2 3.75Å |
| 356 | V | 95.5 | Very high | 92 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.9 | -179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | A53 A55 M60 N289 I358 F363 | A53-V356 HydrophobicContact CB-CG1 3.79Å; A53-V356 WeakPolarHBondContact O-CG1 3.2Å; A55-V356 HydrophobicContact CB-CB 4.49Å; M60-V356 HydrophobicContact CB-CG2 4.2Å; M60-V356 HydrophobicContact CE-CG2 4.2Å; M60-V356 HydrophobicContact CG-CG2 3.78Å; M60-V356 HydrophobicContact SD-CG2 3.74Å; N289-V356 WeakPolarHBondContact OD1-CA 3.49Å; V356-I358 HydrophobicContact CG2-CD1 4.16Å; V356-I358 HydrophobicContact CG2-CG1 4.33Å; V356-F363 HydrophobicContact CG2-CB 4.02Å; V356-F363 PolarHBondContact N-O 2.9Å; V356-F363 PolarHBondContact O-N 2.83Å |
| 357 | A | 93.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 18.2 Ų | 18.2 | 30% | 0.298 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N289 I291 R361 | N289-A357 PolarHBondContact OD1-N 3.29Å; I291-A357 HydrophobicContact CD1-CB 4.07Å; I291-A357 HydrophobicContact CG1-CB 3.77Å; A357-R361 WeakPolarHBondContact CA-O 3.27Å |
| 358 | I | 90.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 113.8 | 171.6 | -68.8 | 176.1 | 0 | 0 | 0 | 108 | A55 K57 E58 M60 T79 V356 S360 R361 F363 | A55-I358 HydrophobicContact CB-CD1 4.21Å; A55-I358 HydrophobicContact CB-CG1 3.7Å; K57-I358 WeakPolarHBondContact O-CG2 3.3Å; E58-I358 WeakPolarHBondContact OE2-CG2 3.48Å; M60-I358 HydrophobicContact CB-CD1 4.09Å; T79-I358 HydrophobicContact CG2-CD1 3.69Å; T79-I358 HydrophobicContact CG2-CG2 4.2Å; V356-I358 HydrophobicContact CG2-CD1 4.16Å; V356-I358 HydrophobicContact CG2-CG1 4.33Å; I358-S360 PolarHBondContact O-N 3.23Å; I358-R361 PolarHBondContact N-O 3.05Å; I358-R361 WeakPolarHBondContact O-CB 3.45Å; I358-R361 PolarHBondContact O-N 2.99Å; I358-F363 HydrophobicContact CB-CD2 4Å; I358-F363 HydrophobicContact CB-CE2 3.97Å; I358-F363 HydrophobicContact CD1-CD2 4.19Å; I358-F363 HydrophobicContact CD1-CE2 4.45Å; I358-F363 HydrophobicContact CG1-CD2 4.38Å; I358-F363 HydrophobicContact CG2-CE2 4.32Å |
| 359 | N | 82.6 | Confident | 92.3 | Very high | 94 Ų | 94 | 16.8 Ų | 16.8 | 50% | 0.503 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -124.7 | -171 | -59.3 | -64.3 | 0 | 0 | 0 | 111.3 | E58 R361 N419 | E58-N359 VanDerWaalsContact CD-ND2 3.26Å; E58-N359 PolarHBondContact OE1-ND2 2.87Å; E58-N359 PolarHBondContact OE2-ND2 2.91Å; N359-R361 VanDerWaalsContact C-N 3.35Å; N359-N419 PolarHBondContact ND2-ND2 3.41Å; N359-N419 VanDerWaalsContact ND2-ND2 3.12Å |
| 360 | S | 81.7 | Confident | 91.3 | Very high | 36 Ų | 36 | 16.2 Ų | 16.2 | 25% | 0.252 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 35.7 | 175 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | I358 T389 | I358-S360 PolarHBondContact O-N 3.23Å; S360-T389 PolarHBondContact O-N 3.25Å; S360-T389 PolarHBondContact O-OG1 3.01Å |
| 361 | R | 89.8 | Confident | 89.7 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 139.4 | 179 | -68.4 | 174.5 | 169.4 | 166.4 | -6.5 | 111.7 | A357 I358 N359 F363 F386 L387 E388 N419 T421 | A357-R361 WeakPolarHBondContact CA-O 3.27Å; I358-R361 PolarHBondContact N-O 3.05Å; I358-R361 WeakPolarHBondContact O-CB 3.45Å; I358-R361 PolarHBondContact O-N 2.99Å; N359-R361 VanDerWaalsContact C-N 3.35Å; R361-F363 HydrophobicContact CB-CD2 4.17Å; R361-F363 HydrophobicContact CB-CE2 3.79Å; R361-F386 HydrophobicContact CB-CD2 4.46Å; R361-F386 HydrophobicContact CG-CD2 4Å; R361-L387 VanDerWaalsContact CA-O 3.23Å; R361-L387 WeakPolarHBondContact CA-O 3.22Å; R361-E388 HydrophobicContact CG-CG 4.22Å; R361-E388 IonicContact CZ-OE1 3.58Å; R361-E388 IonicContact NE-OE1 3.37Å; R361-E388 PolarHBondContact NE-OE1 2.55Å; R361-E388 IonicContact NH2-OE1 2.74Å; R361-E388 PolarHBondContact NH2-OE1 2.82Å; R361-N419 PolarHBondContact NH2-O 3.02Å; R361-T421 PolarHBondContact NH2-OG1 3.21Å |
| 362 | L | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 106.1 | 167.7 | 178 | 61 | 0 | 0 | 0 | 108.6 | N289 I291 A355 I364 F386 L387 | N289-L362 HydrophobicContact CB-CD1 3.51Å; N289-L362 HydrophobicContact CB-CD2 4.42Å; N289-L362 VanDerWaalsContact CG-CD1 3.46Å; N289-L362 WeakPolarHBondContact OD1-CD1 3.29Å; I291-L362 HydrophobicContact CD1-CB 4.06Å; A355-L362 HydrophobicContact CB-CD1 4.01Å; L362-I364 HydrophobicContact CG-CG2 4.44Å; L362-F386 CarbonylContact O-C 3.57Å; L362-F386 VanDerWaalsContact O-CA 3.24Å; L362-F386 WeakPolarHBondContact O-CA 3.35Å; L362-L387 HydrophobicContact CB-CB 4.2Å; L362-L387 PolarHBondContact N-O 3Å; L362-L387 PolarHBondContact O-N 2.85Å |
| 363 | F | 95.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 141.7 | 172.4 | -73.8 | -99.6 | 0 | 0 | 0 | 109.8 | V37 M60 Y77 T79 A355 V356 I358 R361 W385 F386 | V37-F363 HydrophobicContact CG2-CE1 4.43Å; M60-F363 HydrophobicContact SD-CB 4.08Å; Y77-F363 HydrophobicContact CE1-CD1 4.41Å; Y77-F363 HydrophobicContact CE1-CE1 4.06Å; T79-F363 HydrophobicContact CG2-CD2 4.46Å; T79-F363 HydrophobicContact CG2-CE1 4Å; T79-F363 HydrophobicContact CG2-CE2 3.78Å; T79-F363 HydrophobicContact CG2-CZ 3.51Å; A355-F363 CarbonylContact C-O 3.54Å; A355-F363 WeakPolarHBondContact CA-O 3.46Å; V356-F363 HydrophobicContact CG2-CB 4.02Å; V356-F363 PolarHBondContact N-O 2.9Å; V356-F363 PolarHBondContact O-N 2.83Å; I358-F363 HydrophobicContact CB-CD2 4Å; I358-F363 HydrophobicContact CB-CE2 3.97Å; I358-F363 HydrophobicContact CD1-CD2 4.19Å; I358-F363 HydrophobicContact CD1-CE2 4.45Å; I358-F363 HydrophobicContact CG1-CD2 4.38Å; I358-F363 HydrophobicContact CG2-CE2 4.32Å; R361-F363 HydrophobicContact CB-CD2 4.17Å; R361-F363 HydrophobicContact CB-CE2 3.79Å; F363-W385 CarbonylContact C-O 3.46Å; F363-W385 WeakPolarHBondContact CA-O 3.48Å; F363-F386 HydrophobicContact CD1-CB 3.7Å; F363-F386 HydrophobicContact CD1-CD1 4.38Å; F363-F386 HydrophobicContact CD1-CG 4.38Å; F363-F386 HydrophobicContact CD2-CB 4.16Å; F363-F386 HydrophobicContact CE1-CB 3.78Å; F363-F386 AromaticContact CE1-CD1 3.82Å; F363-F386 HydrophobicContact CE1-CD1 3.82Å; F363-F386 AromaticContact CE1-CG 3.98Å; F363-F386 HydrophobicContact CE1-CG 3.98Å; F363-F386 HydrophobicContact CE2-CB 4.24Å; F363-F386 HydrophobicContact CG-CB 3.89Å; F363-F386 HydrophobicContact CZ-CB 4.05Å; F363-F386 HydrophobicContact CZ-CD1 4.28Å; F363-F386 HydrophobicContact CZ-CG 4.14Å |
| 364 | I | 95.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145 | 171 | 69 | 170 | 0 | 0 | 0 | 110.4 | W34 F298 P347 S354 A355 L362 M384 W385 | W34-I364 HydrophobicContact CH2-CD1 3.76Å; W34-I364 HydrophobicContact CH2-CG1 4.22Å; W34-I364 HydrophobicContact CH2-CG2 4.01Å; W34-I364 HydrophobicContact CZ3-CD1 3.79Å; W34-I364 HydrophobicContact CZ3-CG1 3.9Å; W34-I364 HydrophobicContact CZ3-CG2 4.21Å; F298-I364 HydrophobicContact CD1-CD1 3.87Å; F298-I364 HydrophobicContact CD1-CG2 4.45Å; F298-I364 HydrophobicContact CE1-CD1 3.39Å; F298-I364 HydrophobicContact CZ-CD1 3.9Å; P347-I364 HydrophobicContact CB-CD1 3.79Å; P347-I364 HydrophobicContact CG-CD1 3.74Å; S354-I364 VanDerWaalsContact O-CA 3.31Å; S354-I364 WeakPolarHBondContact O-CA 3.13Å; A355-I364 HydrophobicContact CB-CG2 3.75Å; L362-I364 HydrophobicContact CG-CG2 4.44Å; I364-M384 WeakPolarHBondContact O-CA 3.25Å; I364-M384 WeakPolarHBondContact O-CG 3.2Å; I364-W385 HydrophobicContact CD1-CB 4.28Å; I364-W385 HydrophobicContact CG1-CB 3.81Å; I364-W385 PolarHBondContact N-O 2.87Å; I364-W385 PolarHBondContact O-N 3.36Å |
| 365 | W | 95.2 | Very high | 81.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.6 | 179.1 | -178.4 | 66.6 | 0 | 0 | 0 | 114.1 | P45 R48 H51 M60 V62 W84 S354 D383 M384 | P45-W365 HydrophobicContact CB-CH2 3.69Å; P45-W365 HydrophobicContact CB-CZ2 3.77Å; P45-W365 HydrophobicContact CG-CH2 3.79Å; P45-W365 HydrophobicContact CG-CZ2 3.51Å; P45-W365 HydrophobicContact CG-CZ3 4.48Å; R48-W365 HydrophobicContact CG-CH2 3.74Å; R48-W365 HydrophobicContact CG-CZ3 3.85Å; H51-W365 AromaticContact CD2-CE3 3.42Å; H51-W365 VanDerWaalsContact CD2-CE3 3.42Å; H51-W365 AromaticContact CD2-CZ3 3.45Å; H51-W365 VanDerWaalsContact CD2-CZ3 3.45Å; H51-W365 WeakPolarHBondContact CD2-CZ3 3.42Å; H51-W365 AromaticContact CG-CZ3 3.99Å; H51-W365 AromaticContact NE2-CE3 3.34Å; H51-W365 VanDerWaalsContact NE2-CE3 3.34Å; H51-W365 AromaticContact NE2-CZ3 3.61Å; H51-W365 PolarHBondContact NE2-O 3.34Å; M60-W365 HydrophobicContact CE-CB 3.77Å; V62-W365 HydrophobicContact CG1-CE3 3.79Å; V62-W365 HydrophobicContact CG1-CZ3 3.66Å; W84-W365 HydrophobicContact CH2-CD2 4.48Å; S354-W365 PolarHBondContact N-O 3.06Å; S354-W365 PolarHBondContact O-N 2.93Å; W365-D383 VanDerWaalsContact CD1-O 3.24Å; W365-M384 HydrophobicContact CB-CG 4.36Å; W365-M384 HydrophobicContact CB-SD 4.5Å |
| 366 | S | 94.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 51.4 | -144.1 | 177.1 | -154.7 | 0 | 0 | 0 | 0 | 114.7 | R48 R350 H353 C381 D383 | R48-S366 PolarHBondContact N-OG 2.86Å; R48-S366 WeakPolarHBondContact O-CB 3.33Å; R48-S366 PolarHBondContact O-OG 2.82Å; R350-S366 WeakPolarHBondContact CD-O 3.5Å; R350-S366 PolarHBondContact NH1-O 2.88Å; H353-S366 VanDerWaalsContact CB-O 3.27Å; H353-S366 WeakPolarHBondContact CB-O 3.48Å; S366-C381 VanDerWaalsContact CA-O 3.27Å; S366-C381 WeakPolarHBondContact CA-O 3.38Å; S366-C381 WeakPolarHBondContact CB-O 3.48Å; S366-C381 PolarHBondContact OG-O 3.38Å; S366-D383 PolarHBondContact N-O 2.8Å | ||
| 367 | G | 93.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | 92.2 | 155.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | R48 C380 C381 | R48-G367 PolarHBondContact O-N 2.82Å; G367-C380 WeakPolarHBondContact O-CA 3.23Å; G367-C381 WeakPolarHBondContact O-CB 3.33Å; G367-C381 PolarHBondContact O-N 2.91Å | ||
| 368 | R | 90.4 | Very high | 75.3 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 132.4 | -175.7 | 54.3 | 178.4 | 174.4 | 166.1 | 1.6 | 112.2 | H49 C320 R350 A351 V379 | H49-R368 HydrophobicContact CB-CB 4.27Å; H49-R368 HydrophobicContact CB-CG 4.12Å; C320-R368 PolarHBondContact SG-O 3.09Å; R350-R368 CarbonylContact C-O 3.57Å; R350-R368 VanDerWaalsContact CA-O 3.26Å; R350-R368 WeakPolarHBondContact CA-O 3.49Å; A351-R368 PolarHBondContact N-O 2.87Å; A351-R368 WeakPolarHBondContact O-CG 3.4Å; A351-R368 PolarHBondContact O-N 2.81Å; R368-V379 WeakPolarHBondContact CA-O 3.32Å |
| 369 | D | 84.3 | Confident | 74.6 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | trans | -85.4 | -12.9 | -175 | 64.2 | 20.7 | 0 | 0 | 0 | 114.9 | C320 R348 A349 V379 | C320-D369 VanDerWaalsContact CB-O 3.3Å; C320-D369 WeakPolarHBondContact CB-O 3.14Å; R348-D369 IonicContact CZ-OD2 3.69Å; R348-D369 IonicContact NH1-OD2 2.71Å; R348-D369 PolarHBondContact NH1-OD2 3.34Å; R348-D369 IonicContact NH2-OD2 2.55Å; R348-D369 PolarHBondContact NH2-OD2 2.87Å; A349-D369 VanDerWaalsContact O-CA 3.3Å; A349-D369 WeakPolarHBondContact O-CA 3.4Å; A349-D369 WeakPolarHBondContact O-CB 3.25Å; D369-V379 PolarHBondContact N-O 2.84Å | ||
| 370 | G | 71.7 | Confident | 74.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | trans | 172 | -164.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 371 | Y | 61 | Low | 75.3 | Confident | 111 Ų | 111 | 57.6 Ų | 57.6 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | trans | -141.6 | 117.5 | 165.6 | 177.6 | -117.2 | 0 | 0 | 0 | 107.9 | K373 Q378 | Y371-K373 HydrophobicContact CD1-CG 4.34Å; Y371-K373 HydrophobicContact CE1-CG 3.59Å; Y371-Q378 HydrophobicContact CD2-CG 4.04Å; Y371-Q378 HydrophobicContact CE2-CG 4.44Å | ||
| 372 | R | 55.8 | Low | 75.2 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | trans | -110.3 | 100.2 | 175.9 | -72.9 | -176.7 | 172.5 | -162.1 | -5.4 | 108.1 | A374 W375 N376 | R372-A374 PolarHBondContact O-N 2.82Å; R372-A374 VanDerWaalsContact O-N 3.12Å; R372-W375 HydrophobicContact CB-CB 4.33Å; R372-W375 HydrophobicContact CB-CG 4.46Å; R372-W375 VanDerWaalsContact NH1-CZ3 3.33Å; R372-W375 PolarHBondContact O-N 2.85Å; R372-N376 PolarHBondContact O-N 3.08Å | ||
| 373 | K | 50.2 | Low | 75.1 | Confident | 150 Ų | 150 | 66.1 Ų | 66.1 | 65% | 0.652 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -43.7 | -46.8 | 175.9 | -78 | -178.4 | 177.4 | 174.3 | 0 | 110.9 | E315 Y371 W375 N376 | E315-K373 IonicContact OE2-NZ 2.82Å; Y371-K373 HydrophobicContact CD1-CG 4.34Å; Y371-K373 HydrophobicContact CE1-CG 3.59Å; K373-W375 PolarHBondContact O-N 3Å; K373-W375 VanDerWaalsContact O-N 3.11Å; K373-N376 PolarHBondContact O-N 2.8Å |
| 374 | A | 45.3 | Very low | 75 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 79% | 0.785 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -60.2 | -18.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R372 | R372-A374 PolarHBondContact O-N 2.82Å; R372-A374 VanDerWaalsContact O-N 3.12Å |
| 375 | W | 46.8 | Very low | 75 | Confident | 173 Ų | 173 | 66.9 Ų | 66.9 | 66% | 0.655 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -114.5 | -4.1 | -178.3 | -68 | -8.3 | 0 | 0 | 0 | 113.4 | R372 K373 N377 | R372-W375 HydrophobicContact CB-CB 4.33Å; R372-W375 HydrophobicContact CB-CG 4.46Å; R372-W375 VanDerWaalsContact NH1-CZ3 3.33Å; R372-W375 PolarHBondContact O-N 2.85Å; K373-W375 PolarHBondContact O-N 3Å; K373-W375 VanDerWaalsContact O-N 3.11Å; W375-N377 PolarHBondContact O-N 3.45Å; W375-N377 PolarHBondContact O-ND2 3.08Å |
| 376 | N | 48.9 | Very low | 74.8 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 32% | 0.324 | S | S | * | . | trans | 50.8 | -5.6 | -175.6 | -146.1 | 18.3 | 0 | 0 | 0 | 117.7 | R372 K373 | R372-N376 PolarHBondContact O-N 3.08Å; K373-N376 PolarHBondContact O-N 2.8Å | ||
| 377 | N | 52.2 | Low | 74.7 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | trans | -94.2 | 127.3 | -173.8 | -73.2 | -35.9 | 0 | 0 | 0 | 112.2 | W375 | W375-N377 PolarHBondContact O-N 3.45Å; W375-N377 PolarHBondContact O-ND2 3.08Å | ||
| 378 | Q | 61.6 | Low | 74.4 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 35% | 0.346 | 32% | 0.324 | S | S | . | . | trans | -90.2 | 117.2 | 166.5 | -65.3 | -167.9 | 66.3 | 0 | 0 | 109.3 | N67 Y371 | N67-Q378 PolarHBondContact ND2-O 3.41Å; N67-Q378 PolarHBondContact OD1-O 2.65Å; Y371-Q378 HydrophobicContact CD2-CG 4.04Å; Y371-Q378 HydrophobicContact CE2-CG 4.44Å | ||
| 379 | V | 76 | Confident | 74.2 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -105.2 | 110 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | R368 D369 | R368-V379 WeakPolarHBondContact CA-O 3.32Å; D369-V379 PolarHBondContact N-O 2.84Å | ||
| 380 | C | 88.5 | Confident | 74 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -84 | 132.6 | 168.1 | -75.9 | 0 | 0 | 0 | 0 | 111.6 | P47 N67 G367 K382 | P47-C380 HydrophobicContact CB-CB 3.75Å; N67-C380 PolarHBondContact OD1-SG 3.42Å; G367-C380 WeakPolarHBondContact O-CA 3.23Å; C380-K382 PolarHBondContact O-N 2.86Å |
| 381 | C | 89.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -55.4 | 129.7 | 173.7 | -76.6 | 0 | 0 | 0 | 0 | 111.1 | R348 R350 S366 G367 D383 | R348-C381 PolarHBondContact NH2-SG 3.42Å; R350-C381 VanDerWaalsContact CZ-SG 3.57Å; R350-C381 VanDerWaalsContact NH1-CB 3.35Å; S366-C381 VanDerWaalsContact CA-O 3.27Å; S366-C381 WeakPolarHBondContact CA-O 3.38Å; S366-C381 WeakPolarHBondContact CB-O 3.48Å; S366-C381 PolarHBondContact OG-O 3.38Å; G367-C381 WeakPolarHBondContact O-CB 3.33Å; G367-C381 PolarHBondContact O-N 2.91Å; C381-D383 VanDerWaalsContact C-N 3.32Å; C381-D383 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 382 | K | 89.1 | Confident | 74.5 | Confident | 176 Ų | 176 | 66 Ų | 66 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | trans | -89.4 | 4.6 | 179.5 | -43.5 | -156.7 | 176.4 | -178.6 | 0 | 113.7 | P47 C380 | P47-K382 HydrophobicContact CB-CG 4.24Å; P47-K382 HydrophobicContact CG-CB 3.94Å; P47-K382 HydrophobicContact CG-CD 3.82Å; P47-K382 HydrophobicContact CG-CG 3.52Å; C380-K382 PolarHBondContact O-N 2.86Å | ||
| 383 | D | 91.8 | Very high | 75.1 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | trans | -105.7 | 158 | -167.3 | 60.3 | 6.8 | 0 | 0 | 0 | 114 | R350 W365 S366 C381 W385 | R350-D383 IonicContact CZ-OD1 2.71Å; R350-D383 VanDerWaalsContact CZ-OD1 3.23Å; R350-D383 IonicContact NH1-OD1 3.33Å; R350-D383 PolarHBondContact NH1-OD1 3Å; R350-D383 IonicContact NH2-OD1 2.76Å; R350-D383 PolarHBondContact NH2-OD1 3.19Å; R350-D383 IonicContact NH2-OD2 2.71Å; R350-D383 PolarHBondContact NH2-OD2 2.88Å; R350-D383 VanDerWaalsContact NH2-OD2 3.11Å; W365-D383 VanDerWaalsContact CD1-O 3.24Å; S366-D383 PolarHBondContact N-O 2.8Å; C381-D383 VanDerWaalsContact C-N 3.32Å; C381-D383 WeakPolarHBondContact CB-OD1 3.47Å; D383-W385 PolarHBondContact OD2-NE1 2.84Å | ||
| 384 | M | 94 | Very high | 76 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.4 | 168.6 | -172.5 | 157.3 | 53.4 | 0 | 0 | 108.7 | V37 M60 Y77 W84 I364 W365 | V37-M384 HydrophobicContact CB-CB 4.1Å; V37-M384 HydrophobicContact CB-CE 4.13Å; V37-M384 HydrophobicContact CB-CG 4.32Å; V37-M384 HydrophobicContact CG1-CE 3.96Å; V37-M384 HydrophobicContact CG2-CB 4.21Å; V37-M384 HydrophobicContact CG2-CE 4.14Å; V37-M384 HydrophobicContact CG2-CG 3.9Å; V37-M384 PolarHBondContact N-O 3.21Å; M60-M384 HydrophobicContact SD-SD 4.22Å; Y77-M384 HydrophobicContact CD1-CE 3.63Å; Y77-M384 HydrophobicContact CD1-SD 3.91Å; Y77-M384 HydrophobicContact CD2-CE 3.61Å; Y77-M384 HydrophobicContact CE1-CE 3.57Å; Y77-M384 HydrophobicContact CE1-SD 4.14Å; Y77-M384 HydrophobicContact CE2-CE 3.55Å; Y77-M384 HydrophobicContact CG-CE 3.65Å; Y77-M384 HydrophobicContact CG-SD 4.25Å; W84-M384 HydrophobicContact CH2-SD 4.37Å; W84-M384 HydrophobicContact CZ2-CE 3.68Å; W84-M384 HydrophobicContact CZ2-SD 3.74Å; I364-M384 WeakPolarHBondContact O-CA 3.25Å; I364-M384 WeakPolarHBondContact O-CG 3.2Å; W365-M384 HydrophobicContact CB-CG 4.36Å; W365-M384 HydrophobicContact CB-SD 4.5Å |
| 385 | W | 94.1 | Very high | 77 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.038 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.1 | 177.9 | -66.1 | 78.1 | 0 | 0 | 0 | 110 | W34 K35 K36 S345 V346 P347 F363 I364 D383 | W34-W385 HydrophobicContact CB-CE3 4.05Å; W34-W385 HydrophobicContact CB-CZ3 4.28Å; W34-W385 HydrophobicContact CE3-CB 4.03Å; W34-W385 HydrophobicContact CZ3-CB 4.24Å; K35-W385 VanDerWaalsContact C-CE3 3.42Å; K35-W385 CarbonylContact O-C 3.54Å; K35-W385 VanDerWaalsContact O-CA 3.3Å; K35-W385 WeakPolarHBondContact O-CA 3.45Å; K36-W385 HydrophobicContact CB-CD2 3.94Å; K36-W385 HydrophobicContact CB-CE3 3.83Å; K36-W385 HydrophobicContact CB-CH2 3.89Å; K36-W385 HydrophobicContact CB-CZ2 4Å; K36-W385 HydrophobicContact CB-CZ3 3.8Å; K36-W385 HydrophobicContact CD-CH2 4.19Å; K36-W385 HydrophobicContact CD-CZ2 3.79Å; K36-W385 HydrophobicContact CG-CD2 4.15Å; K36-W385 HydrophobicContact CG-CH2 4.29Å; K36-W385 HydrophobicContact CG-CZ2 3.9Å; S345-W385 VanDerWaalsContact O-CZ3 3.31Å; S345-W385 WeakPolarHBondContact O-CZ3 3.45Å; V346-W385 VanDerWaalsContact C-CH2 3.5Å; V346-W385 WeakPolarHBondContact O-CH2 3.26Å; V346-W385 WeakPolarHBondContact O-CZ2 3.37Å; P347-W385 HydrophobicContact CB-CD2 4Å; P347-W385 HydrophobicContact CB-CG 3.93Å; P347-W385 HydrophobicContact CG-CB 4.05Å; P347-W385 HydrophobicContact CG-CD2 3.77Å; P347-W385 HydrophobicContact CG-CE3 4.05Å; P347-W385 HydrophobicContact CG-CG 3.78Å; F363-W385 CarbonylContact C-O 3.46Å; F363-W385 WeakPolarHBondContact CA-O 3.48Å; I364-W385 HydrophobicContact CD1-CB 4.28Å; I364-W385 HydrophobicContact CG1-CB 3.81Å; I364-W385 PolarHBondContact N-O 2.87Å; I364-W385 PolarHBondContact O-N 3.36Å; D383-W385 PolarHBondContact OD2-NE1 2.84Å |
| 386 | F | 92.5 | Very high | 77.4 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.057 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.8 | 162.3 | 62.8 | -84.8 | 0 | 0 | 0 | 111.9 | W34 K35 V37 R361 L362 F363 E388 | W34-F386 CarbonylContact C-O 3.55Å; W34-F386 WeakPolarHBondContact CA-O 3.22Å; K35-F386 HydrophobicContact CB-CD1 4.23Å; K35-F386 HydrophobicContact CB-CD2 4.34Å; K35-F386 HydrophobicContact CB-CE1 3.77Å; K35-F386 HydrophobicContact CB-CE2 3.91Å; K35-F386 HydrophobicContact CB-CG 4.5Å; K35-F386 HydrophobicContact CB-CZ 3.61Å; K35-F386 HydrophobicContact CD-CE2 3.67Å; K35-F386 HydrophobicContact CD-CZ 3.58Å; K35-F386 HydrophobicContact CG-CE2 4.31Å; K35-F386 HydrophobicContact CG-CZ 4.22Å; K35-F386 PolarHBondContact N-O 2.76Å; K35-F386 PolarHBondContact O-N 2.08Å; V37-F386 HydrophobicContact CG2-CD1 3.77Å; V37-F386 HydrophobicContact CG2-CE1 4.13Å; R361-F386 HydrophobicContact CB-CD2 4.46Å; R361-F386 HydrophobicContact CG-CD2 4Å; L362-F386 CarbonylContact O-C 3.57Å; L362-F386 VanDerWaalsContact O-CA 3.24Å; L362-F386 WeakPolarHBondContact O-CA 3.35Å; F363-F386 HydrophobicContact CD1-CB 3.7Å; F363-F386 HydrophobicContact CD1-CD1 4.38Å; F363-F386 HydrophobicContact CD1-CG 4.38Å; F363-F386 HydrophobicContact CD2-CB 4.16Å; F363-F386 HydrophobicContact CE1-CB 3.78Å; F363-F386 AromaticContact CE1-CD1 3.82Å; F363-F386 HydrophobicContact CE1-CD1 3.82Å; F363-F386 AromaticContact CE1-CG 3.98Å; F363-F386 HydrophobicContact CE1-CG 3.98Å; F363-F386 HydrophobicContact CE2-CB 4.24Å; F363-F386 HydrophobicContact CG-CB 3.89Å; F363-F386 HydrophobicContact CZ-CB 4.05Å; F363-F386 HydrophobicContact CZ-CD1 4.28Å; F363-F386 HydrophobicContact CZ-CG 4.14Å; F386-E388 HydrophobicContact CD2-CG 3.89Å; F386-E388 HydrophobicContact CE2-CG 3.7Å |
| 387 | L | 91.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.9 | 168.1 | -170.7 | 71.7 | 0 | 0 | 0 | 108.2 | V32 W34 Y296 L324 R361 L362 T389 | V32-L387 HydrophobicContact CB-CD1 3.77Å; V32-L387 HydrophobicContact CB-CD2 4.23Å; V32-L387 HydrophobicContact CB-CG 4.04Å; V32-L387 HydrophobicContact CG2-CD1 3.86Å; V32-L387 HydrophobicContact CG2-CD2 4.41Å; V32-L387 HydrophobicContact CG2-CG 4.48Å; W34-L387 HydrophobicContact CD2-CB 4.22Å; W34-L387 HydrophobicContact CD2-CD1 3.75Å; W34-L387 HydrophobicContact CE3-CB 3.86Å; W34-L387 HydrophobicContact CE3-CD1 4.26Å; W34-L387 HydrophobicContact CG-CD1 3.96Å; W34-L387 HydrophobicContact CH2-CB 4.03Å; W34-L387 HydrophobicContact CZ2-CB 4.38Å; W34-L387 HydrophobicContact CZ2-CD1 4.21Å; W34-L387 HydrophobicContact CZ3-CB 3.76Å; Y296-L387 HydrophobicContact CD1-CD2 3.98Å; Y296-L387 HydrophobicContact CE1-CD2 4.26Å; L324-L387 HydrophobicContact CD1-CD2 4.18Å; L324-L387 HydrophobicContact CD2-CD1 3.83Å; L324-L387 HydrophobicContact CD2-CD2 3.64Å; L324-L387 HydrophobicContact CD2-CG 4.41Å; R361-L387 VanDerWaalsContact CA-O 3.23Å; R361-L387 WeakPolarHBondContact CA-O 3.22Å; L362-L387 HydrophobicContact CB-CB 4.2Å; L362-L387 PolarHBondContact N-O 3Å; L362-L387 PolarHBondContact O-N 2.85Å; L387-T389 HydrophobicContact CD2-CG2 3.89Å; L387-T389 HydrophobicContact CG-CG2 4.15Å |
| 388 | E | 86.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.7 | 162.3 | -66.3 | -177.3 | 157.9 | 0 | 0 | 108.5 | V32 K33 K35 R361 F386 N465 A466 C467 | V32-E388 WeakPolarHBondContact CA-O 3.22Å; K33-E388 PolarHBondContact N-O 3.4Å; K33-E388 PolarHBondContact O-N 2.9Å; K35-E388 WeakPolarHBondContact CE-OE2 3.43Å; K35-E388 IonicContact NZ-OE1 3.61Å; K35-E388 PolarHBondContact NZ-OE1 2.83Å; K35-E388 IonicContact NZ-OE2 3.37Å; K35-E388 PolarHBondContact NZ-OE2 3.21Å; R361-E388 HydrophobicContact CG-CG 4.22Å; R361-E388 IonicContact CZ-OE1 3.58Å; R361-E388 IonicContact NE-OE1 3.37Å; R361-E388 PolarHBondContact NE-OE1 2.55Å; R361-E388 IonicContact NH2-OE1 2.74Å; R361-E388 PolarHBondContact NH2-OE1 2.82Å; F386-E388 HydrophobicContact CD2-CG 3.89Å; F386-E388 HydrophobicContact CE2-CG 3.7Å; E388-N465 VanDerWaalsContact OE2-CB 3.31Å; E388-N465 WeakPolarHBondContact OE2-CB 3.35Å; E388-A466 VanDerWaalsContact OE2-CB 3.3Å; E388-A466 WeakPolarHBondContact OE2-CB 3.34Å; E388-A466 PolarHBondContact OE2-N 3.13Å; E388-C467 VanDerWaalsContact C-SG 3.5Å; E388-C467 PolarHBondContact O-SG 3.03Å |
| 389 | T | 86.5 | Confident | 78.4 | Confident | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | trans | -108.9 | -9.5 | -174.9 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | I291 Y296 S360 L387 | I291-T389 HydrophobicContact CD1-CG2 4.08Å; Y296-T389 HydrophobicContact CD2-CG2 4.4Å; Y296-T389 HydrophobicContact CE1-CG2 4.11Å; Y296-T389 HydrophobicContact CE2-CG2 3.88Å; S360-T389 PolarHBondContact O-N 3.25Å; S360-T389 PolarHBondContact O-OG1 3.01Å; L387-T389 HydrophobicContact CD2-CG2 3.89Å; L387-T389 HydrophobicContact CG-CG2 4.15Å | ||
| 390 | A | 79.3 | Confident | 77.7 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -152.9 | 157.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N465 C467 | A390-N465 PolarHBondContact O-ND2 3.33Å; A390-C467 VanDerWaalsContact C-CB 3.5Å |
| 391 | K | 74.8 | Confident | 76.2 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -62 | 152.3 | 167.7 | -71.7 | 165.3 | 178.3 | 173.7 | 0 | 110.3 | C467 R469 | K391-C467 WeakPolarHBondContact CE-O 3.5Å; K391-C467 HydrophobicContact CG-CB 4.13Å; K391-C467 WeakPolarHBondContact CG-O 3.26Å; K391-R469 WeakPolarHBondContact CD-O 3.4Å |
| 392 | P | 68.8 | Low | 74.6 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 151.6 | 178.3 | -23.6 | 36.9 | 0 | 0 | 0 | 112.4 | A463 N465 G468 G470 P471 | P392-A463 HydrophobicContact CB-CB 3.46Å; P392-A463 VanDerWaalsContact CB-CB 3.46Å; P392-A463 HydrophobicContact CG-CB 3.92Å; P392-N465 WeakPolarHBondContact CD-OD1 3.39Å; P392-N465 HydrophobicContact CG-CB 3.81Å; P392-G468 WeakPolarHBondContact CD-O 3.37Å; P392-G470 WeakPolarHBondContact O-CA 3.28Å; P392-P471 WeakPolarHBondContact O-CD 3.25Å |
| 393 | P | 67.9 | Low | 73.1 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 65% | 0.649 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 166.1 | 169 | 30 | -35.5 | 0 | 0 | 0 | 111.7 | ||
| 394 | A | 70.1 | Confident | 71.8 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 128.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | P471 | A394-P471 HydrophobicContact CB-CB 3.96Å; A394-P471 HydrophobicContact CB-CG 4.37Å |
| 395 | P | 65.4 | Low | 70.4 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 151.8 | 170.4 | -15.6 | 29.4 | 0 | 0 | 0 | 110.6 | V461 A463 S473 | P395-V461 HydrophobicContact CB-CG2 3.85Å; P395-V461 HydrophobicContact CG-CG2 4.14Å; P395-A463 HydrophobicContact CG-CB 4.26Å; P395-S473 WeakPolarHBondContact O-CA 3.21Å; P395-S473 WeakPolarHBondContact O-CB 3.35Å |
| 396 | P | 57.2 | Low | 69.1 | Low | 62 Ų | 62 | 57.5 Ų | 57.5 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 158.6 | 174.3 | 31 | -36.2 | 0 | 0 | 0 | 111.2 | V398 I413 C417 | P396-V398 PolarHBondContact O-N 2.91Å; P396-I413 HydrophobicContact CG-CG2 3.67Å; P396-C417 WeakPolarHBondContact CD-SG 3.4Å |
| 397 | R | 62.6 | Low | 67.5 | Low | 156 Ų | 156 | 59 Ų | 59 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 134 | -179.1 | -169.2 | 174 | -165.1 | -163.4 | 8.5 | 112 | E474 F475 S476 | R397-E474 HydrophobicContact CB-CB 4.33Å; R397-E474 HydrophobicContact CG-CB 4.2Å; R397-F475 PolarHBondContact NE-O 3.28Å; R397-F475 PolarHBondContact NH2-O 3.23Å; R397-S476 WeakPolarHBondContact CG-OG 3.5Å |
| 398 | V | 62.6 | Low | 66 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 136.7 | 180 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | P396 R410 V461 S476 F478 | P396-V398 PolarHBondContact O-N 2.91Å; V398-R410 HydrophobicContact CG1-CB 4.46Å; V398-V461 HydrophobicContact CG2-CG1 4.13Å; V398-V461 HydrophobicContact CG2-CG2 3.8Å; V398-S476 PolarHBondContact N-OG 3.31Å; V398-S476 WeakPolarHBondContact O-CB 3.48Å; V398-S476 PolarHBondContact O-OG 2.58Å; V398-F478 HydrophobicContact CG1-CE2 4.34Å |
| 399 | Q | 58.5 | Low | 64.7 | Low | 113 Ų | 113 | 64.9 Ų | 64.9 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | trans | -111.7 | 139.3 | 173.7 | -68.5 | -176 | -6.1 | 0 | 0 | 110.7 | R410 K411 | Q399-R410 WeakPolarHBondContact O-CA 3.47Å; Q399-K411 HydrophobicContact CB-CB 4.03Å; Q399-K411 PolarHBondContact O-N 2.86Å | ||
| 400 | L | 61.4 | Low | 62.9 | Low | 55 Ų | 55 | 70.2 Ų | 70.2 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 148.9 | 172 | -164 | 76.1 | 0 | 0 | 0 | 110.1 | R402 A403 L408 E409 F478 | L400-R402 WeakPolarHBondContact CD1-O 3.26Å; L400-A403 HydrophobicContact CD2-CB 4.22Å; L400-L408 HydrophobicContact CD1-CB 3.92Å; L400-L408 HydrophobicContact CD1-CD2 3.84Å; L400-L408 HydrophobicContact CD1-CG 4.42Å; L400-L408 HydrophobicContact CD2-CD2 4.37Å; L400-E409 CarbonylContact C-O 3.51Å; L400-E409 WeakPolarHBondContact CA-O 3.41Å; L400-E409 WeakPolarHBondContact CD1-O 3.3Å; L400-F478 HydrophobicContact CB-CD1 3.85Å; L400-F478 HydrophobicContact CB-CD2 4.22Å; L400-F478 HydrophobicContact CB-CE1 3.68Å; L400-F478 HydrophobicContact CB-CE2 4.05Å; L400-F478 HydrophobicContact CB-CG 4.13Å; L400-F478 HydrophobicContact CB-CZ 3.77Å; L400-F478 HydrophobicContact CD1-CB 4.1Å; L400-F478 HydrophobicContact CD1-CD1 4.35Å; L400-F478 HydrophobicContact CD1-CD2 3.61Å; L400-F478 HydrophobicContact CD1-CE2 4.08Å; L400-F478 HydrophobicContact CD1-CG 3.78Å; L400-F478 HydrophobicContact CD2-CB 4.32Å; L400-F478 HydrophobicContact CD2-CD1 4.24Å; L400-F478 HydrophobicContact CD2-CG 4.25Å; L400-F478 HydrophobicContact CG-CD1 4.39Å; L400-F478 HydrophobicContact CG-CD2 4.43Å; L400-F478 HydrophobicContact CG-CG 4.28Å |
| 401 | S | 56.3 | Low | 61.3 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -32 | 165.8 | 52.7 | 0 | 0 | 0 | 0 | 113 | E409 R410 | S401-E409 PolarHBondContact N-O 2.72Å; S401-E409 WeakPolarHBondContact OG-CB 3.44Å; S401-E409 PolarHBondContact OG-O 2.85Å; S401-R410 VanDerWaalsContact OG-C 3.3Å; S401-R410 PolarHBondContact OG-O 3.08Å |
| 402 | R | 55.3 | Low | 59.6 | Low | 124 Ų | 124 | 77.6 Ų | 77.6 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 148.2 | -178.3 | -162.7 | 176.6 | -172.5 | 160.5 | 3.3 | 111.4 | L400 E409 | L400-R402 WeakPolarHBondContact CD1-O 3.26Å; R402-E409 HydrophobicContact CB-CB 3.9Å; R402-E409 HydrophobicContact CB-CG 3.98Å; R402-E409 VanDerWaalsContact CB-OE2 3.27Å; R402-E409 WeakPolarHBondContact CB-OE2 3.36Å; R402-E409 PolarHBondContact O-N 3.1Å |
| 403 | A | 58.2 | Low | 58.2 | Low | 36 Ų | 36 | 80 Ų | 80 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L400 L408 | L400-A403 HydrophobicContact CD2-CB 4.22Å; A403-L408 HydrophobicContact CB-CD2 3.59Å |
| 404 | T | 63.9 | Low | 56.5 | Low | 37 Ų | 37 | 79.4 Ų | 79.4 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | trans | -131.5 | -166.5 | 165.7 | 72 | 0 | 0 | 0 | 0 | 108.9 | S406 S407 T480 C481 | T404-S406 VanDerWaalsContact C-N 3.3Å; T404-S406 PolarHBondContact OG1-N 2.79Å; T404-S406 VanDerWaalsContact OG1-N 3.12Å; T404-S407 WeakPolarHBondContact CG2-OG 3.38Å; T404-S407 PolarHBondContact N-O 3.03Å; T404-S407 PolarHBondContact OG1-N 3.29Å; T404-S407 PolarHBondContact OG1-OG 3.4Å; T404-T480 CarbonylContact O-C 3.6Å; T404-T480 WeakPolarHBondContact O-CA 3.47Å; T404-T480 WeakPolarHBondContact O-CB 3.11Å; T404-C481 PolarHBondContact O-N 2.84Å | ||
| 405 | F | 65.8 | Low | 54.9 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -73.6 | -21.3 | 169.9 | 59.4 | -94.1 | 0 | 0 | 0 | 112.9 | P453 | F405-P453 HydrophobicContact CB-CB 4.21Å; F405-P453 HydrophobicContact CB-CG 4.19Å; F405-P453 VanDerWaalsContact O-CA 3.29Å; F405-P453 WeakPolarHBondContact O-CA 3.48Å |
| 406 | S | 65.3 | Low | 53.5 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -125.9 | -7.1 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | T404 L451 | T404-S406 VanDerWaalsContact C-N 3.3Å; T404-S406 PolarHBondContact OG1-N 2.79Å; T404-S406 VanDerWaalsContact OG1-N 3.12Å; S406-L451 WeakPolarHBondContact CA-O 3.33Å; S406-L451 WeakPolarHBondContact O-CB 3.48Å |
| 407 | S | 60.7 | Low | 52.4 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | trans | -140.9 | 151.9 | -173.8 | 69.9 | 0 | 0 | 0 | 0 | 114 | T404 | T404-S407 WeakPolarHBondContact CG2-OG 3.38Å; T404-S407 PolarHBondContact N-O 3.03Å; T404-S407 PolarHBondContact OG1-N 3.29Å; T404-S407 PolarHBondContact OG1-OG 3.4Å | ||
| 408 | L | 59.5 | Low | 51.2 | Low | 31 Ų | 31 | 80.7 Ų | 80.7 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 109.1 | 175.6 | -70.2 | 175.8 | 0 | 0 | 0 | 109.3 | L400 A403 L451 Y457 F459 F478 T480 | L400-L408 HydrophobicContact CD1-CB 3.92Å; L400-L408 HydrophobicContact CD1-CD2 3.84Å; L400-L408 HydrophobicContact CD1-CG 4.42Å; L400-L408 HydrophobicContact CD2-CD2 4.37Å; A403-L408 HydrophobicContact CB-CD2 3.59Å; L408-L451 HydrophobicContact CB-CD1 3.76Å; L408-L451 HydrophobicContact CD1-CD1 3.75Å; L408-L451 HydrophobicContact CG-CD1 3.56Å; L408-Y457 HydrophobicContact CD1-CD2 4.09Å; L408-Y457 HydrophobicContact CD1-CG 4.43Å; L408-F459 HydrophobicContact CB-CZ 4.41Å; L408-F459 HydrophobicContact CD1-CE2 3.76Å; L408-F459 HydrophobicContact CD1-CZ 3.72Å; L408-F478 HydrophobicContact CD1-CB 3.94Å; L408-F478 HydrophobicContact CD2-CB 4.15Å; L408-T480 HydrophobicContact CG-CG2 4.27Å |
| 409 | E | 58 | Low | 50 | Low | 92 Ų | 92 | 82.6 Ų | 82.6 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.6 | 178.7 | -62.2 | 178.2 | 177.5 | 0 | 0 | 111.6 | L400 S401 R402 | L400-E409 CarbonylContact C-O 3.51Å; L400-E409 WeakPolarHBondContact CA-O 3.41Å; L400-E409 WeakPolarHBondContact CD1-O 3.3Å; S401-E409 PolarHBondContact N-O 2.72Å; S401-E409 WeakPolarHBondContact OG-CB 3.44Å; S401-E409 PolarHBondContact OG-O 2.85Å; R402-E409 HydrophobicContact CB-CB 3.9Å; R402-E409 HydrophobicContact CB-CG 3.98Å; R402-E409 VanDerWaalsContact CB-OE2 3.27Å; R402-E409 WeakPolarHBondContact CB-OE2 3.36Å; R402-E409 PolarHBondContact O-N 3.1Å |
| 410 | R | 50.6 | Low | 48.9 | Very low | 126 Ų | 126 | 77.8 Ų | 77.8 | 48% | 0.475 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.9 | 176.7 | 64 | 178.4 | 177.7 | 149.9 | 0.5 | 112.5 | V398 Q399 S401 | V398-R410 HydrophobicContact CG1-CB 4.46Å; Q399-R410 WeakPolarHBondContact O-CA 3.47Å; S401-R410 VanDerWaalsContact OG-C 3.3Å; S401-R410 PolarHBondContact OG-O 3.08Å |
| 411 | K | 44.8 | Very low | 47.4 | Very low | 118 Ų | 118 | 79.6 Ų | 79.6 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 140.4 | 165.6 | -159.8 | 172.7 | -177.7 | 179.4 | 0 | 109 | Q399 I413 | Q399-K411 HydrophobicContact CB-CB 4.03Å; Q399-K411 PolarHBondContact O-N 2.86Å; K411-I413 PolarHBondContact O-N 3.34Å |
| 412 | R | 39.3 | Very low | 46.4 | Very low | 211 Ų | 211 | 82.7 Ų | 82.7 | 80% | 0.796 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 121.1 | 178.6 | -78.9 | -177.7 | 173 | 178.5 | -0.5 | 109.9 | ||
| 413 | I | 38.7 | Very low | 45.3 | Very low | 59 Ų | 59 | 81 Ų | 81 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.1 | 173.4 | -64 | 176 | 0 | 0 | 0 | 109.8 | P396 K411 C417 | P396-I413 HydrophobicContact CG-CG2 3.67Å; K411-I413 PolarHBondContact O-N 3.34Å; I413-C417 HydrophobicContact CG2-CB 4.1Å |
| 414 | C | 33.2 | Very low | 44 | Very low | 87 Ų | 87 | 84 Ų | 84 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 161.7 | -174.8 | -161.2 | 0 | 0 | 0 | 0 | 113.7 | S416 C417 | C414-S416 PolarHBondContact O-N 3.03Å; C414-S416 VanDerWaalsContact O-N 3.15Å; C414-C417 PolarHBondContact O-N 2.7Å |
| 415 | S | 36 | Very low | 42.4 | Very low | 70 Ų | 70 | 90.3 Ų | 90.3 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.1 | -174.3 | 41.8 | 0 | 0 | 0 | 0 | 115.2 | C417 R418 | S415-C417 PolarHBondContact O-N 2.85Å; S415-R418 WeakPolarHBondContact O-CG 3.47Å; S415-R418 PolarHBondContact O-N 3.22Å |
| 416 | S | 35 | Very low | 40.6 | Very low | 92 Ų | 92 | 89.8 Ų | 89.8 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -58.3 | -16.7 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | C414 | C414-S416 PolarHBondContact O-N 3.03Å; C414-S416 VanDerWaalsContact O-N 3.15Å |
| 417 | C | 34.9 | Very low | 38.9 | Very low | 38 Ų | 38 | 94.3 Ų | 94.3 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -94.7 | 8.7 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 114.6 | P396 I413 C414 S415 N419 | P396-C417 WeakPolarHBondContact CD-SG 3.4Å; I413-C417 HydrophobicContact CG2-CB 4.1Å; C414-C417 PolarHBondContact O-N 2.7Å; S415-C417 PolarHBondContact O-N 2.85Å; C417-N419 VanDerWaalsContact C-N 3.25Å; C417-N419 PolarHBondContact O-N 2.77Å |
| 418 | R | 37.1 | Very low | 37.3 | Very low | 120 Ų | 120 | 101.8 Ų | 101.8 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.9 | -176.3 | -70.7 | -175.6 | -172 | -172.1 | 8.2 | 115 | I80 S415 A420 | I80-R418 HydrophobicContact CG1-CB 4.49Å; S415-R418 WeakPolarHBondContact O-CG 3.47Å; S415-R418 PolarHBondContact O-N 3.22Å; R418-A420 PolarHBondContact O-N 2.86Å |
| 419 | N | 37.6 | Very low | 35.8 | Very low | 46 Ų | 46 | 107.4 Ų | 107.4 | 25% | 0.246 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 11.5 | -179.7 | -71.9 | -18.7 | 0 | 0 | 0 | 115.6 | N359 R361 C417 | N359-N419 PolarHBondContact ND2-ND2 3.41Å; N359-N419 VanDerWaalsContact ND2-ND2 3.12Å; R361-N419 PolarHBondContact NH2-O 3.02Å; C417-N419 VanDerWaalsContact C-N 3.25Å; C417-N419 PolarHBondContact O-N 2.77Å |
| 420 | A | 34.6 | Very low | 34.2 | Very low | 11 Ų | 11 | 114.1 Ų | 114.1 | 9% | 0.091 | 55% | 0.545 | C | S | . | . | S | Bend | trans | -105.9 | 103.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R418 Q422 L423 A463 | R418-A420 PolarHBondContact O-N 2.86Å; A420-Q422 PolarHBondContact O-N 3.46Å; A420-L423 PolarHBondContact O-N 2.87Å; A420-A463 HydrophobicContact CB-CB 4.22Å |
| 421 | T | 31.6 | Very low | 33.1 | Very low | 93 Ų | 93 | 116.3 Ų | 116.3 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 41.5 | -169.9 | -33.2 | 0 | 0 | 0 | 0 | 114.8 | R361 | R361-T421 PolarHBondContact NH2-OG1 3.21Š|
| 422 | Q | 35.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | -12.6 | 173.6 | -74.1 | -176.5 | -24 | 0 | 0 | 113.3 | A420 N424 | A420-Q422 PolarHBondContact O-N 3.46Å; Q422-N424 VanDerWaalsContact C-N 3.28Å; Q422-N424 PolarHBondContact O-N 3.26Å |
| 423 | L | 32.2 | Very low | 32 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -11 | -173.6 | -94.3 | 164.1 | 0 | 0 | 0 | 115.7 | A420 L426 | A420-L423 PolarHBondContact O-N 2.87Å; L423-L426 HydrophobicContact CD2-CD1 4.31Å |
| 424 | N | 30.2 | Very low | 31.6 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 54% | 0.535 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -20.7 | -179.5 | -81.5 | -18.7 | 0 | 0 | 0 | 114.4 | Q422 L426 | Q422-N424 VanDerWaalsContact C-N 3.28Å; Q422-N424 PolarHBondContact O-N 3.26Å; N424-L426 VanDerWaalsContact C-N 3.32Å |
| 425 | Q | 30.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -25.4 | 175.7 | -77.4 | 178 | -40.9 | 0 | 0 | 112.4 | R427 | Q425-R427 PolarHBondContact O-N 3.48Š|
| 426 | L | 27.7 | Very low | 31 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | 29 | 176.5 | -67.6 | 169 | 0 | 0 | 0 | 114.4 | L423 N424 M446 | L423-L426 HydrophobicContact CD2-CD1 4.31Å; N424-L426 VanDerWaalsContact C-N 3.32Å; L426-M446 HydrophobicContact CD2-CE 3.52Å; L426-M446 HydrophobicContact CD2-SD 3.68Å |
| 427 | R | 29.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 58% | 0.577 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -7 | -176.6 | -84.8 | -174.5 | 169.3 | -167.9 | -1.6 | 115.4 | Q425 | Q425-R427 PolarHBondContact O-N 3.48Š|
| 428 | K | 27.4 | Very low | 30.4 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -102 | 2 | -171.2 | -140.3 | -165.1 | 178.5 | -164 | 0 | 115.4 | ||
| 429 | I | 26.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -135.8 | 103.7 | -178.9 | -53 | 169.9 | 0 | 0 | 0 | 107 | ||||
| 430 | W | 25.9 | Very low | 29.4 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 171.6 | 47.6 | 163.8 | -104.5 | 97.6 | 0 | 0 | 0 | 110 | ||
| 431 | K | 27.3 | Very low | 29 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -171.2 | 149 | 167.7 | -118.3 | -179.6 | 156.1 | -78.1 | 0 | 112 | ||
| 432 | E | 31.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 59.2 | 170 | 178.2 | -77.5 | 87.5 | -92.4 | 0 | 0 | 117.1 | ||||
| 433 | H | 28.8 | Very low | 28.4 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -113.8 | -174.2 | -165.5 | -68.5 | -9.7 | 0 | 0 | 0 | 112.8 | ||||
| 434 | V | 30 | Very low | 28.3 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 100.2 | 119.3 | 162.9 | -171.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 435 | D | 29.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 161.4 Ų | 161.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 39.1 | 128.8 | 163.1 | -56.4 | -34.1 | 0 | 0 | 0 | 123.4 | ||||
| 436 | P | 27.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 122.5 | 169.9 | 36.8 | -25.2 | 0 | 0 | 0 | 112.9 | ||||
| 437 | E | 28.8 | Very low | 29 | Very low | 188 Ų | 188 | 161 Ų | 161 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -148.8 | 158.1 | 158.3 | -134.8 | 169.7 | -139.9 | 0 | 0 | 112.1 | ||||
| 438 | L | 27.7 | Very low | 30 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 68.4 | 131.9 | -177.7 | -68.3 | 151.2 | 0 | 0 | 0 | 117.6 | ||||
| 439 | F | 25.9 | Very low | 31.4 | Very low | 202 Ų | 202 | 153 Ų | 153 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | -74.2 | 170.9 | -179.6 | -82.8 | -128.3 | 0 | 0 | 0 | 110.1 | ||||
| 440 | E | 27.7 | Very low | 33.1 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -167.7 | 127 | 48.3 | -166.1 | 166.5 | -132.1 | 0 | 0 | 116 | ||||
| 441 | S | 25.8 | Very low | 35.3 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 69 | 136.5 | 152.7 | 89.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 442 | Q | 25.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | 57.7 | 89 | 155.9 | -55 | -162.1 | 21.5 | 0 | 0 | 122.1 | ||||
| 443 | K | 27.9 | Very low | 39 | Very low | 202 Ų | 202 | 134.5 Ų | 134.5 | 88% | 0.878 | 70% | 0.704 | S | S | * | * | 168.3 | 83.5 | 125.4 | -90.4 | 153.5 | -170.7 | 146.1 | 0 | 114.3 | |||||
| 444 | S | 31.5 | Very low | 40.7 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | trans | -163.4 | 44.1 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 117.8 | M446 | S444-M446 VanDerWaalsContact C-N 3.26Å; S444-M446 PolarHBondContact O-N 2.79Å | ||
| 445 | N | 30.8 | Very low | 42.5 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 94% | 0.941 | 65% | 0.646 | S | S | * | * | trans | -70.8 | 79.6 | 170 | -78.8 | 11.2 | 0 | 0 | 0 | 112.2 | ||||
| 446 | M | 33.3 | Very low | 44.3 | Very low | 134 Ų | 134 | 118 Ų | 118 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | trans | -125.1 | 102.3 | 169 | -70.3 | -166.8 | -62.4 | 0 | 0 | 109.5 | L426 S444 Q448 | L426-M446 HydrophobicContact CD2-CE 3.52Å; L426-M446 HydrophobicContact CD2-SD 3.68Å; S444-M446 VanDerWaalsContact C-N 3.26Å; S444-M446 PolarHBondContact O-N 2.79Å; M446-Q448 PolarHBondContact O-N 2.71Å | ||
| 447 | V | 39.5 | Very low | 46.3 | Very low | 125 Ų | 125 | 112.4 Ų | 112.4 | 76% | 0.758 | 59% | 0.592 | S | S | * | * | trans | -71 | 116.1 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | V449 | V447-V449 HydrophobicContact CG1-CG2 3.93Š| ||
| 448 | Q | 50 | Low | 48.3 | Very low | 143 Ų | 143 | 110.8 Ų | 110.8 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | trans | -69.9 | 129.9 | 158.7 | 178.1 | 169 | -50.3 | 0 | 0 | 107.6 | M446 | M446-Q448 PolarHBondContact O-N 2.71Š| ||
| 449 | V | 57.5 | Low | 50.2 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | trans | -115.3 | 113.4 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | I3 V447 L451 | I3-V449 HydrophobicContact CB-CB 4.45Å; I3-V449 HydrophobicContact CB-CG2 4.3Å; I3-V449 HydrophobicContact CD1-CB 4.28Å; I3-V449 HydrophobicContact CG2-CB 4.24Å; I3-V449 HydrophobicContact CG2-CG1 4.28Å; V447-V449 HydrophobicContact CG1-CG2 3.93Å; V449-L451 HydrophobicContact CG1-CD2 4.45Å; V449-L451 WeakPolarHBondContact O-CD2 3.5Å | ||
| 450 | D | 61.2 | Low | 52.4 | Low | 127 Ų | 127 | 98 Ų | 98 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 134.9 | 174.9 | -59.3 | -45.2 | 0 | 0 | 0 | 109.6 | ||
| 451 | L | 72.3 | Confident | 54.3 | Low | 17 Ų | 17 | 91 Ų | 91 | 9% | 0.089 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 125.1 | -171.9 | -49.8 | -179.5 | 0 | 0 | 0 | 109.7 | I3 S406 L408 V449 Y457 T480 | I3-L451 HydrophobicContact CG2-CD2 4.25Å; S406-L451 WeakPolarHBondContact CA-O 3.33Å; S406-L451 WeakPolarHBondContact O-CB 3.48Å; L408-L451 HydrophobicContact CB-CD1 3.76Å; L408-L451 HydrophobicContact CD1-CD1 3.75Å; L408-L451 HydrophobicContact CG-CD1 3.56Å; V449-L451 HydrophobicContact CG1-CD2 4.45Å; V449-L451 WeakPolarHBondContact O-CD2 3.5Å; L451-Y457 WeakPolarHBondContact CA-OH 3.48Å; L451-Y457 HydrophobicContact CB-CE2 3.85Å; L451-Y457 HydrophobicContact CD2-CD1 3.96Å; L451-Y457 HydrophobicContact CD2-CD2 4.23Å; L451-Y457 HydrophobicContact CD2-CE1 3.66Å; L451-Y457 HydrophobicContact CD2-CE2 3.97Å; L451-Y457 HydrophobicContact CD2-CG 4.23Å; L451-Y457 HydrophobicContact CG-CE2 4.39Å; L451-T480 HydrophobicContact CB-CG2 3.74Å; L451-T480 HydrophobicContact CD1-CG2 4.28Å |
| 452 | L | 70.2 | Confident | 56.2 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 59% | 0.586 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 140.6 | 177.8 | -64.2 | 175.1 | 0 | 0 | 0 | 110 | V455 Y457 T480 | L452-V455 HydrophobicContact CB-CB 4.23Å; L452-V455 HydrophobicContact CB-CG2 3.66Å; L452-V455 HydrophobicContact CD1-CG2 4.4Å; L452-V455 PolarHBondContact O-N 3.41Å; L452-Y457 PolarHBondContact N-OH 2.93Å; L452-T480 PolarHBondContact O-OG1 2.74Å |
| 453 | P | 67.7 | Low | 57.9 | Low | 58 Ų | 58 | 80.2 Ų | 80.2 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 142.2 | 175.2 | -24.6 | 33.6 | 0 | 0 | 0 | 113 | F405 V455 C481 P483 | F405-P453 HydrophobicContact CB-CB 4.21Å; F405-P453 HydrophobicContact CB-CG 4.19Å; F405-P453 VanDerWaalsContact O-CA 3.29Å; F405-P453 WeakPolarHBondContact O-CA 3.48Å; P453-V455 PolarHBondContact O-N 3.43Å; P453-V455 VanDerWaalsContact O-N 3.17Å; P453-C481 CarbonylContact C-O 3.53Å; P453-C481 WeakPolarHBondContact CA-O 3.41Å; P453-C481 WeakPolarHBondContact CB-O 3.32Å; P453-P483 HydrophobicContact CB-CG 3.97Å; P453-P483 HydrophobicContact CG-CG 4.35Å |
| 454 | G | 63.8 | Low | 59.7 | Low | 10 Ų | 10 | 75.2 Ų | 75.2 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -1.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | R479 T480 C481 | G454-R479 WeakPolarHBondContact O-CD 2.95Å; G454-R479 WeakPolarHBondContact O-CG 3.48Å; G454-R479 PolarHBondContact O-NE 2.88Å; G454-R479 PolarHBondContact O-NH1 2.84Å; G454-R479 PolarHBondContact O-NH2 2.91Å; G454-T480 WeakPolarHBondContact CA-O 3.29Å; G454-T480 PolarHBondContact N-O 3.15Å; G454-T480 PolarHBondContact N-OG1 3.32Å; G454-C481 PolarHBondContact N-O 3.03Å |
| 455 | V | 68.3 | Low | 61.2 | Low | 54 Ų | 54 | 71.3 Ų | 71.3 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | trans | -86.6 | 142.5 | -175.6 | 176.2 | 0 | 0 | 0 | 0 | 112 | L452 P453 Y457 R479 T480 | L452-V455 HydrophobicContact CB-CB 4.23Å; L452-V455 HydrophobicContact CB-CG2 3.66Å; L452-V455 HydrophobicContact CD1-CG2 4.4Å; L452-V455 PolarHBondContact O-N 3.41Å; P453-V455 PolarHBondContact O-N 3.43Å; P453-V455 VanDerWaalsContact O-N 3.17Å; V455-Y457 HydrophobicContact CB-CD2 4.48Å; V455-Y457 HydrophobicContact CB-CE2 3.68Å; V455-Y457 HydrophobicContact CG1-CD2 4.23Å; V455-Y457 HydrophobicContact CG1-CE1 4.33Å; V455-Y457 HydrophobicContact CG1-CE2 3.63Å; V455-Y457 WeakPolarHBondContact O-CD2 3.33Å; V455-R479 WeakPolarHBondContact O-CA 3.18Å; V455-R479 WeakPolarHBondContact O-CG 3.32Å; V455-T480 PolarHBondContact N-OG1 2.72Å; V455-T480 PolarHBondContact O-N 3.38Å; V455-T480 VanDerWaalsContact O-N 3.12Å; V455-T480 PolarHBondContact O-OG1 2.83Å | ||
| 456 | A | 67.8 | Low | 62.7 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T477 F478 R479 | A456-T477 HydrophobicContact CB-CG2 4.33Å; A456-F478 CarbonylContact C-O 3.59Å; A456-F478 WeakPolarHBondContact CA-O 3.5Å; A456-R479 HydrophobicContact CB-CG 4.14Å |
| 457 | Y | 69.6 | Low | 64.2 | Low | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.9 | -177.7 | -67.2 | -87.9 | 0 | 0 | 0 | 111.1 | I3 A5 L408 L451 L452 V455 F459 T477 F478 T480 | I3-Y457 HydrophobicContact CG2-CD1 3.87Å; I3-Y457 HydrophobicContact CG2-CE1 4.43Å; A5-Y457 HydrophobicContact CB-CE1 4.07Å; L408-Y457 HydrophobicContact CD1-CD2 4.09Å; L408-Y457 HydrophobicContact CD1-CG 4.43Å; L451-Y457 WeakPolarHBondContact CA-OH 3.48Å; L451-Y457 HydrophobicContact CB-CE2 3.85Å; L451-Y457 HydrophobicContact CD2-CD1 3.96Å; L451-Y457 HydrophobicContact CD2-CD2 4.23Å; L451-Y457 HydrophobicContact CD2-CE1 3.66Å; L451-Y457 HydrophobicContact CD2-CE2 3.97Å; L451-Y457 HydrophobicContact CD2-CG 4.23Å; L451-Y457 HydrophobicContact CG-CE2 4.39Å; L452-Y457 PolarHBondContact N-OH 2.93Å; V455-Y457 HydrophobicContact CB-CD2 4.48Å; V455-Y457 HydrophobicContact CB-CE2 3.68Å; V455-Y457 HydrophobicContact CG1-CD2 4.23Å; V455-Y457 HydrophobicContact CG1-CE1 4.33Å; V455-Y457 HydrophobicContact CG1-CE2 3.63Å; V455-Y457 WeakPolarHBondContact O-CD2 3.33Å; Y457-F459 VanDerWaalsContact CB-CE2 3.49Å; Y457-T477 WeakPolarHBondContact O-CA 3.34Å; Y457-F478 PolarHBondContact N-O 2.87Å; Y457-F478 PolarHBondContact O-N 2.92Å; Y457-T480 HydrophobicContact CE2-CG2 4.32Å |
| 458 | R | 70.7 | Confident | 65.2 | Low | 154 Ų | 154 | 53.8 Ų | 53.8 | 58% | 0.581 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.5 | 175.8 | -66.2 | -173.3 | -179.8 | 172.6 | 2.7 | 110.6 | F475 S476 T477 | R458-F475 HydrophobicContact CB-CD1 4.07Å; R458-F475 HydrophobicContact CB-CE1 4.36Å; R458-S476 WeakPolarHBondContact CA-O 3.31Å; R458-T477 HydrophobicContact CG-CG2 4.2Å |
| 459 | F | 68.3 | Low | 66.5 | Low | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.8 | -177.8 | -61.1 | -98.3 | 0 | 0 | 0 | 110.5 | I3 L408 Y457 F475 S476 F478 | I3-F459 HydrophobicContact CD1-CE1 4.31Å; I3-F459 HydrophobicContact CG1-CD1 4.38Å; I3-F459 HydrophobicContact CG1-CE1 3.88Å; L408-F459 HydrophobicContact CB-CZ 4.41Å; L408-F459 HydrophobicContact CD1-CE2 3.76Å; L408-F459 HydrophobicContact CD1-CZ 3.72Å; Y457-F459 VanDerWaalsContact CB-CE2 3.49Å; F459-F475 WeakPolarHBondContact O-CA 3.29Å; F459-S476 PolarHBondContact N-O 2.96Å; F459-S476 PolarHBondContact O-N 2.92Å; F459-F478 AromaticContact CD2-CD2 3.48Å; F459-F478 HydrophobicContact CD2-CD2 3.48Å; F459-F478 VanDerWaalsContact CD2-CD2 3.48Å; F459-F478 AromaticContact CD2-CE2 3.98Å; F459-F478 HydrophobicContact CD2-CE2 3.98Å; F459-F478 HydrophobicContact CD2-CG 4.39Å; F459-F478 HydrophobicContact CE2-CB 4.26Å; F459-F478 AromaticContact CE2-CD2 3.6Å; F459-F478 HydrophobicContact CE2-CD2 3.6Å; F459-F478 HydrophobicContact CE2-CE2 4.46Å; F459-F478 HydrophobicContact CE2-CG 4.37Å; F459-F478 HydrophobicContact CG-CD2 4.33Å; F459-F478 HydrophobicContact CG-CE2 4.45Å |
| 460 | R | 70.4 | Confident | 67 | Low | 85 Ų | 85 | 51 Ų | 51 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.8 | 163 | 52.9 | 171.2 | -174 | -174.1 | 0 | 110.1 | W472 F475 | R460-W472 HydrophobicContact CB-CE3 3.9Å; R460-W472 HydrophobicContact CB-CZ3 4.32Å; R460-W472 HydrophobicContact CG-CD2 4.08Å; R460-W472 HydrophobicContact CG-CE3 3.49Å; R460-W472 VanDerWaalsContact CG-CE3 3.49Å; R460-W472 HydrophobicContact CG-CH2 4.35Å; R460-W472 HydrophobicContact CG-CZ3 3.67Å; R460-W472 WeakPolarHBondContact O-CZ3 3.26Å; R460-F475 HydrophobicContact CB-CD1 4.1Å; R460-F475 HydrophobicContact CB-CE1 4.33Å; R460-F475 HydrophobicContact CG-CD1 3.96Å; R460-F475 HydrophobicContact CG-CE1 3.68Å; R460-F475 HydrophobicContact CG-CZ 4.21Å |
| 461 | V | 67.5 | Low | 67.5 | Low | 24 Ų | 24 | 48.5 Ų | 48.5 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | trans | -131.5 | 147.7 | 178.5 | -72.8 | 0 | 0 | 0 | 0 | 110.2 | M1 P395 V398 W472 S473 | M1-V461 HydrophobicContact CG-CG1 3.62Å; P395-V461 HydrophobicContact CB-CG2 3.85Å; P395-V461 HydrophobicContact CG-CG2 4.14Å; V398-V461 HydrophobicContact CG2-CG1 4.13Å; V398-V461 HydrophobicContact CG2-CG2 3.8Å; V461-W472 VanDerWaalsContact C-CE3 3.5Å; V461-W472 CarbonylContact O-C 3.54Å; V461-S473 PolarHBondContact N-OG 2.96Å; V461-S473 WeakPolarHBondContact O-CB 3.26Å; V461-S473 PolarHBondContact O-N 2.79Å; V461-S473 PolarHBondContact O-OG 3.09Å | ||
| 462 | A | 67.2 | Low | 67.7 | Low | 25 Ų | 25 | 51.1 Ų | 51.1 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | R469 P471 W472 | A462-R469 HydrophobicContact CB-CG 4.14Å; A462-P471 VanDerWaalsContact CB-O 3.32Å; A462-P471 WeakPolarHBondContact CB-O 3.38Å; A462-W472 HydrophobicContact CB-CD2 4.17Å; A462-W472 HydrophobicContact CB-CE3 4.05Å; A462-W472 HydrophobicContact CB-CG 4.48Å |
| 463 | A | 60.7 | Low | 67.8 | Low | 22 Ų | 22 | 46.1 Ų | 46.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 149.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P392 P395 A420 G470 | P392-A463 HydrophobicContact CB-CB 3.46Å; P392-A463 VanDerWaalsContact CB-CB 3.46Å; P392-A463 HydrophobicContact CG-CB 3.92Å; P395-A463 HydrophobicContact CG-CB 4.26Å; A420-A463 HydrophobicContact CB-CB 4.22Å; A463-G470 PolarHBondContact O-N 3.15Å |
| 464 | L | 64.9 | Low | 67.9 | Low | 97 Ų | 97 | 50 Ų | 50 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.6 | 178.3 | 176.7 | 62.1 | 0 | 0 | 0 | 108.1 | R469 | L464-R469 HydrophobicContact CD1-CB 4.23Å |
| 465 | N | 62.7 | Low | 68.4 | Low | 16 Ų | 16 | 53.3 Ų | 53.3 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | -169.1 | 166.2 | 80 | 0.7 | 0 | 0 | 0 | 109.5 | E388 A390 P392 C467 G468 | E388-N465 VanDerWaalsContact OE2-CB 3.31Å; E388-N465 WeakPolarHBondContact OE2-CB 3.35Å; A390-N465 PolarHBondContact O-ND2 3.33Å; P392-N465 WeakPolarHBondContact CD-OD1 3.39Å; P392-N465 HydrophobicContact CG-CB 3.81Å; N465-C467 WeakPolarHBondContact OD1-CA 3.2Å; N465-C467 WeakPolarHBondContact OD1-CB 3.17Å; N465-C467 PolarHBondContact OD1-N 3.38Å; N465-G468 PolarHBondContact N-O 3.35Å; N465-G468 VanDerWaalsContact N-O 3.13Å; N465-G468 WeakPolarHBondContact O-CA 3.42Å; N465-G468 PolarHBondContact O-N 3.33Å; N465-G468 PolarHBondContact OD1-N 2.94Å; N465-G468 PolarHBondContact OD1-O 3.04Å |
| 466 | A | 64.1 | Low | 68.2 | Low | 32 Ų | 32 | 50.9 Ų | 50.9 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K33 K35 E388 G468 | K33-A466 HydrophobicContact CB-CB 3.82Å; K33-A466 HydrophobicContact CD-CB 3.94Å; K33-A466 HydrophobicContact CG-CB 3.83Å; K35-A466 VanDerWaalsContact CE-CB 3.45Å; E388-A466 VanDerWaalsContact OE2-CB 3.3Å; E388-A466 WeakPolarHBondContact OE2-CB 3.34Å; E388-A466 PolarHBondContact OE2-N 3.13Å; A466-G468 PolarHBondContact O-N 3.31Å |
| 467 | C | 63.6 | Low | 68.4 | Low | 14 Ų | 14 | 52 Ų | 52 | 10% | 0.095 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3.1 | 160.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | F31 E388 A390 K391 N465 | F31-C467 PolarHBondContact O-SG 3.42Å; E388-C467 VanDerWaalsContact C-SG 3.5Å; E388-C467 PolarHBondContact O-SG 3.03Å; A390-C467 VanDerWaalsContact C-CB 3.5Å; K391-C467 WeakPolarHBondContact CE-O 3.5Å; K391-C467 HydrophobicContact CG-CB 4.13Å; K391-C467 WeakPolarHBondContact CG-O 3.26Å; N465-C467 WeakPolarHBondContact OD1-CA 3.2Å; N465-C467 WeakPolarHBondContact OD1-CB 3.17Å; N465-C467 PolarHBondContact OD1-N 3.38Å |
| 468 | G | 61.6 | Low | 68.4 | Low | 22 Ų | 22 | 53.5 Ų | 53.5 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | -163.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | P392 N465 A466 | P392-G468 WeakPolarHBondContact CD-O 3.37Å; N465-G468 PolarHBondContact N-O 3.35Å; N465-G468 VanDerWaalsContact N-O 3.13Å; N465-G468 WeakPolarHBondContact O-CA 3.42Å; N465-G468 PolarHBondContact O-N 3.33Å; N465-G468 PolarHBondContact OD1-N 2.94Å; N465-G468 PolarHBondContact OD1-O 3.04Å; A466-G468 PolarHBondContact O-N 3.31Å |
| 469 | R | 76.5 | Confident | 68.3 | Low | 121 Ų | 121 | 53.8 Ų | 53.8 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.9 | -174.1 | -162.3 | -157.3 | -176.1 | 88.9 | 17.7 | 111.4 | K391 A462 L464 W472 | K391-R469 WeakPolarHBondContact CD-O 3.4Å; A462-R469 HydrophobicContact CB-CG 4.14Å; L464-R469 HydrophobicContact CD1-CB 4.23Å; R469-W472 VanDerWaalsContact NH2-CZ3 3.25Å |
| 470 | G | 67.2 | Low | 68.2 | Low | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P392 A463 | P392-G470 WeakPolarHBondContact O-CA 3.28Å; A463-G470 PolarHBondContact O-N 3.15Å |
| 471 | P | 72.2 | Confident | 67.6 | Low | 75 Ų | 75 | 50.7 Ų | 50.7 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 158.1 | 171.6 | -15.4 | 28.3 | 0 | 0 | 0 | 111.6 | P392 A394 A462 | P392-P471 WeakPolarHBondContact O-CD 3.25Å; A394-P471 HydrophobicContact CB-CB 3.96Å; A394-P471 HydrophobicContact CB-CG 4.37Å; A462-P471 VanDerWaalsContact CB-O 3.32Å; A462-P471 WeakPolarHBondContact CB-O 3.38Å |
| 472 | W | 76.4 | Confident | 67.5 | Low | 73 Ų | 73 | 52.5 Ų | 52.5 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 149 | 169.5 | -71.3 | 101.4 | 0 | 0 | 0 | 111.1 | I2 R460 V461 A462 R469 | I2-W472 HydrophobicContact CB-CH2 4.27Å; I2-W472 HydrophobicContact CD1-CH2 3.66Å; I2-W472 HydrophobicContact CD1-CZ2 4.15Å; I2-W472 HydrophobicContact CG1-CH2 3.89Å; R460-W472 HydrophobicContact CB-CE3 3.9Å; R460-W472 HydrophobicContact CB-CZ3 4.32Å; R460-W472 HydrophobicContact CG-CD2 4.08Å; R460-W472 HydrophobicContact CG-CE3 3.49Å; R460-W472 VanDerWaalsContact CG-CE3 3.49Å; R460-W472 HydrophobicContact CG-CH2 4.35Å; R460-W472 HydrophobicContact CG-CZ3 3.67Å; R460-W472 WeakPolarHBondContact O-CZ3 3.26Å; V461-W472 VanDerWaalsContact C-CE3 3.5Å; V461-W472 CarbonylContact O-C 3.54Å; A462-W472 HydrophobicContact CB-CD2 4.17Å; A462-W472 HydrophobicContact CB-CE3 4.05Å; A462-W472 HydrophobicContact CB-CG 4.48Å; R469-W472 VanDerWaalsContact NH2-CZ3 3.25Å |
| 473 | S | 72.3 | Confident | 67.4 | Low | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.6 | 160.7 | 74.7 | 0 | 0 | 0 | 0 | 110.4 | P395 V461 | P395-S473 WeakPolarHBondContact O-CA 3.21Å; P395-S473 WeakPolarHBondContact O-CB 3.35Å; V461-S473 PolarHBondContact N-OG 2.96Å; V461-S473 WeakPolarHBondContact O-CB 3.26Å; V461-S473 PolarHBondContact O-N 2.79Å; V461-S473 PolarHBondContact O-OG 3.09Å |
| 474 | E | 70.3 | Confident | 67.7 | Low | 140 Ų | 140 | 55.4 Ų | 55.4 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 150.6 | 161.9 | -77.7 | -51.7 | 130.1 | 0 | 0 | 112.7 | R397 | R397-E474 HydrophobicContact CB-CB 4.33Å; R397-E474 HydrophobicContact CG-CB 4.2Å |
| 475 | F | 74.3 | Confident | 68.1 | Low | 80 Ų | 80 | 54.2 Ų | 54.2 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 136.1 | 178.3 | -81.9 | -78.3 | 0 | 0 | 0 | 111.4 | R397 R458 F459 R460 | R397-F475 PolarHBondContact NE-O 3.28Å; R397-F475 PolarHBondContact NH2-O 3.23Å; R458-F475 HydrophobicContact CB-CD1 4.07Å; R458-F475 HydrophobicContact CB-CE1 4.36Å; F459-F475 WeakPolarHBondContact O-CA 3.29Å; R460-F475 HydrophobicContact CB-CD1 4.1Å; R460-F475 HydrophobicContact CB-CE1 4.33Å; R460-F475 HydrophobicContact CG-CD1 3.96Å; R460-F475 HydrophobicContact CG-CE1 3.68Å; R460-F475 HydrophobicContact CG-CZ 4.21Å |
| 476 | S | 63 | Low | 69 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 166.9 | -56 | 0 | 0 | 0 | 0 | 109.2 | R397 V398 R458 F459 | R397-S476 WeakPolarHBondContact CG-OG 3.5Å; V398-S476 PolarHBondContact N-OG 3.31Å; V398-S476 WeakPolarHBondContact O-CB 3.48Å; V398-S476 PolarHBondContact O-OG 2.58Å; R458-S476 WeakPolarHBondContact CA-O 3.31Å; F459-S476 PolarHBondContact N-O 2.96Å; F459-S476 PolarHBondContact O-N 2.92Å |
| 477 | T | 72.4 | Confident | 69.7 | Low | 76 Ų | 76 | 52.5 Ų | 52.5 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.2 | 177.3 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | A456 Y457 R458 | A456-T477 HydrophobicContact CB-CG2 4.33Å; Y457-T477 WeakPolarHBondContact O-CA 3.34Å; R458-T477 HydrophobicContact CG-CG2 4.2Å |
| 478 | F | 70.7 | Confident | 70.6 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.7 | 179.2 | -51.4 | -47.5 | 0 | 0 | 0 | 109.4 | V398 L400 L408 A456 Y457 F459 | V398-F478 HydrophobicContact CG1-CE2 4.34Å; L400-F478 HydrophobicContact CB-CD1 3.85Å; L400-F478 HydrophobicContact CB-CD2 4.22Å; L400-F478 HydrophobicContact CB-CE1 3.68Å; L400-F478 HydrophobicContact CB-CE2 4.05Å; L400-F478 HydrophobicContact CB-CG 4.13Å; L400-F478 HydrophobicContact CB-CZ 3.77Å; L400-F478 HydrophobicContact CD1-CB 4.1Å; L400-F478 HydrophobicContact CD1-CD1 4.35Å; L400-F478 HydrophobicContact CD1-CD2 3.61Å; L400-F478 HydrophobicContact CD1-CE2 4.08Å; L400-F478 HydrophobicContact CD1-CG 3.78Å; L400-F478 HydrophobicContact CD2-CB 4.32Å; L400-F478 HydrophobicContact CD2-CD1 4.24Å; L400-F478 HydrophobicContact CD2-CG 4.25Å; L400-F478 HydrophobicContact CG-CD1 4.39Å; L400-F478 HydrophobicContact CG-CD2 4.43Å; L400-F478 HydrophobicContact CG-CG 4.28Å; L408-F478 HydrophobicContact CD1-CB 3.94Å; L408-F478 HydrophobicContact CD2-CB 4.15Å; A456-F478 CarbonylContact C-O 3.59Å; A456-F478 WeakPolarHBondContact CA-O 3.5Å; Y457-F478 PolarHBondContact N-O 2.87Å; Y457-F478 PolarHBondContact O-N 2.92Å; F459-F478 AromaticContact CD2-CD2 3.48Å; F459-F478 HydrophobicContact CD2-CD2 3.48Å; F459-F478 VanDerWaalsContact CD2-CD2 3.48Å; F459-F478 AromaticContact CD2-CE2 3.98Å; F459-F478 HydrophobicContact CD2-CE2 3.98Å; F459-F478 HydrophobicContact CD2-CG 4.39Å; F459-F478 HydrophobicContact CE2-CB 4.26Å; F459-F478 AromaticContact CE2-CD2 3.6Å; F459-F478 HydrophobicContact CE2-CD2 3.6Å; F459-F478 HydrophobicContact CE2-CE2 4.46Å; F459-F478 HydrophobicContact CE2-CG 4.37Å; F459-F478 HydrophobicContact CG-CD2 4.33Å; F459-F478 HydrophobicContact CG-CE2 4.45Å |
| 479 | R | 68.2 | Low | 71.8 | Confident | 160 Ų | 160 | 52.9 Ų | 52.9 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.8 | -179.2 | -153.8 | -178.2 | -139.2 | -128.3 | -0.9 | 110 | G454 V455 A456 | G454-R479 WeakPolarHBondContact O-CD 2.95Å; G454-R479 WeakPolarHBondContact O-CG 3.48Å; G454-R479 PolarHBondContact O-NE 2.88Å; G454-R479 PolarHBondContact O-NH1 2.84Å; G454-R479 PolarHBondContact O-NH2 2.91Å; V455-R479 WeakPolarHBondContact O-CA 3.18Å; V455-R479 WeakPolarHBondContact O-CG 3.32Å; A456-R479 HydrophobicContact CB-CG 4.14Å |
| 480 | T | 65.1 | Low | 72 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 157.6 | 166 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | T404 L408 L451 L452 G454 V455 Y457 | T404-T480 CarbonylContact O-C 3.6Å; T404-T480 WeakPolarHBondContact O-CA 3.47Å; T404-T480 WeakPolarHBondContact O-CB 3.11Å; L408-T480 HydrophobicContact CG-CG2 4.27Å; L451-T480 HydrophobicContact CB-CG2 3.74Å; L451-T480 HydrophobicContact CD1-CG2 4.28Å; L452-T480 PolarHBondContact O-OG1 2.74Å; G454-T480 WeakPolarHBondContact CA-O 3.29Å; G454-T480 PolarHBondContact N-O 3.15Å; G454-T480 PolarHBondContact N-OG1 3.32Å; V455-T480 PolarHBondContact N-OG1 2.72Å; V455-T480 PolarHBondContact O-N 3.38Å; V455-T480 VanDerWaalsContact O-N 3.12Å; V455-T480 PolarHBondContact O-OG1 2.83Å; Y457-T480 HydrophobicContact CE2-CG2 4.32Å |
| 481 | C | 59.7 | Low | 72.6 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 152.4 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | T404 P453 G454 | T404-C481 PolarHBondContact O-N 2.84Å; P453-C481 CarbonylContact C-O 3.53Å; P453-C481 WeakPolarHBondContact CA-O 3.41Å; P453-C481 WeakPolarHBondContact CB-O 3.32Å; G454-C481 PolarHBondContact N-O 3.03Å |
| 482 | V | 64.9 | Low | 73 | Confident | 62 Ų | 62 | 48 Ų | 48 | 38% | 0.376 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 137 | 170.5 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | F485 | V482-F485 HydrophobicContact CB-CD2 3.9Å; V482-F485 HydrophobicContact CB-CE2 4.48Å; V482-F485 HydrophobicContact CG1-CD2 3.7Å; V482-F485 HydrophobicContact CG1-CE2 3.91Å |
| 483 | P | 64.7 | Low | 73 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 56% | 0.558 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 140.6 | -179.5 | -22 | 34.8 | 0 | 0 | 0 | 112.8 | P453 F485 | P453-P483 HydrophobicContact CB-CG 3.97Å; P453-P483 HydrophobicContact CG-CG 4.35Å; P483-F485 VanDerWaalsContact C-N 3.27Å; P483-F485 PolarHBondContact O-N 2.85Å |
| 484 | G | 67.3 | Low | 73.2 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -9.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N577 | G484-N577 PolarHBondContact O-ND2 3.12Š|
| 485 | F | 72.1 | Confident | 73.3 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -85.4 | 149.5 | 164.3 | -71.2 | -94.1 | 0 | 0 | 0 | 109.3 | V482 P483 A512 K579 Y581 | V482-F485 HydrophobicContact CB-CD2 3.9Å; V482-F485 HydrophobicContact CB-CE2 4.48Å; V482-F485 HydrophobicContact CG1-CD2 3.7Å; V482-F485 HydrophobicContact CG1-CE2 3.91Å; P483-F485 VanDerWaalsContact C-N 3.27Å; P483-F485 PolarHBondContact O-N 2.85Å; F485-A512 WeakPolarHBondContact O-CB 3.47Å; F485-K579 HydrophobicContact CE1-CB 4.37Å; F485-K579 WeakPolarHBondContact CE1-O 3.41Å; F485-K579 HydrophobicContact CZ-CB 4.46Å; F485-Y581 WeakPolarHBondContact CD1-O 3.25Å |
| 486 | P | 83 | Confident | 72.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -66.9 | 155.6 | 176.6 | 31.2 | -33.4 | 0 | 0 | 0 | 109.6 | P508 C511 I515 A575 G582 P583 | P486-P508 HydrophobicContact CB-CG 4.46Å; P486-C511 WeakPolarHBondContact CA-O 3.37Å; P486-C511 WeakPolarHBondContact CB-O 3.5Å; P486-I515 HydrophobicContact CB-CD1 3.52Å; P486-I515 HydrophobicContact CG-CD1 4.32Å; P486-A575 HydrophobicContact CB-CB 4.35Å; P486-A575 HydrophobicContact CG-CB 4.3Å; P486-A575 WeakPolarHBondContact CG-O 3.43Å; P486-G582 WeakPolarHBondContact O-CA 3.28Å; P486-P583 VanDerWaalsContact O-CD 3.27Å; P486-P583 WeakPolarHBondContact O-CD 3.46Å | ||
| 487 | G | 77.6 | Confident | 72.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | trans | -69.6 | -176.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P508 N510 | G487-P508 WeakPolarHBondContact O-CB 3.3Å; G487-P508 WeakPolarHBondContact O-CG 3.29Å; G487-N510 PolarHBondContact N-O 2.99Å | ||
| 488 | A | 83 | Confident | 72.6 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 137 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P583 T585 | A488-P583 VanDerWaalsContact CA-O 3.26Å; A488-P583 WeakPolarHBondContact CA-O 3.3Å; A488-P583 HydrophobicContact CB-CG 4.21Å; A488-P583 VanDerWaalsContact CB-O 3.23Å; A488-P583 WeakPolarHBondContact CB-O 3.31Å; A488-T585 WeakPolarHBondContact CB-OG1 3.48Å |
| 489 | P | 87.4 | Confident | 72.5 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.6 | 175.6 | -26.8 | 36.1 | 0 | 0 | 0 | 113.2 | W505 Y518 I573 A575 T585 | P489-W505 HydrophobicContact CB-CG 4.37Å; P489-Y518 HydrophobicContact CG-CD1 4.22Å; P489-Y518 HydrophobicContact CG-CE1 4.24Å; P489-I573 HydrophobicContact CB-CG2 4.37Å; P489-I573 WeakPolarHBondContact CD-O 2.99Å; P489-I573 HydrophobicContact CG-CG2 4.13Å; P489-A575 HydrophobicContact CG-CB 4.19Å; P489-T585 WeakPolarHBondContact O-CB 3.4Å; P489-T585 PolarHBondContact O-OG1 2.97Å |
| 490 | A | 79.8 | Confident | 73 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 169.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I492 E506 | A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.01Å; A490-E506 HydrophobicContact CB-CB 4.09Å; A490-E506 PolarHBondContact N-O 2.81Å; A490-E506 PolarHBondContact O-N 3Å |
| 491 | S | 79.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.9 | 39.3 | 162.5 | -50.6 | 0 | 0 | 0 | 0 | 116.5 | R493 E506 | S491-R493 WeakPolarHBondContact O-CG 3.37Å; S491-R493 PolarHBondContact O-N 3.06Å; S491-E506 WeakPolarHBondContact CB-OE1 3.19Å; S491-E506 WeakPolarHBondContact CB-OE2 3.39Å; S491-E506 VanDerWaalsContact OG-CD 3.23Å; S491-E506 PolarHBondContact OG-OE2 2.84Å |
| 492 | I | 81.6 | Confident | 75.1 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.2 | -177.6 | -57.7 | 172.2 | 0 | 0 | 0 | 110.3 | A490 V494 K504 W505 I573 T585 W587 | A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.01Å; I492-V494 HydrophobicContact CG2-CG2 4.37Å; I492-K504 WeakPolarHBondContact CA-O 3.25Å; I492-W505 HydrophobicContact CG1-CB 3.85Å; I492-I573 HydrophobicContact CD1-CB 4.15Å; I492-I573 HydrophobicContact CD1-CD1 3.78Å; I492-I573 HydrophobicContact CD1-CG1 3.94Å; I492-I573 HydrophobicContact CG1-CD1 4.09Å; I492-I573 HydrophobicContact CG2-CD1 3.86Å; I492-T585 HydrophobicContact CD1-CG2 3.49Å; I492-T585 VanDerWaalsContact CD1-CG2 3.49Å; I492-T585 HydrophobicContact CG1-CG2 4.49Å; I492-W587 HydrophobicContact CB-CB 4.21Å; I492-W587 HydrophobicContact CB-CD2 4.41Å; I492-W587 HydrophobicContact CB-CG 3.85Å; I492-W587 HydrophobicContact CD1-CB 3.86Å; I492-W587 HydrophobicContact CD1-CG 4.42Å; I492-W587 HydrophobicContact CG2-CB 3.9Å; I492-W587 HydrophobicContact CG2-CD2 3.8Å; I492-W587 HydrophobicContact CG2-CE3 4.3Å; I492-W587 HydrophobicContact CG2-CG 3.6Å; I492-W587 PolarHBondContact O-NE1 3.39Å |
| 493 | R | 76.8 | Confident | 76.2 | Confident | 131 Ų | 131 | 50.5 Ų | 50.5 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.8 | 175.7 | -56.8 | 170.9 | -143.2 | -157.3 | 6 | 107.9 | S491 K504 E506 | S491-R493 WeakPolarHBondContact O-CG 3.37Å; S491-R493 PolarHBondContact O-N 3.06Å; R493-K504 PolarHBondContact N-O 2.77Å; R493-K504 PolarHBondContact O-N 2.84Å; R493-K504 VanDerWaalsContact O-O 3.08Å; R493-E506 IonicContact CZ-OE1 2.89Å; R493-E506 IonicContact NH2-OE1 2.64Å; R493-E506 PolarHBondContact NH2-OE1 2.99Å |
| 494 | V | 75.8 | Confident | 77.5 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 122.6 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | I492 A501 H502 L503 W587 K589 | I492-V494 HydrophobicContact CG2-CG2 4.37Å; V494-A501 HydrophobicContact CG1-CB 3.99Å; V494-H502 CarbonylContact C-O 3.48Å; V494-H502 VanDerWaalsContact CA-O 3.3Å; V494-H502 WeakPolarHBondContact CA-O 3.24Å; V494-L503 HydrophobicContact CB-CG 4.35Å; V494-L503 HydrophobicContact CG1-CG 3.96Å; V494-L503 HydrophobicContact CG2-CB 4.05Å; V494-L503 HydrophobicContact CG2-CD2 3.56Å; V494-L503 HydrophobicContact CG2-CG 3.54Å; V494-W587 HydrophobicContact CB-CE3 4.38Å; V494-W587 HydrophobicContact CB-CH2 3.56Å; V494-W587 HydrophobicContact CB-CZ3 3.4Å; V494-W587 HydrophobicContact CG1-CZ3 4.41Å; V494-W587 HydrophobicContact CG2-CD2 4.46Å; V494-W587 HydrophobicContact CG2-CE3 3.62Å; V494-W587 HydrophobicContact CG2-CH2 3.63Å; V494-W587 HydrophobicContact CG2-CZ2 4.47Å; V494-W587 HydrophobicContact CG2-CZ3 3.11Å; V494-K589 HydrophobicContact CB-CD 4.33Å; V494-K589 HydrophobicContact CG1-CD 4.46Å; V494-K589 PolarHBondContact O-NZ 3.46Å |
| 495 | T | 72.4 | Confident | 78.7 | Confident | 86 Ų | 86 | 51 Ų | 51 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.8 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | A501 H502 | T495-A501 CarbonylContact O-C 3.52Å; T495-A501 WeakPolarHBondContact O-CA 3.44Å; T495-H502 PolarHBondContact N-O 3.22Å; T495-H502 PolarHBondContact O-N 3.15Å |
| 496 | R | 64.6 | Low | 79.4 | Confident | 152 Ų | 152 | 51.2 Ų | 51.2 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.2 | 172 | -171.4 | -179.4 | -172.2 | 176.8 | 2.3 | 107.7 | T594 | R496-T594 PolarHBondContact NH1-OG1 3.06Å |
| 497 | C | 63.1 | Low | 79.6 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 35% | 0.345 | 30% | 0.297 | S | S | . | . | trans | -121.3 | 171.1 | -177.4 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | D499 G500 | C497-D499 WeakPolarHBondContact CB-OD1 3.39Å; C497-D499 PolarHBondContact O-N 3.49Å; C497-G500 PolarHBondContact N-O 2.87Å | ||
| 498 | S | 66.7 | Low | 79.9 | Confident | 124 Ų | 124 | 53.9 Ų | 53.9 | 87% | 0.867 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -70.6 | -17.8 | -179.6 | 39.8 | 0 | 0 | 0 | 0 | 113.6 | L552 | S498-L552 WeakPolarHBondContact O-CD1 3.48Š|
| 499 | D | 69.3 | Low | 79.4 | Confident | 87 Ų | 87 | 59 Ų | 59 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -102.7 | -18.4 | -179.3 | 61.4 | -18.2 | 0 | 0 | 0 | 113.6 | C497 G551 L552 | C497-D499 WeakPolarHBondContact CB-OD1 3.39Å; C497-D499 PolarHBondContact O-N 3.49Å; D499-G551 CarbonylContact O-C 3.6Å; D499-G551 WeakPolarHBondContact O-CA 3.46Å; D499-L552 WeakPolarHBondContact O-CB 3.49Å; D499-L552 PolarHBondContact O-N 2.92Å |
| 500 | G | 78.9 | Confident | 78.6 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -136.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | C497 V550 | C497-G500 PolarHBondContact N-O 2.87Å; G500-V550 CarbonylContact C-O 3.5Å; G500-V550 VanDerWaalsContact CA-O 3.3Å; G500-V550 WeakPolarHBondContact CA-O 3.44Å |
| 501 | A | 81.1 | Confident | 77.9 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V494 T495 V550 V555 | V494-A501 HydrophobicContact CG1-CB 3.99Å; T495-A501 CarbonylContact O-C 3.52Å; T495-A501 WeakPolarHBondContact O-CA 3.44Å; A501-V550 PolarHBondContact N-O 2.97Å; A501-V550 PolarHBondContact O-N 3.47Å; A501-V555 HydrophobicContact CB-CG2 4.13Å |
| 502 | H | 86.6 | Confident | 77.2 | Confident | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113 | 177 | -178 | -60.2 | 0 | 0 | 0 | 110.1 | V494 T495 C548 V549 | V494-H502 CarbonylContact C-O 3.48Å; V494-H502 VanDerWaalsContact CA-O 3.3Å; V494-H502 WeakPolarHBondContact CA-O 3.24Å; T495-H502 PolarHBondContact N-O 3.22Å; T495-H502 PolarHBondContact O-N 3.15Å; H502-C548 CarbonylContact C-O 3.47Å; H502-V549 HydrophobicContact CB-CG2 4.23Å |
| 503 | L | 89.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 144.2 | 175.8 | -60.4 | 99.8 | 0 | 0 | 0 | 111.3 | V494 W505 V520 S547 C548 V550 F571 I573 | V494-L503 HydrophobicContact CB-CG 4.35Å; V494-L503 HydrophobicContact CG1-CG 3.96Å; V494-L503 HydrophobicContact CG2-CB 4.05Å; V494-L503 HydrophobicContact CG2-CD2 3.56Å; V494-L503 HydrophobicContact CG2-CG 3.54Å; L503-W505 HydrophobicContact CB-CE3 4.26Å; L503-W505 HydrophobicContact CB-CZ3 3.85Å; L503-V520 HydrophobicContact CD2-CG1 4.15Å; L503-S547 CarbonylContact O-C 3.58Å; L503-S547 WeakPolarHBondContact O-CA 3.39Å; L503-S547 WeakPolarHBondContact O-CB 3.19Å; L503-C548 PolarHBondContact N-O 3.4Å; L503-C548 PolarHBondContact O-N 2.8Å; L503-V550 HydrophobicContact CD1-CB 4.23Å; L503-V550 HydrophobicContact CD1-CG2 3.51Å; L503-F571 HydrophobicContact CD1-CE1 4.12Å; L503-F571 HydrophobicContact CD1-CZ 4.46Å; L503-F571 HydrophobicContact CD2-CB 4.34Å; L503-F571 HydrophobicContact CD2-CD1 3.66Å; L503-F571 HydrophobicContact CD2-CD2 4.24Å; L503-F571 HydrophobicContact CD2-CE1 3.89Å; L503-F571 HydrophobicContact CD2-CE2 4.44Å; L503-F571 HydrophobicContact CD2-CG 3.83Å; L503-F571 HydrophobicContact CD2-CZ 4.28Å; L503-I573 HydrophobicContact CD2-CD1 4.26Å |
| 504 | K | 90.8 | Very high | 77 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 144.4 | 170 | -175.2 | 162.7 | -173.6 | 165.7 | 0 | 110.5 | I492 R493 S546 | I492-K504 WeakPolarHBondContact CA-O 3.25Å; R493-K504 PolarHBondContact N-O 2.77Å; R493-K504 PolarHBondContact O-N 2.84Å; R493-K504 VanDerWaalsContact O-O 3.08Å; K504-S546 CarbonylContact C-O 3.57Å; K504-S546 WeakPolarHBondContact CA-O 3.15Å |
| 505 | W | 91.9 | Very high | 77.5 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 2% | 0.019 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 169.6 | -179.6 | 53.7 | 91.3 | 0 | 0 | 0 | 111.3 | P489 I492 L503 Y518 V520 Y541 D545 S546 C548 I573 | P489-W505 HydrophobicContact CB-CG 4.37Å; I492-W505 HydrophobicContact CG1-CB 3.85Å; L503-W505 HydrophobicContact CB-CE3 4.26Å; L503-W505 HydrophobicContact CB-CZ3 3.85Å; W505-Y518 AromaticContact CD1-CD1 3.93Å; W505-Y518 AromaticContact CD1-CE1 3.81Å; W505-Y518 AromaticContact CE2-CG 3.92Å; W505-Y518 HydrophobicContact CZ2-CD1 4.43Å; W505-Y518 HydrophobicContact CZ2-CD2 4.34Å; W505-Y518 AromaticContact CZ2-CG 3.91Å; W505-Y518 HydrophobicContact CZ2-CG 3.91Å; W505-Y518 AromaticContact NE1-CD1 3.1Å; W505-Y518 AromaticContact NE1-CD2 3.78Å; W505-Y518 AromaticContact NE1-CE1 3.34Å; W505-Y518 VanDerWaalsContact NE1-CE1 3.34Å; W505-Y518 AromaticContact NE1-CG 3.34Å; W505-Y518 VanDerWaalsContact NE1-CG 3.34Å; W505-Y518 AromaticContact NE1-CZ 3.82Å; W505-V520 HydrophobicContact CH2-CG2 3.56Å; W505-V520 HydrophobicContact CZ2-CG2 4.26Å; W505-V520 HydrophobicContact CZ3-CG2 3.82Å; W505-Y541 HydrophobicContact CH2-CD1 4.09Å; W505-Y541 HydrophobicContact CH2-CE1 4.13Å; W505-Y541 HydrophobicContact CZ2-CE1 4.26Å; W505-D545 VanDerWaalsContact CZ2-O 3.22Å; W505-D545 WeakPolarHBondContact CZ2-O 2.77Å; W505-S546 VanDerWaalsContact CD2-O 3.27Å; W505-S546 VanDerWaalsContact CE2-C 3.47Å; W505-S546 PolarHBondContact N-O 2.86Å; W505-S546 WeakPolarHBondContact O-CB 3.29Å; W505-C548 HydrophobicContact CH2-CB 4.4Å; W505-I573 HydrophobicContact CD2-CD1 3.94Å; W505-I573 HydrophobicContact CD2-CG2 3.91Å; W505-I573 HydrophobicContact CE3-CD1 3.47Å; W505-I573 VanDerWaalsContact CE3-CD1 3.47Å; W505-I573 HydrophobicContact CE3-CG2 4.32Å; W505-I573 HydrophobicContact CG-CD1 4.45Å; W505-I573 HydrophobicContact CG-CG2 4.28Å; W505-I573 HydrophobicContact CZ2-CG2 4.21Å; W505-I573 HydrophobicContact CZ3-CD1 3.95Å |
| 506 | E | 88.8 | Confident | 78.3 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 146.8 | 171.4 | -78.3 | 152 | -140.8 | 0 | 0 | 109.4 | A490 S491 R493 | A490-E506 HydrophobicContact CB-CB 4.09Å; A490-E506 PolarHBondContact N-O 2.81Å; A490-E506 PolarHBondContact O-N 3Å; S491-E506 WeakPolarHBondContact CB-OE1 3.19Å; S491-E506 WeakPolarHBondContact CB-OE2 3.39Å; S491-E506 VanDerWaalsContact OG-CD 3.23Å; S491-E506 PolarHBondContact OG-OE2 2.84Å; R493-E506 IonicContact CZ-OE1 2.89Å; R493-E506 IonicContact NH2-OE1 2.64Å; R493-E506 PolarHBondContact NH2-OE1 2.99Å |
| 507 | P | 86.6 | Confident | 79.6 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 159.2 | 175.1 | -26.4 | 35.1 | 0 | 0 | 0 | 112.9 | L509 Y518 | P507-L509 PolarHBondContact O-N 3.21Å; P507-Y518 WeakPolarHBondContact CB-OH 3.47Å |
| 508 | P | 83.3 | Confident | 81.1 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 138.1 | 177.1 | -23.8 | 35.2 | 0 | 0 | 0 | 112.8 | P486 G487 N510 C511 A575 | P486-P508 HydrophobicContact CB-CG 4.46Å; G487-P508 WeakPolarHBondContact O-CB 3.3Å; G487-P508 WeakPolarHBondContact O-CG 3.29Å; P508-N510 PolarHBondContact O-N 3.3Å; P508-C511 PolarHBondContact O-SG 3.18Å; P508-C511 VanDerWaalsContact O-SG 3.36Å; P508-A575 HydrophobicContact CG-CB 3.74Å |
| 509 | L | 73.3 | Confident | 82.3 | Confident | 148 Ų | 148 | 51.5 Ų | 51.5 | 78% | 0.775 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -62.3 | -4.1 | 174.1 | -70.2 | 173.7 | 0 | 0 | 0 | 114.6 | P507 | P507-L509 PolarHBondContact O-N 3.21Š|
| 510 | N | 70.3 | Confident | 83.4 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | trans | -144.7 | 100.4 | 167.7 | 178.8 | 4.4 | 0 | 0 | 0 | 107.4 | G487 P508 A512 | G487-N510 PolarHBondContact N-O 2.99Å; P508-N510 PolarHBondContact O-N 3.3Å; N510-A512 VanDerWaalsContact C-N 3.34Å; N510-A512 PolarHBondContact OD1-N 2.83Å | ||
| 511 | C | 64.3 | Low | 84 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 30% | 0.297 | 27% | 0.273 | S | S | . | . | trans | -75.7 | -23.4 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 113 | P486 P508 G513 I515 | P486-C511 WeakPolarHBondContact CA-O 3.37Å; P486-C511 WeakPolarHBondContact CB-O 3.5Å; P508-C511 PolarHBondContact O-SG 3.18Å; P508-C511 VanDerWaalsContact O-SG 3.36Å; C511-G513 CarbonylContact C-O 3.55Å; C511-G513 WeakPolarHBondContact CB-O 3.48Å; C511-G513 PolarHBondContact O-N 2.88Å; C511-G513 VanDerWaalsContact O-N 3.17Å; C511-I515 HydrophobicContact CB-CD1 3.88Å; C511-I515 HydrophobicContact CB-CG1 4.1Å | ||
| 512 | A | 65.6 | Low | 84.4 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 48 | 40 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F485 N510 N577 | F485-A512 WeakPolarHBondContact O-CB 3.47Å; N510-A512 VanDerWaalsContact C-N 3.34Å; N510-A512 PolarHBondContact OD1-N 2.83Å; A512-N577 PolarHBondContact O-ND2 2.89Å |
| 513 | G | 71 | Confident | 84.4 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 126.4 | -178.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C511 | C511-G513 CarbonylContact C-O 3.55Å; C511-G513 WeakPolarHBondContact CB-O 3.48Å; C511-G513 PolarHBondContact O-N 2.88Å; C511-G513 VanDerWaalsContact O-N 3.17Å |
| 514 | E | 82.9 | Confident | 84 | Confident | 144 Ų | 144 | 47.7 Ų | 47.7 | 67% | 0.673 | 26% | 0.262 | S | S | * | . | trans | -77.7 | 140.9 | 175.6 | -173.8 | 174.1 | -158.7 | 0 | 0 | 111.4 | N577 | E514-N577 VanDerWaalsContact O-CA 3.29Å; E514-N577 WeakPolarHBondContact O-CA 3.25Å; E514-N577 WeakPolarHBondContact O-CB 3.49Å | ||
| 515 | I | 86.4 | Confident | 82.7 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 18% | 0.179 | 26% | 0.261 | C | S | . | . | trans | -87.9 | 109.8 | 177 | -54.2 | -55 | 0 | 0 | 0 | 109.2 | P486 C511 Y518 A575 R576 | P486-I515 HydrophobicContact CB-CD1 3.52Å; P486-I515 HydrophobicContact CG-CD1 4.32Å; C511-I515 HydrophobicContact CB-CD1 3.88Å; C511-I515 HydrophobicContact CB-CG1 4.1Å; I515-Y518 HydrophobicContact CG2-CD2 4.48Å; I515-Y518 HydrophobicContact CG2-CE1 4.14Å; I515-Y518 HydrophobicContact CG2-CE2 3.94Å; I515-A575 HydrophobicContact CD1-CB 4.22Å; I515-A575 HydrophobicContact CG2-CB 3.99Å; I515-R576 CarbonylContact C-O 3.49Å; I515-R576 WeakPolarHBondContact CA-O 3.2Å | ||
| 516 | T | 88.6 | Confident | 81 | Confident | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | trans | -87.6 | -25.6 | -176 | 61 | 0 | 0 | 0 | 0 | 113.3 | R576 | T516-R576 PolarHBondContact N-O 2.78Å; T516-R576 PolarHBondContact OG1-O 2.96Å | ||
| 517 | E | 91.6 | Very high | 79.2 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 160.9 | 174.7 | 63.2 | 168.8 | 111 | 0 | 0 | 112 | I542 A575 R576 Y581 | E517-I542 VanDerWaalsContact OE2-CD1 3.23Å; E517-I542 WeakPolarHBondContact OE2-CD1 3.17Å; E517-I542 WeakPolarHBondContact OE2-CG1 3.36Å; E517-A575 CarbonylContact O-C 3.51Å; E517-R576 HydrophobicContact CG-CB 3.68Å; E517-R576 HydrophobicContact CG-CG 4.11Å; E517-R576 PolarHBondContact O-N 3.38Å; E517-R576 WeakPolarHBondContact OE1-CD 3.33Å; E517-R576 IonicContact OE1-CZ 2.89Å; E517-R576 IonicContact OE1-NE 3.61Å; E517-R576 IonicContact OE1-NH1 3.35Å; E517-R576 PolarHBondContact OE1-NH1 3.01Å; E517-Y581 HydrophobicContact CG-CE1 4.17Å; E517-Y581 PolarHBondContact OE1-OH 2.88Å; E517-Y581 WeakPolarHBondContact OE2-CE1 3.47Å; E517-Y581 VanDerWaalsContact OE2-CZ 3.23Å; E517-Y581 PolarHBondContact OE2-OH 2.84Å |
| 518 | Y | 94.6 | Very high | 77.3 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 152.1 | 159.1 | -62.3 | -85.4 | 0 | 0 | 0 | 110.3 | P489 W505 P507 I515 I542 G543 P544 D545 A574 A575 | P489-Y518 HydrophobicContact CG-CD1 4.22Å; P489-Y518 HydrophobicContact CG-CE1 4.24Å; W505-Y518 AromaticContact CD1-CD1 3.93Å; W505-Y518 AromaticContact CD1-CE1 3.81Å; W505-Y518 AromaticContact CE2-CG 3.92Å; W505-Y518 HydrophobicContact CZ2-CD1 4.43Å; W505-Y518 HydrophobicContact CZ2-CD2 4.34Å; W505-Y518 AromaticContact CZ2-CG 3.91Å; W505-Y518 HydrophobicContact CZ2-CG 3.91Å; W505-Y518 AromaticContact NE1-CD1 3.1Å; W505-Y518 AromaticContact NE1-CD2 3.78Å; W505-Y518 AromaticContact NE1-CE1 3.34Å; W505-Y518 VanDerWaalsContact NE1-CE1 3.34Å; W505-Y518 AromaticContact NE1-CG 3.34Å; W505-Y518 VanDerWaalsContact NE1-CG 3.34Å; W505-Y518 AromaticContact NE1-CZ 3.82Å; P507-Y518 WeakPolarHBondContact CB-OH 3.47Å; I515-Y518 HydrophobicContact CG2-CD2 4.48Å; I515-Y518 HydrophobicContact CG2-CE1 4.14Å; I515-Y518 HydrophobicContact CG2-CE2 3.94Å; Y518-I542 WeakPolarHBondContact O-CA 3.36Å; Y518-G543 PolarHBondContact N-O 3.16Å; Y518-G543 PolarHBondContact O-N 3.31Å; Y518-P544 WeakPolarHBondContact CD2-O 3.43Å; Y518-P544 WeakPolarHBondContact CE2-O 3.43Å; Y518-D545 VanDerWaalsContact CD2-O 3.3Å; Y518-D545 WeakPolarHBondContact CD2-O 3.35Å; Y518-A574 CarbonylContact C-O 3.57Å; Y518-A574 VanDerWaalsContact CA-O 3.28Å; Y518-A574 WeakPolarHBondContact CA-O 3.27Å; Y518-A575 HydrophobicContact CD1-CB 3.78Å; Y518-A575 HydrophobicContact CE1-CB 3.65Å |
| 519 | S | 92.4 | Very high | 75.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128 | 172.2 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | Y521 R539 Y541 I573 A574 | S519-Y521 VanDerWaalsContact OG-CE2 3.28Å; S519-Y521 WeakPolarHBondContact OG-CE2 3.48Å; S519-Y521 PolarHBondContact OG-OH 2.91Å; S519-R539 WeakPolarHBondContact OG-CD 3.25Å; S519-R539 WeakPolarHBondContact OG-CG 3.2Å; S519-R539 PolarHBondContact OG-NE 2.99Å; S519-Y541 WeakPolarHBondContact CA-O 3.24Å; S519-Y541 PolarHBondContact OG-O 2.86Å; S519-I573 WeakPolarHBondContact O-CA 3.35Å; S519-A574 PolarHBondContact N-O 2.97Å; S519-A574 PolarHBondContact O-N 3.09Å |
| 520 | V | 93 | Very high | 74 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.6 | 179 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | L503 W505 R539 V540 Y541 F571 R572 I573 | L503-V520 HydrophobicContact CD2-CG1 4.15Å; W505-V520 HydrophobicContact CH2-CG2 3.56Å; W505-V520 HydrophobicContact CZ2-CG2 4.26Å; W505-V520 HydrophobicContact CZ3-CG2 3.82Å; V520-R539 CarbonylContact O-C 3.52Å; V520-R539 WeakPolarHBondContact O-CA 3.44Å; V520-V540 HydrophobicContact CB-CG2 4.13Å; V520-V540 HydrophobicContact CG1-CG2 3.72Å; V520-V540 PolarHBondContact O-N 2.96Å; V520-Y541 HydrophobicContact CG2-CD1 4.09Å; V520-Y541 PolarHBondContact N-O 2.76Å; V520-Y541 PolarHBondContact O-N 2.71Å; V520-F571 HydrophobicContact CG1-CD1 4.07Å; V520-R572 CarbonylContact C-O 3.56Å; V520-R572 WeakPolarHBondContact CA-O 3.44Å; V520-I573 HydrophobicContact CG1-CG1 4.28Å; V520-I573 HydrophobicContact CG2-CD1 4.19Å; V520-I573 HydrophobicContact CG2-CG1 4.1Å; V520-I573 HydrophobicContact CG2-CG2 4.07Å |
| 521 | Y | 91.3 | Very high | 72.3 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.1 | 175.2 | -55.7 | -106.4 | 0 | 0 | 0 | 110.9 | S519 V538 R539 F571 R572 | S519-Y521 VanDerWaalsContact OG-CE2 3.28Å; S519-Y521 WeakPolarHBondContact OG-CE2 3.48Å; S519-Y521 PolarHBondContact OG-OH 2.91Å; Y521-V538 CarbonylContact C-O 3.6Å; Y521-V538 WeakPolarHBondContact CA-O 3.2Å; Y521-R539 HydrophobicContact CD1-CB 3.85Å; Y521-R539 HydrophobicContact CD1-CG 4.46Å; Y521-R539 HydrophobicContact CE1-CB 3.73Å; Y521-R539 HydrophobicContact CE1-CG 4.15Å; Y521-R539 PolarHBondContact OH-NE 3.49Å; Y521-R539 VanDerWaalsContact OH-NE 3.13Å; Y521-R539 PolarHBondContact OH-NH2 2.66Å; Y521-F571 CarbonylContact O-C 3.6Å; Y521-F571 VanDerWaalsContact O-CA 3.25Å; Y521-F571 WeakPolarHBondContact O-CA 3.49Å; Y521-R572 PolarHBondContact N-O 2.9Å; Y521-R572 PolarHBondContact O-N 3.5Å |
| 522 | L | 90.1 | Very high | 71.2 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.4 | 175.7 | 174.4 | 61.3 | 0 | 0 | 0 | 109.7 | I524 F537 V538 V540 T554 A558 V569 F571 | L522-I524 HydrophobicContact CD2-CG2 4.48Å; L522-I524 HydrophobicContact CG-CG2 4.32Å; L522-F537 CarbonylContact O-C 3.6Å; L522-F537 WeakPolarHBondContact O-CA 3.34Å; L522-V538 PolarHBondContact N-O 3.26Å; L522-V538 PolarHBondContact O-N 2.93Å; L522-V540 HydrophobicContact CB-CG1 3.65Å; L522-V540 HydrophobicContact CB-CG2 4.13Å; L522-V540 HydrophobicContact CD2-CG1 4.27Å; L522-T554 HydrophobicContact CD2-CG2 4.08Å; L522-T554 VanDerWaalsContact CD2-O 3.29Å; L522-T554 WeakPolarHBondContact CD2-O 3.32Å; L522-A558 HydrophobicContact CD1-CB 3.91Å; L522-A558 HydrophobicContact CD2-CB 4.28Å; L522-A558 HydrophobicContact CG-CB 4.36Å; L522-V569 HydrophobicContact CD1-CG1 3.39Å; L522-F571 HydrophobicContact CB-CD1 4.42Å; L522-F571 HydrophobicContact CB-CE1 4.36Å; L522-F571 HydrophobicContact CD1-CD1 4.12Å; L522-F571 HydrophobicContact CD1-CE1 3.79Å; L522-F571 HydrophobicContact CD1-CZ 4.01Å |
| 523 | A | 86 | Confident | 70.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 133.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T536 F537 A558 F559 I570 | A523-T536 CarbonylContact C-O 3.53Å; A523-T536 WeakPolarHBondContact CA-O 3.38Å; A523-F537 HydrophobicContact CB-CD1 4.12Å; A523-F537 HydrophobicContact CB-CE1 3.73Å; A523-F537 HydrophobicContact CB-CZ 3.95Å; A523-A558 CarbonylContact O-C 3.55Å; A523-A558 WeakPolarHBondContact O-CA 3.19Å; A523-F559 HydrophobicContact CB-CB 3.98Å; A523-F559 PolarHBondContact O-N 2.96Å; A523-I570 HydrophobicContact CB-CB 3.92Å; A523-I570 PolarHBondContact N-O 2.96Å |
| 524 | I | 81.4 | Confident | 69.8 | Low | 31 Ų | 31 | 68.2 Ų | 68.2 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 158.6 | -179.1 | 61.5 | 156.4 | 0 | 0 | 0 | 113.3 | L522 N526 T536 V538 Q557 | L522-I524 HydrophobicContact CD2-CG2 4.48Å; L522-I524 HydrophobicContact CG-CG2 4.32Å; I524-N526 PolarHBondContact O-N 2.88Å; I524-T536 HydrophobicContact CD1-CG2 4.04Å; I524-T536 HydrophobicContact CG1-CG2 3.9Å; I524-T536 PolarHBondContact N-O 2.89Å; I524-V538 HydrophobicContact CD1-CG2 3.48Å; I524-V538 VanDerWaalsContact CD1-CG2 3.48Å; I524-V538 HydrophobicContact CG1-CG2 3.87Å; I524-V538 HydrophobicContact CG2-CG2 4.28Å; I524-Q557 WeakPolarHBondContact CA-O 3.2Å; I524-Q557 HydrophobicContact CG2-CB 4.46Å |
| 525 | K | 63 | Low | 69 | Low | 107 Ų | 107 | 64.3 Ų | 64.3 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | trans | -72.1 | 107.5 | -179.4 | -67.2 | 168.2 | -175.7 | 125.8 | 0 | 111.5 | S527 D556 Q557 A558 | K525-S527 PolarHBondContact O-N 3.22Å; K525-D556 PolarHBondContact NZ-O 2.93Å; K525-Q557 PolarHBondContact N-O 3.48Å; K525-Q557 VanDerWaalsContact N-O 3.13Å; K525-A558 WeakPolarHBondContact CE-O 3.31Å; K525-A558 WeakPolarHBondContact CG-O 3.34Å; K525-A558 PolarHBondContact NZ-O 3.18Å | ||
| 526 | N | 56.2 | Low | 68.4 | Low | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -74.6 | -22.4 | -174.9 | -128.6 | 0.5 | 0 | 0 | 0 | 114.5 | I524 Q534 T536 | I524-N526 PolarHBondContact O-N 2.88Å; N526-Q534 PolarHBondContact ND2-O 2.83Å; N526-T536 PolarHBondContact ND2-OG1 2.91Å; N526-T536 PolarHBondContact OD1-OG1 2.63Å |
| 527 | S | 52.2 | Low | 68.2 | Low | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | trans | -172.3 | 143.7 | 164.9 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | K525 N529 | K525-S527 PolarHBondContact O-N 3.22Å; S527-N529 VanDerWaalsContact C-N 3.27Å; S527-N529 PolarHBondContact O-N 2.72Å | ||
| 528 | P | 45.8 | Very low | 67.9 | Low | 123 Ų | 123 | 65.8 Ų | 65.8 | 80% | 0.799 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.5 | 179.3 | -25.4 | 35.5 | 0 | 0 | 0 | 115.1 | ||
| 529 | N | 42.1 | Very low | 67.7 | Low | 147 Ų | 147 | 70.8 Ų | 70.8 | 79% | 0.786 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 34.4 | -161.8 | -65.7 | -9.7 | 0 | 0 | 0 | 114.1 | S527 | S527-N529 VanDerWaalsContact C-N 3.27Å; S527-N529 PolarHBondContact O-N 2.72Å |
| 530 | N | 44.8 | Very low | 67.6 | Low | 65 Ų | 65 | 72.5 Ų | 72.5 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | trans | -147.2 | 105.7 | 176.2 | -175.5 | 7.2 | 0 | 0 | 0 | 113 | N532 S533 | N530-N532 PolarHBondContact O-N 3.42Å; N530-N532 VanDerWaalsContact O-N 3.12Å; N530-N532 PolarHBondContact OD1-N 3.26Å; N530-N532 VanDerWaalsContact OD1-N 3.12Å; N530-S533 PolarHBondContact O-N 3.01Å | ||
| 531 | P | 36.1 | Very low | 67.6 | Low | 129 Ų | 129 | 74.4 Ų | 74.4 | 84% | 0.838 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.5 | -179.3 | 28.4 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 532 | N | 40.9 | Very low | 67.7 | Low | 145 Ų | 145 | 75.9 Ų | 75.9 | 78% | 0.775 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 15.7 | -176.7 | -69 | -16.7 | 0 | 0 | 0 | 114 | N530 | N530-N532 PolarHBondContact O-N 3.42Å; N530-N532 VanDerWaalsContact O-N 3.12Å; N530-N532 PolarHBondContact OD1-N 3.26Å; N530-N532 VanDerWaalsContact OD1-N 3.12Å |
| 533 | S | 49.3 | Very low | 67.7 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | trans | -78.6 | 136 | -179.4 | 70.5 | 0 | 0 | 0 | 0 | 113 | N530 | N530-S533 PolarHBondContact O-N 3.01Š| ||
| 534 | Q | 56.9 | Low | 67.9 | Low | 174 Ų | 174 | 80.9 Ų | 80.9 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | trans | -65.9 | 149.7 | 169.6 | -65.4 | -174.7 | 6.8 | 0 | 0 | 111.5 | N526 T536 | N526-Q534 PolarHBondContact ND2-O 2.83Å; Q534-T536 PolarHBondContact O-N 2.83Å | ||
| 535 | L | 65.7 | Low | 68.4 | Low | 62 Ų | 62 | 83.8 Ų | 83.8 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | trans | -70.2 | 115.5 | 178.1 | -58.7 | 178.1 | 0 | 0 | 0 | 111.4 | F537 F559 I570 | L535-F537 HydrophobicContact CB-CD2 4.27Å; L535-F537 HydrophobicContact CB-CE2 3.71Å; L535-F537 HydrophobicContact CB-CZ 4.42Å; L535-F537 HydrophobicContact CD1-CE2 4.19Å; L535-F537 HydrophobicContact CD1-CZ 4.24Å; L535-F559 HydrophobicContact CD2-CB 4.31Å; L535-F559 HydrophobicContact CD2-CD1 3.39Å; L535-F559 HydrophobicContact CD2-CD2 3.7Å; L535-F559 HydrophobicContact CD2-CE1 3.44Å; L535-F559 VanDerWaalsContact CD2-CE1 3.44Å; L535-F559 HydrophobicContact CD2-CE2 3.77Å; L535-F559 HydrophobicContact CD2-CG 3.52Å; L535-F559 HydrophobicContact CD2-CZ 3.64Å; L535-I570 HydrophobicContact CD1-CD1 3.74Å | ||
| 536 | T | 75 | Confident | 69.7 | Low | 51 Ų | 51 | 80.5 Ų | 80.5 | 31% | 0.313 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.7 | 165.1 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | A523 I524 N526 Q534 V538 | A523-T536 CarbonylContact C-O 3.53Å; A523-T536 WeakPolarHBondContact CA-O 3.38Å; I524-T536 HydrophobicContact CD1-CG2 4.04Å; I524-T536 HydrophobicContact CG1-CG2 3.9Å; I524-T536 PolarHBondContact N-O 2.89Å; N526-T536 PolarHBondContact ND2-OG1 2.91Å; N526-T536 PolarHBondContact OD1-OG1 2.63Å; Q534-T536 PolarHBondContact O-N 2.83Å; T536-V538 HydrophobicContact CG2-CG2 4.32Å |
| 537 | F | 83.4 | Confident | 71.4 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 20% | 0.202 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.1 | 175.4 | -78.5 | -90.3 | 0 | 0 | 0 | 109.9 | L522 A523 L535 I570 R572 | L522-F537 CarbonylContact O-C 3.6Å; L522-F537 WeakPolarHBondContact O-CA 3.34Å; A523-F537 HydrophobicContact CB-CD1 4.12Å; A523-F537 HydrophobicContact CB-CE1 3.73Å; A523-F537 HydrophobicContact CB-CZ 3.95Å; L535-F537 HydrophobicContact CB-CD2 4.27Å; L535-F537 HydrophobicContact CB-CE2 3.71Å; L535-F537 HydrophobicContact CB-CZ 4.42Å; L535-F537 HydrophobicContact CD1-CE2 4.19Å; L535-F537 HydrophobicContact CD1-CZ 4.24Å; F537-I570 HydrophobicContact CE1-CB 4.5Å; F537-I570 HydrophobicContact CE1-CG2 3.91Å; F537-I570 HydrophobicContact CZ-CG2 3.98Å; F537-R572 HydrophobicContact CD1-CG 4.25Å; F537-R572 HydrophobicContact CE1-CG 3.8Å; F537-R572 VanDerWaalsContact CE2-CZ 3.47Å; F537-R572 HydrophobicContact CZ-CG 4.42Å; F537-R572 VanDerWaalsContact CZ-CZ 3.41Å |
| 538 | V | 85.1 | Confident | 73.2 | Confident | 60 Ų | 60 | 76.4 Ų | 76.4 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.8 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 108.6 | Y521 L522 I524 T536 V540 | Y521-V538 CarbonylContact C-O 3.6Å; Y521-V538 WeakPolarHBondContact CA-O 3.2Å; L522-V538 PolarHBondContact N-O 3.26Å; L522-V538 PolarHBondContact O-N 2.93Å; I524-V538 HydrophobicContact CD1-CG2 3.48Å; I524-V538 VanDerWaalsContact CD1-CG2 3.48Å; I524-V538 HydrophobicContact CG1-CG2 3.87Å; I524-V538 HydrophobicContact CG2-CG2 4.28Å; T536-V538 HydrophobicContact CG2-CG2 4.32Å; V538-V540 PolarHBondContact O-N 2.98Å |
| 539 | R | 90.5 | Very high | 75.2 | Confident | 116 Ų | 116 | 74 Ų | 74 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 122.9 | 171.1 | -171.5 | -176.9 | -70.2 | 177.8 | -2.7 | 109.3 | S519 V520 Y521 | S519-R539 WeakPolarHBondContact OG-CD 3.25Å; S519-R539 WeakPolarHBondContact OG-CG 3.2Å; S519-R539 PolarHBondContact OG-NE 2.99Å; V520-R539 CarbonylContact O-C 3.52Å; V520-R539 WeakPolarHBondContact O-CA 3.44Å; Y521-R539 HydrophobicContact CD1-CB 3.85Å; Y521-R539 HydrophobicContact CD1-CG 4.46Å; Y521-R539 HydrophobicContact CE1-CB 3.73Å; Y521-R539 HydrophobicContact CE1-CG 4.15Å; Y521-R539 PolarHBondContact OH-NE 3.49Å; Y521-R539 VanDerWaalsContact OH-NE 3.13Å; Y521-R539 PolarHBondContact OH-NH2 2.66Å |
| 540 | V | 90.6 | Very high | 77.4 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -12.6 | -176.6 | -64.6 | 0 | 0 | 0 | 0 | 113.8 | V520 L522 V538 V550 T554 | V520-V540 HydrophobicContact CB-CG2 4.13Å; V520-V540 HydrophobicContact CG1-CG2 3.72Å; V520-V540 PolarHBondContact O-N 2.96Å; L522-V540 HydrophobicContact CB-CG1 3.65Å; L522-V540 HydrophobicContact CB-CG2 4.13Å; L522-V540 HydrophobicContact CD2-CG1 4.27Å; V538-V540 PolarHBondContact O-N 2.98Å; V540-V550 HydrophobicContact CB-CG1 4.11Å; V540-V550 HydrophobicContact CB-CG2 3.97Å; V540-V550 HydrophobicContact CG1-CG1 4.32Å; V540-V550 HydrophobicContact CG2-CG1 4.37Å; V540-V550 HydrophobicContact CG2-CG2 3.63Å; V540-T554 HydrophobicContact CG1-CG2 3.64Å |
| 541 | Y | 93.4 | Very high | 79.2 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 148.7 | 168.2 | 171.8 | -97.9 | 0 | 0 | 0 | 110.8 | W505 S519 V520 G543 D545 C548 | W505-Y541 HydrophobicContact CH2-CD1 4.09Å; W505-Y541 HydrophobicContact CH2-CE1 4.13Å; W505-Y541 HydrophobicContact CZ2-CE1 4.26Å; S519-Y541 WeakPolarHBondContact CA-O 3.24Å; S519-Y541 PolarHBondContact OG-O 2.86Å; V520-Y541 HydrophobicContact CG2-CD1 4.09Å; V520-Y541 PolarHBondContact N-O 2.76Å; V520-Y541 PolarHBondContact O-N 2.71Å; Y541-G543 WeakPolarHBondContact OH-CA 3.21Å; Y541-D545 VanDerWaalsContact OH-CB 3.32Å; Y541-D545 WeakPolarHBondContact OH-CB 3.3Å; Y541-D545 PolarHBondContact OH-N 2.86Å; Y541-D545 VanDerWaalsContact OH-N 3.13Å; Y541-D545 PolarHBondContact OH-OD2 3.47Å; Y541-C548 HydrophobicContact CD1-CB 3.9Å; Y541-C548 HydrophobicContact CD2-CB 3.31Å; Y541-C548 HydrophobicContact CE1-CB 4.29Å; Y541-C548 HydrophobicContact CE2-CB 3.75Å; Y541-C548 HydrophobicContact CG-CB 3.38Å |
| 542 | I | 92.7 | Very high | 81 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 45% | 0.451 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 132 | 166.5 | -178.2 | 164.3 | 0 | 0 | 0 | 107.7 | E517 Y518 | E517-I542 VanDerWaalsContact OE2-CD1 3.23Å; E517-I542 WeakPolarHBondContact OE2-CD1 3.17Å; E517-I542 WeakPolarHBondContact OE2-CG1 3.36Å; Y518-I542 WeakPolarHBondContact O-CA 3.36Å |
| 543 | G | 90.3 | Very high | 82.7 | Confident | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | 173 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y518 Y541 | Y518-G543 PolarHBondContact N-O 3.16Å; Y518-G543 PolarHBondContact O-N 3.31Å; Y541-G543 WeakPolarHBondContact OH-CA 3.21Å |
| 544 | P | 90.2 | Very high | 84.2 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -76.8 | -21.1 | -176.7 | 31.9 | -35.5 | 0 | 0 | 0 | 113.5 | Y518 | Y518-P544 WeakPolarHBondContact CD2-O 3.43Å; Y518-P544 WeakPolarHBondContact CE2-O 3.43Å |
| 545 | D | 92 | Very high | 85.2 | Confident | 92 Ų | 92 | 54 Ų | 54 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.1 | 148.9 | -170.6 | -44.8 | -75.7 | 0 | 0 | 0 | 112.8 | W505 Y518 Y541 S547 | W505-D545 VanDerWaalsContact CZ2-O 3.22Å; W505-D545 WeakPolarHBondContact CZ2-O 2.77Å; Y518-D545 VanDerWaalsContact CD2-O 3.3Å; Y518-D545 WeakPolarHBondContact CD2-O 3.35Å; Y541-D545 VanDerWaalsContact OH-CB 3.32Å; Y541-D545 WeakPolarHBondContact OH-CB 3.3Å; Y541-D545 PolarHBondContact OH-N 2.86Å; Y541-D545 VanDerWaalsContact OH-N 3.13Å; Y541-D545 PolarHBondContact OH-OD2 3.47Å; D545-S547 PolarHBondContact O-N 2.94Å |
| 546 | S | 90.5 | Very high | 85.5 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -83.9 | 20.8 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | K504 W505 | K504-S546 CarbonylContact C-O 3.57Å; K504-S546 WeakPolarHBondContact CA-O 3.15Å; W505-S546 VanDerWaalsContact CD2-O 3.27Å; W505-S546 VanDerWaalsContact CE2-C 3.47Å; W505-S546 PolarHBondContact N-O 2.86Å; W505-S546 WeakPolarHBondContact O-CB 3.29Å |
| 547 | S | 91.2 | Very high | 85.5 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 25% | 0.245 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 152.2 | 179.3 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | L503 D545 | L503-S547 CarbonylContact O-C 3.58Å; L503-S547 WeakPolarHBondContact O-CA 3.39Å; L503-S547 WeakPolarHBondContact O-CB 3.19Å; D545-S547 PolarHBondContact O-N 2.94Å |
| 548 | C | 91.5 | Very high | 85.2 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.2 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | H502 L503 W505 Y541 | H502-C548 CarbonylContact C-O 3.47Å; L503-C548 PolarHBondContact N-O 3.4Å; L503-C548 PolarHBondContact O-N 2.8Å; W505-C548 HydrophobicContact CH2-CB 4.4Å; Y541-C548 HydrophobicContact CD1-CB 3.9Å; Y541-C548 HydrophobicContact CD2-CB 3.31Å; Y541-C548 HydrophobicContact CE1-CB 4.29Å; Y541-C548 HydrophobicContact CE2-CB 3.75Å; Y541-C548 HydrophobicContact CG-CB 3.38Å |
| 549 | V | 87.7 | Confident | 84.7 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.6 | 170.1 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | H502 | H502-V549 HydrophobicContact CB-CG2 4.23Å |
| 550 | V | 87.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.2 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 108 | G500 A501 L503 V540 T554 V555 | G500-V550 CarbonylContact C-O 3.5Å; G500-V550 VanDerWaalsContact CA-O 3.3Å; G500-V550 WeakPolarHBondContact CA-O 3.44Å; A501-V550 PolarHBondContact N-O 2.97Å; A501-V550 PolarHBondContact O-N 3.47Å; L503-V550 HydrophobicContact CD1-CB 4.23Å; L503-V550 HydrophobicContact CD1-CG2 3.51Å; V540-V550 HydrophobicContact CB-CG1 4.11Å; V540-V550 HydrophobicContact CB-CG2 3.97Å; V540-V550 HydrophobicContact CG1-CG1 4.32Å; V540-V550 HydrophobicContact CG2-CG1 4.37Å; V540-V550 HydrophobicContact CG2-CG2 3.63Å; V550-T554 HydrophobicContact CG1-CG2 3.85Å; V550-V555 HydrophobicContact CB-CG2 4.34Å; V550-V555 HydrophobicContact CG1-CG2 3.91Å; V550-V555 WeakPolarHBondContact O-CG2 3.3Å |
| 551 | G | 82 | Confident | 82.2 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 151.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D499 T554 V555 | D499-G551 CarbonylContact O-C 3.6Å; D499-G551 WeakPolarHBondContact O-CA 3.46Å; G551-T554 WeakPolarHBondContact O-CB 3.32Å; G551-T554 PolarHBondContact O-N 2.6Å; G551-V555 PolarHBondContact O-N 3.1Å |
| 552 | L | 74.1 | Confident | 80.3 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -42.4 | -51.9 | -178.2 | -96.9 | 163.2 | 0 | 0 | 0 | 114.5 | S498 D499 T554 V555 D556 | S498-L552 WeakPolarHBondContact O-CD1 3.48Å; D499-L552 WeakPolarHBondContact O-CB 3.49Å; D499-L552 PolarHBondContact O-N 2.92Å; L552-T554 PolarHBondContact O-N 3.44Å; L552-V555 PolarHBondContact O-N 2.94Å; L552-D556 PolarHBondContact O-N 2.92Å |
| 553 | P | 77.9 | Confident | 78.1 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.6 | -24.1 | -178.4 | -25.2 | 35.5 | 0 | 0 | 0 | 114.5 | Q557 | P553-Q557 WeakPolarHBondContact O-CG 3.37Å; P553-Q557 PolarHBondContact O-NE2 3.49Å |
| 554 | T | 80.2 | Confident | 75.8 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -86.4 | -35.7 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | L522 V540 V550 G551 L552 | L522-T554 HydrophobicContact CD2-CG2 4.08Å; L522-T554 VanDerWaalsContact CD2-O 3.29Å; L522-T554 WeakPolarHBondContact CD2-O 3.32Å; V540-T554 HydrophobicContact CG1-CG2 3.64Å; V550-T554 HydrophobicContact CG1-CG2 3.85Å; G551-T554 WeakPolarHBondContact O-CB 3.32Å; G551-T554 PolarHBondContact O-N 2.6Å; L552-T554 PolarHBondContact O-N 3.44Å |
| 555 | V | 78.6 | Confident | 73.5 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 21% | 0.212 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.7 | -37 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | A501 V550 G551 L552 Q557 A558 | A501-V555 HydrophobicContact CB-CG2 4.13Å; V550-V555 HydrophobicContact CB-CG2 4.34Å; V550-V555 HydrophobicContact CG1-CG2 3.91Å; V550-V555 WeakPolarHBondContact O-CG2 3.3Å; G551-V555 PolarHBondContact O-N 3.1Å; L552-V555 PolarHBondContact O-N 2.94Å; V555-Q557 PolarHBondContact O-N 3.16Å; V555-A558 WeakPolarHBondContact O-CB 3.35Å; V555-A558 PolarHBondContact O-N 3.08Å |
| 556 | D | 70.2 | Confident | 71.1 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.1 | 179.7 | -69.4 | -32 | 0 | 0 | 0 | 113.1 | K525 L552 A558 | K525-D556 PolarHBondContact NZ-O 2.93Å; L552-D556 PolarHBondContact O-N 2.92Å; D556-A558 PolarHBondContact O-N 3.21Å |
| 557 | Q | 75.7 | Confident | 69 | Low | 115 Ų | 115 | 50.5 Ų | 50.5 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.5 | 174.2 | -64.8 | 176.8 | 57.9 | 0 | 0 | 113.5 | I524 K525 P553 V555 | I524-Q557 WeakPolarHBondContact CA-O 3.2Å; I524-Q557 HydrophobicContact CG2-CB 4.46Å; K525-Q557 PolarHBondContact N-O 3.48Å; K525-Q557 VanDerWaalsContact N-O 3.13Å; P553-Q557 WeakPolarHBondContact O-CG 3.37Å; P553-Q557 PolarHBondContact O-NE2 3.49Å; V555-Q557 PolarHBondContact O-N 3.16Å |
| 558 | A | 77.2 | Confident | 67.5 | Low | 3 Ų | 3 | 48.9 Ų | 48.9 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 143.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L522 A523 K525 V555 D556 V569 | L522-A558 HydrophobicContact CD1-CB 3.91Å; L522-A558 HydrophobicContact CD2-CB 4.28Å; L522-A558 HydrophobicContact CG-CB 4.36Å; A523-A558 CarbonylContact O-C 3.55Å; A523-A558 WeakPolarHBondContact O-CA 3.19Å; K525-A558 WeakPolarHBondContact CE-O 3.31Å; K525-A558 WeakPolarHBondContact CG-O 3.34Å; K525-A558 PolarHBondContact NZ-O 3.18Å; V555-A558 WeakPolarHBondContact O-CB 3.35Å; V555-A558 PolarHBondContact O-N 3.08Å; D556-A558 PolarHBondContact O-N 3.21Å; A558-V569 HydrophobicContact CB-CG1 3.96Å; A558-V569 HydrophobicContact CB-CG2 4.09Å |
| 559 | F | 75.1 | Confident | 66.6 | Low | 54 Ų | 54 | 48.7 Ų | 48.7 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | trans | -69.9 | 127 | 163.4 | -179.3 | -94.1 | 0 | 0 | 0 | 109.2 | A523 L535 D561 I570 | A523-F559 HydrophobicContact CB-CB 3.98Å; A523-F559 PolarHBondContact O-N 2.96Å; L535-F559 HydrophobicContact CD2-CB 4.31Å; L535-F559 HydrophobicContact CD2-CD1 3.39Å; L535-F559 HydrophobicContact CD2-CD2 3.7Å; L535-F559 HydrophobicContact CD2-CE1 3.44Å; L535-F559 VanDerWaalsContact CD2-CE1 3.44Å; L535-F559 HydrophobicContact CD2-CE2 3.77Å; L535-F559 HydrophobicContact CD2-CG 3.52Å; L535-F559 HydrophobicContact CD2-CZ 3.64Å; F559-D561 HydrophobicContact CD1-CB 4.27Å; F559-D561 VanDerWaalsContact CE1-CA 3.5Å; F559-D561 HydrophobicContact CE1-CB 3.82Å; F559-I570 HydrophobicContact CD1-CD1 4.28Å | ||
| 560 | L | 66.8 | Low | 66.3 | Low | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.6 | 173.2 | -70.7 | 164.2 | 0 | 0 | 0 | 107.9 | M562 P567 V569 Y593 | L560-M562 PolarHBondContact O-N 2.83Å; L560-P567 HydrophobicContact CB-CB 4.36Å; L560-V569 HydrophobicContact CD2-CG2 3.85Å; L560-Y593 HydrophobicContact CD1-CE2 4.09Å; L560-Y593 HydrophobicContact CD2-CE2 4.27Å |
| 561 | D | 60.6 | Low | 66.3 | Low | 31 Ų | 31 | 45.3 Ų | 45.3 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 92.5 | 178.3 | -168.1 | -10.7 | 0 | 0 | 0 | 110.7 | F559 S563 S564 P567 A568 I570 | F559-D561 HydrophobicContact CD1-CB 4.27Å; F559-D561 VanDerWaalsContact CE1-CA 3.5Å; F559-D561 HydrophobicContact CE1-CB 3.82Å; D561-S563 PolarHBondContact O-N 2.55Å; D561-S563 WeakPolarHBondContact OD1-CA 3.48Å; D561-S563 VanDerWaalsContact OD1-CB 3.25Å; D561-S563 WeakPolarHBondContact OD1-CB 3.29Å; D561-S563 PolarHBondContact OD1-N 3Å; D561-S563 PolarHBondContact OD1-OG 3.3Å; D561-S563 PolarHBondContact OD2-OG 3.17Å; D561-S564 PolarHBondContact O-N 2.77Å; D561-S564 PolarHBondContact O-OG 3.18Å; D561-P567 WeakPolarHBondContact O-CA 3.4Å; D561-A568 HydrophobicContact CB-CB 4.36Å; D561-A568 WeakPolarHBondContact CB-O 3.48Å; D561-A568 PolarHBondContact N-O 3.12Å; D561-A568 PolarHBondContact O-N 3.3Å; D561-I570 HydrophobicContact CB-CD1 4.03Å; D561-I570 HydrophobicContact CB-CG1 4.24Å |
| 562 | M | 54.6 | Low | 66.7 | Low | 108 Ų | 108 | 48.1 Ų | 48.1 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.9 | 174.7 | -54.8 | -60.4 | -59.5 | 0 | 0 | 113.2 | L560 S564 P567 | L560-M562 PolarHBondContact O-N 2.83Å; M562-S564 VanDerWaalsContact C-N 3.27Å; M562-P567 HydrophobicContact CE-CB 4.45Å; M562-P567 HydrophobicContact CE-CG 3.73Å; M562-P567 HydrophobicContact SD-CB 3.62Å; M562-P567 HydrophobicContact SD-CG 3.56Å; M562-P567 VanDerWaalsContact SD-CG 3.56Å |
| 563 | S | 46.9 | Very low | 67.5 | Low | 110 Ų | 110 | 45.1 Ų | 45.1 | 77% | 0.769 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.7 | 173.2 | 79 | 0 | 0 | 0 | 0 | 112.9 | D561 | D561-S563 PolarHBondContact O-N 2.55Å; D561-S563 WeakPolarHBondContact OD1-CA 3.48Å; D561-S563 VanDerWaalsContact OD1-CB 3.25Å; D561-S563 WeakPolarHBondContact OD1-CB 3.29Å; D561-S563 PolarHBondContact OD1-N 3Å; D561-S563 PolarHBondContact OD1-OG 3.3Å; D561-S563 PolarHBondContact OD2-OG 3.17Å |
| 564 | S | 41.3 | Very low | 68.1 | Low | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -102 | 148.5 | 162.2 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | D561 M562 P566 A568 | D561-S564 PolarHBondContact O-N 2.77Å; D561-S564 PolarHBondContact O-OG 3.18Å; M562-S564 VanDerWaalsContact C-N 3.27Å; S564-P566 CarbonylContact C-O 3.58Å; S564-P566 CarbonylContact O-C 3.55Å; S564-A568 WeakPolarHBondContact OG-CB 3.42Å |
| 565 | T | 42.3 | Very low | 68.6 | Low | 55 Ų | 55 | 38.4 Ų | 38.4 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -118.7 | 125 | 167.3 | -36.8 | 0 | 0 | 0 | 0 | 108.9 | E717 | T565-E717 HydrophobicContact CG2-CB 4.31Š|
| 566 | P | 41.8 | Very low | 69.1 | Low | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | S | Bend | cis | -68.8 | 162.5 | -0.4 | 30.6 | -24.3 | 0 | 0 | 0 | 109.6 | S564 A568 L590 E717 | S564-P566 CarbonylContact C-O 3.58Å; S564-P566 CarbonylContact O-C 3.55Å; P566-A568 PolarHBondContact O-N 2.73Å; P566-L590 HydrophobicContact CG-CB 3.73Å; P566-E717 WeakPolarHBondContact CA-OE2 3.44Å; P566-E717 WeakPolarHBondContact CB-OE2 3.47Å; P566-E717 VanDerWaalsContact CD-OE2 3.25Å; P566-E717 WeakPolarHBondContact CD-OE2 3.21Å |
| 567 | P | 45.8 | Very low | 69.9 | Low | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -50.9 | 141.9 | 173.8 | -26.4 | 35.6 | 0 | 0 | 0 | 110.3 | L560 D561 M562 T591 Y593 | L560-P567 HydrophobicContact CB-CB 4.36Å; D561-P567 WeakPolarHBondContact O-CA 3.4Å; M562-P567 HydrophobicContact CE-CB 4.45Å; M562-P567 HydrophobicContact CE-CG 3.73Å; M562-P567 HydrophobicContact SD-CB 3.62Å; M562-P567 HydrophobicContact SD-CG 3.56Å; M562-P567 VanDerWaalsContact SD-CG 3.56Å; P567-T591 PolarHBondContact O-N 2.71Å; P567-T591 PolarHBondContact O-OG1 3.01Å; P567-Y593 HydrophobicContact CB-CD2 3.84Å; P567-Y593 HydrophobicContact CB-CE2 3.71Å; P567-Y593 HydrophobicContact CG-CD2 3.78Å; P567-Y593 HydrophobicContact CG-CE2 3.76Å; P567-Y593 HydrophobicContact CG-CG 4.45Å | ||
| 568 | A | 58.9 | Low | 70.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.5 | -167 | 0 | 0 | 0 | 0 | 0 | 114.5 | D561 S564 P566 T588 K589 | D561-A568 HydrophobicContact CB-CB 4.36Å; D561-A568 WeakPolarHBondContact CB-O 3.48Å; D561-A568 PolarHBondContact N-O 3.12Å; D561-A568 PolarHBondContact O-N 3.3Å; S564-A568 WeakPolarHBondContact OG-CB 3.42Å; P566-A568 PolarHBondContact O-N 2.73Å; A568-T588 HydrophobicContact CB-CG2 3.36Å; A568-K589 CarbonylContact C-O 3.53Å; A568-K589 WeakPolarHBondContact CA-O 3.38Å; A568-K589 WeakPolarHBondContact CB-O 3.46Å |
| 569 | V | 72.3 | Confident | 70.3 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.7 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | L522 A558 L560 F571 K589 T591 | L522-V569 HydrophobicContact CD1-CG1 3.39Å; A558-V569 HydrophobicContact CB-CG1 3.96Å; A558-V569 HydrophobicContact CB-CG2 4.09Å; L560-V569 HydrophobicContact CD2-CG2 3.85Å; V569-F571 HydrophobicContact CB-CE2 4.3Å; V569-F571 HydrophobicContact CG1-CD2 4.04Å; V569-F571 HydrophobicContact CG1-CE2 3.53Å; V569-F571 HydrophobicContact CG1-CZ 3.95Å; V569-K589 PolarHBondContact N-O 3.47Å; V569-K589 VanDerWaalsContact N-O 3.14Å; V569-K589 PolarHBondContact O-N 3.28Å; V569-T591 HydrophobicContact CB-CG2 4.33Å; V569-T591 HydrophobicContact CG2-CG2 3.72Å |
| 570 | I | 82.4 | Confident | 70.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.6 | -177.3 | -50.6 | 171.1 | 0 | 0 | 0 | 110.3 | A523 L535 F537 F559 D561 Q586 T588 | A523-I570 HydrophobicContact CB-CB 3.92Å; A523-I570 PolarHBondContact N-O 2.96Å; L535-I570 HydrophobicContact CD1-CD1 3.74Å; F537-I570 HydrophobicContact CE1-CB 4.5Å; F537-I570 HydrophobicContact CE1-CG2 3.91Å; F537-I570 HydrophobicContact CZ-CG2 3.98Å; F559-I570 HydrophobicContact CD1-CD1 4.28Å; D561-I570 HydrophobicContact CB-CD1 4.03Å; D561-I570 HydrophobicContact CB-CG1 4.24Å; I570-Q586 VanDerWaalsContact CG2-CD 3.47Å; I570-Q586 HydrophobicContact CG2-CG 3.54Å; I570-T588 HydrophobicContact CG1-CG2 4.49Å |
| 571 | F | 88.1 | Confident | 71.4 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 155 | 167.3 | -66.8 | -85.7 | 0 | 0 | 0 | 111.1 | L503 V520 Y521 L522 V569 Q586 W587 | L503-F571 HydrophobicContact CD1-CE1 4.12Å; L503-F571 HydrophobicContact CD1-CZ 4.46Å; L503-F571 HydrophobicContact CD2-CB 4.34Å; L503-F571 HydrophobicContact CD2-CD1 3.66Å; L503-F571 HydrophobicContact CD2-CD2 4.24Å; L503-F571 HydrophobicContact CD2-CE1 3.89Å; L503-F571 HydrophobicContact CD2-CE2 4.44Å; L503-F571 HydrophobicContact CD2-CG 3.83Å; L503-F571 HydrophobicContact CD2-CZ 4.28Å; V520-F571 HydrophobicContact CG1-CD1 4.07Å; Y521-F571 CarbonylContact O-C 3.6Å; Y521-F571 VanDerWaalsContact O-CA 3.25Å; Y521-F571 WeakPolarHBondContact O-CA 3.49Å; L522-F571 HydrophobicContact CB-CD1 4.42Å; L522-F571 HydrophobicContact CB-CE1 4.36Å; L522-F571 HydrophobicContact CD1-CD1 4.12Å; L522-F571 HydrophobicContact CD1-CE1 3.79Å; L522-F571 HydrophobicContact CD1-CZ 4.01Å; V569-F571 HydrophobicContact CB-CE2 4.3Å; V569-F571 HydrophobicContact CG1-CD2 4.04Å; V569-F571 HydrophobicContact CG1-CE2 3.53Å; V569-F571 HydrophobicContact CG1-CZ 3.95Å; F571-Q586 CarbonylContact O-C 3.58Å; F571-Q586 WeakPolarHBondContact O-CA 3.3Å; F571-W587 HydrophobicContact CD2-CE3 4.22Å; F571-W587 PolarHBondContact N-O 3.25Å; F571-W587 PolarHBondContact O-N 3.23Å; F571-W587 VanDerWaalsContact O-O 3.09Å |
| 572 | R | 89.6 | Confident | 72.3 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.2 | 168.2 | -72.7 | 179.3 | 174.7 | 169.9 | 0.8 | 109.6 | V520 Y521 F537 A584 T585 Q586 | V520-R572 CarbonylContact C-O 3.56Å; V520-R572 WeakPolarHBondContact CA-O 3.44Å; Y521-R572 PolarHBondContact N-O 2.9Å; Y521-R572 PolarHBondContact O-N 3.5Å; F537-R572 HydrophobicContact CD1-CG 4.25Å; F537-R572 HydrophobicContact CE1-CG 3.8Å; F537-R572 VanDerWaalsContact CE2-CZ 3.47Å; F537-R572 HydrophobicContact CZ-CG 4.42Å; F537-R572 VanDerWaalsContact CZ-CZ 3.41Å; R572-A584 HydrophobicContact CB-CB 4.31Å; R572-T585 WeakPolarHBondContact CA-O 3.31Å; R572-Q586 HydrophobicContact CG-CB 3.97Å; R572-Q586 HydrophobicContact CG-CG 3.96Å; R572-Q586 VanDerWaalsContact CZ-OE1 3.31Å |
| 573 | I | 91.5 | Very high | 73.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.8 | -178.2 | -45.7 | -168.7 | 0 | 0 | 0 | 109.3 | P489 I492 L503 W505 S519 V520 A584 T585 | P489-I573 HydrophobicContact CB-CG2 4.37Å; P489-I573 WeakPolarHBondContact CD-O 2.99Å; P489-I573 HydrophobicContact CG-CG2 4.13Å; I492-I573 HydrophobicContact CD1-CB 4.15Å; I492-I573 HydrophobicContact CD1-CD1 3.78Å; I492-I573 HydrophobicContact CD1-CG1 3.94Å; I492-I573 HydrophobicContact CG1-CD1 4.09Å; I492-I573 HydrophobicContact CG2-CD1 3.86Å; L503-I573 HydrophobicContact CD2-CD1 4.26Å; W505-I573 HydrophobicContact CD2-CD1 3.94Å; W505-I573 HydrophobicContact CD2-CG2 3.91Å; W505-I573 HydrophobicContact CE3-CD1 3.47Å; W505-I573 VanDerWaalsContact CE3-CD1 3.47Å; W505-I573 HydrophobicContact CE3-CG2 4.32Å; W505-I573 HydrophobicContact CG-CD1 4.45Å; W505-I573 HydrophobicContact CG-CG2 4.28Å; W505-I573 HydrophobicContact CZ2-CG2 4.21Å; W505-I573 HydrophobicContact CZ3-CD1 3.95Å; S519-I573 WeakPolarHBondContact O-CA 3.35Å; V520-I573 HydrophobicContact CG1-CG1 4.28Å; V520-I573 HydrophobicContact CG2-CD1 4.19Å; V520-I573 HydrophobicContact CG2-CG1 4.1Å; V520-I573 HydrophobicContact CG2-CG2 4.07Å; I573-A584 CarbonylContact O-C 3.47Å; I573-A584 VanDerWaalsContact O-CA 3.26Å; I573-A584 WeakPolarHBondContact O-CA 3.38Å; I573-T585 PolarHBondContact N-O 2.99Å; I573-T585 PolarHBondContact O-N 3.14Å |
| 574 | A | 90.7 | Very high | 75.1 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y518 S519 Y581 A584 | Y518-A574 CarbonylContact C-O 3.57Å; Y518-A574 VanDerWaalsContact CA-O 3.28Å; Y518-A574 WeakPolarHBondContact CA-O 3.27Å; S519-A574 PolarHBondContact N-O 2.97Å; S519-A574 PolarHBondContact O-N 3.09Å; A574-Y581 HydrophobicContact CB-CD1 4.3Å; A574-A584 HydrophobicContact CB-CB 4.01Å |
| 575 | A | 89.7 | Confident | 77 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 156.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | P486 P489 P508 I515 E517 Y518 Y581 G582 | P486-A575 HydrophobicContact CB-CB 4.35Å; P486-A575 HydrophobicContact CG-CB 4.3Å; P486-A575 WeakPolarHBondContact CG-O 3.43Å; P489-A575 HydrophobicContact CG-CB 4.19Å; P508-A575 HydrophobicContact CG-CB 3.74Å; I515-A575 HydrophobicContact CD1-CB 4.22Å; I515-A575 HydrophobicContact CG2-CB 3.99Å; E517-A575 CarbonylContact O-C 3.51Å; Y518-A575 HydrophobicContact CD1-CB 3.78Å; Y518-A575 HydrophobicContact CE1-CB 3.65Å; A575-Y581 CarbonylContact O-C 3.43Å; A575-Y581 WeakPolarHBondContact O-CA 3.37Å; A575-G582 PolarHBondContact O-N 2.87Å |
| 576 | R | 89.3 | Confident | 78.8 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.2 | 173.4 | 166.2 | 173 | 176.4 | -158 | 3.7 | 111.3 | I515 T516 E517 G580 Y581 | I515-R576 CarbonylContact C-O 3.49Å; I515-R576 WeakPolarHBondContact CA-O 3.2Å; T516-R576 PolarHBondContact N-O 2.78Å; T516-R576 PolarHBondContact OG1-O 2.96Å; E517-R576 HydrophobicContact CG-CB 3.68Å; E517-R576 HydrophobicContact CG-CG 4.11Å; E517-R576 PolarHBondContact O-N 3.38Å; E517-R576 WeakPolarHBondContact OE1-CD 3.33Å; E517-R576 IonicContact OE1-CZ 2.89Å; E517-R576 IonicContact OE1-NE 3.61Å; E517-R576 IonicContact OE1-NH1 3.35Å; E517-R576 PolarHBondContact OE1-NH1 3.01Å; R576-G580 WeakPolarHBondContact CA-O 3.49Å; R576-Y581 HydrophobicContact CB-CD1 3.56Å; R576-Y581 HydrophobicContact CB-CE1 3.81Å; R576-Y581 HydrophobicContact CB-CG 4.04Å; R576-Y581 HydrophobicContact CG-CD1 4.46Å |
| 577 | N | 86.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -169.9 | 165.9 | 70.5 | 6.6 | 0 | 0 | 0 | 109.9 | G484 A512 E514 K579 G580 | G484-N577 PolarHBondContact O-ND2 3.12Å; A512-N577 PolarHBondContact O-ND2 2.89Å; E514-N577 VanDerWaalsContact O-CA 3.29Å; E514-N577 WeakPolarHBondContact O-CA 3.25Å; E514-N577 WeakPolarHBondContact O-CB 3.49Å; N577-K579 PolarHBondContact O-N 2.85Å; N577-K579 VanDerWaalsContact O-N 3.07Å; N577-K579 WeakPolarHBondContact OD1-CA 3.37Å; N577-K579 WeakPolarHBondContact OD1-CB 3.23Å; N577-K579 PolarHBondContact OD1-N 2.99Å; N577-G580 PolarHBondContact N-O 3.34Å; N577-G580 VanDerWaalsContact N-O 3.17Å; N577-G580 PolarHBondContact O-N 3.36Å; N577-G580 PolarHBondContact OD1-N 3.24Å; N577-G580 PolarHBondContact OD1-O 2.93Å |
| 578 | Q | 83.9 | Confident | 80.9 | Confident | 172 Ų | 172 | 46.7 Ų | 46.7 | 80% | 0.804 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -26.8 | 176.5 | -62.9 | 176.1 | 1.1 | 0 | 0 | 114.5 | ||
| 579 | K | 78.9 | Confident | 80.6 | Confident | 143 Ų | 143 | 48.3 Ų | 48.3 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13.5 | 177.8 | -65.8 | -171 | 177.9 | 179.8 | 0 | 114.2 | F485 N577 | F485-K579 HydrophobicContact CE1-CB 4.37Å; F485-K579 WeakPolarHBondContact CE1-O 3.41Å; F485-K579 HydrophobicContact CZ-CB 4.46Å; N577-K579 PolarHBondContact O-N 2.85Å; N577-K579 VanDerWaalsContact O-N 3.07Å; N577-K579 WeakPolarHBondContact OD1-CA 3.37Å; N577-K579 WeakPolarHBondContact OD1-CB 3.23Å; N577-K579 PolarHBondContact OD1-N 2.99Å |
| 580 | G | 82.1 | Confident | 79.3 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.1 | -170.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R576 N577 | R576-G580 WeakPolarHBondContact CA-O 3.49Å; N577-G580 PolarHBondContact N-O 3.34Å; N577-G580 VanDerWaalsContact N-O 3.17Å; N577-G580 PolarHBondContact O-N 3.36Å; N577-G580 PolarHBondContact OD1-N 3.24Å; N577-G580 PolarHBondContact OD1-O 2.93Å |
| 581 | Y | 83.1 | Confident | 77.1 | Confident | 77 Ų | 77 | 53.2 Ų | 53.2 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.5 | -179.1 | -64 | -82.5 | 0 | 0 | 0 | 112.2 | F485 E517 A574 A575 R576 | F485-Y581 WeakPolarHBondContact CD1-O 3.25Å; E517-Y581 HydrophobicContact CG-CE1 4.17Å; E517-Y581 PolarHBondContact OE1-OH 2.88Å; E517-Y581 WeakPolarHBondContact OE2-CE1 3.47Å; E517-Y581 VanDerWaalsContact OE2-CZ 3.23Å; E517-Y581 PolarHBondContact OE2-OH 2.84Å; A574-Y581 HydrophobicContact CB-CD1 4.3Å; A575-Y581 CarbonylContact O-C 3.43Å; A575-Y581 WeakPolarHBondContact O-CA 3.37Å; R576-Y581 HydrophobicContact CB-CD1 3.56Å; R576-Y581 HydrophobicContact CB-CE1 3.81Å; R576-Y581 HydrophobicContact CB-CG 4.04Å; R576-Y581 HydrophobicContact CG-CD1 4.46Å |
| 582 | G | 79.1 | Confident | 74.7 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | trans | -75.2 | 179.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P486 A575 A584 | P486-G582 WeakPolarHBondContact O-CA 3.28Å; A575-G582 PolarHBondContact O-N 2.87Å; G582-A584 PolarHBondContact O-N 2.92Å | ||
| 583 | P | 78.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | trans | -64.4 | 132.8 | 174.6 | 27.3 | -31 | 0 | 0 | 0 | 110.8 | P486 A488 | P486-P583 VanDerWaalsContact O-CD 3.27Å; P486-P583 WeakPolarHBondContact O-CD 3.46Å; A488-P583 VanDerWaalsContact CA-O 3.26Å; A488-P583 WeakPolarHBondContact CA-O 3.3Å; A488-P583 HydrophobicContact CB-CG 4.21Å; A488-P583 VanDerWaalsContact CB-O 3.23Å; A488-P583 WeakPolarHBondContact CB-O 3.31Å | ||
| 584 | A | 81.2 | Confident | 69.4 | Low | 52 Ų | 52 | 56.9 Ų | 56.9 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | trans | -76 | 131.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R572 I573 A574 G582 Q586 | R572-A584 HydrophobicContact CB-CB 4.31Å; I573-A584 CarbonylContact O-C 3.47Å; I573-A584 VanDerWaalsContact O-CA 3.26Å; I573-A584 WeakPolarHBondContact O-CA 3.38Å; A574-A584 HydrophobicContact CB-CB 4.01Å; G582-A584 PolarHBondContact O-N 2.92Å; A584-Q586 PolarHBondContact O-N 3.34Å | ||
| 585 | T | 81.2 | Confident | 67.2 | Low | 39 Ų | 39 | 56.9 Ų | 56.9 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.3 | 165 | -60.5 | 0 | 0 | 0 | 0 | 108.3 | A488 P489 I492 R572 I573 | A488-T585 WeakPolarHBondContact CB-OG1 3.48Å; P489-T585 WeakPolarHBondContact O-CB 3.4Å; P489-T585 PolarHBondContact O-OG1 2.97Å; I492-T585 HydrophobicContact CD1-CG2 3.49Å; I492-T585 VanDerWaalsContact CD1-CG2 3.49Å; I492-T585 HydrophobicContact CG1-CG2 4.49Å; R572-T585 WeakPolarHBondContact CA-O 3.31Å; I573-T585 PolarHBondContact N-O 2.99Å; I573-T585 PolarHBondContact O-N 3.14Å |
| 586 | Q | 80.1 | Confident | 65.4 | Low | 87 Ų | 87 | 63.4 Ų | 63.4 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.7 | 167.9 | -175 | 173.4 | -56.1 | 0 | 0 | 109.2 | I570 F571 R572 A584 | I570-Q586 VanDerWaalsContact CG2-CD 3.47Å; I570-Q586 HydrophobicContact CG2-CG 3.54Å; F571-Q586 CarbonylContact O-C 3.58Å; F571-Q586 WeakPolarHBondContact O-CA 3.3Å; R572-Q586 HydrophobicContact CG-CB 3.97Å; R572-Q586 HydrophobicContact CG-CG 3.96Å; R572-Q586 VanDerWaalsContact CZ-OE1 3.31Å; A584-Q586 PolarHBondContact O-N 3.34Å |
| 587 | W | 71.1 | Confident | 64.1 | Low | 61 Ų | 61 | 64.1 Ų | 64.1 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.5 | 175.5 | -166.6 | 82.5 | 0 | 0 | 0 | 109.7 | I492 V494 F571 K589 | I492-W587 HydrophobicContact CB-CB 4.21Å; I492-W587 HydrophobicContact CB-CD2 4.41Å; I492-W587 HydrophobicContact CB-CG 3.85Å; I492-W587 HydrophobicContact CD1-CB 3.86Å; I492-W587 HydrophobicContact CD1-CG 4.42Å; I492-W587 HydrophobicContact CG2-CB 3.9Å; I492-W587 HydrophobicContact CG2-CD2 3.8Å; I492-W587 HydrophobicContact CG2-CE3 4.3Å; I492-W587 HydrophobicContact CG2-CG 3.6Å; I492-W587 PolarHBondContact O-NE1 3.39Å; V494-W587 HydrophobicContact CB-CE3 4.38Å; V494-W587 HydrophobicContact CB-CH2 3.56Å; V494-W587 HydrophobicContact CB-CZ3 3.4Å; V494-W587 HydrophobicContact CG1-CZ3 4.41Å; V494-W587 HydrophobicContact CG2-CD2 4.46Å; V494-W587 HydrophobicContact CG2-CE3 3.62Å; V494-W587 HydrophobicContact CG2-CH2 3.63Å; V494-W587 HydrophobicContact CG2-CZ2 4.47Å; V494-W587 HydrophobicContact CG2-CZ3 3.11Å; F571-W587 HydrophobicContact CD2-CE3 4.22Å; F571-W587 PolarHBondContact N-O 3.25Å; F571-W587 PolarHBondContact O-N 3.23Å; F571-W587 VanDerWaalsContact O-O 3.09Å; W587-K589 HydrophobicContact CE3-CB 4.01Å; W587-K589 HydrophobicContact CH2-CB 3.75Å; W587-K589 HydrophobicContact CH2-CD 3.8Å; W587-K589 HydrophobicContact CH2-CG 3.52Å; W587-K589 HydrophobicContact CZ3-CB 3.3Å; W587-K589 HydrophobicContact CZ3-CD 3.89Å; W587-K589 HydrophobicContact CZ3-CG 3.59Å |
| 588 | T | 61 | Low | 63.5 | Low | 53 Ų | 53 | 64.5 Ų | 64.5 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 98.6 | -172.3 | -58 | 0 | 0 | 0 | 0 | 106.2 | A568 I570 L590 | A568-T588 HydrophobicContact CB-CG2 3.36Å; I570-T588 HydrophobicContact CG1-CG2 4.49Å; T588-L590 PolarHBondContact O-N 3.13Å |
| 589 | K | 53.4 | Low | 63.3 | Low | 34 Ų | 34 | 61.7 Ų | 61.7 | 15% | 0.148 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.7 | 179.4 | -163.6 | 166.7 | 179 | 172.4 | 0 | 107.5 | V494 A568 V569 W587 T591 | V494-K589 HydrophobicContact CB-CD 4.33Å; V494-K589 HydrophobicContact CG1-CD 4.46Å; V494-K589 PolarHBondContact O-NZ 3.46Å; A568-K589 CarbonylContact C-O 3.53Å; A568-K589 WeakPolarHBondContact CA-O 3.38Å; A568-K589 WeakPolarHBondContact CB-O 3.46Å; V569-K589 PolarHBondContact N-O 3.47Å; V569-K589 VanDerWaalsContact N-O 3.14Å; V569-K589 PolarHBondContact O-N 3.28Å; W587-K589 HydrophobicContact CE3-CB 4.01Å; W587-K589 HydrophobicContact CH2-CB 3.75Å; W587-K589 HydrophobicContact CH2-CD 3.8Å; W587-K589 HydrophobicContact CH2-CG 3.52Å; W587-K589 HydrophobicContact CZ3-CB 3.3Å; W587-K589 HydrophobicContact CZ3-CD 3.89Å; W587-K589 HydrophobicContact CZ3-CG 3.59Å; K589-T591 PolarHBondContact O-N 2.85Å |
| 590 | L | 44.3 | Very low | 63.6 | Low | 79 Ų | 79 | 56.2 Ų | 56.2 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 93.2 | 154.1 | -49.3 | 179.1 | 0 | 0 | 0 | 105.4 | P566 T588 D592 | P566-L590 HydrophobicContact CG-CB 3.73Å; T588-L590 PolarHBondContact O-N 3.13Å; L590-D592 PolarHBondContact O-N 3.42Å; L590-D592 VanDerWaalsContact O-N 3.08Å |
| 591 | T | 36.9 | Very low | 64 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | trans | -66.7 | 116.4 | 175.5 | 19.3 | 0 | 0 | 0 | 0 | 105.4 | P567 V569 K589 Y593 | P567-T591 PolarHBondContact O-N 2.71Å; P567-T591 PolarHBondContact O-OG1 3.01Å; V569-T591 HydrophobicContact CB-CG2 4.33Å; V569-T591 HydrophobicContact CG2-CG2 3.72Å; K589-T591 PolarHBondContact O-N 2.85Å; T591-Y593 PolarHBondContact O-N 3.44Å | ||
| 592 | D | 37.8 | Very low | 64.4 | Low | 51 Ų | 51 | 53.3 Ų | 53.3 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -57 | 99.9 | 169.5 | -51.7 | -76.7 | 0 | 0 | 0 | 105.2 | L590 T594 R713 | L590-D592 PolarHBondContact O-N 3.42Å; L590-D592 VanDerWaalsContact O-N 3.08Å; D592-T594 PolarHBondContact O-N 3.29Å; D592-R713 IonicContact OD1-NH2 3.11Å; D592-R713 PolarHBondContact OD1-NH2 2.84Å; D592-R713 VanDerWaalsContact OD1-NH2 3.08Å | ||
| 593 | Y | 33.2 | Very low | 65.1 | Low | 64 Ų | 64 | 53.3 Ų | 53.3 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | trans | -80 | 76.3 | -162.8 | -153.1 | -89.6 | 0 | 0 | 0 | 107.1 | L560 P567 T591 G595 Q648 | L560-Y593 HydrophobicContact CD1-CE2 4.09Å; L560-Y593 HydrophobicContact CD2-CE2 4.27Å; P567-Y593 HydrophobicContact CB-CD2 3.84Å; P567-Y593 HydrophobicContact CB-CE2 3.71Å; P567-Y593 HydrophobicContact CG-CD2 3.78Å; P567-Y593 HydrophobicContact CG-CE2 3.76Å; P567-Y593 HydrophobicContact CG-CG 4.45Å; T591-Y593 PolarHBondContact O-N 3.44Å; Y593-G595 WeakPolarHBondContact O-CA 3.43Å; Y593-G595 PolarHBondContact O-N 3.08Å; Y593-Q648 PolarHBondContact O-OE1 3.4Å | ||
| 594 | T | 36.6 | Very low | 65.8 | Low | 56 Ų | 56 | 50.8 Ų | 50.8 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | trans | -56.5 | 88.6 | 170.3 | 53.1 | 0 | 0 | 0 | 0 | 106.6 | R496 D592 I596 | R496-T594 PolarHBondContact NH1-OG1 3.06Å; D592-T594 PolarHBondContact O-N 3.29Å; T594-I596 PolarHBondContact O-N 2.98Å | ||
| 595 | G | 44.6 | Very low | 66.5 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | -52.1 | 128.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y593 L597 W649 | Y593-G595 WeakPolarHBondContact O-CA 3.43Å; Y593-G595 PolarHBondContact O-N 3.08Å; G595-L597 PolarHBondContact O-N 3.28Å; G595-W649 VanDerWaalsContact CA-O 3.29Å; G595-W649 WeakPolarHBondContact CA-O 2.91Å | ||
| 596 | I | 50.9 | Low | 67.1 | Low | 136 Ų | 136 | 48 Ų | 48 | 70% | 0.697 | 25% | 0.246 | S | C | * | . | trans | -45.8 | 109.4 | -170.7 | -60.4 | 173.8 | 0 | 0 | 0 | 107.9 | T594 P598 | T594-I596 PolarHBondContact O-N 2.98Å; I596-P598 VanDerWaalsContact O-N 3.16Å | ||
| 597 | L | 62 | Low | 67.8 | Low | 111 Ų | 111 | 44.2 Ų | 44.2 | 58% | 0.581 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 123 | -172 | -75 | 171 | 0 | 0 | 0 | 107.6 | G595 R599 L978 | G595-L597 PolarHBondContact O-N 3.28Å; L597-R599 PolarHBondContact O-N 2.75Å; L597-L978 HydrophobicContact CD2-CD1 3.91Å; L597-L978 HydrophobicContact CD2-CD2 4.25Å |
| 598 | P | 74.1 | Confident | 68.6 | Low | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 136.9 | -175.6 | 22.7 | -34.1 | 0 | 0 | 0 | 110.5 | I596 A600 V628 W649 W943 | I596-P598 VanDerWaalsContact O-N 3.16Å; P598-A600 PolarHBondContact O-N 2.85Å; P598-V628 HydrophobicContact CB-CB 4.3Å; P598-V628 HydrophobicContact CB-CG1 4.22Å; P598-V628 HydrophobicContact CB-CG2 3.86Å; P598-V628 HydrophobicContact CG-CG2 4.43Å; P598-W649 HydrophobicContact CG-CD2 3.58Å; P598-W649 HydrophobicContact CG-CE3 3.68Å; P598-W649 HydrophobicContact CG-CG 4.17Å; P598-W649 HydrophobicContact CG-CH2 3.92Å; P598-W649 HydrophobicContact CG-CZ2 3.83Å; P598-W649 HydrophobicContact CG-CZ3 3.85Å; P598-W943 HydrophobicContact CB-CH2 3.98Å; P598-W943 HydrophobicContact CB-CZ2 3.86Å; P598-W943 HydrophobicContact CG-CH2 4.08Å; P598-W943 HydrophobicContact CG-CZ2 3.49Å; P598-W943 VanDerWaalsContact CG-CZ2 3.49Å |
| 599 | R | 80.4 | Confident | 69.7 | Low | 113 Ų | 113 | 40.2 Ų | 40.2 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -47.6 | 125.8 | 175.4 | -79.1 | 172.8 | 70.5 | 163.7 | -1.5 | 109.4 | L597 R601 D620 E622 M624 | L597-R599 PolarHBondContact O-N 2.75Å; R599-R601 PolarHBondContact O-N 2.69Å; R599-R601 PolarHBondContact O-NE 2.86Å; R599-D620 IonicContact CZ-OD1 2.81Å; R599-D620 IonicContact CZ-OD2 3.32Å; R599-D620 VanDerWaalsContact CZ-OD2 3.3Å; R599-D620 IonicContact NE-OD2 2.83Å; R599-D620 PolarHBondContact NE-OD2 2.92Å; R599-D620 IonicContact NH2-OD1 3.37Å; R599-D620 PolarHBondContact NH2-OD1 2.9Å; R599-D620 IonicContact NH2-OD2 2.78Å; R599-D620 PolarHBondContact NH2-OD2 2.91Å; R599-E622 IonicContact CZ-OE2 3.22Å; R599-E622 VanDerWaalsContact CZ-OE2 3.32Å; R599-E622 IonicContact NH1-OE2 2.74Å; R599-E622 PolarHBondContact NH1-OE2 2.89Å; R599-E622 IonicContact NH2-OE2 2.79Å; R599-E622 PolarHBondContact NH2-OE2 3.32Å; R599-M624 HydrophobicContact CB-CE 3.74Å; R599-M624 HydrophobicContact CB-SD 3.88Å |
| 600 | A | 84 | Confident | 70.6 | Confident | 29 Ų | 29 | 44 Ų | 44 | 24% | 0.24 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 130.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P598 C958 H959 | P598-A600 PolarHBondContact O-N 2.85Å; A600-C958 HydrophobicContact CB-CB 3.86Å; A600-C958 WeakPolarHBondContact CB-O 3.41Å; A600-H959 VanDerWaalsContact CB-C 3.46Å; A600-H959 VanDerWaalsContact CB-O 3.3Å; A600-H959 WeakPolarHBondContact CB-O 3.39Å |
| 601 | R | 90.4 | Very high | 72 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -153.4 | 164.3 | -167.1 | 65.1 | -174 | 79.8 | -175.4 | -2.4 | 111.9 | R599 H604 G617 K619 M624 D626 W943 S944 G945 | R599-R601 PolarHBondContact O-N 2.69Å; R599-R601 PolarHBondContact O-NE 2.86Å; R601-H604 HydrophobicContact CG-CB 4.16Å; R601-H604 PolarHBondContact O-CE1 3.08Å; R601-H604 VanDerWaalsContact O-CE1 3.25Å; R601-G617 WeakPolarHBondContact CD-O 3.5Å; R601-G617 PolarHBondContact NH1-O 2.66Å; R601-K619 CarbonylContact C-O 3.58Å; R601-K619 WeakPolarHBondContact CA-O 3.35Å; R601-M624 HydrophobicContact CB-CE 3.79Å; R601-M624 HydrophobicContact CB-SD 4.1Å; R601-M624 PolarHBondContact NE-SD 3.37Å; R601-M624 VanDerWaalsContact NE-SD 3.4Å; R601-D626 IonicContact CZ-OD1 3.2Å; R601-D626 IonicContact CZ-OD2 3.4Å; R601-D626 IonicContact NH1-OD1 2.76Å; R601-D626 PolarHBondContact NH1-OD1 2.95Å; R601-D626 IonicContact NH1-OD2 2.74Å; R601-D626 IonicContact NH2-OD1 2.7Å; R601-D626 PolarHBondContact NH2-OD1 3.48Å; R601-D626 VanDerWaalsContact NH2-OD1 3.14Å; R601-D626 IonicContact NH2-OD2 3.39Å; R601-D626 PolarHBondContact NH2-OD2 2.89Å; R601-W943 HydrophobicContact CG-CH2 3.79Å; R601-W943 HydrophobicContact CG-CZ3 3.79Å; R601-S944 PolarHBondContact N-OG 2.91Å; R601-S944 PolarHBondContact O-OG 3.28Å; R601-G945 WeakPolarHBondContact O-CA 3.45Å; R601-G945 PolarHBondContact O-N 3.14Å | ||
| 602 | H | 91.8 | Very high | 74 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 168.1 | 169.4 | 73.8 | 81.4 | 0 | 0 | 0 | 111.4 | H604 G618 K619 G930 R946 | H602-H604 PolarHBondContact O-N 2.83Å; H602-G618 CarbonylContact O-C 3.58Å; H602-G618 WeakPolarHBondContact O-CA 3.22Å; H602-K619 PolarHBondContact CD2-O 3.11Å; H602-K619 PolarHBondContact N-O 2.95Å; H602-K619 PolarHBondContact O-N 3.49Å; H602-G930 CarbonylContact C-O 3.47Å; H602-G930 WeakPolarHBondContact CA-O 3.38Å; H602-R946 HydrophobicContact CB-CB 3.86Å |
| 603 | S | 93.3 | Very high | 76.3 | Confident | 11 Ų | 11 | 39 Ų | 39 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 57.4 | 29.6 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | A663 S664 M866 G930 | S603-A663 CarbonylContact O-C 3.55Å; S603-A663 WeakPolarHBondContact O-CA 3.47Å; S603-S664 WeakPolarHBondContact CB-OG 3.22Å; S603-S664 PolarHBondContact O-N 3.27Å; S603-S664 PolarHBondContact OG-OG 3.16Å; S603-M866 VanDerWaalsContact OG-CE 3.32Å; S603-M866 WeakPolarHBondContact OG-CE 3.17Å; S603-G930 PolarHBondContact N-O 3.33Å |
| 604 | H | 94.2 | Very high | 79.1 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | trans | -88.9 | 168.3 | 168.9 | 59.8 | -82.3 | 0 | 0 | 0 | 110.9 | R601 H602 I615 G617 G930 H931 S932 W943 S944 G945 | R601-H604 HydrophobicContact CG-CB 4.16Å; R601-H604 PolarHBondContact O-CE1 3.08Å; R601-H604 VanDerWaalsContact O-CE1 3.25Å; H602-H604 PolarHBondContact O-N 2.83Å; H604-I615 HydrophobicContact CB-CG2 4.45Å; H604-G617 WeakPolarHBondContact CB-O 3.27Å; H604-G930 PolarHBondContact CE1-O 2.88Å; H604-H931 WeakPolarHBondContact CE1-CA 3.34Å; H604-S932 PolarHBondContact CD2-OG 2.99Å; H604-S932 WeakPolarHBondContact NE2-CA 3.18Å; H604-S932 WeakPolarHBondContact NE2-CB 3.33Å; H604-S932 PolarHBondContact NE2-N 3.38Å; H604-S932 PolarHBondContact NE2-OG 3.37Å; H604-W943 AromaticContact CD2-CE3 3.85Å; H604-W943 AromaticContact CD2-CZ3 3.91Å; H604-W943 PolarHBondContact CE1-O 2Å; H604-W943 AromaticContact NE2-CE3 3.34Å; H604-W943 VanDerWaalsContact NE2-CE3 3.34Å; H604-W943 PolarHBondContact NE2-O 3.26Å; H604-S944 VanDerWaalsContact CE1-C 3.4Å; H604-S944 WeakPolarHBondContact CE1-CB 3.15Å; H604-G945 PolarHBondContact CE1-N 2.95Å | ||
| 605 | C | 94.8 | Very high | 81.7 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 11% | 0.108 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.9 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 111 | I615 F616 F665 M667 | C605-I615 WeakPolarHBondContact O-CA 3.24Å; C605-I615 VanDerWaalsContact O-CG2 3.31Å; C605-I615 WeakPolarHBondContact O-CG2 3.16Å; C605-F616 PolarHBondContact N-O 3.01Å; C605-F616 PolarHBondContact O-N 2Å; C605-F616 VanDerWaalsContact O-N 3.08Å; C605-F665 HydrophobicContact CB-CD2 4.14Å; C605-F665 HydrophobicContact CB-CE2 3.56Å; C605-F665 HydrophobicContact CB-CZ 3.9Å; C605-F665 WeakPolarHBondContact SG-CD2 3.35Å; C605-F665 WeakPolarHBondContact SG-CE2 3.36Å; C605-F665 PolarHBondContact SG-O 3.24Å; C605-M667 HydrophobicContact CB-CB 3.96Å; C605-M667 HydrophobicContact CB-CG 3.78Å; C605-M667 HydrophobicContact CB-SD 3.88Å |
| 606 | A | 94 | Very high | 84.1 | Confident | 15 Ų | 15 | 33 Ų | 33 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M613 V614 I615 S932 V934 | A606-M613 HydrophobicContact CB-CE 3.54Å; A606-M613 HydrophobicContact CB-CG 4.31Å; A606-V614 CarbonylContact C-O 3.56Å; A606-V614 VanDerWaalsContact CA-O 3.3Å; A606-V614 WeakPolarHBondContact CA-O 3.4Å; A606-I615 HydrophobicContact CB-CB 4.42Å; A606-I615 HydrophobicContact CB-CD1 4.13Å; A606-I615 HydrophobicContact CB-CG1 3.77Å; A606-I615 HydrophobicContact CB-CG2 4.34Å; A606-S932 WeakPolarHBondContact CB-OG 3.38Å; A606-V934 HydrophobicContact CB-CG1 4.01Å; A606-V934 WeakPolarHBondContact O-CG1 3.31Å |
| 607 | V | 94.1 | Very high | 86.1 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.8 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | M613 V614 M667 A674 | V607-M613 WeakPolarHBondContact O-CA 3.43Å; V607-V614 HydrophobicContact CG2-CB 4.2Å; V607-V614 PolarHBondContact N-O 2.89Å; V607-V614 PolarHBondContact O-N 3.04Å; V607-M667 HydrophobicContact CG1-CB 3.49Å; V607-M667 VanDerWaalsContact CG1-CB 3.49Å; V607-M667 HydrophobicContact CG2-CE 4.02Å; V607-A674 HydrophobicContact CG2-CB 3.92Å |
| 608 | V | 89.5 | Confident | 87.6 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 18% | 0.176 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.6 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | K610 L612 S669 V934 I936 | V608-K610 WeakPolarHBondContact CG1-O 3.4Å; V608-L612 WeakPolarHBondContact CA-O 3.49Å; V608-S669 VanDerWaalsContact O-CB 3.26Å; V608-S669 WeakPolarHBondContact O-CB 3.31Å; V608-S669 PolarHBondContact O-OG 3.15Å; V608-V934 HydrophobicContact CG2-CB 3.7Å; V608-V934 HydrophobicContact CG2-CG1 4.25Å; V608-V934 HydrophobicContact CG2-CG2 3.67Å; V608-I936 HydrophobicContact CB-CD1 4.31Å; V608-I936 HydrophobicContact CB-CG1 4.39Å; V608-I936 HydrophobicContact CG1-CD1 3.58Å; V608-I936 HydrophobicContact CG1-CG1 3.89Å; V608-I936 HydrophobicContact CG2-CD1 3.7Å; V608-I936 HydrophobicContact CG2-CG1 3.74Å |
| 609 | V | 82.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 104.8 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | N611 L612 V614 I695 | V609-N611 PolarHBondContact O-N 2.77Å; V609-N611 VanDerWaalsContact O-N 3.15Å; V609-L612 PolarHBondContact N-O 2.89Å; V609-L612 WeakPolarHBondContact O-CB 3.31Å; V609-L612 PolarHBondContact O-N 2.9Å; V609-V614 HydrophobicContact CG2-CG2 4.42Å; V609-I695 HydrophobicContact CB-CD1 4.07Å; V609-I695 HydrophobicContact CG1-CD1 4.08Å; V609-I695 HydrophobicContact CG2-CD1 3.92Å |
| 610 | K | 74.1 | Confident | 88.4 | Confident | 113 Ų | 113 | 21 Ų | 21 | 49% | 0.491 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -110.5 | -169 | -59 | 161.2 | -178.6 | 170.8 | 0 | 110.2 | V608 L697 | V608-K610 WeakPolarHBondContact CG1-O 3.4Å; K610-L697 HydrophobicContact CD-CD1 3.84Å |
| 611 | N | 72.3 | Confident | 88 | Confident | 55 Ų | 55 | 23.5 Ų | 23.5 | 29% | 0.294 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 14.7 | 179.3 | -61.9 | 6 | 0 | 0 | 0 | 112.5 | V609 V632 | V609-N611 PolarHBondContact O-N 2.77Å; V609-N611 VanDerWaalsContact O-N 3.15Å; N611-V632 PolarHBondContact O-N 2.98Å |
| 612 | L | 79.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.3 | -177.8 | -60.3 | 176 | 0 | 0 | 0 | 110.5 | V608 V609 V614 V629 H631 F650 L697 L723 W728 | V608-L612 WeakPolarHBondContact CA-O 3.49Å; V609-L612 PolarHBondContact N-O 2.89Å; V609-L612 WeakPolarHBondContact O-CB 3.31Å; V609-L612 PolarHBondContact O-N 2.9Å; L612-V614 HydrophobicContact CB-CG2 4.2Å; L612-V614 PolarHBondContact O-N 3.31Å; L612-V629 HydrophobicContact CB-CG1 3.88Å; L612-V629 HydrophobicContact CD1-CG1 4.4Å; L612-V629 HydrophobicContact CD2-CG1 4.04Å; L612-V629 HydrophobicContact CG-CG1 4.33Å; L612-H631 HydrophobicContact CD2-CB 3.94Å; L612-F650 HydrophobicContact CD2-CE1 4.28Å; L612-F650 HydrophobicContact CD2-CZ 4.24Å; L612-L697 HydrophobicContact CD1-CD1 4.14Å; L612-L697 HydrophobicContact CD1-CD2 3.91Å; L612-L723 HydrophobicContact CD1-CD2 3.95Å; L612-L723 HydrophobicContact CD2-CD1 4.44Å; L612-L723 HydrophobicContact CD2-CD2 3.94Å; L612-W728 HydrophobicContact CD1-CH2 3.99Å; L612-W728 HydrophobicContact CD1-CZ2 4.17Å |
| 613 | M | 87.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.1 | 164 | -177.2 | 175.3 | -173 | 0 | 0 | 107.8 | A606 V607 I615 V629 F630 V632 V934 W943 M962 | A606-M613 HydrophobicContact CB-CE 3.54Å; A606-M613 HydrophobicContact CB-CG 4.31Å; V607-M613 WeakPolarHBondContact O-CA 3.43Å; M613-I615 HydrophobicContact CE-CD1 3.83Å; M613-I615 HydrophobicContact CE-CG1 4.45Å; M613-I615 HydrophobicContact CG-CD1 4.24Å; M613-I615 HydrophobicContact CG-CG1 4.12Å; M613-I615 HydrophobicContact SD-CD1 4.31Å; M613-V629 WeakPolarHBondContact O-CA 3.25Å; M613-F630 PolarHBondContact N-O 3.15Å; M613-F630 PolarHBondContact O-N 2.64Å; M613-V632 HydrophobicContact CB-CG2 3.83Å; M613-V934 HydrophobicContact CE-CG1 4.47Å; M613-V934 HydrophobicContact CE-CG2 3.84Å; M613-V934 HydrophobicContact CG-CG2 4.12Å; M613-V934 HydrophobicContact SD-CG2 3.89Å; M613-W943 HydrophobicContact CE-CB 3.96Å; M613-M962 HydrophobicContact CE-CE 4.26Å; M613-M962 HydrophobicContact SD-CE 3.63Å; M613-M962 HydrophobicContact SD-SD 4.28Å |
| 614 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.5 | -178.1 | 179 | 0 | 0 | 0 | 0 | 108.2 | A606 V607 V609 L612 L627 V629 L693 I695 W728 | A606-V614 CarbonylContact C-O 3.56Å; A606-V614 VanDerWaalsContact CA-O 3.3Å; A606-V614 WeakPolarHBondContact CA-O 3.4Å; V607-V614 HydrophobicContact CG2-CB 4.2Å; V607-V614 PolarHBondContact N-O 2.89Å; V607-V614 PolarHBondContact O-N 3.04Å; V609-V614 HydrophobicContact CG2-CG2 4.42Å; L612-V614 HydrophobicContact CB-CG2 4.2Å; L612-V614 PolarHBondContact O-N 3.31Å; V614-L627 HydrophobicContact CG1-CD1 3.63Å; V614-L627 HydrophobicContact CG1-CG 4.28Å; V614-V629 HydrophobicContact CG1-CG2 4.41Å; V614-V629 HydrophobicContact CG2-CG1 4.18Å; V614-V629 HydrophobicContact CG2-CG2 4.28Å; V614-L693 HydrophobicContact CG1-CD2 4.13Å; V614-I695 HydrophobicContact CG2-CD1 4.11Å; V614-W728 HydrophobicContact CG1-CZ3 4.36Å; V614-W728 HydrophobicContact CG2-CH2 4.19Å; V614-W728 HydrophobicContact CG2-CZ3 4.01Å |
| 615 | I | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.9 | -175.2 | -43 | -168.3 | 0 | 0 | 0 | 109.6 | H604 C605 A606 M613 L627 V628 W649 W943 | H604-I615 HydrophobicContact CB-CG2 4.45Å; C605-I615 WeakPolarHBondContact O-CA 3.24Å; C605-I615 VanDerWaalsContact O-CG2 3.31Å; C605-I615 WeakPolarHBondContact O-CG2 3.16Å; A606-I615 HydrophobicContact CB-CB 4.42Å; A606-I615 HydrophobicContact CB-CD1 4.13Å; A606-I615 HydrophobicContact CB-CG1 3.77Å; A606-I615 HydrophobicContact CB-CG2 4.34Å; M613-I615 HydrophobicContact CE-CD1 3.83Å; M613-I615 HydrophobicContact CE-CG1 4.45Å; M613-I615 HydrophobicContact CG-CD1 4.24Å; M613-I615 HydrophobicContact CG-CG1 4.12Å; M613-I615 HydrophobicContact SD-CD1 4.31Å; I615-L627 WeakPolarHBondContact O-CA 3.49Å; I615-V628 HydrophobicContact CB-CG2 3.89Å; I615-V628 PolarHBondContact N-O 3.03Å; I615-V628 PolarHBondContact O-N 3.21Å; I615-W649 HydrophobicContact CD1-CH2 3.58Å; I615-W649 HydrophobicContact CD1-CZ3 3.66Å; I615-W649 HydrophobicContact CG1-CZ3 4.27Å; I615-W943 HydrophobicContact CD1-CB 4.43Å; I615-W943 HydrophobicContact CD1-CD2 3.81Å; I615-W943 HydrophobicContact CD1-CE3 3.44Å; I615-W943 VanDerWaalsContact CD1-CE3 3.44Å; I615-W943 HydrophobicContact CD1-CG 4.22Å; I615-W943 HydrophobicContact CD1-CZ3 4.11Å; I615-W943 HydrophobicContact CG2-CE3 4.04Å; I615-W943 HydrophobicContact CG2-CZ3 3.9Å |
| 616 | F | 94.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.7 | 178.1 | -174.5 | -109.8 | 0 | 0 | 0 | 111.5 | C605 D625 D626 L627 P659 R662 F665 M667 M676 W730 | C605-F616 PolarHBondContact N-O 3.01Å; C605-F616 PolarHBondContact O-N 2Å; C605-F616 VanDerWaalsContact O-N 3.08Å; F616-D625 VanDerWaalsContact CE2-O 3.25Å; F616-D625 WeakPolarHBondContact CE2-O 3.04Å; F616-D626 WeakPolarHBondContact CA-O 2.76Å; F616-D626 WeakPolarHBondContact CD2-O 3.42Å; F616-L627 HydrophobicContact CB-CD1 3.94Å; F616-L627 HydrophobicContact CD2-CB 4.19Å; F616-L627 HydrophobicContact CD2-CD1 3.98Å; F616-L627 HydrophobicContact CG-CD1 4.39Å; F616-P659 HydrophobicContact CE1-CB 4.2Å; F616-P659 HydrophobicContact CE1-CG 4.41Å; F616-P659 HydrophobicContact CZ-CB 4.01Å; F616-P659 HydrophobicContact CZ-CG 4.12Å; F616-R662 HydrophobicContact CE1-CG 4.25Å; F616-F665 HydrophobicContact CB-CZ 4.29Å; F616-F665 AromaticContact CD1-CE2 3.98Å; F616-F665 HydrophobicContact CD1-CE2 3.98Å; F616-F665 AromaticContact CD1-CZ 3.73Å; F616-F665 HydrophobicContact CD1-CZ 3.73Å; F616-F665 HydrophobicContact CG-CZ 4.47Å; F616-F665 WeakPolarHBondContact O-CZ 3.24Å; F616-M667 HydrophobicContact CB-SD 4.02Å; F616-M676 HydrophobicContact CD1-CE 4.42Å; F616-M676 HydrophobicContact CD1-SD 3.44Å; F616-M676 WeakPolarHBondContact CD1-SD 3.48Å; F616-M676 HydrophobicContact CE1-CE 4.02Å; F616-M676 HydrophobicContact CE1-SD 3.62Å; F616-W730 HydrophobicContact CD2-CZ2 4.02Å; F616-W730 HydrophobicContact CE2-CZ2 4.2Å; F616-W730 HydrophobicContact CG-CZ2 4.28Å |
| 617 | G | 93.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 57.9 | -150.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R601 H604 M624 D626 | R601-G617 WeakPolarHBondContact CD-O 3.5Å; R601-G617 PolarHBondContact NH1-O 2.66Å; H604-G617 WeakPolarHBondContact CB-O 3.27Å; G617-M624 WeakPolarHBondContact CA-O 3.44Å; G617-D626 PolarHBondContact N-O 2.92Å | ||
| 618 | G | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 102.1 | -172 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H602 M624 R662 | H602-G618 CarbonylContact O-C 3.58Å; H602-G618 WeakPolarHBondContact O-CA 3.22Å; G618-M624 PolarHBondContact O-N 3.41Å; G618-R662 PolarHBondContact N-O 3.46Å | ||
| 619 | K | 88.5 | Confident | 86 | Confident | 81 Ų | 81 | 32 Ų | 32 | 35% | 0.352 | 17% | 0.17 | S | C | . | . | B | Isolated β-bridge | trans | -143 | 146.2 | 179.8 | -175.4 | 169.8 | -171.6 | 169.7 | 0 | 112.8 | R601 H602 A621 E622 V623 A663 | R601-K619 CarbonylContact C-O 3.58Å; R601-K619 WeakPolarHBondContact CA-O 3.35Å; H602-K619 PolarHBondContact CD2-O 3.11Å; H602-K619 PolarHBondContact N-O 2.95Å; H602-K619 PolarHBondContact O-N 3.49Å; K619-A621 WeakPolarHBondContact CE-O 3.31Å; K619-E622 VanDerWaalsContact CA-O 3.27Å; K619-E622 WeakPolarHBondContact CA-O 3.23Å; K619-E622 WeakPolarHBondContact CG-O 3.46Å; K619-V623 HydrophobicContact CB-CG2 4.45Å; K619-V623 HydrophobicContact CD-CG2 3.84Å; K619-V623 HydrophobicContact CG-CG2 4.17Å; K619-A663 HydrophobicContact CB-CB 4.12Å |
| 620 | D | 82.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 32 Ų | 32 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -118 | -103.4 | 159.6 | 60.5 | 16.6 | 0 | 0 | 0 | 110.9 | R599 E622 M624 | R599-D620 IonicContact CZ-OD1 2.81Å; R599-D620 IonicContact CZ-OD2 3.32Å; R599-D620 VanDerWaalsContact CZ-OD2 3.3Å; R599-D620 IonicContact NE-OD2 2.83Å; R599-D620 PolarHBondContact NE-OD2 2.92Å; R599-D620 IonicContact NH2-OD1 3.37Å; R599-D620 PolarHBondContact NH2-OD1 2.9Å; R599-D620 IonicContact NH2-OD2 2.78Å; R599-D620 PolarHBondContact NH2-OD2 2.91Å; D620-E622 PolarHBondContact N-O 2.9Å; D620-E622 PolarHBondContact OD1-N 2.86Å; D620-M624 HydrophobicContact CB-CE 3.7Å; D620-M624 WeakPolarHBondContact OD2-CE 3.2Å |
| 621 | A | 75.4 | Confident | 85.7 | Confident | 80 Ų | 80 | 27.2 Ų | 27.2 | 66% | 0.661 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -73.5 | -38.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K619 | K619-A621 WeakPolarHBondContact CE-O 3.31Š|
| 622 | E | 83.2 | Confident | 85.5 | Confident | 113 Ų | 113 | 24.8 Ų | 24.8 | 53% | 0.528 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -109.5 | 150.3 | -173.5 | -60.5 | 174.4 | 131.7 | 0 | 0 | 111.3 | R599 K619 D620 | R599-E622 IonicContact CZ-OE2 3.22Å; R599-E622 VanDerWaalsContact CZ-OE2 3.32Å; R599-E622 IonicContact NH1-OE2 2.74Å; R599-E622 PolarHBondContact NH1-OE2 2.89Å; R599-E622 IonicContact NH2-OE2 2.79Å; R599-E622 PolarHBondContact NH2-OE2 3.32Å; K619-E622 VanDerWaalsContact CA-O 3.27Å; K619-E622 WeakPolarHBondContact CA-O 3.23Å; K619-E622 WeakPolarHBondContact CG-O 3.46Å; D620-E622 PolarHBondContact N-O 2.9Å; D620-E622 PolarHBondContact OD1-N 2.86Å |
| 623 | V | 87.7 | Confident | 84.4 | Confident | 33 Ų | 33 | 25.2 Ų | 25.2 | 20% | 0.2 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 129.5 | 172.4 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | K619 G661 R662 A682 | K619-V623 HydrophobicContact CB-CG2 4.45Å; K619-V623 HydrophobicContact CD-CG2 3.84Å; K619-V623 HydrophobicContact CG-CG2 4.17Å; V623-G661 VanDerWaalsContact CG1-C 3.44Å; V623-G661 WeakPolarHBondContact CG1-O 3.32Å; V623-R662 VanDerWaalsContact CG1-CA 3.43Å; V623-R662 VanDerWaalsContact CG1-N 3.28Å; V623-A682 HydrophobicContact CB-CB 4.1Å; V623-A682 HydrophobicContact CG1-CB 4.47Å |
| 624 | M | 89.6 | Confident | 82.6 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 4% | 0.044 | 15% | 0.154 | C | C | . | . | trans | -99.7 | 152.5 | -170.7 | -53.4 | -174.8 | -166.7 | 0 | 0 | 112.7 | R599 R601 G617 G618 D620 D626 G661 R662 | R599-M624 HydrophobicContact CB-CE 3.74Å; R599-M624 HydrophobicContact CB-SD 3.88Å; R601-M624 HydrophobicContact CB-CE 3.79Å; R601-M624 HydrophobicContact CB-SD 4.1Å; R601-M624 PolarHBondContact NE-SD 3.37Å; R601-M624 VanDerWaalsContact NE-SD 3.4Å; G617-M624 WeakPolarHBondContact CA-O 3.44Å; G618-M624 PolarHBondContact O-N 3.41Å; D620-M624 HydrophobicContact CB-CE 3.7Å; D620-M624 WeakPolarHBondContact OD2-CE 3.2Å; M624-D626 WeakPolarHBondContact CB-OD1 3.37Å; M624-G661 CarbonylContact O-C 3.55Å; M624-G661 WeakPolarHBondContact O-CA 3.44Å; M624-R662 PolarHBondContact O-N 3.03Å | ||
| 625 | D | 88.8 | Confident | 80.2 | Confident | 104 Ų | 104 | 30.4 Ų | 30.4 | 56% | 0.556 | 18% | 0.183 | S | C | * | . | trans | -122.1 | 4.9 | -179.1 | 70.9 | -17.3 | 0 | 0 | 0 | 113.4 | F616 | F616-D625 VanDerWaalsContact CE2-O 3.25Å; F616-D625 WeakPolarHBondContact CE2-O 3.04Å | ||
| 626 | D | 88.9 | Confident | 77.5 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | trans | -84.3 | 139.8 | -174.9 | 64.5 | -35.9 | 0 | 0 | 0 | 113.1 | R601 F616 G617 M624 V628 K651 | R601-D626 IonicContact CZ-OD1 3.2Å; R601-D626 IonicContact CZ-OD2 3.4Å; R601-D626 IonicContact NH1-OD1 2.76Å; R601-D626 PolarHBondContact NH1-OD1 2.95Å; R601-D626 IonicContact NH1-OD2 2.74Å; R601-D626 IonicContact NH2-OD1 2.7Å; R601-D626 PolarHBondContact NH2-OD1 3.48Å; R601-D626 VanDerWaalsContact NH2-OD1 3.14Å; R601-D626 IonicContact NH2-OD2 3.39Å; R601-D626 PolarHBondContact NH2-OD2 2.89Å; F616-D626 WeakPolarHBondContact CA-O 2.76Å; F616-D626 WeakPolarHBondContact CD2-O 3.42Å; G617-D626 PolarHBondContact N-O 2.92Å; M624-D626 WeakPolarHBondContact CB-OD1 3.37Å; D626-V628 WeakPolarHBondContact OD2-CG1 3.19Å; D626-K651 HydrophobicContact CB-CD 4.46Å; D626-K651 VanDerWaalsContact CB-NZ 3.25Å | ||
| 627 | L | 90.9 | Very high | 74.5 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.9 | 164.5 | -168 | 72 | 0 | 0 | 0 | 108.5 | V614 I615 F616 K651 P652 V654 L693 W728 W730 | V614-L627 HydrophobicContact CG1-CD1 3.63Å; V614-L627 HydrophobicContact CG1-CG 4.28Å; I615-L627 WeakPolarHBondContact O-CA 3.49Å; F616-L627 HydrophobicContact CB-CD1 3.94Å; F616-L627 HydrophobicContact CD2-CB 4.19Å; F616-L627 HydrophobicContact CD2-CD1 3.98Å; F616-L627 HydrophobicContact CG-CD1 4.39Å; L627-K651 WeakPolarHBondContact O-CG 3.25Å; L627-P652 HydrophobicContact CD2-CG 3.85Å; L627-P652 HydrophobicContact CG-CG 4.35Å; L627-V654 HydrophobicContact CD2-CG1 3.68Å; L627-L693 HydrophobicContact CD1-CD2 4.06Å; L627-L693 HydrophobicContact CD2-CD1 4.4Å; L627-L693 HydrophobicContact CD2-CD2 3.74Å; L627-W728 HydrophobicContact CD2-CE3 3.98Å; L627-W728 HydrophobicContact CD2-CZ3 4.36Å; L627-W730 HydrophobicContact CD1-CZ2 4.23Å |
| 628 | V | 87.7 | Confident | 71.7 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143 | 178.1 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | P598 I615 D626 W649 | P598-V628 HydrophobicContact CB-CB 4.3Å; P598-V628 HydrophobicContact CB-CG1 4.22Å; P598-V628 HydrophobicContact CB-CG2 3.86Å; P598-V628 HydrophobicContact CG-CG2 4.43Å; I615-V628 HydrophobicContact CB-CG2 3.89Å; I615-V628 PolarHBondContact N-O 3.03Å; I615-V628 PolarHBondContact O-N 3.21Å; D626-V628 WeakPolarHBondContact OD2-CG1 3.19Å; V628-W649 HydrophobicContact CB-CE3 4.4Å; V628-W649 HydrophobicContact CG2-CE3 4.35Å; V628-W649 HydrophobicContact CG2-CZ3 4.15Å |
| 629 | V | 84.9 | Confident | 69.1 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.3 | -169.4 | -172.7 | 0 | 0 | 0 | 0 | 110 | L612 M613 V614 W649 F650 P652 W728 | L612-V629 HydrophobicContact CB-CG1 3.88Å; L612-V629 HydrophobicContact CD1-CG1 4.4Å; L612-V629 HydrophobicContact CD2-CG1 4.04Å; L612-V629 HydrophobicContact CG-CG1 4.33Å; M613-V629 WeakPolarHBondContact O-CA 3.25Å; V614-V629 HydrophobicContact CG1-CG2 4.41Å; V614-V629 HydrophobicContact CG2-CG1 4.18Å; V614-V629 HydrophobicContact CG2-CG2 4.28Å; V629-W649 CarbonylContact O-C 3.5Å; V629-W649 WeakPolarHBondContact O-CA 3.4Å; V629-F650 HydrophobicContact CB-CD1 4.14Å; V629-F650 HydrophobicContact CB-CD2 4.24Å; V629-F650 HydrophobicContact CB-CE1 3.73Å; V629-F650 HydrophobicContact CB-CE2 3.85Å; V629-F650 HydrophobicContact CB-CG 4.38Å; V629-F650 HydrophobicContact CB-CZ 3.59Å; V629-F650 HydrophobicContact CG1-CD1 4.43Å; V629-F650 HydrophobicContact CG1-CE1 3.57Å; V629-F650 HydrophobicContact CG1-CE2 4.11Å; V629-F650 HydrophobicContact CG1-CZ 3.38Å; V629-F650 HydrophobicContact CG2-CE2 4.24Å; V629-F650 HydrophobicContact CG2-CZ 4.34Å; V629-F650 PolarHBondContact N-O 3.05Å; V629-F650 WeakPolarHBondContact O-CD1 3.14Å; V629-F650 PolarHBondContact O-N 3.28Å; V629-P652 HydrophobicContact CG2-CG 3.97Å; V629-W728 HydrophobicContact CB-CH2 4.43Å; V629-W728 HydrophobicContact CG1-CH2 4.05Å; V629-W728 HydrophobicContact CG2-CH2 3.65Å; V629-W728 HydrophobicContact CG2-CZ2 4.4Å; V629-W728 HydrophobicContact CG2-CZ3 3.84Å |
| 630 | F | 78.8 | Confident | 66.4 | Low | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.4 | 175.9 | -175.9 | -97.9 | 0 | 0 | 0 | 109.2 | M613 V632 R647 W649 M962 L978 | M613-F630 PolarHBondContact N-O 3.15Å; M613-F630 PolarHBondContact O-N 2.64Å; F630-V632 HydrophobicContact CD1-CG2 3.84Å; F630-V632 HydrophobicContact CE1-CG2 4.32Å; F630-R647 HydrophobicContact CE2-CB 4.48Å; F630-R647 HydrophobicContact CZ-CB 4.15Å; F630-W649 HydrophobicContact CB-CD2 4.03Å; F630-W649 HydrophobicContact CB-CE3 3.7Å; F630-W649 HydrophobicContact CB-CH2 4.1Å; F630-W649 HydrophobicContact CB-CZ2 4.39Å; F630-W649 HydrophobicContact CB-CZ3 3.74Å; F630-W649 AromaticContact CD2-CD2 3.88Å; F630-W649 HydrophobicContact CD2-CD2 3.88Å; F630-W649 AromaticContact CD2-CE2 3.79Å; F630-W649 HydrophobicContact CD2-CE3 4.44Å; F630-W649 HydrophobicContact CD2-CG 4.07Å; F630-W649 HydrophobicContact CD2-CZ2 4.31Å; F630-W649 AromaticContact CD2-NE1 3.87Å; F630-W649 HydrophobicContact CG-CD2 4.37Å; F630-W649 HydrophobicContact CG-CZ2 4.48Å; F630-M962 HydrophobicContact CD1-CE 4.34Å; F630-L978 HydrophobicContact CE2-CD2 4.32Å |
| 631 | H | 72 | Confident | 63.9 | Low | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.7 | 177.9 | -179.4 | -82.2 | 0 | 0 | 0 | 110.8 | L612 F642 S646 | L612-H631 HydrophobicContact CD2-CB 3.94Å; H631-F642 AromaticContact CE1-CD1 3.63Å; H631-F642 AromaticContact NE2-CD1 3.7Å; H631-S646 VanDerWaalsContact ND1-CB 3.31Å; H631-S646 WeakPolarHBondContact ND1-CB 3.16Å; H631-S646 PolarHBondContact ND1-OG 2.96Å |
| 632 | V | 67.1 | Low | 61.7 | Low | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | trans | -108.4 | 93.8 | -176.3 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | N611 M613 F630 I936 Y941 | N611-V632 PolarHBondContact O-N 2.98Å; M613-V632 HydrophobicContact CB-CG2 3.83Å; F630-V632 HydrophobicContact CD1-CG2 3.84Å; F630-V632 HydrophobicContact CE1-CG2 4.32Å; V632-I936 HydrophobicContact CB-CD1 3.68Å; V632-I936 HydrophobicContact CG1-CD1 3.71Å; V632-I936 HydrophobicContact CG2-CD1 4.13Å; V632-Y941 HydrophobicContact CG1-CD1 4.18Å; V632-Y941 HydrophobicContact CG1-CD2 4.04Å; V632-Y941 HydrophobicContact CG1-CE1 3.58Å; V632-Y941 HydrophobicContact CG1-CE2 3.42Å; V632-Y941 VanDerWaalsContact CG1-CE2 3.42Å; V632-Y941 HydrophobicContact CG1-CG 4.39Å; V632-Y941 WeakPolarHBondContact CG1-OH 3.33Å | ||
| 633 | G | 56.7 | Low | 59.4 | Low | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | trans | -65.7 | 139.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 634 | S | 48.2 | Very low | 56.8 | Low | 35 Ų | 35 | 51.2 Ų | 51.2 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | trans | -71.6 | 172.8 | 172.3 | 96.6 | 0 | 0 | 0 | 0 | 111.5 | D636 D639 | S634-D636 PolarHBondContact OG-N 2.83Å; S634-D639 VanDerWaalsContact CB-OD2 3.24Å; S634-D639 WeakPolarHBondContact CB-OD2 3.41Å; S634-D639 WeakPolarHBondContact OG-CB 3.26Å; S634-D639 PolarHBondContact OG-OD2 2.69Å | ||
| 635 | A | 40.2 | Very low | 54.4 | Low | 74 Ų | 74 | 51 Ų | 51 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -88.7 | -1.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 636 | D | 37.2 | Very low | 52.4 | Low | 115 Ų | 115 | 46.6 Ų | 46.6 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -68.4 | 147.8 | -175.8 | -102.6 | -50.1 | 0 | 0 | 0 | 113.1 | S634 Q638 D639 L640 | S634-D636 PolarHBondContact OG-N 2.83Å; D636-Q638 PolarHBondContact O-N 3.09Å; D636-Q638 VanDerWaalsContact O-N 3.13Å; D636-D639 HydrophobicContact CB-CB 4.47Å; D636-D639 CarbonylContact O-C 3.43Å; D636-D639 WeakPolarHBondContact O-CA 2.73Å; D636-D639 PolarHBondContact O-N 3.47Å; D636-L640 PolarHBondContact O-N 2.83Å; D636-L640 VanDerWaalsContact O-N 3.08Å |
| 637 | V | 31.5 | Very low | 50.9 | Low | 126 Ų | 126 | 49.5 Ų | 49.5 | 76% | 0.764 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.1 | -175.3 | -177 | 0 | 0 | 0 | 0 | 112.5 | ||
| 638 | Q | 33.8 | Very low | 49.2 | Very low | 169 Ų | 169 | 51.3 Ų | 51.3 | 79% | 0.79 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -33 | 169.1 | -61.4 | -170.8 | 20.3 | 0 | 0 | 112.3 | D636 L640 | D636-Q638 PolarHBondContact O-N 3.09Å; D636-Q638 VanDerWaalsContact O-N 3.13Å; Q638-L640 VanDerWaalsContact C-N 3.31Å |
| 639 | D | 38.2 | Very low | 48.3 | Very low | 33 Ų | 33 | 51.4 Ų | 51.4 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.7 | 176.8 | -86.9 | -13.8 | 0 | 0 | 0 | 113.3 | S634 D636 L641 F642 S643 | S634-D639 VanDerWaalsContact CB-OD2 3.24Å; S634-D639 WeakPolarHBondContact CB-OD2 3.41Å; S634-D639 WeakPolarHBondContact OG-CB 3.26Å; S634-D639 PolarHBondContact OG-OD2 2.69Å; D636-D639 HydrophobicContact CB-CB 4.47Å; D636-D639 CarbonylContact O-C 3.43Å; D636-D639 WeakPolarHBondContact O-CA 2.73Å; D636-D639 PolarHBondContact O-N 3.47Å; D639-L641 PolarHBondContact O-N 2.66Å; D639-F642 CarbonylContact O-C 3.58Å; D639-F642 WeakPolarHBondContact O-CA 3.31Å; D639-F642 WeakPolarHBondContact O-CB 3.43Å; D639-F642 PolarHBondContact O-N 3.49Å; D639-S643 WeakPolarHBondContact O-CB 3.38Å; D639-S643 PolarHBondContact O-N 3.45Å |
| 640 | L | 32.5 | Very low | 47.4 | Very low | 74 Ų | 74 | 52.2 Ų | 52.2 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.1 | -35.2 | 174.1 | -134.3 | 79 | 0 | 0 | 0 | 112.2 | D636 Q638 S643 L644 | D636-L640 PolarHBondContact O-N 2.83Å; D636-L640 VanDerWaalsContact O-N 3.08Å; Q638-L640 VanDerWaalsContact C-N 3.31Å; L640-S643 PolarHBondContact O-N 3.41Å; L640-L644 WeakPolarHBondContact O-CG 3.37Å; L640-L644 PolarHBondContact O-N 2.82Å |
| 641 | L | 28.4 | Very low | 47.2 | Very low | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.5 | -27.3 | 173.4 | -84.6 | 164.7 | 0 | 0 | 0 | 113.6 | D639 A645 L709 V712 | D639-L641 PolarHBondContact O-N 2.66Å; L641-A645 VanDerWaalsContact O-CB 3.28Å; L641-A645 WeakPolarHBondContact O-CB 3.5Å; L641-L709 HydrophobicContact CD1-CD2 4.31Å; L641-V712 HydrophobicContact CD2-CG2 4.09Å |
| 642 | F | 30.4 | Very low | 47.4 | Very low | 65 Ų | 65 | 57.7 Ų | 57.7 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.5 | -47.4 | 168.6 | -93.6 | -94 | 0 | 0 | 0 | 110.6 | H631 D639 L644 A645 S646 L719 | H631-F642 AromaticContact CE1-CD1 3.63Å; H631-F642 AromaticContact NE2-CD1 3.7Å; D639-F642 CarbonylContact O-C 3.58Å; D639-F642 WeakPolarHBondContact O-CA 3.31Å; D639-F642 WeakPolarHBondContact O-CB 3.43Å; D639-F642 PolarHBondContact O-N 3.49Å; F642-L644 VanDerWaalsContact C-N 3.33Å; F642-L644 PolarHBondContact O-N 2.87Å; F642-A645 CarbonylContact O-C 3.59Å; F642-A645 PolarHBondContact O-N 2.95Å; F642-S646 VanDerWaalsContact O-CB 3.23Å; F642-S646 WeakPolarHBondContact O-CB 3.42Å; F642-S646 PolarHBondContact O-N 3.3Å; F642-S646 VanDerWaalsContact O-N 3.1Å; F642-S646 PolarHBondContact O-OG 3.39Å; F642-L719 HydrophobicContact CD1-CD1 3.82Å; F642-L719 HydrophobicContact CD2-CD1 4.39Å; F642-L719 HydrophobicContact CE1-CD1 3.65Å; F642-L719 HydrophobicContact CE1-CD2 3.68Å; F642-L719 HydrophobicContact CE1-CG 4.23Å; F642-L719 HydrophobicContact CE2-CD1 4.23Å; F642-L719 HydrophobicContact CE2-CD2 4.32Å; F642-L719 HydrophobicContact CG-CD1 4.2Å; F642-L719 HydrophobicContact CZ-CD1 3.87Å; F642-L719 HydrophobicContact CZ-CD2 3.47Å; F642-L719 VanDerWaalsContact CZ-CD2 3.47Å; F642-L719 HydrophobicContact CZ-CG 4.33Å |
| 643 | S | 33.3 | Very low | 47.7 | Very low | 26 Ų | 26 | 64.2 Ų | 64.2 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | -172.9 | -169.6 | 0 | 0 | 0 | 0 | 113 | D639 L640 A645 | D639-S643 WeakPolarHBondContact O-CB 3.38Å; D639-S643 PolarHBondContact O-N 3.45Å; L640-S643 PolarHBondContact O-N 3.41Å; S643-A645 VanDerWaalsContact C-N 3.3Å; S643-A645 PolarHBondContact O-N 3.43Å |
| 644 | L | 34.2 | Very low | 48.9 | Very low | 114 Ų | 114 | 65.2 Ų | 65.2 | 60% | 0.597 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.1 | 173.6 | -71.3 | 168.8 | 0 | 0 | 0 | 114 | L640 F642 | L640-L644 WeakPolarHBondContact O-CG 3.37Å; L640-L644 PolarHBondContact O-N 2.82Å; F642-L644 VanDerWaalsContact C-N 3.33Å; F642-L644 PolarHBondContact O-N 2.87Å |
| 645 | A | 38 | Very low | 50.6 | Low | 5 Ų | 5 | 68.7 Ų | 68.7 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 16 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L641 F642 S643 H716 | L641-A645 VanDerWaalsContact O-CB 3.28Å; L641-A645 WeakPolarHBondContact O-CB 3.5Å; F642-A645 CarbonylContact O-C 3.59Å; F642-A645 PolarHBondContact O-N 2.95Å; S643-A645 VanDerWaalsContact C-N 3.3Å; S643-A645 PolarHBondContact O-N 3.43Å; A645-H716 HydrophobicContact CB-CB 4.29Å; A645-H716 PolarHBondContact O-CD2 3.19Å |
| 646 | S | 47.9 | Very low | 52.8 | Low | 11 Ų | 11 | 67.7 Ų | 67.7 | 8% | 0.077 | 35% | 0.351 | C | S | . | . | trans | -144.3 | 3 | -170.5 | 64.5 | 0 | 0 | 0 | 0 | 117 | H631 F642 Q648 | H631-S646 VanDerWaalsContact ND1-CB 3.31Å; H631-S646 WeakPolarHBondContact ND1-CB 3.16Å; H631-S646 PolarHBondContact ND1-OG 2.96Å; F642-S646 VanDerWaalsContact O-CB 3.23Å; F642-S646 WeakPolarHBondContact O-CB 3.42Å; F642-S646 PolarHBondContact O-N 3.3Å; F642-S646 VanDerWaalsContact O-N 3.1Å; F642-S646 PolarHBondContact O-OG 3.39Å; S646-Q648 PolarHBondContact O-N 2.86Å | ||
| 647 | R | 56.2 | Low | 55.3 | Low | 85 Ų | 85 | 66.1 Ų | 66.1 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | trans | -74.7 | 46.8 | 179.6 | -62.8 | -174.8 | -178 | -163.7 | -1.5 | 113.5 | F630 | F630-R647 HydrophobicContact CE2-CB 4.48Å; F630-R647 HydrophobicContact CZ-CB 4.15Å | ||
| 648 | Q | 56 | Low | 58.1 | Low | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | trans | -124.3 | 150.6 | -178.6 | -67 | -175.3 | -8.1 | 0 | 0 | 110.9 | Y593 S646 | Y593-Q648 PolarHBondContact O-OE1 3.4Å; S646-Q648 PolarHBondContact O-N 2.86Å | ||
| 649 | W | 68.3 | Low | 60.9 | Low | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 145.7 | 171.6 | -66.2 | 93.6 | 0 | 0 | 0 | 110.9 | G595 P598 I615 V628 V629 F630 W943 M962 | G595-W649 VanDerWaalsContact CA-O 3.29Å; G595-W649 WeakPolarHBondContact CA-O 2.91Å; P598-W649 HydrophobicContact CG-CD2 3.58Å; P598-W649 HydrophobicContact CG-CE3 3.68Å; P598-W649 HydrophobicContact CG-CG 4.17Å; P598-W649 HydrophobicContact CG-CH2 3.92Å; P598-W649 HydrophobicContact CG-CZ2 3.83Å; P598-W649 HydrophobicContact CG-CZ3 3.85Å; I615-W649 HydrophobicContact CD1-CH2 3.58Å; I615-W649 HydrophobicContact CD1-CZ3 3.66Å; I615-W649 HydrophobicContact CG1-CZ3 4.27Å; V628-W649 HydrophobicContact CB-CE3 4.4Å; V628-W649 HydrophobicContact CG2-CE3 4.35Å; V628-W649 HydrophobicContact CG2-CZ3 4.15Å; V629-W649 CarbonylContact O-C 3.5Å; V629-W649 WeakPolarHBondContact O-CA 3.4Å; F630-W649 HydrophobicContact CB-CD2 4.03Å; F630-W649 HydrophobicContact CB-CE3 3.7Å; F630-W649 HydrophobicContact CB-CH2 4.1Å; F630-W649 HydrophobicContact CB-CZ2 4.39Å; F630-W649 HydrophobicContact CB-CZ3 3.74Å; F630-W649 AromaticContact CD2-CD2 3.88Å; F630-W649 HydrophobicContact CD2-CD2 3.88Å; F630-W649 AromaticContact CD2-CE2 3.79Å; F630-W649 HydrophobicContact CD2-CE3 4.44Å; F630-W649 HydrophobicContact CD2-CG 4.07Å; F630-W649 HydrophobicContact CD2-CZ2 4.31Å; F630-W649 AromaticContact CD2-NE1 3.87Å; F630-W649 HydrophobicContact CG-CD2 4.37Å; F630-W649 HydrophobicContact CG-CZ2 4.48Å; W649-W943 AromaticContact CH2-CD1 3.93Å; W649-W943 AromaticContact CH2-CD2 3.93Å; W649-W943 HydrophobicContact CH2-CD2 3.93Å; W649-W943 AromaticContact CH2-CE2 3.84Å; W649-W943 HydrophobicContact CH2-CG 4.03Å; W649-W943 AromaticContact CH2-NE1 3.81Å; W649-W943 AromaticContact CZ2-CD1 3.72Å; W649-W943 HydrophobicContact CZ2-CD2 4.38Å; W649-W943 AromaticContact CZ2-CE2 3.95Å; W649-W943 HydrophobicContact CZ2-CG 4.29Å; W649-W943 AromaticContact CZ2-NE1 3.49Å; W649-M962 HydrophobicContact CH2-CE 3.7Å; W649-M962 HydrophobicContact CZ2-CE 3.67Å |
| 650 | F | 66.3 | Low | 63.5 | Low | 17 Ų | 17 | 57.6 Ų | 57.6 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.9 | 167.1 | 65.1 | -82.4 | 0 | 0 | 0 | 111.5 | L612 V629 P652 L723 W728 | L612-F650 HydrophobicContact CD2-CE1 4.28Å; L612-F650 HydrophobicContact CD2-CZ 4.24Å; V629-F650 HydrophobicContact CB-CD1 4.14Å; V629-F650 HydrophobicContact CB-CD2 4.24Å; V629-F650 HydrophobicContact CB-CE1 3.73Å; V629-F650 HydrophobicContact CB-CE2 3.85Å; V629-F650 HydrophobicContact CB-CG 4.38Å; V629-F650 HydrophobicContact CB-CZ 3.59Å; V629-F650 HydrophobicContact CG1-CD1 4.43Å; V629-F650 HydrophobicContact CG1-CE1 3.57Å; V629-F650 HydrophobicContact CG1-CE2 4.11Å; V629-F650 HydrophobicContact CG1-CZ 3.38Å; V629-F650 HydrophobicContact CG2-CE2 4.24Å; V629-F650 HydrophobicContact CG2-CZ 4.34Å; V629-F650 PolarHBondContact N-O 3.05Å; V629-F650 WeakPolarHBondContact O-CD1 3.14Å; V629-F650 PolarHBondContact O-N 3.28Å; F650-P652 HydrophobicContact CD2-CB 4.45Å; F650-P652 HydrophobicContact CE2-CB 4.34Å; F650-L723 HydrophobicContact CE1-CB 4.34Å; F650-L723 HydrophobicContact CE1-CD1 3.88Å; F650-L723 HydrophobicContact CE2-CB 4.05Å; F650-L723 HydrophobicContact CZ-CB 3.83Å; F650-L723 HydrophobicContact CZ-CD1 4.06Å; F650-L723 HydrophobicContact CZ-CD2 4.24Å; F650-L723 HydrophobicContact CZ-CG 4.26Å; F650-W728 AromaticContact CE2-CZ2 3.9Å; F650-W728 HydrophobicContact CE2-CZ2 3.9Å; F650-W728 HydrophobicContact CZ-CZ2 4.16Å |
| 651 | K | 75.1 | Confident | 66.3 | Low | 126 Ų | 126 | 54.6 Ų | 54.6 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | trans | -100.2 | 107.9 | 168.8 | 179.1 | 156.8 | -173.4 | 174.2 | 0 | 107.6 | D626 L627 | D626-K651 HydrophobicContact CB-CD 4.46Å; D626-K651 VanDerWaalsContact CB-NZ 3.25Å; L627-K651 WeakPolarHBondContact O-CG 3.25Å | ||
| 652 | P | 75.8 | Confident | 69.5 | Low | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -67.2 | 156.7 | 178.3 | 28.4 | -35.3 | 0 | 0 | 0 | 111.4 | L627 V629 F650 V654 W728 | L627-P652 HydrophobicContact CD2-CG 3.85Å; L627-P652 HydrophobicContact CG-CG 4.35Å; V629-P652 HydrophobicContact CG2-CG 3.97Å; F650-P652 HydrophobicContact CD2-CB 4.45Å; F650-P652 HydrophobicContact CE2-CB 4.34Å; P652-V654 HydrophobicContact CG-CG1 4.27Å; P652-W728 HydrophobicContact CB-CD2 3.61Å; P652-W728 HydrophobicContact CB-CE3 4.24Å; P652-W728 HydrophobicContact CB-CG 3.7Å; P652-W728 HydrophobicContact CB-CZ2 4.19Å; P652-W728 HydrophobicContact CG-CD2 3.82Å; P652-W728 HydrophobicContact CG-CE3 3.93Å; P652-W728 HydrophobicContact CG-CG 4.24Å; P652-W728 HydrophobicContact CG-CZ2 4.43Å; P652-W728 HydrophobicContact CG-CZ3 4.28Å | ||
| 653 | Q | 73.5 | Confident | 72.5 | Confident | 141 Ų | 141 | 48.8 Ų | 48.8 | 66% | 0.659 | 26% | 0.26 | S | S | * | . | trans | -76.1 | 121.7 | 166 | -67.5 | -62.4 | -35.9 | 0 | 0 | 108.4 | ||||
| 654 | V | 82.2 | Confident | 75.4 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.3 | -176.8 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | L627 P652 I658 W728 | L627-V654 HydrophobicContact CD2-CG1 3.68Å; P652-V654 HydrophobicContact CG-CG1 4.27Å; V654-I658 HydrophobicContact CG2-CD1 3.94Å; V654-I658 HydrophobicContact CG2-CG1 4.2Å; V654-W728 WeakPolarHBondContact CA-O 3.45Å; V654-W728 HydrophobicContact CG1-CB 3.96Å |
| 655 | H | 82.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 43.8 Ų | 43.8 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 169.6 | -178.5 | -58.1 | -36 | 0 | 0 | 0 | 111.5 | W728 W730 | H655-W728 PolarHBondContact N-O 2.88Å; H655-W730 PolarHBondContact O-N 2.85Å |
| 656 | G | 87 | Confident | 81.2 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 56% | 0.557 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 83.8 | -147.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I658 W730 | G656-I658 PolarHBondContact O-N 2.85Å; G656-W730 CarbonylContact C-O 3.56Å; G656-W730 WeakPolarHBondContact CA-O 3.37Å |
| 657 | D | 89.1 | Confident | 83.5 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -78 | 65.7 | -173.3 | -61.2 | -50.6 | 0 | 0 | 0 | 112 | P659 Y691 W730 K731 K732 | D657-P659 WeakPolarHBondContact O-CD 3.44Å; D657-P659 VanDerWaalsContact O-N 3.17Å; D657-Y691 HydrophobicContact CB-CE1 4.36Å; D657-Y691 WeakPolarHBondContact O-CD1 3.42Å; D657-Y691 VanDerWaalsContact O-CE1 3.28Å; D657-Y691 WeakPolarHBondContact O-CE1 3.39Å; D657-W730 PolarHBondContact N-O 2.88Å; D657-W730 WeakPolarHBondContact O-CB 3.25Å; D657-K731 WeakPolarHBondContact OD2-CA 3.13Å; D657-K732 HydrophobicContact CB-CB 3.94Å; D657-K732 PolarHBondContact OD2-N 2.95Å |
| 658 | I | 91.1 | Very high | 85.3 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 44% | 0.441 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -54 | 121.8 | -178 | -60.4 | 169.8 | 0 | 0 | 0 | 109.6 | V654 G656 | V654-I658 HydrophobicContact CG2-CD1 3.94Å; V654-I658 HydrophobicContact CG2-CG1 4.2Å; G656-I658 PolarHBondContact O-N 2.85Å |
| 659 | P | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 142.2 | -177.4 | -12 | 22.4 | 0 | 0 | 0 | 111.3 | F616 D657 M676 Y691 W730 | F616-P659 HydrophobicContact CE1-CB 4.2Å; F616-P659 HydrophobicContact CE1-CG 4.41Å; F616-P659 HydrophobicContact CZ-CB 4.01Å; F616-P659 HydrophobicContact CZ-CG 4.12Å; D657-P659 WeakPolarHBondContact O-CD 3.44Å; D657-P659 VanDerWaalsContact O-N 3.17Å; P659-M676 HydrophobicContact CB-CE 3.41Å; P659-M676 VanDerWaalsContact CB-CE 3.41Å; P659-M676 HydrophobicContact CG-CE 3.57Å; P659-Y691 HydrophobicContact CB-CD1 3.96Å; P659-Y691 HydrophobicContact CB-CD2 4.07Å; P659-Y691 HydrophobicContact CB-CE1 3.96Å; P659-Y691 HydrophobicContact CB-CE2 4.08Å; P659-Y691 HydrophobicContact CB-CG 4.01Å; P659-Y691 HydrophobicContact CG-CD1 3.67Å; P659-Y691 HydrophobicContact CG-CD2 4.32Å; P659-Y691 HydrophobicContact CG-CE1 4.11Å; P659-Y691 HydrophobicContact CG-CG 3.78Å; P659-W730 VanDerWaalsContact CD-CD2 3.41Å; P659-W730 HydrophobicContact CG-CD2 3.67Å; P659-W730 HydrophobicContact CG-CE3 3.6Å; P659-W730 HydrophobicContact CG-CG 4.32Å; P659-W730 HydrophobicContact CG-CH2 3.87Å; P659-W730 HydrophobicContact CG-CZ2 3.93Å; P659-W730 HydrophobicContact CG-CZ3 3.71Å |
| 660 | P | 93 | Very high | 87.8 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 142.6 | 169.8 | 26 | -34.2 | 0 | 0 | 0 | 110.7 | R662 L681 Y691 | P660-R662 PolarHBondContact O-NE 3.28Å; P660-R662 PolarHBondContact O-NH2 2.63Å; P660-L681 HydrophobicContact CB-CD2 4.41Å; P660-L681 HydrophobicContact CG-CD2 4.08Å; P660-Y691 WeakPolarHBondContact CD-OH 3.16Å |
| 661 | G | 91.3 | Very high | 88.5 | Confident | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 139.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V623 M624 | V623-G661 VanDerWaalsContact CG1-C 3.44Å; V623-G661 WeakPolarHBondContact CG1-O 3.32Å; M624-G661 CarbonylContact O-C 3.55Å; M624-G661 WeakPolarHBondContact O-CA 3.44Å |
| 662 | R | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 161.4 | -166.9 | 63.7 | -177.5 | 70.9 | -169.2 | 7.5 | 113.5 | F616 G618 V623 M624 P660 F665 G678 V680 L681 S687 | F616-R662 HydrophobicContact CE1-CG 4.25Å; G618-R662 PolarHBondContact N-O 3.46Å; V623-R662 VanDerWaalsContact CG1-CA 3.43Å; V623-R662 VanDerWaalsContact CG1-N 3.28Å; M624-R662 PolarHBondContact O-N 3.03Å; P660-R662 PolarHBondContact O-NE 3.28Å; P660-R662 PolarHBondContact O-NH2 2.63Å; R662-F665 HydrophobicContact CB-CD1 4.42Å; R662-F665 HydrophobicContact CG-CB 4.47Å; R662-F665 HydrophobicContact CG-CD1 3.58Å; R662-F665 HydrophobicContact CG-CE1 3.84Å; R662-F665 HydrophobicContact CG-CG 4.02Å; R662-F665 HydrophobicContact CG-CZ 4.44Å; R662-F665 WeakPolarHBondContact O-CE1 3.26Å; R662-G678 WeakPolarHBondContact CD-O 3.42Å; R662-G678 PolarHBondContact NH1-O 3.39Å; R662-V680 CarbonylContact C-O 3.55Å; R662-V680 WeakPolarHBondContact CA-O 3.23Å; R662-V680 WeakPolarHBondContact CB-O 3.46Å; R662-L681 HydrophobicContact CB-CD2 4Å; R662-S687 PolarHBondContact NH1-OG 3.27Å |
| 663 | A | 94.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 163.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S603 K619 F665 G679 V680 | S603-A663 CarbonylContact O-C 3.55Å; S603-A663 WeakPolarHBondContact O-CA 3.47Å; K619-A663 HydrophobicContact CB-CB 4.12Å; A663-F665 PolarHBondContact O-N 3.19Å; A663-G679 CarbonylContact O-C 3.49Å; A663-G679 VanDerWaalsContact O-CA 3.24Å; A663-G679 WeakPolarHBondContact O-CA 3.46Å; A663-V680 HydrophobicContact CB-CG1 4.18Å; A663-V680 PolarHBondContact N-O 2.95Å; A663-V680 WeakPolarHBondContact O-CG1 3.47Å; A663-V680 PolarHBondContact O-N 3.27Å |
| 664 | S | 94.4 | Very high | 90 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 55.3 | 34.3 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | S603 M749 G750 | S603-S664 WeakPolarHBondContact CB-OG 3.22Å; S603-S664 PolarHBondContact O-N 3.27Å; S603-S664 PolarHBondContact OG-OG 3.16Å; S664-M749 CarbonylContact O-C 3.57Å; S664-M749 VanDerWaalsContact O-CA 3.3Å; S664-M749 WeakPolarHBondContact O-CA 3.49Å; S664-M749 WeakPolarHBondContact O-CB 3.24Å; S664-G750 PolarHBondContact O-N 3.41Å |
| 665 | F | 96.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | trans | -92.2 | -171.4 | 170.9 | 61 | -78.9 | 0 | 0 | 0 | 110 | C605 F616 R662 A663 M667 M676 F677 G678 | C605-F665 HydrophobicContact CB-CD2 4.14Å; C605-F665 HydrophobicContact CB-CE2 3.56Å; C605-F665 HydrophobicContact CB-CZ 3.9Å; C605-F665 WeakPolarHBondContact SG-CD2 3.35Å; C605-F665 WeakPolarHBondContact SG-CE2 3.36Å; C605-F665 PolarHBondContact SG-O 3.24Å; F616-F665 HydrophobicContact CB-CZ 4.29Å; F616-F665 AromaticContact CD1-CE2 3.98Å; F616-F665 HydrophobicContact CD1-CE2 3.98Å; F616-F665 AromaticContact CD1-CZ 3.73Å; F616-F665 HydrophobicContact CD1-CZ 3.73Å; F616-F665 HydrophobicContact CG-CZ 4.47Å; F616-F665 WeakPolarHBondContact O-CZ 3.24Å; R662-F665 HydrophobicContact CB-CD1 4.42Å; R662-F665 HydrophobicContact CG-CB 4.47Å; R662-F665 HydrophobicContact CG-CD1 3.58Å; R662-F665 HydrophobicContact CG-CE1 3.84Å; R662-F665 HydrophobicContact CG-CG 4.02Å; R662-F665 HydrophobicContact CG-CZ 4.44Å; R662-F665 WeakPolarHBondContact O-CE1 3.26Å; A663-F665 PolarHBondContact O-N 3.19Å; F665-M667 HydrophobicContact CD2-CG 4.04Å; F665-M667 HydrophobicContact CE2-CG 3.73Å; F665-M667 HydrophobicContact CE2-SD 3.78Å; F665-M676 HydrophobicContact CD2-CG 3.49Å; F665-M676 VanDerWaalsContact CD2-CG 3.49Å; F665-M676 HydrophobicContact CD2-SD 3.61Å; F665-M676 HydrophobicContact CE2-CG 3.8Å; F665-M676 HydrophobicContact CE2-SD 3.48Å; F665-M676 WeakPolarHBondContact CE2-SD 3.35Å; F665-M676 HydrophobicContact CG-SD 4.48Å; F665-M676 HydrophobicContact CZ-SD 4.31Å; F665-F677 WeakPolarHBondContact CB-O 3.39Å; F665-G678 WeakPolarHBondContact CB-O 3.46Å | ||
| 666 | A | 96.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | M676 F677 H751 F753 | A666-M676 WeakPolarHBondContact O-CA 2.79Å; A666-F677 PolarHBondContact N-O 3.08Å; A666-F677 PolarHBondContact O-N 3.48Å; A666-H751 WeakPolarHBondContact CB-NE2 3.48Å; A666-F753 HydrophobicContact CB-CB 3.43Å; A666-F753 VanDerWaalsContact CB-CB 3.43Å; A666-F753 HydrophobicContact CB-CG 4.37Å |
| 667 | M | 96.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149.8 | 176.6 | -69.8 | -177.6 | 71.3 | 0 | 0 | 112.1 | C605 V607 F616 F665 A674 L675 M676 W730 | C605-M667 HydrophobicContact CB-CB 3.96Å; C605-M667 HydrophobicContact CB-CG 3.78Å; C605-M667 HydrophobicContact CB-SD 3.88Å; V607-M667 HydrophobicContact CG1-CB 3.49Å; V607-M667 VanDerWaalsContact CG1-CB 3.49Å; V607-M667 HydrophobicContact CG2-CE 4.02Å; F616-M667 HydrophobicContact CB-SD 4.02Å; F665-M667 HydrophobicContact CD2-CG 4.04Å; F665-M667 HydrophobicContact CE2-CG 3.73Å; F665-M667 HydrophobicContact CE2-SD 3.78Å; M667-A674 HydrophobicContact CE-CB 3.91Å; M667-L675 CarbonylContact C-O 3.57Å; M667-L675 WeakPolarHBondContact CA-O 3.39Å; M667-M676 HydrophobicContact CG-CB 3.8Å; M667-M676 HydrophobicContact CG-CG 3.66Å; M667-M676 HydrophobicContact SD-CG 4.37Å; M667-W730 HydrophobicContact CE-CH2 4.44Å |
| 668 | V | 95.1 | Very high | 92 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 166.1 | 165 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | A674 L675 F753 L755 I760 | V668-A674 CarbonylContact O-C 3.58Å; V668-A674 VanDerWaalsContact O-CA 3.25Å; V668-A674 WeakPolarHBondContact O-CA 3.46Å; V668-L675 HydrophobicContact CG2-CB 4.24Å; V668-L675 PolarHBondContact N-O 2.76Å; V668-L675 PolarHBondContact O-N 3.18Å; V668-F753 HydrophobicContact CG1-CD1 4.06Å; V668-F753 WeakPolarHBondContact CG1-O 3.31Å; V668-F753 HydrophobicContact CG2-CD1 4.21Å; V668-F753 HydrophobicContact CG2-CE1 4.07Å; V668-L755 HydrophobicContact CB-CB 4.16Å; V668-L755 HydrophobicContact CG1-CB 4.24Å; V668-L755 HydrophobicContact CG2-CB 4.34Å; V668-I760 HydrophobicContact CG1-CG2 4.42Å; V668-I760 HydrophobicContact CG2-CD1 3.4Å; V668-I760 HydrophobicContact CG2-CG1 4Å; V668-I760 HydrophobicContact CG2-CG2 4.39Å |
| 669 | S | 91.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 16.8 Ų | 16.8 | 23% | 0.231 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.4 | 175 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | V608 R673 L755 | V608-S669 VanDerWaalsContact O-CB 3.26Å; V608-S669 WeakPolarHBondContact O-CB 3.31Å; V608-S669 PolarHBondContact O-OG 3.15Å; S669-R673 CarbonylContact C-O 3.38Å; S669-R673 WeakPolarHBondContact CA-O 3.47Å; S669-L755 WeakPolarHBondContact O-CD2 3.3Å |
| 670 | E | 84.6 | Confident | 92.1 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 15% | 0.154 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 115.9 | 176.2 | -173.1 | -168.2 | -140.5 | 0 | 0 | 108.7 | S672 R673 L755 | E670-S672 PolarHBondContact O-N 3.32Å; E670-R673 HydrophobicContact CB-CG 4.39Å; E670-R673 PolarHBondContact N-O 3.04Å; E670-R673 WeakPolarHBondContact O-CG 3.3Å; E670-R673 PolarHBondContact O-N 3.43Å; E670-R673 IonicContact OE2-CZ 2.62Å; E670-R673 VanDerWaalsContact OE2-CZ 3.26Å; E670-R673 IonicContact OE2-NE 3.71Å; E670-R673 PolarHBondContact OE2-NE 3.21Å; E670-R673 IonicContact OE2-NH2 2.75Å; E670-R673 PolarHBondContact OE2-NH2 3.34Å; E670-L755 HydrophobicContact CB-CD2 4.03Å; E670-L755 HydrophobicContact CG-CD2 4.38Å |
| 671 | G | 80.2 | Confident | 92.1 | Very high | 64 Ų | 64 | 16.9 Ų | 16.9 | 66% | 0.66 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -95 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 672 | S | 79 | Confident | 91.8 | Very high | 28 Ų | 28 | 20.3 Ų | 20.3 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 11.1 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | E670 I695 | E670-S672 PolarHBondContact O-N 3.32Å; S672-I695 PolarHBondContact O-N 2.97Å |
| 673 | R | 86.2 | Confident | 91.4 | Very high | 28 Ų | 28 | 24 Ų | 24 | 11% | 0.106 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156 | 176.4 | 59.3 | 170.3 | 175.2 | -168.9 | -2.4 | 112.5 | S669 E670 E692 L693 | S669-R673 CarbonylContact C-O 3.38Å; S669-R673 WeakPolarHBondContact CA-O 3.47Å; E670-R673 HydrophobicContact CB-CG 4.39Å; E670-R673 PolarHBondContact N-O 3.04Å; E670-R673 WeakPolarHBondContact O-CG 3.3Å; E670-R673 PolarHBondContact O-N 3.43Å; E670-R673 IonicContact OE2-CZ 2.62Å; E670-R673 VanDerWaalsContact OE2-CZ 3.26Å; E670-R673 IonicContact OE2-NE 3.71Å; E670-R673 PolarHBondContact OE2-NE 3.21Å; E670-R673 IonicContact OE2-NH2 2.75Å; E670-R673 PolarHBondContact OE2-NH2 3.34Å; R673-E692 WeakPolarHBondContact CD-OE1 3.48Å; R673-E692 IonicContact CZ-OE1 2.84Å; R673-E692 IonicContact NE-OE1 2.68Å; R673-E692 IonicContact NH1-OE1 3.83Å; R673-E692 PolarHBondContact NH1-OE1 2.89Å; R673-L693 CarbonylContact C-O 3.56Å; R673-L693 WeakPolarHBondContact CA-O 3.13Å |
| 674 | A | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V607 M667 V668 E692 L693 | V607-A674 HydrophobicContact CG2-CB 3.92Å; M667-A674 HydrophobicContact CE-CB 3.91Å; V668-A674 CarbonylContact O-C 3.58Å; V668-A674 VanDerWaalsContact O-CA 3.25Å; V668-A674 WeakPolarHBondContact O-CA 3.46Å; A674-E692 CarbonylContact O-C 3.54Å; A674-E692 WeakPolarHBondContact O-CA 3.48Å; A674-L693 HydrophobicContact CB-CB 4.39Å; A674-L693 PolarHBondContact N-O 3.29Å; A674-L693 PolarHBondContact O-N 2.88Å |
| 675 | L | 94.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.5 | -179.6 | -75.3 | 162 | 0 | 0 | 0 | 109.7 | M667 V668 L690 Y691 E692 F753 I760 L789 M796 | M667-L675 CarbonylContact C-O 3.57Å; M667-L675 WeakPolarHBondContact CA-O 3.39Å; V668-L675 HydrophobicContact CG2-CB 4.24Å; V668-L675 PolarHBondContact N-O 2.76Å; V668-L675 PolarHBondContact O-N 3.18Å; L675-L690 HydrophobicContact CD2-CD1 4.45Å; L675-Y691 CarbonylContact C-O 3.57Å; L675-Y691 WeakPolarHBondContact CA-O 3.16Å; L675-E692 HydrophobicContact CD2-CB 3.72Å; L675-E692 HydrophobicContact CD2-CG 4.01Å; L675-F753 HydrophobicContact CB-CE1 4.27Å; L675-I760 HydrophobicContact CB-CD1 4.28Å; L675-I760 HydrophobicContact CD1-CD1 3.77Å; L675-L789 HydrophobicContact CD1-CD1 4.31Å; L675-L789 HydrophobicContact CD1-CD2 3.53Å; L675-M796 HydrophobicContact CD1-CE 4.27Å; L675-M796 HydrophobicContact CD2-CE 3.91Å; L675-M796 HydrophobicContact CD2-SD 4.27Å |
| 676 | M | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.1 | -174.1 | -173.6 | -174.1 | 68.5 | 0 | 0 | 111.4 | F616 P659 F665 A666 M667 L690 Y691 W730 | F616-M676 HydrophobicContact CD1-CE 4.42Å; F616-M676 HydrophobicContact CD1-SD 3.44Å; F616-M676 WeakPolarHBondContact CD1-SD 3.48Å; F616-M676 HydrophobicContact CE1-CE 4.02Å; F616-M676 HydrophobicContact CE1-SD 3.62Å; P659-M676 HydrophobicContact CB-CE 3.41Å; P659-M676 VanDerWaalsContact CB-CE 3.41Å; P659-M676 HydrophobicContact CG-CE 3.57Å; F665-M676 HydrophobicContact CD2-CG 3.49Å; F665-M676 VanDerWaalsContact CD2-CG 3.49Å; F665-M676 HydrophobicContact CD2-SD 3.61Å; F665-M676 HydrophobicContact CE2-CG 3.8Å; F665-M676 HydrophobicContact CE2-SD 3.48Å; F665-M676 WeakPolarHBondContact CE2-SD 3.35Å; F665-M676 HydrophobicContact CG-SD 4.48Å; F665-M676 HydrophobicContact CZ-SD 4.31Å; A666-M676 WeakPolarHBondContact O-CA 2.79Å; M667-M676 HydrophobicContact CG-CB 3.8Å; M667-M676 HydrophobicContact CG-CG 3.66Å; M667-M676 HydrophobicContact SD-CG 4.37Å; M676-L690 WeakPolarHBondContact O-CA 3.43Å; M676-Y691 HydrophobicContact CE-CD2 3.85Å; M676-Y691 HydrophobicContact CE-CG 4.18Å; M676-Y691 PolarHBondContact N-O 2.74Å; M676-Y691 PolarHBondContact O-N 2.82Å; M676-W730 HydrophobicContact CB-CH2 4.47Å; M676-W730 HydrophobicContact CB-CZ3 4.37Å; M676-W730 HydrophobicContact CE-CH2 4.47Å; M676-W730 HydrophobicContact SD-CH2 4.33Å |
| 677 | F | 96.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.8 | 177.3 | -171.3 | -96.4 | 0 | 0 | 0 | 112.3 | F665 A666 G688 L690 P745 R748 H751 F753 L762 W798 | F665-F677 WeakPolarHBondContact CB-O 3.39Å; A666-F677 PolarHBondContact N-O 3.08Å; A666-F677 PolarHBondContact O-N 3.48Å; F677-G688 VanDerWaalsContact CE2-O 3.25Å; F677-G688 WeakPolarHBondContact CE2-O 3.47Å; F677-L690 HydrophobicContact CB-CD1 4.15Å; F677-L690 HydrophobicContact CD2-CB 4.1Å; F677-L690 HydrophobicContact CD2-CD1 4.25Å; F677-P745 HydrophobicContact CE1-CB 4.23Å; F677-P745 HydrophobicContact CZ-CB 3.97Å; F677-P745 HydrophobicContact CZ-CG 4.3Å; F677-R748 HydrophobicContact CE1-CG 4.23Å; F677-H751 AromaticContact CD1-CE1 3.98Å; F677-H751 AromaticContact CD1-NE2 3.65Å; F677-H751 PolarHBondContact O-CE1 2.92Å; F677-F753 HydrophobicContact CB-CE1 4.26Å; F677-F753 HydrophobicContact CB-CE2 4.21Å; F677-F753 HydrophobicContact CB-CZ 4.06Å; F677-L762 HydrophobicContact CD1-CD1 3.38Å; F677-L762 HydrophobicContact CE1-CD1 3.53Å; F677-L762 HydrophobicContact CG-CD1 4.2Å; F677-L762 HydrophobicContact CZ-CD1 4.44Å; F677-W798 HydrophobicContact CD2-CZ2 4.07Å; F677-W798 AromaticContact CE2-CZ2 3.97Å; F677-W798 HydrophobicContact CE2-CZ2 3.97Å; F677-W798 HydrophobicContact CZ-CZ2 4.48Å |
| 678 | G | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | 76.1 | -161.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R662 F665 S687 R748 | R662-G678 WeakPolarHBondContact CD-O 3.42Å; R662-G678 PolarHBondContact NH1-O 3.39Å; F665-G678 WeakPolarHBondContact CB-O 3.46Å; G678-S687 VanDerWaalsContact CA-O 3.26Å; G678-S687 WeakPolarHBondContact CA-O 3.5Å; G678-R748 WeakPolarHBondContact CA-O 3.35Å | ||
| 679 | G | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 105.8 | 159.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | A663 Y686 S687 R748 | A663-G679 CarbonylContact O-C 3.49Å; A663-G679 VanDerWaalsContact O-CA 3.24Å; A663-G679 WeakPolarHBondContact O-CA 3.46Å; G679-Y686 CarbonylContact O-C 3.08Å; G679-Y686 WeakPolarHBondContact O-CA 3.47Å; G679-S687 PolarHBondContact O-N 3.12Å; G679-R748 PolarHBondContact N-O 2.85Å | ||
| 680 | V | 92.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.7 | 168.8 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | R662 A663 G684 Y686 M749 | R662-V680 CarbonylContact C-O 3.55Å; R662-V680 WeakPolarHBondContact CA-O 3.23Å; R662-V680 WeakPolarHBondContact CB-O 3.46Å; A663-V680 HydrophobicContact CB-CG1 4.18Å; A663-V680 PolarHBondContact N-O 2.95Å; A663-V680 WeakPolarHBondContact O-CG1 3.47Å; A663-V680 PolarHBondContact O-N 3.27Å; V680-G684 WeakPolarHBondContact CG2-O 3.11Å; V680-Y686 HydrophobicContact CB-CD1 3.77Å; V680-Y686 HydrophobicContact CB-CE1 3.9Å; V680-Y686 HydrophobicContact CG2-CD1 3.9Å; V680-Y686 HydrophobicContact CG2-CE1 3.91Å; V680-M749 HydrophobicContact CB-SD 4.18Å; V680-M749 HydrophobicContact CG1-SD 4.12Å |
| 681 | L | 92.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 169.4 | 179 | -57.2 | -177 | 0 | 0 | 0 | 111.8 | P660 R662 S683 G684 H685 | P660-L681 HydrophobicContact CB-CD2 4.41Å; P660-L681 HydrophobicContact CG-CD2 4.08Å; R662-L681 HydrophobicContact CB-CD2 4Å; L681-S683 PolarHBondContact O-N 3.04Å; L681-S683 VanDerWaalsContact O-N 3.14Å; L681-G684 PolarHBondContact O-N 2.68Å; L681-H685 PolarHBondContact N-O 3.42Å |
| 682 | A | 86.6 | Confident | 90.8 | Very high | 83 Ų | 83 | 28.9 Ų | 28.9 | 69% | 0.686 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V623 G684 | V623-A682 HydrophobicContact CB-CB 4.1Å; V623-A682 HydrophobicContact CG1-CB 4.47Å; A682-G684 PolarHBondContact O-N 3.06Å |
| 683 | S | 85.4 | Confident | 91.5 | Very high | 77 Ų | 77 | 27.5 Ų | 27.5 | 54% | 0.538 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.2 | 175.6 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | L681 H685 | L681-S683 PolarHBondContact O-N 3.04Å; L681-S683 VanDerWaalsContact O-N 3.14Å; S683-H685 PolarHBondContact O-N 3.2Å; S683-H685 PolarHBondContact O-ND1 2.76Å |
| 684 | G | 83.5 | Confident | 91.5 | Very high | 50 Ų | 50 | 29 Ų | 29 | 52% | 0.515 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 72.6 | -11.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V680 L681 A682 | V680-G684 WeakPolarHBondContact CG2-O 3.11Å; L681-G684 PolarHBondContact O-N 2.68Å; A682-G684 PolarHBondContact O-N 3.06Å |
| 685 | H | 86.7 | Confident | 91.1 | Very high | 122 Ų | 122 | 29 Ų | 29 | 57% | 0.565 | 19% | 0.186 | S | C | * | . | trans | -74.2 | 145 | 178.8 | -68.8 | 58 | 0 | 0 | 0 | 111.2 | L681 S683 | L681-H685 PolarHBondContact N-O 3.42Å; S683-H685 PolarHBondContact O-N 3.2Å; S683-H685 PolarHBondContact O-ND1 2.76Å | ||
| 686 | Y | 92 | Very high | 89.8 | Confident | 36 Ų | 36 | 33.9 Ų | 33.9 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 151.4 | 171.9 | -59.5 | -18.7 | 0 | 0 | 0 | 111.7 | G679 V680 M749 N768 L778 | G679-Y686 CarbonylContact O-C 3.08Å; G679-Y686 WeakPolarHBondContact O-CA 3.47Å; V680-Y686 HydrophobicContact CB-CD1 3.77Å; V680-Y686 HydrophobicContact CB-CE1 3.9Å; V680-Y686 HydrophobicContact CG2-CD1 3.9Å; V680-Y686 HydrophobicContact CG2-CE1 3.91Å; Y686-M749 HydrophobicContact CD1-CG 4.49Å; Y686-M749 HydrophobicContact CE1-CE 4.4Å; Y686-M749 HydrophobicContact CE1-CG 4Å; Y686-M749 HydrophobicContact CE1-SD 3.68Å; Y686-M749 HydrophobicContact CE2-CG 4.49Å; Y686-M749 WeakPolarHBondContact OH-CE 3.3Å; Y686-N768 HydrophobicContact CD2-CB 4.21Å; Y686-N768 WeakPolarHBondContact CD2-OD1 3.48Å; Y686-N768 HydrophobicContact CE2-CB 3.98Å; Y686-L778 HydrophobicContact CE2-CD2 4.31Å; Y686-L778 VanDerWaalsContact OH-CD2 3.29Å; Y686-L778 WeakPolarHBondContact OH-CD2 3.47Å |
| 687 | S | 91 | Very high | 88.1 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | trans | -108.8 | 134.7 | -179.4 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | R662 G678 G679 S689 | R662-S687 PolarHBondContact NH1-OG 3.27Å; G678-S687 VanDerWaalsContact CA-O 3.26Å; G678-S687 WeakPolarHBondContact CA-O 3.5Å; G679-S687 PolarHBondContact O-N 3.12Å; S687-S689 PolarHBondContact OG-N 2.61Å | ||
| 688 | G | 89.7 | Confident | 85.9 | Confident | 33 Ų | 33 | 39.8 Ų | 39.8 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | trans | -104 | 13 | 166 | 0 | 0 | 0 | 0 | 0 | 113.5 | F677 | F677-G688 VanDerWaalsContact CE2-O 3.25Å; F677-G688 WeakPolarHBondContact CE2-O 3.47Å | ||
| 689 | S | 91.7 | Very high | 83.4 | Confident | 30 Ų | 30 | 43 Ų | 43 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | trans | -89.3 | 124.5 | -174 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | S687 Y691 K732 | S687-S689 PolarHBondContact OG-N 2.61Å; S689-Y691 WeakPolarHBondContact O-CD2 3.49Å; S689-K732 VanDerWaalsContact OG-CE 3.27Å; S689-K732 WeakPolarHBondContact OG-CE 3.35Å; S689-K732 PolarHBondContact OG-NZ 2.86Å | ||
| 690 | L | 94.3 | Very high | 80.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.7 | 169.9 | -176.5 | 71.6 | 0 | 0 | 0 | 110.7 | L675 M676 F677 V733 P735 F753 L787 M796 | L675-L690 HydrophobicContact CD2-CD1 4.45Å; M676-L690 WeakPolarHBondContact O-CA 3.43Å; F677-L690 HydrophobicContact CB-CD1 4.15Å; F677-L690 HydrophobicContact CD2-CB 4.1Å; F677-L690 HydrophobicContact CD2-CD1 4.25Å; L690-V733 HydrophobicContact CD2-CB 3.98Å; L690-V733 HydrophobicContact CD2-CG1 4Å; L690-V733 HydrophobicContact CG-CB 4.26Å; L690-V733 PolarHBondContact O-N 3.18Å; L690-P735 HydrophobicContact CD2-CG 3.46Å; L690-P735 VanDerWaalsContact CD2-CG 3.46Å; L690-F753 HydrophobicContact CD1-CZ 4.07Å; L690-L787 HydrophobicContact CD1-CD2 4.27Å; L690-L787 HydrophobicContact CD2-CD2 3.76Å; L690-M796 HydrophobicContact CD2-SD 4.11Å |
| 691 | Y | 95.2 | Very high | 78 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.7 | 174.2 | -69.3 | -99.1 | 0 | 0 | 0 | 111.2 | D657 P659 P660 L675 M676 S689 K731 K732 | D657-Y691 HydrophobicContact CB-CE1 4.36Å; D657-Y691 WeakPolarHBondContact O-CD1 3.42Å; D657-Y691 VanDerWaalsContact O-CE1 3.28Å; D657-Y691 WeakPolarHBondContact O-CE1 3.39Å; P659-Y691 HydrophobicContact CB-CD1 3.96Å; P659-Y691 HydrophobicContact CB-CD2 4.07Å; P659-Y691 HydrophobicContact CB-CE1 3.96Å; P659-Y691 HydrophobicContact CB-CE2 4.08Å; P659-Y691 HydrophobicContact CB-CG 4.01Å; P659-Y691 HydrophobicContact CG-CD1 3.67Å; P659-Y691 HydrophobicContact CG-CD2 4.32Å; P659-Y691 HydrophobicContact CG-CE1 4.11Å; P659-Y691 HydrophobicContact CG-CG 3.78Å; P660-Y691 WeakPolarHBondContact CD-OH 3.16Å; L675-Y691 CarbonylContact C-O 3.57Å; L675-Y691 WeakPolarHBondContact CA-O 3.16Å; M676-Y691 HydrophobicContact CE-CD2 3.85Å; M676-Y691 HydrophobicContact CE-CG 4.18Å; M676-Y691 PolarHBondContact N-O 2.74Å; M676-Y691 PolarHBondContact O-N 2.82Å; S689-Y691 WeakPolarHBondContact O-CD2 3.49Å; Y691-K731 CarbonylContact C-O 3.56Å; Y691-K731 WeakPolarHBondContact CA-O 3.44Å; Y691-K732 HydrophobicContact CD1-CB 4.11Å; Y691-K732 HydrophobicContact CD1-CG 4.4Å; Y691-K732 HydrophobicContact CE1-CB 3.9Å; Y691-K732 HydrophobicContact CE1-CD 4.31Å; Y691-K732 HydrophobicContact CE1-CG 4.04Å |
| 692 | E | 93 | Very high | 75.3 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.5 | 175.5 | -178.2 | 169 | -132 | 0 | 0 | 108.4 | R673 A674 L675 W730 K731 V733 M796 | R673-E692 WeakPolarHBondContact CD-OE1 3.48Å; R673-E692 IonicContact CZ-OE1 2.84Å; R673-E692 IonicContact NE-OE1 2.68Å; R673-E692 IonicContact NH1-OE1 3.83Å; R673-E692 PolarHBondContact NH1-OE1 2.89Å; A674-E692 CarbonylContact O-C 3.54Å; A674-E692 WeakPolarHBondContact O-CA 3.48Å; L675-E692 HydrophobicContact CD2-CB 3.72Å; L675-E692 HydrophobicContact CD2-CG 4.01Å; E692-W730 CarbonylContact O-C 3.59Å; E692-W730 WeakPolarHBondContact O-CA 3.46Å; E692-K731 HydrophobicContact CB-CB 4.49Å; E692-K731 PolarHBondContact N-O 2.85Å; E692-K731 PolarHBondContact O-N 3.35Å; E692-K731 IonicContact OE2-NZ 3.3Å; E692-K731 PolarHBondContact OE2-NZ 2.74Å; E692-V733 HydrophobicContact CB-CG2 3.6Å; E692-M796 WeakPolarHBondContact OE1-CE 3.48Å |
| 693 | L | 93 | Very high | 72.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.3 | 171.7 | 171.8 | 62.4 | 0 | 0 | 0 | 108.3 | V614 L627 R673 A674 I695 W728 Q729 W730 | V614-L693 HydrophobicContact CG1-CD2 4.13Å; L627-L693 HydrophobicContact CD1-CD2 4.06Å; L627-L693 HydrophobicContact CD2-CD1 4.4Å; L627-L693 HydrophobicContact CD2-CD2 3.74Å; R673-L693 CarbonylContact C-O 3.56Å; R673-L693 WeakPolarHBondContact CA-O 3.13Å; A674-L693 HydrophobicContact CB-CB 4.39Å; A674-L693 PolarHBondContact N-O 3.29Å; A674-L693 PolarHBondContact O-N 2.88Å; L693-I695 HydrophobicContact CD2-CD1 4.23Å; L693-I695 HydrophobicContact CD2-CG1 4.41Å; L693-I695 HydrophobicContact CG-CD1 4.35Å; L693-I695 HydrophobicContact CG-CG1 4.05Å; L693-W728 HydrophobicContact CD1-CB 4.49Å; L693-W728 HydrophobicContact CD2-CE3 4.42Å; L693-Q729 WeakPolarHBondContact CA-O 3.46Å; L693-W730 HydrophobicContact CB-CD2 3.95Å; L693-W730 HydrophobicContact CB-CE3 3.68Å; L693-W730 HydrophobicContact CB-CH2 3.97Å; L693-W730 HydrophobicContact CB-CZ2 4.21Å; L693-W730 HydrophobicContact CB-CZ3 3.69Å; L693-W730 HydrophobicContact CD1-CD2 4.06Å; L693-W730 HydrophobicContact CD1-CG 4.19Å; L693-W730 HydrophobicContact CD2-CH2 4.4Å; L693-W730 HydrophobicContact CD2-CZ2 4.08Å; L693-W730 HydrophobicContact CG-CD2 4.48Å |
| 694 | E | 86.8 | Confident | 70.3 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132 | 177.5 | -164.5 | 168.7 | -155 | 0 | 0 | 110.7 | F696 W728 Q729 | E694-F696 HydrophobicContact CB-CE2 4.15Å; E694-F696 VanDerWaalsContact CD-CE2 3.4Å; E694-F696 HydrophobicContact CG-CD2 4.12Å; E694-F696 HydrophobicContact CG-CE1 4.45Å; E694-F696 HydrophobicContact CG-CE2 3.53Å; E694-F696 HydrophobicContact CG-CZ 3.73Å; E694-F696 WeakPolarHBondContact OE1-CZ 3.28Å; E694-F696 WeakPolarHBondContact OE2-CE2 3.4Å; E694-F696 VanDerWaalsContact OE2-CZ 3.31Å; E694-F696 WeakPolarHBondContact OE2-CZ 3.34Å; E694-W728 WeakPolarHBondContact O-CA 3.43Å; E694-Q729 PolarHBondContact N-O 2.99Å; E694-Q729 PolarHBondContact O-N 2.88Å |
| 695 | I | 82.6 | Confident | 68 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 90.7 | -171.5 | -52.9 | 174.4 | 0 | 0 | 0 | 109.9 | V609 V614 S672 L693 L697 W728 | V609-I695 HydrophobicContact CB-CD1 4.07Å; V609-I695 HydrophobicContact CG1-CD1 4.08Å; V609-I695 HydrophobicContact CG2-CD1 3.92Å; V614-I695 HydrophobicContact CG2-CD1 4.11Å; S672-I695 PolarHBondContact O-N 2.97Å; L693-I695 HydrophobicContact CD2-CD1 4.23Å; L693-I695 HydrophobicContact CD2-CG1 4.41Å; L693-I695 HydrophobicContact CG-CD1 4.35Å; L693-I695 HydrophobicContact CG-CG1 4.05Å; I695-L697 VanDerWaalsContact C-N 3.34Å; I695-L697 HydrophobicContact CG2-CD2 3.68Å; I695-L697 HydrophobicContact CG2-CG 4.05Å; I695-L697 PolarHBondContact O-N 3.45Å; I695-W728 HydrophobicContact CB-CE3 4.46Å; I695-W728 HydrophobicContact CD1-CE3 3.83Å; I695-W728 HydrophobicContact CD1-CH2 4.02Å; I695-W728 HydrophobicContact CD1-CZ3 3.37Å; I695-W728 HydrophobicContact CG1-CD2 4.37Å; I695-W728 HydrophobicContact CG1-CE3 3.69Å; I695-W728 HydrophobicContact CG1-CH2 4.47Å; I695-W728 HydrophobicContact CG1-CZ3 3.76Å; I695-W728 HydrophobicContact CG2-CD2 4.06Å; I695-W728 HydrophobicContact CG2-CE3 4.04Å; I695-W728 HydrophobicContact CG2-CH2 3.83Å; I695-W728 HydrophobicContact CG2-CZ2 3.88Å; I695-W728 HydrophobicContact CG2-CZ3 3.95Å |
| 696 | F | 68.6 | Low | 65.4 | Low | 104 Ų | 104 | 51.9 Ų | 51.9 | 46% | 0.456 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 79.4 | 176.9 | -64.5 | -83.4 | 0 | 0 | 0 | 111 | E694 I698 S726 S727 | E694-F696 HydrophobicContact CB-CE2 4.15Å; E694-F696 VanDerWaalsContact CD-CE2 3.4Å; E694-F696 HydrophobicContact CG-CD2 4.12Å; E694-F696 HydrophobicContact CG-CE1 4.45Å; E694-F696 HydrophobicContact CG-CE2 3.53Å; E694-F696 HydrophobicContact CG-CZ 3.73Å; E694-F696 WeakPolarHBondContact OE1-CZ 3.28Å; E694-F696 WeakPolarHBondContact OE2-CE2 3.4Å; E694-F696 VanDerWaalsContact OE2-CZ 3.31Å; E694-F696 WeakPolarHBondContact OE2-CZ 3.34Å; F696-I698 PolarHBondContact O-N 3.01Å; F696-S726 VanDerWaalsContact O-CA 3.3Å; F696-S726 WeakPolarHBondContact O-CA 3.47Å; F696-S726 VanDerWaalsContact O-CB 3.32Å; F696-S726 WeakPolarHBondContact O-CB 3.16Å; F696-S727 PolarHBondContact N-O 2.82Å; F696-S727 PolarHBondContact O-N 2.9Å |
| 697 | L | 59.9 | Low | 62.4 | Low | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -66 | 117.2 | 169.9 | -59 | -172.9 | 0 | 0 | 0 | 110.6 | K610 L612 I695 S699 L723 S726 | K610-L697 HydrophobicContact CD-CD1 3.84Å; L612-L697 HydrophobicContact CD1-CD1 4.14Å; L612-L697 HydrophobicContact CD1-CD2 3.91Å; I695-L697 VanDerWaalsContact C-N 3.34Å; I695-L697 HydrophobicContact CG2-CD2 3.68Å; I695-L697 HydrophobicContact CG2-CG 4.05Å; I695-L697 PolarHBondContact O-N 3.45Å; L697-S699 PolarHBondContact O-N 2.88Å; L697-S699 VanDerWaalsContact O-N 3.16Å; L697-L723 HydrophobicContact CD2-CD2 4.27Å; L697-S726 WeakPolarHBondContact CA-OG 3.35Å; L697-S726 WeakPolarHBondContact CD2-OG 3.44Å |
| 698 | I | 50.2 | Low | 59.6 | Low | 78 Ų | 78 | 60.1 Ų | 60.1 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 117.3 | 170.3 | -62.4 | 176.1 | 0 | 0 | 0 | 108 | F696 A700 L703 C725 | F696-I698 PolarHBondContact O-N 3.01Å; I698-A700 PolarHBondContact O-N 2.7Å; I698-L703 HydrophobicContact CG2-CD1 3.91Å; I698-C725 HydrophobicContact CD1-CB 4.06Å; I698-C725 VanDerWaalsContact CD1-O 3.26Å; I698-C725 WeakPolarHBondContact CD1-O 3.41Å |
| 699 | S | 42 | Very low | 56.9 | Low | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 126.3 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | L697 R701 A702 | L697-S699 PolarHBondContact O-N 2.88Å; L697-S699 VanDerWaalsContact O-N 3.16Å; S699-R701 PolarHBondContact O-N 2.82Å; S699-R701 PolarHBondContact OG-N 3.02Å; S699-A702 WeakPolarHBondContact O-CB 3.39Å; S699-A702 PolarHBondContact O-N 3.02Å |
| 700 | A | 38.1 | Very low | 54.2 | Low | 53 Ų | 53 | 72.6 Ų | 72.6 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -58.1 | -22.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I698 A702 L703 | I698-A700 PolarHBondContact O-N 2.7Å; A700-A702 VanDerWaalsContact C-N 3.25Å; A700-A702 PolarHBondContact O-N 2.99Å; A700-L703 PolarHBondContact O-N 3.38Å |
| 701 | R | 35.9 | Very low | 51.5 | Low | 160 Ų | 160 | 76.3 Ų | 76.3 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -63.2 | -29.5 | 172 | -65.6 | -174.7 | 175.9 | -154 | -4.3 | 112.4 | D105 N162 S699 L703 G704 | D105-R701 IonicContact OD1-NH1 3.38Å; D105-R701 PolarHBondContact OD1-NH1 2.98Å; N162-R701 PolarHBondContact O-NH1 3.45Å; S699-R701 PolarHBondContact O-N 2.82Å; S699-R701 PolarHBondContact OG-N 3.02Å; R701-L703 PolarHBondContact O-N 2.8Å; R701-G704 PolarHBondContact O-N 2.91Å |
| 702 | A | 34.2 | Very low | 48.9 | Very low | 81 Ų | 81 | 78.3 Ų | 78.3 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -68 | -12.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S699 A700 | S699-A702 WeakPolarHBondContact O-CB 3.39Å; S699-A702 PolarHBondContact O-N 3.02Å; A700-A702 VanDerWaalsContact C-N 3.25Å; A700-A702 PolarHBondContact O-N 2.99Å |
| 703 | L | 35.1 | Very low | 46.2 | Very low | 79 Ų | 79 | 84.4 Ų | 84.4 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -114.2 | 12.7 | 178.2 | -62.3 | 109 | 0 | 0 | 0 | 113.6 | I698 A700 R701 F705 F722 | I698-L703 HydrophobicContact CG2-CD1 3.91Å; A700-L703 PolarHBondContact O-N 3.38Å; R701-L703 PolarHBondContact O-N 2.8Å; L703-F705 VanDerWaalsContact C-N 3.32Å; L703-F705 HydrophobicContact CB-CD2 3.85Å; L703-F705 HydrophobicContact CB-CE2 3.9Å; L703-F705 WeakPolarHBondContact O-CD2 3.46Å; L703-F705 PolarHBondContact O-N 3.28Å; L703-F722 HydrophobicContact CB-CZ 4.39Å; L703-F722 HydrophobicContact CD1-CD1 4.17Å; L703-F722 HydrophobicContact CD1-CE1 3.53Å; L703-F722 HydrophobicContact CD1-CZ 3.77Å; L703-F722 HydrophobicContact CD2-CE1 3.65Å; L703-F722 HydrophobicContact CD2-CZ 3.8Å; L703-F722 HydrophobicContact CG-CE1 4.16Å; L703-F722 HydrophobicContact CG-CZ 4.18Å |
| 704 | G | 32.8 | Very low | 43.6 | Very low | 46 Ų | 46 | 91.2 Ų | 91.2 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 23.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K57 R701 S706 | K57-G704 WeakPolarHBondContact CE-O 3.44Å; K57-G704 PolarHBondContact NZ-O 2.85Å; R701-G704 PolarHBondContact O-N 2.91Å; G704-S706 PolarHBondContact O-N 2.96Å |
| 705 | F | 36 | Very low | 41.6 | Very low | 135 Ų | 135 | 91.4 Ų | 91.4 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | trans | -80.5 | 77.2 | -178.1 | -78.1 | -84.3 | 0 | 0 | 0 | 113.9 | L703 L718 F722 | L703-F705 VanDerWaalsContact C-N 3.32Å; L703-F705 HydrophobicContact CB-CD2 3.85Å; L703-F705 HydrophobicContact CB-CE2 3.9Å; L703-F705 WeakPolarHBondContact O-CD2 3.46Å; L703-F705 PolarHBondContact O-N 3.28Å; F705-L718 HydrophobicContact CE1-CD1 4.06Å; F705-L718 HydrophobicContact CE2-CD2 4.47Å; F705-L718 HydrophobicContact CZ-CD1 3.74Å; F705-L718 HydrophobicContact CZ-CD2 4.23Å; F705-F722 HydrophobicContact CE2-CZ 4.29Å | ||
| 706 | S | 31 | Very low | 39.7 | Very low | 29 Ų | 29 | 92.9 Ų | 92.9 | 20% | 0.203 | 49% | 0.489 | C | S | . | . | trans | -101.9 | 153.6 | 159.4 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | K57 G704 | K57-S706 WeakPolarHBondContact CD-O 3.26Å; K57-S706 WeakPolarHBondContact CE-O 3.07Å; K57-S706 WeakPolarHBondContact CG-OG 3.38Å; K57-S706 PolarHBondContact NZ-O 3.04Å; G704-S706 PolarHBondContact O-N 2.96Å | ||
| 707 | V | 29.9 | Very low | 38.6 | Very low | 89 Ų | 89 | 89 Ų | 89 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | trans | 54.9 | 97.3 | 166.5 | -168.7 | 0 | 0 | 0 | 0 | 116.8 | T107 | T107-V707 HydrophobicContact CG2-CG2 4.12Š| ||
| 708 | L | 31.8 | Very low | 37.8 | Very low | 131 Ų | 131 | 88.7 Ų | 88.7 | 69% | 0.686 | 47% | 0.47 | S | S | * | . | 171.7 | 142 | 99.8 | -158.9 | 71.2 | 0 | 0 | 0 | 111 | F710 | L708-F710 HydrophobicContact CD2-CD2 4.02Å; L708-F710 HydrophobicContact CG-CD2 4.42Å; L708-F710 PolarHBondContact O-N 3.49Å | |||
| 709 | L | 32.1 | Very low | 37.7 | Very low | 152 Ų | 152 | 86.2 Ų | 86.2 | 80% | 0.796 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.3 | 19.9 | -170.9 | -89.1 | 154.5 | 0 | 0 | 0 | 117.4 | L641 | L641-L709 HydrophobicContact CD1-CD2 4.31Š|
| 710 | F | 35.5 | Very low | 38 | Very low | 173 Ų | 173 | 84 Ų | 84 | 76% | 0.759 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -99 | -5.6 | -161.6 | -110.2 | -84.3 | 0 | 0 | 0 | 117.5 | L708 | L708-F710 HydrophobicContact CD2-CD2 4.02Å; L708-F710 HydrophobicContact CG-CD2 4.42Å; L708-F710 PolarHBondContact O-N 3.49Å |
| 711 | V | 38.3 | Very low | 38.3 | Very low | 81 Ų | 81 | 82.4 Ų | 82.4 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | trans | -146.9 | 67 | -173.3 | -133.4 | 0 | 0 | 0 | 0 | 115 | R713 F714 I715 | V711-R713 VanDerWaalsContact C-N 3.26Å; V711-R713 PolarHBondContact O-N 2.95Å; V711-F714 HydrophobicContact CB-CB 3.79Å; V711-F714 HydrophobicContact CG1-CB 3.66Å; V711-F714 HydrophobicContact CG1-CG 4.42Å; V711-F714 PolarHBondContact O-N 2.76Å; V711-I715 PolarHBondContact O-N 2.9Å | ||
| 712 | V | 40.4 | Very low | 38.9 | Very low | 62 Ų | 62 | 76.2 Ų | 76.2 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -49.4 | -45.4 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 112 | L641 F714 I715 H716 | L641-V712 HydrophobicContact CD2-CG2 4.09Å; V712-F714 VanDerWaalsContact C-N 3.29Å; V712-F714 PolarHBondContact O-N 2.73Å; V712-I715 PolarHBondContact O-N 2.74Å; V712-H716 PolarHBondContact O-N 3.34Å |
| 713 | R | 36.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 73.6 Ų | 73.6 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.2 | -16.9 | -179.4 | -155.8 | 175.2 | -169 | 171.3 | 7.6 | 114.5 | D592 V711 | D592-R713 IonicContact OD1-NH2 3.11Å; D592-R713 PolarHBondContact OD1-NH2 2.84Å; D592-R713 VanDerWaalsContact OD1-NH2 3.08Å; V711-R713 VanDerWaalsContact C-N 3.26Å; V711-R713 PolarHBondContact O-N 2.95Å |
| 714 | F | 38 | Very low | 40.5 | Very low | 143 Ų | 143 | 73.2 Ų | 73.2 | 63% | 0.627 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -90.3 | -29.7 | 175.4 | -135.2 | -102.7 | 0 | 0 | 0 | 111.6 | V711 V712 L718 | V711-F714 HydrophobicContact CB-CB 3.79Å; V711-F714 HydrophobicContact CG1-CB 3.66Å; V711-F714 HydrophobicContact CG1-CG 4.42Å; V711-F714 PolarHBondContact O-N 2.76Å; V712-F714 VanDerWaalsContact C-N 3.29Å; V712-F714 PolarHBondContact O-N 2.73Å; F714-L718 HydrophobicContact CD1-CD1 3.79Å; F714-L718 HydrophobicContact CE1-CD1 4.25Å; F714-L718 WeakPolarHBondContact O-CB 3.15Å; F714-L718 PolarHBondContact O-N 2.99Å; F714-L718 VanDerWaalsContact O-N 3.15Å |
| 715 | I | 44.3 | Very low | 40.8 | Very low | 61 Ų | 61 | 75 Ų | 75 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 174.1 | -66.4 | 169.9 | 0 | 0 | 0 | 110.1 | V711 V712 E717 L718 L719 | V711-I715 PolarHBondContact O-N 2.9Å; V712-I715 PolarHBondContact O-N 2.74Å; I715-E717 PolarHBondContact O-N 3.34Å; I715-L718 PolarHBondContact O-N 2.85Å; I715-L719 HydrophobicContact CG2-CD1 3.62Å; I715-L719 HydrophobicContact CG2-CG 4.12Å; I715-L719 WeakPolarHBondContact O-CB 3.46Å; I715-L719 VanDerWaalsContact O-CG 3.25Å; I715-L719 WeakPolarHBondContact O-CG 3.47Å; I715-L719 PolarHBondContact O-N 2.89Å |
| 716 | H | 43.3 | Very low | 41.9 | Very low | 34 Ų | 34 | 68.9 Ų | 68.9 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -47.3 | -56.7 | 172.1 | -174.7 | -96 | 0 | 0 | 0 | 112.1 | A645 V712 L719 L720 | A645-H716 HydrophobicContact CB-CB 4.29Å; A645-H716 PolarHBondContact O-CD2 3.19Å; V712-H716 PolarHBondContact O-N 3.34Å; H716-L719 PolarHBondContact O-N 2.88Å; H716-L720 VanDerWaalsContact CE1-CD1 3.47Å; H716-L720 WeakPolarHBondContact CE1-CD1 3.32Å; H716-L720 PolarHBondContact O-N 2.92Å |
| 717 | E | 44.3 | Very low | 43.7 | Very low | 21 Ų | 21 | 69.9 Ų | 69.9 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.2 | -37.4 | -175 | -53.4 | -49.6 | 151.5 | 0 | 0 | 113.7 | T565 P566 I715 S721 | T565-E717 HydrophobicContact CG2-CB 4.31Å; P566-E717 WeakPolarHBondContact CA-OE2 3.44Å; P566-E717 WeakPolarHBondContact CB-OE2 3.47Å; P566-E717 VanDerWaalsContact CD-OE2 3.25Å; P566-E717 WeakPolarHBondContact CD-OE2 3.21Å; I715-E717 PolarHBondContact O-N 3.34Å; E717-S721 VanDerWaalsContact O-CB 3.32Å; E717-S721 WeakPolarHBondContact O-CB 3.3Å; E717-S721 PolarHBondContact O-N 2.82Å |
| 718 | L | 44 | Very low | 46.4 | Very low | 43 Ų | 43 | 65.6 Ų | 65.6 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174 | -89 | 154.8 | 0 | 0 | 0 | 110.9 | F705 F714 I715 S721 F722 | F705-L718 HydrophobicContact CE1-CD1 4.06Å; F705-L718 HydrophobicContact CE2-CD2 4.47Å; F705-L718 HydrophobicContact CZ-CD1 3.74Å; F705-L718 HydrophobicContact CZ-CD2 4.23Å; F714-L718 HydrophobicContact CD1-CD1 3.79Å; F714-L718 HydrophobicContact CE1-CD1 4.25Å; F714-L718 WeakPolarHBondContact O-CB 3.15Å; F714-L718 PolarHBondContact O-N 2.99Å; F714-L718 VanDerWaalsContact O-N 3.15Å; I715-L718 PolarHBondContact O-N 2.85Å; L718-S721 PolarHBondContact O-N 3.13Å; L718-S721 PolarHBondContact O-OG 2.86Å; L718-F722 HydrophobicContact CB-CD2 4.46Å; L718-F722 HydrophobicContact CB-CE2 3.95Å; L718-F722 HydrophobicContact CD2-CE1 4.47Å; L718-F722 HydrophobicContact CD2-CE2 3.82Å; L718-F722 HydrophobicContact CD2-CZ 3.61Å; L718-F722 WeakPolarHBondContact O-CD2 3.37Å; L718-F722 VanDerWaalsContact O-CG 3.27Å; L718-F722 WeakPolarHBondContact O-CG 3.45Å; L718-F722 PolarHBondContact O-N 3.33Å |
| 719 | L | 47.4 | Very low | 49 | Very low | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.5 | -70.1 | 175.4 | 0 | 0 | 0 | 112.6 | F642 I715 H716 S721 F722 L723 | F642-L719 HydrophobicContact CD1-CD1 3.82Å; F642-L719 HydrophobicContact CD2-CD1 4.39Å; F642-L719 HydrophobicContact CE1-CD1 3.65Å; F642-L719 HydrophobicContact CE1-CD2 3.68Å; F642-L719 HydrophobicContact CE1-CG 4.23Å; F642-L719 HydrophobicContact CE2-CD1 4.23Å; F642-L719 HydrophobicContact CE2-CD2 4.32Å; F642-L719 HydrophobicContact CG-CD1 4.2Å; F642-L719 HydrophobicContact CZ-CD1 3.87Å; F642-L719 HydrophobicContact CZ-CD2 3.47Å; F642-L719 VanDerWaalsContact CZ-CD2 3.47Å; F642-L719 HydrophobicContact CZ-CG 4.33Å; I715-L719 HydrophobicContact CG2-CD1 3.62Å; I715-L719 HydrophobicContact CG2-CG 4.12Å; I715-L719 WeakPolarHBondContact O-CB 3.46Å; I715-L719 VanDerWaalsContact O-CG 3.25Å; I715-L719 WeakPolarHBondContact O-CG 3.47Å; I715-L719 PolarHBondContact O-N 2.89Å; H716-L719 PolarHBondContact O-N 2.88Å; L719-S721 VanDerWaalsContact C-N 3.33Å; L719-S721 PolarHBondContact O-N 2.66Å; L719-F722 PolarHBondContact O-N 3.12Å; L719-L723 WeakPolarHBondContact O-CG 3.24Å; L719-L723 PolarHBondContact O-N 3.1Å |
| 720 | L | 48.7 | Very low | 51.8 | Low | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173 | -71.8 | 172.1 | 0 | 0 | 0 | 111.6 | H716 F722 L723 Q724 | H716-L720 VanDerWaalsContact CE1-CD1 3.47Å; H716-L720 WeakPolarHBondContact CE1-CD1 3.32Å; H716-L720 PolarHBondContact O-N 2.92Å; L720-F722 VanDerWaalsContact C-N 3.35Å; L720-F722 PolarHBondContact O-N 2.91Å; L720-L723 PolarHBondContact O-N 3.48Å; L720-Q724 WeakPolarHBondContact O-CG 3.16Å; L720-Q724 PolarHBondContact O-N 2.84Å; L720-Q724 VanDerWaalsContact O-N 3.1Å |
| 721 | S | 45.6 | Very low | 54.4 | Low | 20 Ų | 20 | 52.6 Ų | 52.6 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.4 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | E717 L718 L719 Q724 C725 | E717-S721 VanDerWaalsContact O-CB 3.32Å; E717-S721 WeakPolarHBondContact O-CB 3.3Å; E717-S721 PolarHBondContact O-N 2.82Å; L718-S721 PolarHBondContact O-N 3.13Å; L718-S721 PolarHBondContact O-OG 2.86Å; L719-S721 VanDerWaalsContact C-N 3.33Å; L719-S721 PolarHBondContact O-N 2.66Å; S721-Q724 CarbonylContact O-C 3.53Å; S721-Q724 PolarHBondContact O-N 3.18Å; S721-C725 VanDerWaalsContact O-CB 3.29Å; S721-C725 WeakPolarHBondContact O-CB 3.31Å; S721-C725 PolarHBondContact O-N 2.76Å; S721-C725 PolarHBondContact O-SG 3.17Å |
| 722 | F | 47.5 | Very low | 57 | Low | 30 Ų | 30 | 53.5 Ų | 53.5 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.1 | -34.8 | 179.3 | -67.4 | -46.4 | 0 | 0 | 0 | 112.7 | L703 F705 L718 L719 L720 Q724 C725 S726 | L703-F722 HydrophobicContact CB-CZ 4.39Å; L703-F722 HydrophobicContact CD1-CD1 4.17Å; L703-F722 HydrophobicContact CD1-CE1 3.53Å; L703-F722 HydrophobicContact CD1-CZ 3.77Å; L703-F722 HydrophobicContact CD2-CE1 3.65Å; L703-F722 HydrophobicContact CD2-CZ 3.8Å; L703-F722 HydrophobicContact CG-CE1 4.16Å; L703-F722 HydrophobicContact CG-CZ 4.18Å; F705-F722 HydrophobicContact CE2-CZ 4.29Å; L718-F722 HydrophobicContact CB-CD2 4.46Å; L718-F722 HydrophobicContact CB-CE2 3.95Å; L718-F722 HydrophobicContact CD2-CE1 4.47Å; L718-F722 HydrophobicContact CD2-CE2 3.82Å; L718-F722 HydrophobicContact CD2-CZ 3.61Å; L718-F722 WeakPolarHBondContact O-CD2 3.37Å; L718-F722 VanDerWaalsContact O-CG 3.27Å; L718-F722 WeakPolarHBondContact O-CG 3.45Å; L718-F722 PolarHBondContact O-N 3.33Å; L719-F722 PolarHBondContact O-N 3.12Å; L720-F722 VanDerWaalsContact C-N 3.35Å; L720-F722 PolarHBondContact O-N 2.91Å; F722-Q724 VanDerWaalsContact C-N 3.31Å; F722-C725 PolarHBondContact O-N 2.76Å; F722-S726 PolarHBondContact O-N 3.47Å; F722-S726 PolarHBondContact O-OG 2.81Å |
| 723 | L | 51.6 | Low | 59.3 | Low | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -31.7 | 172.7 | -68.8 | 171.9 | 0 | 0 | 0 | 112.2 | L612 F650 L697 L719 L720 W728 | L612-L723 HydrophobicContact CD1-CD2 3.95Å; L612-L723 HydrophobicContact CD2-CD1 4.44Å; L612-L723 HydrophobicContact CD2-CD2 3.94Å; F650-L723 HydrophobicContact CE1-CB 4.34Å; F650-L723 HydrophobicContact CE1-CD1 3.88Å; F650-L723 HydrophobicContact CE2-CB 4.05Å; F650-L723 HydrophobicContact CZ-CB 3.83Å; F650-L723 HydrophobicContact CZ-CD1 4.06Å; F650-L723 HydrophobicContact CZ-CD2 4.24Å; F650-L723 HydrophobicContact CZ-CG 4.26Å; L697-L723 HydrophobicContact CD2-CD2 4.27Å; L719-L723 WeakPolarHBondContact O-CG 3.24Å; L719-L723 PolarHBondContact O-N 3.1Å; L720-L723 PolarHBondContact O-N 3.48Å; L723-W728 PolarHBondContact O-NE1 3.45Å |
| 724 | Q | 50.9 | Low | 61.7 | Low | 72 Ų | 72 | 50.8 Ų | 50.8 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.5 | -30.9 | 172.4 | -69.4 | -177.4 | 3.6 | 0 | 0 | 113.8 | L720 S721 F722 S726 | L720-Q724 WeakPolarHBondContact O-CG 3.16Å; L720-Q724 PolarHBondContact O-N 2.84Å; L720-Q724 VanDerWaalsContact O-N 3.1Å; S721-Q724 CarbonylContact O-C 3.53Å; S721-Q724 PolarHBondContact O-N 3.18Å; F722-Q724 VanDerWaalsContact C-N 3.31Å; Q724-S726 VanDerWaalsContact C-N 3.3Å |
| 725 | C | 40.2 | Very low | 64 | Low | 82 Ų | 82 | 44.9 Ų | 44.9 | 55% | 0.554 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -81.9 | -4.5 | 174.6 | -70.7 | 0 | 0 | 0 | 0 | 113.7 | I698 S721 F722 | I698-C725 HydrophobicContact CD1-CB 4.06Å; I698-C725 VanDerWaalsContact CD1-O 3.26Å; I698-C725 WeakPolarHBondContact CD1-O 3.41Å; S721-C725 VanDerWaalsContact O-CB 3.29Å; S721-C725 WeakPolarHBondContact O-CB 3.31Å; S721-C725 PolarHBondContact O-N 2.76Å; S721-C725 PolarHBondContact O-SG 3.17Å; F722-C725 PolarHBondContact O-N 2.76Å |
| 726 | S | 58.6 | Low | 65.7 | Low | 8 Ų | 8 | 45.8 Ų | 45.8 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -70 | 141 | 171.1 | -62.2 | 0 | 0 | 0 | 0 | 109.6 | F696 L697 F722 Q724 | F696-S726 VanDerWaalsContact O-CA 3.3Å; F696-S726 WeakPolarHBondContact O-CA 3.47Å; F696-S726 VanDerWaalsContact O-CB 3.32Å; F696-S726 WeakPolarHBondContact O-CB 3.16Å; L697-S726 WeakPolarHBondContact CA-OG 3.35Å; L697-S726 WeakPolarHBondContact CD2-OG 3.44Å; F722-S726 PolarHBondContact O-N 3.47Å; F722-S726 PolarHBondContact O-OG 2.81Å; Q724-S726 VanDerWaalsContact C-N 3.3Å |
| 727 | S | 68.6 | Low | 67 | Low | 49 Ų | 49 | 46.4 Ų | 46.4 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126 | 176.4 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | F696 | F696-S727 PolarHBondContact N-O 2.82Å; F696-S727 PolarHBondContact O-N 2.9Å |
| 728 | W | 86.5 | Confident | 67.8 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.9 | 177.2 | -59.5 | 74.7 | 0 | 0 | 0 | 108.7 | L612 V614 L627 V629 F650 P652 V654 H655 L693 E694 I695 L723 | L612-W728 HydrophobicContact CD1-CH2 3.99Å; L612-W728 HydrophobicContact CD1-CZ2 4.17Å; V614-W728 HydrophobicContact CG1-CZ3 4.36Å; V614-W728 HydrophobicContact CG2-CH2 4.19Å; V614-W728 HydrophobicContact CG2-CZ3 4.01Å; L627-W728 HydrophobicContact CD2-CE3 3.98Å; L627-W728 HydrophobicContact CD2-CZ3 4.36Å; V629-W728 HydrophobicContact CB-CH2 4.43Å; V629-W728 HydrophobicContact CG1-CH2 4.05Å; V629-W728 HydrophobicContact CG2-CH2 3.65Å; V629-W728 HydrophobicContact CG2-CZ2 4.4Å; V629-W728 HydrophobicContact CG2-CZ3 3.84Å; F650-W728 AromaticContact CE2-CZ2 3.9Å; F650-W728 HydrophobicContact CE2-CZ2 3.9Å; F650-W728 HydrophobicContact CZ-CZ2 4.16Å; P652-W728 HydrophobicContact CB-CD2 3.61Å; P652-W728 HydrophobicContact CB-CE3 4.24Å; P652-W728 HydrophobicContact CB-CG 3.7Å; P652-W728 HydrophobicContact CB-CZ2 4.19Å; P652-W728 HydrophobicContact CG-CD2 3.82Å; P652-W728 HydrophobicContact CG-CE3 3.93Å; P652-W728 HydrophobicContact CG-CG 4.24Å; P652-W728 HydrophobicContact CG-CZ2 4.43Å; P652-W728 HydrophobicContact CG-CZ3 4.28Å; V654-W728 WeakPolarHBondContact CA-O 3.45Å; V654-W728 HydrophobicContact CG1-CB 3.96Å; H655-W728 PolarHBondContact N-O 2.88Å; L693-W728 HydrophobicContact CD1-CB 4.49Å; L693-W728 HydrophobicContact CD2-CE3 4.42Å; E694-W728 WeakPolarHBondContact O-CA 3.43Å; I695-W728 HydrophobicContact CB-CE3 4.46Å; I695-W728 HydrophobicContact CD1-CE3 3.83Å; I695-W728 HydrophobicContact CD1-CH2 4.02Å; I695-W728 HydrophobicContact CD1-CZ3 3.37Å; I695-W728 HydrophobicContact CG1-CD2 4.37Å; I695-W728 HydrophobicContact CG1-CE3 3.69Å; I695-W728 HydrophobicContact CG1-CH2 4.47Å; I695-W728 HydrophobicContact CG1-CZ3 3.76Å; I695-W728 HydrophobicContact CG2-CD2 4.06Å; I695-W728 HydrophobicContact CG2-CE3 4.04Å; I695-W728 HydrophobicContact CG2-CH2 3.83Å; I695-W728 HydrophobicContact CG2-CZ2 3.88Å; I695-W728 HydrophobicContact CG2-CZ3 3.95Å; L723-W728 PolarHBondContact O-NE1 3.45Å |
| 729 | Q | 86.4 | Confident | 68.3 | Low | 83 Ų | 83 | 56.4 Ų | 56.4 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.6 | -173.7 | -171.2 | 174.2 | -52.2 | 0 | 0 | 111.4 | L693 E694 | L693-Q729 WeakPolarHBondContact CA-O 3.46Å; E694-Q729 PolarHBondContact N-O 2.99Å; E694-Q729 PolarHBondContact O-N 2.88Å |
| 730 | W | 92.1 | Very high | 68.7 | Low | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 146.1 | 166.9 | -76.8 | 110 | 0 | 0 | 0 | 111 | F616 L627 H655 G656 D657 P659 M667 M676 E692 L693 | F616-W730 HydrophobicContact CD2-CZ2 4.02Å; F616-W730 HydrophobicContact CE2-CZ2 4.2Å; F616-W730 HydrophobicContact CG-CZ2 4.28Å; L627-W730 HydrophobicContact CD1-CZ2 4.23Å; H655-W730 PolarHBondContact O-N 2.85Å; G656-W730 CarbonylContact C-O 3.56Å; G656-W730 WeakPolarHBondContact CA-O 3.37Å; D657-W730 PolarHBondContact N-O 2.88Å; D657-W730 WeakPolarHBondContact O-CB 3.25Å; P659-W730 VanDerWaalsContact CD-CD2 3.41Å; P659-W730 HydrophobicContact CG-CD2 3.67Å; P659-W730 HydrophobicContact CG-CE3 3.6Å; P659-W730 HydrophobicContact CG-CG 4.32Å; P659-W730 HydrophobicContact CG-CH2 3.87Å; P659-W730 HydrophobicContact CG-CZ2 3.93Å; P659-W730 HydrophobicContact CG-CZ3 3.71Å; M667-W730 HydrophobicContact CE-CH2 4.44Å; M676-W730 HydrophobicContact CB-CH2 4.47Å; M676-W730 HydrophobicContact CB-CZ3 4.37Å; M676-W730 HydrophobicContact CE-CH2 4.47Å; M676-W730 HydrophobicContact SD-CH2 4.33Å; E692-W730 CarbonylContact O-C 3.59Å; E692-W730 WeakPolarHBondContact O-CA 3.46Å; L693-W730 HydrophobicContact CB-CD2 3.95Å; L693-W730 HydrophobicContact CB-CE3 3.68Å; L693-W730 HydrophobicContact CB-CH2 3.97Å; L693-W730 HydrophobicContact CB-CZ2 4.21Å; L693-W730 HydrophobicContact CB-CZ3 3.69Å; L693-W730 HydrophobicContact CD1-CD2 4.06Å; L693-W730 HydrophobicContact CD1-CG 4.19Å; L693-W730 HydrophobicContact CD2-CH2 4.4Å; L693-W730 HydrophobicContact CD2-CZ2 4.08Å; L693-W730 HydrophobicContact CG-CD2 4.48Å |
| 731 | K | 89.9 | Confident | 69 | Low | 98 Ų | 98 | 64.1 Ų | 64.1 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 130.9 | 179 | 175.5 | -174.9 | 167.4 | -156.1 | 0 | 108.8 | D657 Y691 E692 V733 | D657-K731 WeakPolarHBondContact OD2-CA 3.13Å; Y691-K731 CarbonylContact C-O 3.56Å; Y691-K731 WeakPolarHBondContact CA-O 3.44Å; E692-K731 HydrophobicContact CB-CB 4.49Å; E692-K731 PolarHBondContact N-O 2.85Å; E692-K731 PolarHBondContact O-N 3.35Å; E692-K731 IonicContact OE2-NZ 3.3Å; E692-K731 PolarHBondContact OE2-NZ 2.74Å; K731-V733 HydrophobicContact CD-CG2 4.46Å; K731-V733 HydrophobicContact CG-CG2 4.31Å |
| 732 | K | 92.4 | Very high | 70.1 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.6 | 173 | -171.1 | 173.5 | -180 | 173.8 | 0 | 108.3 | D657 S689 Y691 | D657-K732 HydrophobicContact CB-CB 3.94Å; D657-K732 PolarHBondContact OD2-N 2.95Å; S689-K732 VanDerWaalsContact OG-CE 3.27Å; S689-K732 WeakPolarHBondContact OG-CE 3.35Å; S689-K732 PolarHBondContact OG-NZ 2.86Å; Y691-K732 HydrophobicContact CD1-CB 4.11Å; Y691-K732 HydrophobicContact CD1-CG 4.4Å; Y691-K732 HydrophobicContact CE1-CB 3.9Å; Y691-K732 HydrophobicContact CE1-CD 4.31Å; Y691-K732 HydrophobicContact CE1-CG 4.04Å |
| 733 | V | 89.2 | Confident | 71.5 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.8 | -175.3 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | L690 E692 K731 P735 M796 | L690-V733 HydrophobicContact CD2-CB 3.98Å; L690-V733 HydrophobicContact CD2-CG1 4Å; L690-V733 HydrophobicContact CG-CB 4.26Å; L690-V733 PolarHBondContact O-N 3.18Å; E692-V733 HydrophobicContact CB-CG2 3.6Å; K731-V733 HydrophobicContact CD-CG2 4.46Å; K731-V733 HydrophobicContact CG-CG2 4.31Å; V733-P735 HydrophobicContact CG1-CG 4.41Å; V733-M796 HydrophobicContact CG1-CE 4.41Å; V733-M796 HydrophobicContact CG1-SD 3.9Å |
| 734 | T | 86.9 | Confident | 73.2 | Confident | 129 Ų | 129 | 73 Ų | 73 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | trans | -118.1 | 93.3 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 735 | P | 85.3 | Confident | 75.1 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 147.7 | 177.8 | -20.9 | 34 | 0 | 0 | 0 | 111.9 | L690 V733 L787 M796 W798 | L690-P735 HydrophobicContact CD2-CG 3.46Å; L690-P735 VanDerWaalsContact CD2-CG 3.46Å; V733-P735 HydrophobicContact CG1-CG 4.41Å; P735-L787 HydrophobicContact CB-CD1 3.76Å; P735-L787 HydrophobicContact CG-CD1 3.75Å; P735-M796 CarbonylContact C-O 3.47Å; P735-M796 VanDerWaalsContact CA-O 3.24Å; P735-M796 WeakPolarHBondContact CA-O 3.24Å; P735-M796 HydrophobicContact CB-CB 4.06Å; P735-M796 WeakPolarHBondContact CB-O 3.48Å; P735-M796 HydrophobicContact CG-CB 4.25Å; P735-W798 HydrophobicContact CB-CG 4.32Å |
| 736 | V | 80.4 | Confident | 77.5 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 151 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | M796 R797 W798 | V736-M796 PolarHBondContact N-O 2.83Å; V736-R797 CarbonylContact O-C 3.58Å; V736-R797 VanDerWaalsContact O-CA 3.25Å; V736-R797 WeakPolarHBondContact O-CA 3.19Å; V736-R797 WeakPolarHBondContact O-CG 3.49Å; V736-W798 PolarHBondContact O-N 2.82Å |
| 737 | C | 71.2 | Confident | 79.1 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 151.9 | 171.4 | -64.7 | 0 | 0 | 0 | 0 | 111 | ||
| 738 | T | 60.6 | Low | 80.4 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.3 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | N740 W798 | T738-N740 PolarHBondContact O-N 2.89Å; T738-W798 PolarHBondContact N-O 2.83Å |
| 739 | R | 54.3 | Low | 80.8 | Confident | 254 Ų | 254 | 68.3 Ų | 68.3 | 96% | 0.958 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -61.5 | -6.9 | 170.4 | -75.4 | -172 | 176.1 | -177 | -1.1 | 114.2 | G741 | R739-G741 PolarHBondContact O-N 3.47Š|
| 740 | N | 55.7 | Low | 81.1 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.8 | 32.6 | -173.4 | -51.9 | 26.6 | 0 | 0 | 0 | 114 | T738 K742 | T738-N740 PolarHBondContact O-N 2.89Å; N740-K742 PolarHBondContact O-N 2.87Å |
| 741 | G | 55.7 | Low | 81.4 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 79% | 0.794 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 68.7 | -22 | 170 | 0 | 0 | 0 | 0 | 0 | 118.4 | R739 | R739-G741 PolarHBondContact O-N 3.47Š|
| 742 | K | 68.3 | Low | 81.7 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -78 | 136.3 | -177.2 | -74.7 | -176.4 | 172 | -177.4 | 0 | 112.7 | N740 C800 | N740-K742 PolarHBondContact O-N 2.87Å; K742-C800 HydrophobicContact CB-CB 4.47Å; K742-C800 HydrophobicContact CD-CB 3.61Å; K742-C800 PolarHBondContact NZ-SG 3.25Å |
| 743 | P | 77.4 | Confident | 81.8 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 169.5 | 175.4 | 30.7 | -36.4 | 0 | 0 | 0 | 112.3 | Y785 | P743-Y785 WeakPolarHBondContact O-CE1 3.44Š|
| 744 | P | 85.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 164.8 | 166.5 | 29.4 | -35.1 | 0 | 0 | 0 | 111.5 | C746 | P744-C746 PolarHBondContact O-N 3.36Š|
| 745 | P | 91.6 | Very high | 82.5 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -59 | 130.8 | 179.9 | -12.2 | 21 | 0 | 0 | 0 | 111.7 | F677 L762 Y785 W798 | F677-P745 HydrophobicContact CE1-CB 4.23Å; F677-P745 HydrophobicContact CZ-CB 3.97Å; F677-P745 HydrophobicContact CZ-CG 4.3Å; P745-L762 HydrophobicContact CB-CD1 4.43Å; P745-L762 HydrophobicContact CB-CD2 4.29Å; P745-L762 HydrophobicContact CG-CD1 4.4Å; P745-Y785 HydrophobicContact CB-CD2 3.97Å; P745-Y785 HydrophobicContact CB-CE2 4.06Å; P745-Y785 HydrophobicContact CB-CG 4.27Å; P745-Y785 HydrophobicContact CG-CD1 3.87Å; P745-Y785 HydrophobicContact CG-CD2 3.89Å; P745-Y785 HydrophobicContact CG-CE1 4.28Å; P745-Y785 HydrophobicContact CG-CE2 4.29Å; P745-Y785 HydrophobicContact CG-CG 3.66Å; P745-W798 HydrophobicContact CG-CD2 3.9Å; P745-W798 HydrophobicContact CG-CE3 3.92Å; P745-W798 HydrophobicContact CG-CH2 3.77Å; P745-W798 HydrophobicContact CG-CZ2 3.76Å; P745-W798 HydrophobicContact CG-CZ3 3.84Å |
| 746 | C | 90.7 | Very high | 82.8 | Confident | 35 Ų | 35 | 52 Ų | 52 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 156.4 | 178.4 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | P744 R748 | P744-C746 PolarHBondContact O-N 3.36Å; C746-R748 WeakPolarHBondContact O-CG 3.38Å; C746-R748 PolarHBondContact O-N 2.97Å; C746-R748 PolarHBondContact O-NE 2.96Å; C746-R748 PolarHBondContact SG-NH2 3.44Å |
| 747 | P | 93.1 | Very high | 83 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 26% | 0.26 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -49.7 | 126.6 | 170.7 | -26.6 | 35 | 0 | 0 | 0 | 112.5 | T767 | P747-T767 WeakPolarHBondContact O-CB 3.48Å; P747-T767 PolarHBondContact O-OG1 3.23Å |
| 748 | R | 94.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -156.8 | 158 | -171.5 | 63.7 | -177.3 | 68.1 | -161.4 | -0.3 | 113.3 | F677 G678 G679 C746 H751 G764 V766 L781 D783 | F677-R748 HydrophobicContact CE1-CG 4.23Å; G678-R748 WeakPolarHBondContact CA-O 3.35Å; G679-R748 PolarHBondContact N-O 2.85Å; C746-R748 WeakPolarHBondContact O-CG 3.38Å; C746-R748 PolarHBondContact O-N 2.97Å; C746-R748 PolarHBondContact O-NE 2.96Å; C746-R748 PolarHBondContact SG-NH2 3.44Å; R748-H751 HydrophobicContact CG-CB 4.46Å; R748-G764 WeakPolarHBondContact CD-O 3.28Å; R748-G764 PolarHBondContact NH1-O 2.87Å; R748-V766 VanDerWaalsContact CA-O 3.22Å; R748-V766 WeakPolarHBondContact CA-O 3.48Å; R748-V766 WeakPolarHBondContact CB-O 3.24Å; R748-L781 VanDerWaalsContact CZ-CD1 3.46Å; R748-D783 IonicContact CZ-OD1 2.68Å; R748-D783 IonicContact CZ-OD2 2.82Å; R748-D783 IonicContact NH1-OD1 3.23Å; R748-D783 PolarHBondContact NH1-OD1 3.48Å; R748-D783 IonicContact NH1-OD2 2.88Å; R748-D783 PolarHBondContact NH1-OD2 3.48Å; R748-D783 IonicContact NH2-OD1 3.57Å; R748-D783 IonicContact NH2-OD2 3.07Å; R748-D783 PolarHBondContact NH2-OD2 3.05Å | ||
| 749 | M | 94.6 | Very high | 85.2 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 15% | 0.148 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 167.3 | 166.9 | 71.8 | 172.7 | -167.2 | 0 | 0 | 111.1 | S664 V680 Y686 H751 G765 V766 | S664-M749 CarbonylContact O-C 3.57Å; S664-M749 VanDerWaalsContact O-CA 3.3Å; S664-M749 WeakPolarHBondContact O-CA 3.49Å; S664-M749 WeakPolarHBondContact O-CB 3.24Å; V680-M749 HydrophobicContact CB-SD 4.18Å; V680-M749 HydrophobicContact CG1-SD 4.12Å; Y686-M749 HydrophobicContact CD1-CG 4.49Å; Y686-M749 HydrophobicContact CE1-CE 4.4Å; Y686-M749 HydrophobicContact CE1-CG 4Å; Y686-M749 HydrophobicContact CE1-SD 3.68Å; Y686-M749 HydrophobicContact CE2-CG 4.49Å; Y686-M749 WeakPolarHBondContact OH-CE 3.3Å; M749-H751 VanDerWaalsContact C-N 3.29Å; M749-H751 PolarHBondContact O-N 2.91Å; M749-G765 CarbonylContact O-C 3.56Å; M749-G765 VanDerWaalsContact O-CA 3.26Å; M749-G765 WeakPolarHBondContact O-CA 3.37Å; M749-V766 HydrophobicContact CE-CG1 3.58Å; M749-V766 HydrophobicContact CG-CG1 3.47Å; M749-V766 VanDerWaalsContact CG-CG1 3.47Å; M749-V766 PolarHBondContact N-O 2.82Å; M749-V766 PolarHBondContact O-N 3Å; M749-V766 HydrophobicContact SD-CG1 4.43Å |
| 750 | G | 93.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 44 Ų | 44 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 65.7 | 24.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S664 G765 E812 S813 | S664-G750 PolarHBondContact O-N 3.41Å; G750-G765 WeakPolarHBondContact O-CA 3.3Å; G750-E812 CarbonylContact O-C 3.59Å; G750-E812 VanDerWaalsContact O-CA 3.32Å; G750-E812 WeakPolarHBondContact O-CA 3.4Å; G750-S813 PolarHBondContact O-N 3.28Å |
| 751 | H | 96.7 | Very high | 89 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.046 | 23% | 0.229 | C | C | . | . | trans | -92.2 | 158.2 | 176.8 | 64.7 | -75.8 | 0 | 0 | 0 | 110.7 | A666 F677 R748 M749 G764 | A666-H751 WeakPolarHBondContact CB-NE2 3.48Å; F677-H751 AromaticContact CD1-CE1 3.98Å; F677-H751 AromaticContact CD1-NE2 3.65Å; F677-H751 PolarHBondContact O-CE1 2.92Å; R748-H751 HydrophobicContact CG-CB 4.46Å; M749-H751 VanDerWaalsContact C-N 3.29Å; M749-H751 PolarHBondContact O-N 2.91Å; H751-G764 WeakPolarHBondContact CB-O 3.41Å | ||
| 752 | S | 96.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 146 | 166.2 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | L762 F763 H814 | S752-L762 VanDerWaalsContact O-CA 3.31Å; S752-L762 WeakPolarHBondContact O-CA 3.35Å; S752-F763 PolarHBondContact N-O 3.19Å; S752-F763 VanDerWaalsContact N-O 3.08Å; S752-F763 PolarHBondContact O-N 3.08Å; S752-F763 PolarHBondContact OG-O 2.85Å; S752-H814 VanDerWaalsContact CB-NE2 3.27Å; S752-H814 WeakPolarHBondContact CB-NE2 3.49Å; S752-H814 PolarHBondContact OG-NE2 2.56Å |
| 753 | F | 96.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 104.4 | 176.9 | -166.6 | -125.8 | 0 | 0 | 0 | 106.5 | A666 V668 L675 F677 L690 I760 Y761 L762 L787 W798 | A666-F753 HydrophobicContact CB-CB 3.43Å; A666-F753 VanDerWaalsContact CB-CB 3.43Å; A666-F753 HydrophobicContact CB-CG 4.37Å; V668-F753 HydrophobicContact CG1-CD1 4.06Å; V668-F753 WeakPolarHBondContact CG1-O 3.31Å; V668-F753 HydrophobicContact CG2-CD1 4.21Å; V668-F753 HydrophobicContact CG2-CE1 4.07Å; L675-F753 HydrophobicContact CB-CE1 4.27Å; F677-F753 HydrophobicContact CB-CE1 4.26Å; F677-F753 HydrophobicContact CB-CE2 4.21Å; F677-F753 HydrophobicContact CB-CZ 4.06Å; L690-F753 HydrophobicContact CD1-CZ 4.07Å; F753-I760 HydrophobicContact CD1-CG2 3.98Å; F753-I760 HydrophobicContact CD2-CB 4.46Å; F753-I760 HydrophobicContact CD2-CG2 3.4Å; F753-I760 HydrophobicContact CE1-CD1 3.84Å; F753-I760 HydrophobicContact CE1-CG2 4.03Å; F753-I760 HydrophobicContact CE2-CB 4.07Å; F753-I760 HydrophobicContact CE2-CD1 4.3Å; F753-I760 HydrophobicContact CE2-CG2 3.45Å; F753-I760 VanDerWaalsContact CE2-CG2 3.45Å; F753-I760 HydrophobicContact CG-CG2 3.67Å; F753-I760 HydrophobicContact CZ-CB 4.26Å; F753-I760 HydrophobicContact CZ-CD1 3.62Å; F753-I760 HydrophobicContact CZ-CG2 3.78Å; F753-Y761 WeakPolarHBondContact CA-O 3.27Å; F753-L762 HydrophobicContact CD2-CB 4.06Å; F753-L762 HydrophobicContact CD2-CD1 4.12Å; F753-L762 HydrophobicContact CD2-CG 4.46Å; F753-L762 HydrophobicContact CE2-CD1 4.45Å; F753-L787 HydrophobicContact CZ-CD2 4.3Å; F753-W798 HydrophobicContact CE2-CH2 4.04Å |
| 754 | T | 96.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 25 Ų | 25 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.1 | -164.4 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | I760 Y761 A816 F818 L827 | T754-I760 WeakPolarHBondContact O-CA 3.47Å; T754-I760 WeakPolarHBondContact O-CG2 3.38Å; T754-Y761 PolarHBondContact N-O 2.86Å; T754-Y761 WeakPolarHBondContact O-CD2 3.38Å; T754-Y761 PolarHBondContact O-N 2.85Å; T754-A816 WeakPolarHBondContact CG2-O 3.34Å; T754-A816 PolarHBondContact OG1-O 3.26Å; T754-F818 HydrophobicContact CG2-CB 4.02Å; T754-L827 HydrophobicContact CG2-CD1 3.66Å |
| 755 | L | 94.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 21.8 Ų | 21.8 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.2 | 179.8 | -179.1 | 70.5 | 0 | 0 | 0 | 111 | V668 S669 E670 I760 L789 F818 | V668-L755 HydrophobicContact CB-CB 4.16Å; V668-L755 HydrophobicContact CG1-CB 4.24Å; V668-L755 HydrophobicContact CG2-CB 4.34Å; S669-L755 WeakPolarHBondContact O-CD2 3.3Å; E670-L755 HydrophobicContact CB-CD2 4.03Å; E670-L755 HydrophobicContact CG-CD2 4.38Å; L755-I760 HydrophobicContact CD1-CG1 3.87Å; L755-L789 HydrophobicContact CD1-CD1 3.68Å; L755-F818 WeakPolarHBondContact O-CB 3.3Å |
| 756 | G | 90.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 134.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G758 R759 | G756-G758 VanDerWaalsContact C-N 3.31Å; G756-G758 PolarHBondContact O-N 2.79Å; G756-G758 VanDerWaalsContact O-N 3.17Å; G756-R759 PolarHBondContact N-O 3Å; G756-R759 PolarHBondContact O-N 2.74Å |
| 757 | N | 85.3 | Confident | 93.6 | Very high | 103 Ų | 103 | 20 Ų | 20 | 55% | 0.551 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.7 | 49.2 | 179.4 | -65.1 | -1.5 | 0 | 0 | 0 | 114.9 | R759 F818 D820 | N757-R759 VanDerWaalsContact C-N 3.27Å; N757-R759 PolarHBondContact O-N 3.23Å; N757-F818 HydrophobicContact CB-CZ 4.33Å; N757-F818 WeakPolarHBondContact OD1-CZ 3.41Å; N757-D820 PolarHBondContact ND2-OD2 2.85Å |
| 758 | G | 85.8 | Confident | 93 | Very high | 26 Ų | 26 | 21 Ų | 21 | 27% | 0.268 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 10 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G756 L789 | G756-G758 VanDerWaalsContact C-N 3.31Å; G756-G758 PolarHBondContact O-N 2.79Å; G756-G758 VanDerWaalsContact O-N 3.17Å; G758-L789 WeakPolarHBondContact O-CB 3.38Å; G758-L789 PolarHBondContact O-N 2.89Å |
| 759 | R | 91.3 | Very high | 91.7 | Very high | 104 Ų | 104 | 25 Ų | 25 | 39% | 0.392 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.4 | 179.6 | -69.3 | 172.7 | 163.3 | 154.7 | -2.9 | 110.3 | G756 N757 Y761 V786 L787 E788 | G756-R759 PolarHBondContact N-O 3Å; G756-R759 PolarHBondContact O-N 2.74Å; N757-R759 VanDerWaalsContact C-N 3.27Å; N757-R759 PolarHBondContact O-N 3.23Å; R759-Y761 HydrophobicContact CB-CE2 4.1Å; R759-V786 HydrophobicContact CB-CG1 3.96Å; R759-V786 HydrophobicContact CG-CG1 4.12Å; R759-L787 WeakPolarHBondContact CA-O 3.39Å; R759-E788 HydrophobicContact CG-CG 4.29Å; R759-E788 IonicContact CZ-OE1 2.79Å; R759-E788 IonicContact NE-OE1 3.43Å; R759-E788 PolarHBondContact NE-OE1 3.14Å; R759-E788 IonicContact NH2-OE1 3.13Å; R759-E788 PolarHBondContact NH2-OE1 2.97Å |
| 760 | I | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.6 | 170 | -48.2 | 171.5 | 0 | 0 | 0 | 109.5 | V668 L675 F753 T754 L755 V786 L787 L789 | V668-I760 HydrophobicContact CG1-CG2 4.42Å; V668-I760 HydrophobicContact CG2-CD1 3.4Å; V668-I760 HydrophobicContact CG2-CG1 4Å; V668-I760 HydrophobicContact CG2-CG2 4.39Å; L675-I760 HydrophobicContact CB-CD1 4.28Å; L675-I760 HydrophobicContact CD1-CD1 3.77Å; F753-I760 HydrophobicContact CD1-CG2 3.98Å; F753-I760 HydrophobicContact CD2-CB 4.46Å; F753-I760 HydrophobicContact CD2-CG2 3.4Å; F753-I760 HydrophobicContact CE1-CD1 3.84Å; F753-I760 HydrophobicContact CE1-CG2 4.03Å; F753-I760 HydrophobicContact CE2-CB 4.07Å; F753-I760 HydrophobicContact CE2-CD1 4.3Å; F753-I760 HydrophobicContact CE2-CG2 3.45Å; F753-I760 VanDerWaalsContact CE2-CG2 3.45Å; F753-I760 HydrophobicContact CG-CG2 3.67Å; F753-I760 HydrophobicContact CZ-CB 4.26Å; F753-I760 HydrophobicContact CZ-CD1 3.62Å; F753-I760 HydrophobicContact CZ-CG2 3.78Å; T754-I760 WeakPolarHBondContact O-CA 3.47Å; T754-I760 WeakPolarHBondContact O-CG2 3.38Å; L755-I760 HydrophobicContact CD1-CG1 3.87Å; I760-V786 CarbonylContact O-C 3.46Å; I760-V786 WeakPolarHBondContact O-CA 3.15Å; I760-L787 HydrophobicContact CB-CB 4.29Å; I760-L787 HydrophobicContact CD1-CD2 4.36Å; I760-L787 PolarHBondContact N-O 2.94Å; I760-L787 PolarHBondContact O-N 3.17Å; I760-L789 HydrophobicContact CD1-CD1 4.14Å; I760-L789 HydrophobicContact CD1-CD2 3.76Å; I760-L789 HydrophobicContact CD1-CG 4.34Å; I760-L789 HydrophobicContact CG1-CD1 3.98Å; I760-L789 HydrophobicContact CG1-CD2 4.09Å; I760-L789 HydrophobicContact CG1-CG 4.19Å |
| 761 | Y | 95.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117 | 176.3 | -55.9 | -88 | 0 | 0 | 0 | 108.7 | F753 T754 R759 V786 L827 I846 | F753-Y761 WeakPolarHBondContact CA-O 3.27Å; T754-Y761 PolarHBondContact N-O 2.86Å; T754-Y761 WeakPolarHBondContact O-CD2 3.38Å; T754-Y761 PolarHBondContact O-N 2.85Å; R759-Y761 HydrophobicContact CB-CE2 4.1Å; Y761-V786 HydrophobicContact CD1-CG2 3.79Å; Y761-V786 HydrophobicContact CE1-CG1 4.24Å; Y761-V786 HydrophobicContact CE1-CG2 3.9Å; Y761-L827 HydrophobicContact CG-CD2 4.32Å; Y761-I846 HydrophobicContact CE1-CD1 4.25Å; Y761-I846 HydrophobicContact CE1-CG1 4.28Å; Y761-I846 HydrophobicContact CE1-CG2 4.21Å; Y761-I846 HydrophobicContact CE2-CD1 4.05Å; Y761-I846 WeakPolarHBondContact OH-CG2 3.44Å |
| 762 | L | 96.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126 | 172.8 | -178.5 | 148.6 | 0 | 0 | 0 | 108.7 | F677 P745 S752 F753 L784 Y785 W798 | F677-L762 HydrophobicContact CD1-CD1 3.38Å; F677-L762 HydrophobicContact CE1-CD1 3.53Å; F677-L762 HydrophobicContact CG-CD1 4.2Å; F677-L762 HydrophobicContact CZ-CD1 4.44Å; P745-L762 HydrophobicContact CB-CD1 4.43Å; P745-L762 HydrophobicContact CB-CD2 4.29Å; P745-L762 HydrophobicContact CG-CD1 4.4Å; S752-L762 VanDerWaalsContact O-CA 3.31Å; S752-L762 WeakPolarHBondContact O-CA 3.35Å; F753-L762 HydrophobicContact CD2-CB 4.06Å; F753-L762 HydrophobicContact CD2-CD1 4.12Å; F753-L762 HydrophobicContact CD2-CG 4.46Å; F753-L762 HydrophobicContact CE2-CD1 4.45Å; L762-L784 WeakPolarHBondContact O-CA 3.44Å; L762-L784 WeakPolarHBondContact O-CD1 3.44Å; L762-Y785 HydrophobicContact CD2-CD2 4.22Å; L762-Y785 PolarHBondContact N-O 3.25Å; L762-Y785 PolarHBondContact O-N 2.98Å; L762-W798 HydrophobicContact CB-CH2 4.35Å; L762-W798 HydrophobicContact CB-CZ3 4.2Å; L762-W798 HydrophobicContact CD1-CH2 3.92Å; L762-W798 HydrophobicContact CD1-CZ3 4.49Å |
| 763 | F | 96.4 | Very high | 82.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.6 | 177.6 | -174.2 | -95.7 | 0 | 0 | 0 | 112.9 | S752 N782 D783 L784 P808 R811 H814 L829 W851 | S752-F763 PolarHBondContact N-O 3.19Å; S752-F763 VanDerWaalsContact N-O 3.08Å; S752-F763 PolarHBondContact O-N 3.08Å; S752-F763 PolarHBondContact OG-O 2.85Å; F763-N782 HydrophobicContact CE2-CB 4.27Å; F763-N782 WeakPolarHBondContact CE2-O 3.36Å; F763-N782 HydrophobicContact CZ-CB 3.75Å; F763-D783 WeakPolarHBondContact CA-O 3.41Å; F763-L784 HydrophobicContact CB-CD1 3.99Å; F763-L784 HydrophobicContact CD2-CB 4.26Å; F763-L784 HydrophobicContact CD2-CD1 3.94Å; F763-L784 HydrophobicContact CG-CD1 4.44Å; F763-P808 HydrophobicContact CE1-CB 4.13Å; F763-P808 HydrophobicContact CE1-CG 4.19Å; F763-P808 HydrophobicContact CE2-CG 4.43Å; F763-P808 HydrophobicContact CZ-CB 3.82Å; F763-P808 HydrophobicContact CZ-CG 3.7Å; F763-R811 HydrophobicContact CE1-CG 4.34Å; F763-H814 AromaticContact CD1-NE2 3.8Å; F763-H814 PolarHBondContact O-CE1 2.83Å; F763-H814 VanDerWaalsContact O-CE1 3.29Å; F763-H814 PolarHBondContact O-NE2 2.88Å; F763-L829 HydrophobicContact CD1-CD1 3.34Å; F763-L829 HydrophobicContact CE1-CD1 3.51Å; F763-L829 HydrophobicContact CG-CD1 4.22Å; F763-L829 HydrophobicContact CZ-CD1 4.5Å; F763-W851 AromaticContact CD2-CZ2 3.75Å; F763-W851 HydrophobicContact CD2-CZ2 3.75Å; F763-W851 AromaticContact CE2-CZ2 3.79Å; F763-W851 HydrophobicContact CE2-CZ2 3.79Å; F763-W851 HydrophobicContact CG-CZ2 4.28Å; F763-W851 HydrophobicContact CZ-CZ2 4.36Å |
| 764 | G | 94.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.4 | -144.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R748 H751 L781 D783 | R748-G764 WeakPolarHBondContact CD-O 3.28Å; R748-G764 PolarHBondContact NH1-O 2.87Å; H751-G764 WeakPolarHBondContact CB-O 3.41Å; G764-L781 WeakPolarHBondContact CA-O 3.34Å; G764-D783 PolarHBondContact N-O 3.4Å; G764-D783 VanDerWaalsContact N-O 3.14Å |
| 765 | G | 94.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.2 | -167.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M749 G750 F780 L781 R811 | M749-G765 CarbonylContact O-C 3.56Å; M749-G765 VanDerWaalsContact O-CA 3.26Å; M749-G765 WeakPolarHBondContact O-CA 3.37Å; G750-G765 WeakPolarHBondContact O-CA 3.3Å; G765-F780 CarbonylContact O-C 3.59Å; G765-L781 WeakPolarHBondContact O-CB 3.36Å; G765-L781 PolarHBondContact O-N 3.02Å; G765-R811 WeakPolarHBondContact CA-O 3.37Å; G765-R811 PolarHBondContact N-O 3.17Å |
| 766 | V | 93.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.3 | 177.3 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | R748 M749 L778 R779 F780 E812 | R748-V766 VanDerWaalsContact CA-O 3.22Å; R748-V766 WeakPolarHBondContact CA-O 3.48Å; R748-V766 WeakPolarHBondContact CB-O 3.24Å; M749-V766 HydrophobicContact CE-CG1 3.58Å; M749-V766 HydrophobicContact CG-CG1 3.47Å; M749-V766 VanDerWaalsContact CG-CG1 3.47Å; M749-V766 PolarHBondContact N-O 2.82Å; M749-V766 PolarHBondContact O-N 3Å; M749-V766 HydrophobicContact SD-CG1 4.43Å; V766-L778 HydrophobicContact CG2-CB 3.87Å; V766-L778 HydrophobicContact CG2-CD2 4.37Å; V766-R779 WeakPolarHBondContact CA-O 3.24Å; V766-R779 WeakPolarHBondContact CG2-O 3.22Å; V766-F780 HydrophobicContact CB-CD1 4.28Å; V766-F780 HydrophobicContact CG2-CD1 4.24Å; V766-F780 HydrophobicContact CG2-CE1 4.46Å; V766-E812 HydrophobicContact CB-CB 4.31Å; V766-E812 HydrophobicContact CG1-CB 4.45Å; V766-E812 WeakPolarHBondContact CG1-OE2 3.44Å |
| 767 | T | 91.7 | Very high | 74.7 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 159.5 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | P747 D769 R779 L781 | P747-T767 WeakPolarHBondContact O-CB 3.48Å; P747-T767 PolarHBondContact O-OG1 3.23Å; T767-D769 PolarHBondContact OG1-N 2.87Å; T767-R779 HydrophobicContact CG2-CB 4.13Å; T767-R779 PolarHBondContact N-O 3.5Å; T767-R779 PolarHBondContact O-N 2.97Å; T767-L781 HydrophobicContact CG2-CD1 4.04Å; T767-L781 HydrophobicContact CG2-CD2 4.09Å; T767-L781 HydrophobicContact CG2-CG 4.32Å |
| 768 | N | 80.2 | Confident | 74.5 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | trans | -105 | 1.2 | 172.9 | 67.2 | -57.3 | 0 | 0 | 0 | 112.7 | Y686 G770 L778 | Y686-N768 HydrophobicContact CD2-CB 4.21Å; Y686-N768 WeakPolarHBondContact CD2-OD1 3.48Å; Y686-N768 HydrophobicContact CE2-CB 3.98Å; N768-G770 VanDerWaalsContact C-N 3.3Å; N768-G770 PolarHBondContact O-N 3.2Å; N768-L778 HydrophobicContact CB-CD2 4.5Å | ||
| 769 | D | 67.9 | Low | 74.6 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | trans | -73.6 | 80.1 | 174.3 | -70 | -29.2 | 0 | 0 | 0 | 110.7 | T767 | T767-D769 PolarHBondContact OG1-N 2.87Š| ||
| 770 | G | 56.7 | Low | 74.6 | Confident | 36 Ų | 36 | 67 Ų | 67 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | trans | -96.8 | 159 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N768 H772 | N768-G770 VanDerWaalsContact C-N 3.3Å; N768-G770 PolarHBondContact O-N 3.2Å; G770-H772 PolarHBondContact O-N 2.86Å; G770-H772 VanDerWaalsContact O-N 3.09Å | ||
| 771 | P | 48 | Very low | 74.6 | Confident | 133 Ų | 133 | 67.6 Ų | 67.6 | 86% | 0.864 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.4 | 2.7 | -177.1 | 30.6 | -36.4 | 0 | 0 | 0 | 115.1 | ||
| 772 | H | 41.2 | Very low | 74.5 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 61% | 0.606 | 38% | 0.383 | S | S | * | . | trans | -126.2 | 113.2 | 178.2 | -112.5 | -81.6 | 0 | 0 | 0 | 111 | G770 L774 N775 | G770-H772 PolarHBondContact O-N 2.86Å; G770-H772 VanDerWaalsContact O-N 3.09Å; H772-L774 PolarHBondContact O-N 2.88Å; H772-L774 VanDerWaalsContact O-N 3.08Å; H772-N775 PolarHBondContact O-N 3.03Å | ||
| 773 | P | 47.8 | Very low | 74.3 | Confident | 132 Ų | 132 | 72.4 Ų | 72.4 | 86% | 0.857 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -2.9 | -177.6 | 29.7 | -36.1 | 0 | 0 | 0 | 114.3 | ||
| 774 | L | 46.9 | Very low | 74.1 | Confident | 160 Ų | 160 | 72.6 Ų | 72.6 | 84% | 0.838 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -2 | -178 | -69.2 | 169.5 | 0 | 0 | 0 | 113.8 | H772 | H772-L774 PolarHBondContact O-N 2.88Å; H772-L774 VanDerWaalsContact O-N 3.08Å |
| 775 | N | 43 | Very low | 74.1 | Confident | 111 Ų | 111 | 73.6 Ų | 73.6 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | trans | -148 | 84.2 | -178.7 | -152.4 | -9.3 | 0 | 0 | 0 | 110.8 | H772 Q777 | H772-N775 PolarHBondContact O-N 3.03Å; N775-Q777 VanDerWaalsContact C-N 3.3Å; N775-Q777 PolarHBondContact O-N 2.64Å | ||
| 776 | S | 52.4 | Low | 74 | Confident | 95 Ų | 95 | 74 Ų | 74 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | trans | -77.7 | 69.2 | -169.8 | 62 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 777 | Q | 65.3 | Low | 74 | Confident | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | trans | -68.9 | 139.2 | 170.3 | -67.5 | -171.9 | -8.4 | 0 | 0 | 111 | N775 | N775-Q777 VanDerWaalsContact C-N 3.3Å; N775-Q777 PolarHBondContact O-N 2.64Å | ||
| 778 | L | 79.5 | Confident | 73.8 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 52% | 0.518 | 41% | 0.406 | S | S | . | . | trans | -76.6 | 129.8 | 177 | -67.5 | 177.4 | 0 | 0 | 0 | 110.6 | Y686 V766 N768 | Y686-L778 HydrophobicContact CE2-CD2 4.31Å; Y686-L778 VanDerWaalsContact OH-CD2 3.29Å; Y686-L778 WeakPolarHBondContact OH-CD2 3.47Å; V766-L778 HydrophobicContact CG2-CB 3.87Å; V766-L778 HydrophobicContact CG2-CD2 4.37Å; N768-L778 HydrophobicContact CB-CD2 4.5Å | ||
| 779 | R | 88 | Confident | 74 | Confident | 156 Ų | 156 | 72.8 Ų | 72.8 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.8 | -179.6 | -179.6 | 179.4 | 178.6 | -175.7 | 2.7 | 111 | V766 T767 L781 | V766-R779 WeakPolarHBondContact CA-O 3.24Å; V766-R779 WeakPolarHBondContact CG2-O 3.22Å; T767-R779 HydrophobicContact CG2-CB 4.13Å; T767-R779 PolarHBondContact N-O 3.5Å; T767-R779 PolarHBondContact O-N 2.97Å; R779-L781 HydrophobicContact CG-CD2 4.21Å |
| 780 | F | 92.3 | Very high | 74 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 23% | 0.232 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 152 | 167.8 | -58.4 | -69.3 | 0 | 0 | 0 | 111.2 | G765 V766 P810 E812 T833 E835 | G765-F780 CarbonylContact O-C 3.59Å; V766-F780 HydrophobicContact CB-CD1 4.28Å; V766-F780 HydrophobicContact CG2-CD1 4.24Å; V766-F780 HydrophobicContact CG2-CE1 4.46Å; F780-P810 HydrophobicContact CB-CB 3.75Å; F780-E812 HydrophobicContact CD1-CB 4.35Å; F780-E812 HydrophobicContact CD1-CG 4.22Å; F780-E812 HydrophobicContact CE1-CG 3.93Å; F780-T833 HydrophobicContact CE1-CG2 4.46Å; F780-E835 HydrophobicContact CE2-CG 4.03Å |
| 781 | L | 93.9 | Very high | 73.8 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.6 | -173.7 | -55.9 | 174 | 0 | 0 | 0 | 111.8 | R748 G764 G765 T767 R779 D783 P810 R811 | R748-L781 VanDerWaalsContact CZ-CD1 3.46Å; G764-L781 WeakPolarHBondContact CA-O 3.34Å; G765-L781 WeakPolarHBondContact O-CB 3.36Å; G765-L781 PolarHBondContact O-N 3.02Å; T767-L781 HydrophobicContact CG2-CD1 4.04Å; T767-L781 HydrophobicContact CG2-CD2 4.09Å; T767-L781 HydrophobicContact CG2-CG 4.32Å; R779-L781 HydrophobicContact CG-CD2 4.21Å; L781-D783 WeakPolarHBondContact CB-OD1 3.37Å; L781-P810 WeakPolarHBondContact O-CA 3.18Å; L781-R811 PolarHBondContact O-N 3.45Å |
| 782 | N | 93.6 | Very high | 73.9 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 35% | 0.353 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 27 | 170.4 | 61.2 | -13.4 | 0 | 0 | 0 | 112.1 | F763 P808 P810 | F763-N782 HydrophobicContact CE2-CB 4.27Å; F763-N782 WeakPolarHBondContact CE2-O 3.36Å; F763-N782 HydrophobicContact CZ-CB 3.75Å; N782-P808 VanDerWaalsContact CB-O 3.24Å; N782-P808 WeakPolarHBondContact CB-O 3.43Å; N782-P808 PolarHBondContact ND2-O 2.9Å; N782-P810 HydrophobicContact CB-CG 4.32Å |
| 783 | D | 92.2 | Very high | 74.1 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 139.8 | 175.5 | 52.2 | -7.2 | 0 | 0 | 0 | 111.4 | R748 F763 G764 L781 Y785 | R748-D783 IonicContact CZ-OD1 2.68Å; R748-D783 IonicContact CZ-OD2 2.82Å; R748-D783 IonicContact NH1-OD1 3.23Å; R748-D783 PolarHBondContact NH1-OD1 3.48Å; R748-D783 IonicContact NH1-OD2 2.88Å; R748-D783 PolarHBondContact NH1-OD2 3.48Å; R748-D783 IonicContact NH2-OD1 3.57Å; R748-D783 IonicContact NH2-OD2 3.07Å; R748-D783 PolarHBondContact NH2-OD2 3.05Å; F763-D783 WeakPolarHBondContact CA-O 3.41Å; G764-D783 PolarHBondContact N-O 3.4Å; G764-D783 VanDerWaalsContact N-O 3.14Å; L781-D783 WeakPolarHBondContact CB-OD1 3.37Å; D783-Y785 HydrophobicContact CB-CD2 4.49Å; D783-Y785 HydrophobicContact CB-CE2 4.09Å; D783-Y785 WeakPolarHBondContact OD2-CE2 3.48Å |
| 784 | L | 93.6 | Very high | 74.3 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.2 | 169.6 | -167.7 | 78 | 0 | 0 | 0 | 110.1 | L762 F763 C800 P801 I803 L844 M849 W851 | L762-L784 WeakPolarHBondContact O-CA 3.44Å; L762-L784 WeakPolarHBondContact O-CD1 3.44Å; F763-L784 HydrophobicContact CB-CD1 3.99Å; F763-L784 HydrophobicContact CD2-CB 4.26Å; F763-L784 HydrophobicContact CD2-CD1 3.94Å; F763-L784 HydrophobicContact CG-CD1 4.44Å; L784-C800 PolarHBondContact O-SG 2.56Å; L784-C800 VanDerWaalsContact O-SG 3.34Å; L784-P801 HydrophobicContact CD2-CG 3.94Å; L784-I803 HydrophobicContact CB-CD1 4.15Å; L784-I803 HydrophobicContact CD2-CD1 3.67Å; L784-L844 HydrophobicContact CD1-CD2 4.4Å; L784-L844 HydrophobicContact CD2-CD2 3.55Å; L784-M849 HydrophobicContact CD2-CE 3.61Å; L784-W851 HydrophobicContact CD1-CZ2 4.5Å |
| 785 | Y | 93.9 | Very high | 75.3 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.3 | 165.4 | -72 | -96.4 | 0 | 0 | 0 | 110.3 | P743 P745 L762 D783 S799 C800 | P743-Y785 WeakPolarHBondContact O-CE1 3.44Å; P745-Y785 HydrophobicContact CB-CD2 3.97Å; P745-Y785 HydrophobicContact CB-CE2 4.06Å; P745-Y785 HydrophobicContact CB-CG 4.27Å; P745-Y785 HydrophobicContact CG-CD1 3.87Å; P745-Y785 HydrophobicContact CG-CD2 3.89Å; P745-Y785 HydrophobicContact CG-CE1 4.28Å; P745-Y785 HydrophobicContact CG-CE2 4.29Å; P745-Y785 HydrophobicContact CG-CG 3.66Å; L762-Y785 HydrophobicContact CD2-CD2 4.22Å; L762-Y785 PolarHBondContact N-O 3.25Å; L762-Y785 PolarHBondContact O-N 2.98Å; D783-Y785 HydrophobicContact CB-CD2 4.49Å; D783-Y785 HydrophobicContact CB-CE2 4.09Å; D783-Y785 WeakPolarHBondContact OD2-CE2 3.48Å; Y785-S799 WeakPolarHBondContact CA-O 3.43Å; Y785-C800 HydrophobicContact CD1-CB 3.89Å; Y785-C800 HydrophobicContact CE1-CB 3.8Å |
| 786 | V | 93 | Very high | 77.4 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.2 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | R759 I760 Y761 S799 P801 | R759-V786 HydrophobicContact CB-CG1 3.96Å; R759-V786 HydrophobicContact CG-CG1 4.12Å; I760-V786 CarbonylContact O-C 3.46Å; I760-V786 WeakPolarHBondContact O-CA 3.15Å; Y761-V786 HydrophobicContact CD1-CG2 3.79Å; Y761-V786 HydrophobicContact CE1-CG1 4.24Å; Y761-V786 HydrophobicContact CE1-CG2 3.9Å; V786-S799 PolarHBondContact N-O 3.16Å; V786-S799 PolarHBondContact O-N 3.42Å; V786-P801 HydrophobicContact CG2-CG 3.95Å |
| 787 | L | 92 | Very high | 79 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.1 | 171.7 | -173.6 | 59.4 | 0 | 0 | 0 | 109.2 | L690 P735 F753 R759 I760 L789 M796 R797 W798 | L690-L787 HydrophobicContact CD1-CD2 4.27Å; L690-L787 HydrophobicContact CD2-CD2 3.76Å; P735-L787 HydrophobicContact CB-CD1 3.76Å; P735-L787 HydrophobicContact CG-CD1 3.75Å; F753-L787 HydrophobicContact CZ-CD2 4.3Å; R759-L787 WeakPolarHBondContact CA-O 3.39Å; I760-L787 HydrophobicContact CB-CB 4.29Å; I760-L787 HydrophobicContact CD1-CD2 4.36Å; I760-L787 PolarHBondContact N-O 2.94Å; I760-L787 PolarHBondContact O-N 3.17Å; L787-L789 HydrophobicContact CD2-CD2 4.22Å; L787-L789 HydrophobicContact CG-CD2 4.18Å; L787-M796 HydrophobicContact CD1-CB 3.91Å; L787-M796 HydrophobicContact CD2-SD 4.38Å; L787-R797 WeakPolarHBondContact CA-O 3.43Å; L787-W798 HydrophobicContact CB-CD2 4.42Å; L787-W798 HydrophobicContact CB-CE3 3.84Å; L787-W798 HydrophobicContact CB-CH2 4.12Å; L787-W798 HydrophobicContact CB-CZ3 3.69Å; L787-W798 HydrophobicContact CD1-CD2 3.92Å; L787-W798 HydrophobicContact CD1-CE3 4.19Å; L787-W798 HydrophobicContact CD1-CG 4.26Å; L787-W798 HydrophobicContact CD1-CZ2 4.49Å; L787-W798 HydrophobicContact CD2-CH2 4.34Å; L787-W798 HydrophobicContact CD2-CZ2 4.32Å |
| 788 | E | 88 | Confident | 80.1 | Confident | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116.4 | 173.6 | -64.3 | -175.4 | 137.7 | 0 | 0 | 108.7 | R759 R790 L791 M796 R797 | R759-E788 HydrophobicContact CG-CG 4.29Å; R759-E788 IonicContact CZ-OE1 2.79Å; R759-E788 IonicContact NE-OE1 3.43Å; R759-E788 PolarHBondContact NE-OE1 3.14Å; R759-E788 IonicContact NH2-OE1 3.13Å; R759-E788 PolarHBondContact NH2-OE1 2.97Å; E788-R790 VanDerWaalsContact C-N 3.27Å; E788-R790 PolarHBondContact O-N 3.19Å; E788-L791 HydrophobicContact CB-CD1 3.96Å; E788-L791 HydrophobicContact CB-CG 4.41Å; E788-M796 VanDerWaalsContact O-CA 3.31Å; E788-M796 WeakPolarHBondContact O-CA 3.45Å; E788-R797 PolarHBondContact N-O 3.03Å; E788-R797 PolarHBondContact O-N 3.17Å; E788-R797 VanDerWaalsContact O-N 3.13Å; E788-R797 IonicContact OE2-NE 3.08Å |
| 789 | L | 84 | Confident | 80.5 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -81.7 | -3.9 | -174.1 | -62.8 | -175.3 | 0 | 0 | 0 | 114.4 | L675 L755 G758 I760 L787 M796 | L675-L789 HydrophobicContact CD1-CD1 4.31Å; L675-L789 HydrophobicContact CD1-CD2 3.53Å; L755-L789 HydrophobicContact CD1-CD1 3.68Å; G758-L789 WeakPolarHBondContact O-CB 3.38Å; G758-L789 PolarHBondContact O-N 2.89Å; I760-L789 HydrophobicContact CD1-CD1 4.14Å; I760-L789 HydrophobicContact CD1-CD2 3.76Å; I760-L789 HydrophobicContact CD1-CG 4.34Å; I760-L789 HydrophobicContact CG1-CD1 3.98Å; I760-L789 HydrophobicContact CG1-CD2 4.09Å; I760-L789 HydrophobicContact CG1-CG 4.19Å; L787-L789 HydrophobicContact CD2-CD2 4.22Å; L787-L789 HydrophobicContact CG-CD2 4.18Å; L789-M796 HydrophobicContact CD2-SD 4.13Å |
| 790 | R | 68.4 | Low | 80.6 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 40% | 0.404 | 23% | 0.226 | S | C | . | . | trans | -149.6 | 88 | -164.7 | -82.6 | -172.7 | 175.9 | 152.4 | 0.6 | 112.2 | L256 L259 E788 | L256-R790 PolarHBondContact O-NH2 2.88Å; L259-R790 HydrophobicContact CD1-CB 4.18Å; L259-R790 HydrophobicContact CD1-CG 4.29Å; L259-R790 HydrophobicContact CD2-CB 3.61Å; L259-R790 HydrophobicContact CD2-CG 3.85Å; L259-R790 HydrophobicContact CG-CB 4.48Å; L259-R790 HydrophobicContact CG-CG 4.48Å; E788-R790 VanDerWaalsContact C-N 3.27Å; E788-R790 PolarHBondContact O-N 3.19Å | ||
| 791 | L | 51.7 | Low | 80.3 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | trans | -131.8 | 82.3 | 174 | -81.1 | 161.6 | 0 | 0 | 0 | 112.5 | E788 S793 F794 G795 R797 | E788-L791 HydrophobicContact CB-CD1 3.96Å; E788-L791 HydrophobicContact CB-CG 4.41Å; L791-S793 PolarHBondContact O-N 2.93Å; L791-F794 PolarHBondContact O-N 2.83Å; L791-G795 PolarHBondContact N-O 3.05Å; L791-R797 HydrophobicContact CD1-CB 3.21Å; L791-R797 HydrophobicContact CD1-CG 4.09Å | ||
| 792 | G | 51.5 | Low | 79.9 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -133.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L259 F794 | L259-G792 WeakPolarHBondContact CD1-O 3.46Å; G792-F794 VanDerWaalsContact C-N 3.32Å |
| 793 | S | 45 | Very low | 79.4 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.6 | 173.6 | 45.3 | 0 | 0 | 0 | 0 | 114.5 | L791 | L791-S793 PolarHBondContact O-N 2.93Š|
| 794 | F | 52.6 | Low | 78.7 | Confident | 158 Ų | 158 | 52 Ų | 52 | 69% | 0.693 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -99.7 | 0.4 | -169.9 | -59.5 | -77.7 | 0 | 0 | 0 | 114.6 | L791 G792 | L791-F794 PolarHBondContact O-N 2.83Å; G792-F794 VanDerWaalsContact C-N 3.32Å |
| 795 | G | 68.3 | Low | 77.6 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | trans | 81.1 | -143.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L791 | L791-G795 PolarHBondContact N-O 3.05Š| ||
| 796 | M | 85.8 | Confident | 77 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | trans | -93.1 | 150.6 | 177.9 | -56.8 | 178.6 | -169.1 | 0 | 0 | 110.6 | L675 L690 E692 V733 P735 V736 L787 E788 L789 | L675-M796 HydrophobicContact CD1-CE 4.27Å; L675-M796 HydrophobicContact CD2-CE 3.91Å; L675-M796 HydrophobicContact CD2-SD 4.27Å; L690-M796 HydrophobicContact CD2-SD 4.11Å; E692-M796 WeakPolarHBondContact OE1-CE 3.48Å; V733-M796 HydrophobicContact CG1-CE 4.41Å; V733-M796 HydrophobicContact CG1-SD 3.9Å; P735-M796 CarbonylContact C-O 3.47Å; P735-M796 VanDerWaalsContact CA-O 3.24Å; P735-M796 WeakPolarHBondContact CA-O 3.24Å; P735-M796 HydrophobicContact CB-CB 4.06Å; P735-M796 WeakPolarHBondContact CB-O 3.48Å; P735-M796 HydrophobicContact CG-CB 4.25Å; V736-M796 PolarHBondContact N-O 2.83Å; L787-M796 HydrophobicContact CD1-CB 3.91Å; L787-M796 HydrophobicContact CD2-SD 4.38Å; E788-M796 VanDerWaalsContact O-CA 3.31Å; E788-M796 WeakPolarHBondContact O-CA 3.45Å; L789-M796 HydrophobicContact CD2-SD 4.13Å | ||
| 797 | R | 85.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.2 | 178.6 | -171.4 | 166.1 | 92.2 | 156.2 | 7.6 | 113.1 | V736 L787 E788 L791 | V736-R797 CarbonylContact O-C 3.58Å; V736-R797 VanDerWaalsContact O-CA 3.25Å; V736-R797 WeakPolarHBondContact O-CA 3.19Å; V736-R797 WeakPolarHBondContact O-CG 3.49Å; L787-R797 WeakPolarHBondContact CA-O 3.43Å; E788-R797 PolarHBondContact N-O 3.03Å; E788-R797 PolarHBondContact O-N 3.17Å; E788-R797 VanDerWaalsContact O-N 3.13Å; E788-R797 IonicContact OE2-NE 3.08Å; L791-R797 HydrophobicContact CD1-CB 3.21Å; L791-R797 HydrophobicContact CD1-CG 4.09Å |
| 798 | W | 89.7 | Confident | 76.8 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.6 | 164.6 | -74.3 | 120 | 0 | 0 | 0 | 110.5 | F677 P735 V736 T738 P745 F753 L762 L787 | F677-W798 HydrophobicContact CD2-CZ2 4.07Å; F677-W798 AromaticContact CE2-CZ2 3.97Å; F677-W798 HydrophobicContact CE2-CZ2 3.97Å; F677-W798 HydrophobicContact CZ-CZ2 4.48Å; P735-W798 HydrophobicContact CB-CG 4.32Å; V736-W798 PolarHBondContact O-N 2.82Å; T738-W798 PolarHBondContact N-O 2.83Å; P745-W798 HydrophobicContact CG-CD2 3.9Å; P745-W798 HydrophobicContact CG-CE3 3.92Å; P745-W798 HydrophobicContact CG-CH2 3.77Å; P745-W798 HydrophobicContact CG-CZ2 3.76Å; P745-W798 HydrophobicContact CG-CZ3 3.84Å; F753-W798 HydrophobicContact CE2-CH2 4.04Å; L762-W798 HydrophobicContact CB-CH2 4.35Å; L762-W798 HydrophobicContact CB-CZ3 4.2Å; L762-W798 HydrophobicContact CD1-CH2 3.92Å; L762-W798 HydrophobicContact CD1-CZ3 4.49Å; L787-W798 HydrophobicContact CB-CD2 4.42Å; L787-W798 HydrophobicContact CB-CE3 3.84Å; L787-W798 HydrophobicContact CB-CH2 4.12Å; L787-W798 HydrophobicContact CB-CZ3 3.69Å; L787-W798 HydrophobicContact CD1-CD2 3.92Å; L787-W798 HydrophobicContact CD1-CE3 4.19Å; L787-W798 HydrophobicContact CD1-CG 4.26Å; L787-W798 HydrophobicContact CD1-CZ2 4.49Å; L787-W798 HydrophobicContact CD2-CH2 4.34Å; L787-W798 HydrophobicContact CD2-CZ2 4.32Å |
| 799 | S | 88.1 | Confident | 77.1 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152 | 160.8 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | Y785 V786 | Y785-S799 WeakPolarHBondContact CA-O 3.43Å; V786-S799 PolarHBondContact N-O 3.16Å; V786-S799 PolarHBondContact O-N 3.42Å |
| 800 | C | 88.6 | Confident | 77.6 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | trans | -114.4 | 97.5 | 168.8 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | K742 L784 Y785 | K742-C800 HydrophobicContact CB-CB 4.47Å; K742-C800 HydrophobicContact CD-CB 3.61Å; K742-C800 PolarHBondContact NZ-SG 3.25Å; L784-C800 PolarHBondContact O-SG 2.56Å; L784-C800 VanDerWaalsContact O-SG 3.34Å; Y785-C800 HydrophobicContact CD1-CB 3.89Å; Y785-C800 HydrophobicContact CE1-CB 3.8Å | ||
| 801 | P | 86.7 | Confident | 78.9 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.1 | -175.1 | 27.5 | -35.4 | 0 | 0 | 0 | 111.6 | L784 V786 I803 M849 | L784-P801 HydrophobicContact CD2-CG 3.94Å; V786-P801 HydrophobicContact CG2-CG 3.95Å; P801-I803 HydrophobicContact CG-CD1 4.19Å; P801-I803 PolarHBondContact O-N 2.95Å; P801-M849 HydrophobicContact CB-CE 3.85Å; P801-M849 HydrophobicContact CG-CE 3.53Å |
| 802 | R | 84.4 | Confident | 81 | Confident | 215 Ų | 215 | 56 Ų | 56 | 81% | 0.811 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 121.2 | 166.8 | -176.2 | 176.9 | -178.2 | 173.1 | 0.9 | 107.8 | ||
| 803 | I | 84.3 | Confident | 83 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 145.1 | 176 | -59.3 | -56.6 | 0 | 0 | 0 | 109.5 | L784 P801 S807 M849 | L784-I803 HydrophobicContact CB-CD1 4.15Å; L784-I803 HydrophobicContact CD2-CD1 3.67Å; P801-I803 HydrophobicContact CG-CD1 4.19Å; P801-I803 PolarHBondContact O-N 2.95Å; I803-S807 WeakPolarHBondContact CG2-OG 3.45Å; I803-M849 WeakPolarHBondContact CA-O 3.48Å; I803-M849 HydrophobicContact CD1-CE 4.21Å |
| 804 | L | 77.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -115.1 | 159.5 | 171.4 | -58.4 | 178 | 0 | 0 | 0 | 110.6 | M849 S850 W851 | L804-M849 PolarHBondContact N-O 2.99Å; L804-S850 WeakPolarHBondContact O-CA 3.41Å; L804-S850 PolarHBondContact O-OG 3.43Å; L804-W851 PolarHBondContact O-N 3.29Å; L804-W851 VanDerWaalsContact O-N 3.16Å |
| 805 | G | 71 | Confident | 87.5 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 61% | 0.608 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 70.7 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S807 | G805-S807 PolarHBondContact O-N 2.95Š|
| 806 | S | 81.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -68.9 | 123.1 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 110 | W842 W851 | S806-W842 WeakPolarHBondContact O-CZ3 3.33Å; S806-W851 WeakPolarHBondContact O-CB 3.42Å |
| 807 | S | 87.2 | Confident | 89.3 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -87.6 | 157.8 | 176.4 | -62 | 0 | 0 | 0 | 0 | 111.8 | I803 G805 | I803-S807 WeakPolarHBondContact CG2-OG 3.45Å; G805-S807 PolarHBondContact O-N 2.95Å |
| 808 | P | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 151.2 | 173.2 | -17.9 | 27.3 | 0 | 0 | 0 | 111.9 | F763 N782 W842 W851 | F763-P808 HydrophobicContact CE1-CB 4.13Å; F763-P808 HydrophobicContact CE1-CG 4.19Å; F763-P808 HydrophobicContact CE2-CG 4.43Å; F763-P808 HydrophobicContact CZ-CB 3.82Å; F763-P808 HydrophobicContact CZ-CG 3.7Å; N782-P808 VanDerWaalsContact CB-O 3.24Å; N782-P808 WeakPolarHBondContact CB-O 3.43Å; N782-P808 PolarHBondContact ND2-O 2.9Å; P808-W842 HydrophobicContact CB-CD2 4.07Å; P808-W842 HydrophobicContact CB-CG 3.96Å; P808-W842 HydrophobicContact CG-CB 3.88Å; P808-W842 HydrophobicContact CG-CD2 3.81Å; P808-W842 HydrophobicContact CG-CE3 4.21Å; P808-W842 HydrophobicContact CG-CG 3.66Å; P808-W851 HydrophobicContact CG-CD2 3.87Å; P808-W851 HydrophobicContact CG-CE3 3.85Å; P808-W851 HydrophobicContact CG-CG 4.43Å; P808-W851 HydrophobicContact CG-CH2 4.3Å; P808-W851 HydrophobicContact CG-CZ2 4.29Å; P808-W851 HydrophobicContact CG-CZ3 4.08Å |
| 809 | S | 94 | Very high | 90 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 148.9 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | R811 | S809-R811 WeakPolarHBondContact O-CG 3.43Å; S809-R811 PolarHBondContact O-N 2.91Å; S809-R811 PolarHBondContact O-NE 2.85Å; S809-R811 PolarHBondContact OG-NH2 2.88Å |
| 810 | P | 94.7 | Very high | 90.1 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -52.6 | 124.3 | 173.4 | -25.7 | 35 | 0 | 0 | 0 | 111.8 | F780 L781 N782 S834 | F780-P810 HydrophobicContact CB-CB 3.75Å; L781-P810 WeakPolarHBondContact O-CA 3.18Å; N782-P810 HydrophobicContact CB-CG 4.32Å; P810-S834 VanDerWaalsContact O-CB 3.25Å; P810-S834 WeakPolarHBondContact O-CB 3.47Å; P810-S834 PolarHBondContact O-OG 2.74Å |
| 811 | R | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -154.1 | 156.1 | -169.2 | 64.2 | -176.8 | 67 | -158.6 | 1.3 | 113.9 | F763 G765 L781 S809 G831 T833 L838 D840 | F763-R811 HydrophobicContact CE1-CG 4.34Å; G765-R811 WeakPolarHBondContact CA-O 3.37Å; G765-R811 PolarHBondContact N-O 3.17Å; L781-R811 PolarHBondContact O-N 3.45Å; S809-R811 WeakPolarHBondContact O-CG 3.43Å; S809-R811 PolarHBondContact O-N 2.91Å; S809-R811 PolarHBondContact O-NE 2.85Å; S809-R811 PolarHBondContact OG-NH2 2.88Å; R811-G831 PolarHBondContact NH1-O 2.97Å; R811-T833 VanDerWaalsContact CA-O 3.24Å; R811-T833 WeakPolarHBondContact CA-O 3.31Å; R811-L838 HydrophobicContact CB-CD1 4.07Å; R811-D840 IonicContact CZ-OD1 3.31Å; R811-D840 IonicContact CZ-OD2 3.03Å; R811-D840 IonicContact NH1-OD1 2.85Å; R811-D840 PolarHBondContact NH1-OD1 2.81Å; R811-D840 IonicContact NH1-OD2 3.92Å; R811-D840 PolarHBondContact NH1-OD2 3.24Å; R811-D840 IonicContact NH2-OD1 2.7Å; R811-D840 IonicContact NH2-OD2 3.83Å; R811-D840 PolarHBondContact NH2-OD2 2.92Å | ||
| 812 | E | 94.9 | Very high | 89.3 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -124.3 | 167.3 | 166.2 | 76.9 | 166.6 | 140.8 | 0 | 0 | 112.9 | G750 V766 F780 H814 G832 T833 | G750-E812 CarbonylContact O-C 3.59Å; G750-E812 VanDerWaalsContact O-CA 3.32Å; G750-E812 WeakPolarHBondContact O-CA 3.4Å; V766-E812 HydrophobicContact CB-CB 4.31Å; V766-E812 HydrophobicContact CG1-CB 4.45Å; V766-E812 WeakPolarHBondContact CG1-OE2 3.44Å; F780-E812 HydrophobicContact CD1-CB 4.35Å; F780-E812 HydrophobicContact CD1-CG 4.22Å; F780-E812 HydrophobicContact CE1-CG 3.93Å; E812-H814 PolarHBondContact O-N 2.97Å; E812-H814 VanDerWaalsContact O-N 3.15Å; E812-G832 CarbonylContact O-C 3.58Å; E812-G832 WeakPolarHBondContact O-CA 3.35Å; E812-T833 HydrophobicContact CG-CG2 3.62Å; E812-T833 PolarHBondContact N-O 2.95Å; E812-T833 VanDerWaalsContact N-O 3.12Å; E812-T833 PolarHBondContact O-N 2.99Å |
| 813 | S | 94.5 | Very high | 89.1 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 55.8 | 31.1 | 170 | -65.9 | 0 | 0 | 0 | 0 | 114 | G750 T865 M866 | G750-S813 PolarHBondContact O-N 3.28Å; S813-T865 WeakPolarHBondContact CB-OG1 3.26Å; S813-T865 PolarHBondContact O-OG1 2.83Å; S813-M866 PolarHBondContact O-N 2.81Å |
| 814 | H | 96.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | trans | -82.7 | 169.3 | 166.7 | 60.2 | -79.9 | 0 | 0 | 0 | 111.7 | S752 F763 E812 L829 G831 H867 | S752-H814 VanDerWaalsContact CB-NE2 3.27Å; S752-H814 WeakPolarHBondContact CB-NE2 3.49Å; S752-H814 PolarHBondContact OG-NE2 2.56Å; F763-H814 AromaticContact CD1-NE2 3.8Å; F763-H814 PolarHBondContact O-CE1 2.83Å; F763-H814 VanDerWaalsContact O-CE1 3.29Å; F763-H814 PolarHBondContact O-NE2 2.88Å; E812-H814 PolarHBondContact O-N 2.97Å; E812-H814 VanDerWaalsContact O-N 3.15Å; H814-L829 VanDerWaalsContact CD2-CD1 3.49Å; H814-L829 WeakPolarHBondContact CD2-CD1 3.4Å; H814-G831 WeakPolarHBondContact CB-O 3.46Å; H814-H867 WeakPolarHBondContact CA-CE1 3.46Å | ||
| 815 | S | 95.2 | Very high | 90 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.8 | 170.1 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | L829 Y830 H867 A869 | S815-L829 WeakPolarHBondContact O-CA 3.38Å; S815-Y830 PolarHBondContact N-O 2.93Å; S815-Y830 VanDerWaalsContact N-O 3.12Å; S815-Y830 PolarHBondContact O-N 3.47Å; S815-Y830 PolarHBondContact OG-O 3.17Å; S815-H867 WeakPolarHBondContact CA-NE2 3.2Å; S815-H867 WeakPolarHBondContact CB-NE2 3.43Å; S815-H867 PolarHBondContact N-NE2 3.27Å; S815-H867 PolarHBondContact OG-NE2 2.87Å; S815-A869 WeakPolarHBondContact OG-CB 3.41Å |
| 816 | A | 96.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | T754 L827 F828 L829 | T754-A816 WeakPolarHBondContact CG2-O 3.34Å; T754-A816 PolarHBondContact OG1-O 3.26Å; A816-L827 HydrophobicContact CB-CD1 4.1Å; A816-F828 CarbonylContact C-O 3.54Å; A816-F828 WeakPolarHBondContact CA-O 3.31Å; A816-F828 WeakPolarHBondContact CB-O 3.48Å; A816-L829 HydrophobicContact CB-CB 4.42Å |
| 817 | C | 95.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.081 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.7 | -174.4 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | F828 V871 | C817-F828 PolarHBondContact N-O 3.3Å; C817-F828 PolarHBondContact O-N 2.82Å; C817-V871 HydrophobicContact CB-CG2 3.61Å |
| 818 | F | 95.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 140.2 | 172.7 | 177.8 | -98.7 | 0 | 0 | 0 | 110.5 | T754 L755 N757 D820 P825 Q826 I846 | T754-F818 HydrophobicContact CG2-CB 4.02Å; L755-F818 WeakPolarHBondContact O-CB 3.3Å; N757-F818 HydrophobicContact CB-CZ 4.33Å; N757-F818 WeakPolarHBondContact OD1-CZ 3.41Å; F818-D820 HydrophobicContact CE1-CB 3.87Å; F818-D820 HydrophobicContact CZ-CB 3.88Å; F818-P825 HydrophobicContact CE2-CB 3.7Å; F818-P825 HydrophobicContact CZ-CB 3.83Å; F818-Q826 WeakPolarHBondContact CA-O 3.37Å; F818-Q826 WeakPolarHBondContact CD2-O 3.48Å; F818-I846 HydrophobicContact CD2-CD1 3.81Å; F818-I846 HydrophobicContact CE2-CD1 3.65Å |
| 819 | Y | 94.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 138.8 | 176.9 | -178.5 | -129.6 | 0 | 0 | 0 | 108.7 | P821 Q826 F828 V871 L907 E908 | Y819-P821 HydrophobicContact CD1-CB 4.42Å; Y819-P821 HydrophobicContact CD1-CG 3.88Å; Y819-P821 HydrophobicContact CE1-CB 3.76Å; Y819-P821 HydrophobicContact CE1-CG 3.63Å; Y819-Q826 PolarHBondContact N-O 3.34Å; Y819-Q826 PolarHBondContact O-N 3.33Å; Y819-F828 AromaticContact CD1-CE2 3.86Å; Y819-F828 HydrophobicContact CD1-CE2 3.86Å; Y819-F828 HydrophobicContact CD1-CZ 4.28Å; Y819-F828 HydrophobicContact CG-CE2 4.45Å; Y819-V871 HydrophobicContact CD2-CG1 4.22Å; Y819-L907 HydrophobicContact CD1-CB 3.79Å; Y819-L907 HydrophobicContact CD1-CD1 3.68Å; Y819-L907 HydrophobicContact CD1-CG 4.35Å; Y819-L907 HydrophobicContact CD2-CD1 4.06Å; Y819-L907 HydrophobicContact CE1-CB 3.44Å; Y819-L907 VanDerWaalsContact CE1-CB 3.44Å; Y819-L907 HydrophobicContact CE1-CD1 3.98Å; Y819-L907 HydrophobicContact CE1-CG 4.36Å; Y819-L907 HydrophobicContact CE2-CD1 4.35Å; Y819-L907 HydrophobicContact CG-CD1 3.74Å; Y819-E908 WeakPolarHBondContact OH-CG 3.49Å; Y819-E908 PolarHBondContact OH-OE1 2.91Å |
| 820 | D | 91.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 31 Ų | 31 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -132.2 | 71.5 | -175.8 | -160.9 | -26.2 | 0 | 0 | 0 | 111 | N757 F818 G822 G823 K824 | N757-D820 PolarHBondContact ND2-OD2 2.85Å; F818-D820 HydrophobicContact CE1-CB 3.87Å; F818-D820 HydrophobicContact CZ-CB 3.88Å; D820-G822 PolarHBondContact O-N 2.92Å; D820-G823 WeakPolarHBondContact OD1-CA 3.48Å; D820-G823 PolarHBondContact OD1-N 2.88Å; D820-K824 PolarHBondContact OD1-N 2.9Å | ||
| 821 | P | 82.2 | Confident | 92.2 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 26% | 0.26 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -70.6 | 109.7 | 178.1 | 27.9 | -33.8 | 0 | 0 | 0 | 110.4 | Y819 G823 K824 | Y819-P821 HydrophobicContact CD1-CB 4.42Å; Y819-P821 HydrophobicContact CD1-CG 3.88Å; Y819-P821 HydrophobicContact CE1-CB 3.76Å; Y819-P821 HydrophobicContact CE1-CG 3.63Å; P821-G823 VanDerWaalsContact C-N 3.29Å; P821-G823 PolarHBondContact O-N 2.85Å; P821-K824 WeakPolarHBondContact CD-O 3.35Å; P821-K824 PolarHBondContact O-N 2.98Å |
| 822 | G | 75.9 | Confident | 92.1 | Very high | 89 Ų | 89 | 28.6 Ų | 28.6 | 92% | 0.918 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | 65.6 | 25.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D820 | D820-G822 PolarHBondContact O-N 2.92Š|
| 823 | G | 80.7 | Confident | 92 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 61% | 0.608 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | 88.3 | 17.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D820 P821 P825 | D820-G823 WeakPolarHBondContact OD1-CA 3.48Å; D820-G823 PolarHBondContact OD1-N 2.88Å; P821-G823 VanDerWaalsContact C-N 3.29Å; P821-G823 PolarHBondContact O-N 2.85Å; G823-P825 VanDerWaalsContact O-CD 3.26Å; G823-P825 WeakPolarHBondContact O-CD 3.41Å |
| 824 | K | 86.6 | Confident | 91.7 | Very high | 137 Ų | 137 | 29 Ų | 29 | 60% | 0.596 | 19% | 0.189 | S | C | * | . | trans | -107.6 | 85.5 | 173.2 | -65.7 | -173.8 | 178.9 | -176.8 | 0 | 110.1 | D820 P821 Q826 | D820-K824 PolarHBondContact OD1-N 2.9Å; P821-K824 WeakPolarHBondContact CD-O 3.35Å; P821-K824 PolarHBondContact O-N 2.98Å; K824-Q826 PolarHBondContact O-N 2.85Å | ||
| 825 | P | 92.7 | Very high | 91 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | trans | -65.5 | 126.4 | -176 | 25 | -34.5 | 0 | 0 | 0 | 112.4 | F818 G823 I846 | F818-P825 HydrophobicContact CE2-CB 3.7Å; F818-P825 HydrophobicContact CZ-CB 3.83Å; G823-P825 VanDerWaalsContact O-CD 3.26Å; G823-P825 WeakPolarHBondContact O-CD 3.41Å; P825-I846 HydrophobicContact CB-CB 4.14Å; P825-I846 HydrophobicContact CB-CD1 4.24Å; P825-I846 HydrophobicContact CB-CG2 4.45Å; P825-I846 HydrophobicContact CG-CB 4.2Å; P825-I846 HydrophobicContact CG-CG2 4.39Å; P825-I846 WeakPolarHBondContact O-CB 3.47Å; P825-I846 PolarHBondContact O-N 3.49Å | ||
| 826 | Q | 94.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.8 | -178.5 | -72.5 | 177.8 | -8.4 | 0 | 0 | 111.6 | F818 Y819 K824 F828 I843 L844 | F818-Q826 WeakPolarHBondContact CA-O 3.37Å; F818-Q826 WeakPolarHBondContact CD2-O 3.48Å; Y819-Q826 PolarHBondContact N-O 3.34Å; Y819-Q826 PolarHBondContact O-N 3.33Å; K824-Q826 PolarHBondContact O-N 2.85Å; Q826-F828 HydrophobicContact CB-CD2 4.21Å; Q826-F828 HydrophobicContact CB-CE2 3.77Å; Q826-I843 HydrophobicContact CB-CG2 4.01Å; Q826-I843 HydrophobicContact CG-CG2 4.01Å; Q826-L844 WeakPolarHBondContact CA-O 3.47Å |
| 827 | L | 95 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.9 | 170 | 177.5 | 74.2 | 0 | 0 | 0 | 109 | T754 Y761 A816 I843 L844 I846 W851 | T754-L827 HydrophobicContact CG2-CD1 3.66Å; Y761-L827 HydrophobicContact CG-CD2 4.32Å; A816-L827 HydrophobicContact CB-CD1 4.1Å; L827-I843 WeakPolarHBondContact O-CA 3.3Å; L827-L844 HydrophobicContact CB-CB 4.23Å; L827-L844 HydrophobicContact CD2-CD2 4.28Å; L827-L844 PolarHBondContact N-O 3.05Å; L827-L844 PolarHBondContact O-N 2.75Å; L827-I846 HydrophobicContact CB-CD1 4.17Å; L827-W851 HydrophobicContact CD2-CH2 4.25Å |
| 828 | F | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.7 | 174.4 | -73 | -108 | 0 | 0 | 0 | 109.5 | A816 C817 Y819 Q826 W842 I843 M876 L907 M910 | A816-F828 CarbonylContact C-O 3.54Å; A816-F828 WeakPolarHBondContact CA-O 3.31Å; A816-F828 WeakPolarHBondContact CB-O 3.48Å; C817-F828 PolarHBondContact N-O 3.3Å; C817-F828 PolarHBondContact O-N 2.82Å; Y819-F828 AromaticContact CD1-CE2 3.86Å; Y819-F828 HydrophobicContact CD1-CE2 3.86Å; Y819-F828 HydrophobicContact CD1-CZ 4.28Å; Y819-F828 HydrophobicContact CG-CE2 4.45Å; Q826-F828 HydrophobicContact CB-CD2 4.21Å; Q826-F828 HydrophobicContact CB-CE2 3.77Å; F828-W842 CarbonylContact C-O 3.6Å; F828-W842 WeakPolarHBondContact CA-O 3.44Å; F828-I843 HydrophobicContact CD1-CD1 3.95Å; F828-I843 HydrophobicContact CD1-CG1 3.75Å; F828-I843 HydrophobicContact CE1-CD1 3.35Å; F828-I843 HydrophobicContact CE1-CG1 3.7Å; F828-I843 HydrophobicContact CE2-CD1 4.44Å; F828-I843 HydrophobicContact CG-CG1 4.23Å; F828-I843 HydrophobicContact CZ-CD1 3.63Å; F828-I843 HydrophobicContact CZ-CG1 4.12Å; F828-M876 HydrophobicContact CB-SD 4.29Å; F828-L907 HydrophobicContact CD1-CD2 3.76Å; F828-L907 HydrophobicContact CE1-CD2 3.58Å; F828-L907 HydrophobicContact CG-CD2 4.33Å; F828-L907 HydrophobicContact CZ-CB 4.42Å; F828-L907 HydrophobicContact CZ-CD2 4.03Å; F828-M910 HydrophobicContact CE1-CE 4.1Å; F828-M910 HydrophobicContact CE1-SD 4.15Å |
| 829 | L | 95.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.1 | 174.8 | 178 | 150.2 | 0 | 0 | 0 | 109.1 | F763 H814 S815 A816 V841 W842 W851 | F763-L829 HydrophobicContact CD1-CD1 3.34Å; F763-L829 HydrophobicContact CE1-CD1 3.51Å; F763-L829 HydrophobicContact CG-CD1 4.22Å; F763-L829 HydrophobicContact CZ-CD1 4.5Å; H814-L829 VanDerWaalsContact CD2-CD1 3.49Å; H814-L829 WeakPolarHBondContact CD2-CD1 3.4Å; S815-L829 WeakPolarHBondContact O-CA 3.38Å; A816-L829 HydrophobicContact CB-CB 4.42Å; L829-V841 CarbonylContact O-C 3.54Å; L829-V841 WeakPolarHBondContact O-CA 3.18Å; L829-W842 HydrophobicContact CB-CB 4.37Å; L829-W842 HydrophobicContact CD2-CB 4.39Å; L829-W842 PolarHBondContact N-O 3.06Å; L829-W842 PolarHBondContact O-N 3.03Å; L829-W851 HydrophobicContact CB-CH2 4.17Å; L829-W851 HydrophobicContact CB-CZ3 4.1Å; L829-W851 HydrophobicContact CD1-CH2 4.23Å |
| 830 | Y | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.6 | 176.7 | 171.6 | -101.2 | 0 | 0 | 0 | 112.8 | S815 G839 D840 V841 S861 S862 R864 H867 I878 W912 | S815-Y830 PolarHBondContact N-O 2.93Å; S815-Y830 VanDerWaalsContact N-O 3.12Å; S815-Y830 PolarHBondContact O-N 3.47Å; S815-Y830 PolarHBondContact OG-O 3.17Å; Y830-G839 WeakPolarHBondContact CE2-O 3.41Å; Y830-D840 WeakPolarHBondContact CA-O 3.46Å; Y830-D840 VanDerWaalsContact CD2-O 3.28Å; Y830-D840 WeakPolarHBondContact CD2-O 3.49Å; Y830-V841 HydrophobicContact CD2-CG2 3.73Å; Y830-S861 WeakPolarHBondContact OH-CB 3.14Å; Y830-S861 PolarHBondContact OH-O 2.7Å; Y830-S862 PolarHBondContact OH-O 2.76Å; Y830-R864 HydrophobicContact CE1-CG 3.85Å; Y830-H867 AromaticContact CD1-NE2 3.19Å; Y830-H867 WeakPolarHBondContact CD1-NE2 3.06Å; Y830-H867 AromaticContact CE1-NE2 3.99Å; Y830-H867 PolarHBondContact O-CE1 2.98Å; Y830-H867 PolarHBondContact O-NE2 2.82Å; Y830-I878 HydrophobicContact CD1-CD1 3.55Å; Y830-I878 HydrophobicContact CD1-CG1 4.06Å; Y830-I878 HydrophobicContact CD1-CG2 4.13Å; Y830-I878 HydrophobicContact CD2-CD1 4.48Å; Y830-I878 HydrophobicContact CE1-CD1 3.94Å; Y830-I878 HydrophobicContact CE1-CG1 4.45Å; Y830-I878 HydrophobicContact CE1-CG2 3.78Å; Y830-I878 HydrophobicContact CG-CD1 3.87Å; Y830-W912 HydrophobicContact CD2-CH2 4.15Å; Y830-W912 HydrophobicContact CD2-CZ2 4.32Å; Y830-W912 AromaticContact CE2-CH2 3.87Å; Y830-W912 HydrophobicContact CE2-CH2 3.87Å; Y830-W912 HydrophobicContact CE2-CZ2 4.03Å |
| 831 | G | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.7 | -145.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R811 H814 L838 D840 H867 | R811-G831 PolarHBondContact NH1-O 2.97Å; H814-G831 WeakPolarHBondContact CB-O 3.46Å; G831-L838 VanDerWaalsContact CA-O 3.23Å; G831-L838 WeakPolarHBondContact CA-O 3.31Å; G831-D840 PolarHBondContact N-O 2.85Å; G831-D840 VanDerWaalsContact N-O 3.13Å; G831-H867 WeakPolarHBondContact CA-CE1 3.5Å |
| 832 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | -158.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E812 P837 L838 R864 H867 | E812-G832 CarbonylContact O-C 3.58Å; E812-G832 WeakPolarHBondContact O-CA 3.35Å; G832-P837 CarbonylContact O-C 3.6Å; G832-P837 WeakPolarHBondContact O-CA 3.18Å; G832-L838 PolarHBondContact O-N 3.2Å; G832-R864 PolarHBondContact N-O 3.18Å; G832-R864 VanDerWaalsContact O-O 3.04Å; G832-H867 PolarHBondContact N-CE1 3.43Å |
| 833 | T | 91.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 10% | 0.104 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.3 | 172.1 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | F780 R811 E812 Q836 | F780-T833 HydrophobicContact CE1-CG2 4.46Å; R811-T833 VanDerWaalsContact CA-O 3.24Å; R811-T833 WeakPolarHBondContact CA-O 3.31Å; E812-T833 HydrophobicContact CG-CG2 3.62Å; E812-T833 PolarHBondContact N-O 2.95Å; E812-T833 VanDerWaalsContact N-O 3.12Å; E812-T833 PolarHBondContact O-N 2.99Å; T833-Q836 WeakPolarHBondContact CA-O 3.4Å; T833-Q836 PolarHBondContact OG1-O 2.92Å |
| 834 | S | 87.7 | Confident | 92.2 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 30% | 0.301 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -131.6 | 76.1 | 171.3 | 170.6 | 0 | 0 | 0 | 0 | 106.1 | P810 Q836 | P810-S834 VanDerWaalsContact O-CB 3.25Å; P810-S834 WeakPolarHBondContact O-CB 3.47Å; P810-S834 PolarHBondContact O-OG 2.74Å; S834-Q836 PolarHBondContact N-O 3.4Å; S834-Q836 PolarHBondContact O-N 2.83Å |
| 835 | E | 81.7 | Confident | 92.4 | Very high | 151 Ų | 151 | 26 Ų | 26 | 71% | 0.706 | 14% | 0.14 | S | C | * | . | S | Bend | trans | 60.5 | -41.6 | -159.2 | -55.7 | -176.1 | -171.8 | 0 | 0 | 115.7 | F780 | F780-E835 HydrophobicContact CE2-CG 4.03Š|
| 836 | Q | 86 | Confident | 92.4 | Very high | 74 Ų | 74 | 26.1 Ų | 26.1 | 35% | 0.346 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -111.1 | 150.8 | 170.4 | -60.7 | -48.9 | -55.7 | 0 | 0 | 111.5 | T833 S834 Y896 | T833-Q836 WeakPolarHBondContact CA-O 3.4Å; T833-Q836 PolarHBondContact OG1-O 2.92Å; S834-Q836 PolarHBondContact N-O 3.4Å; S834-Q836 PolarHBondContact O-N 2.83Å; Q836-Y896 PolarHBondContact OE1-OH 2.81Å |
| 837 | P | 89.8 | Confident | 92.1 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 10% | 0.104 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 140.6 | 173.1 | -22.3 | 33.3 | 0 | 0 | 0 | 111.9 | G832 P863 P884 Y896 | G832-P837 CarbonylContact O-C 3.6Å; G832-P837 WeakPolarHBondContact O-CA 3.18Å; P837-P863 HydrophobicContact CB-CB 4.28Å; P837-P863 WeakPolarHBondContact O-CB 3.48Å; P837-P884 HydrophobicContact CG-CG 4.43Å; P837-Y896 HydrophobicContact CG-CD1 3.96Å; P837-Y896 HydrophobicContact CG-CE1 3.53Å |
| 838 | L | 93.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 149.5 | -176.8 | -55.8 | 177.5 | 0 | 0 | 0 | 110.5 | R811 G831 G832 D840 P863 R864 | R811-L838 HydrophobicContact CB-CD1 4.07Å; G831-L838 VanDerWaalsContact CA-O 3.23Å; G831-L838 WeakPolarHBondContact CA-O 3.31Å; G832-L838 PolarHBondContact O-N 3.2Å; L838-D840 WeakPolarHBondContact CB-OD1 3.27Å; L838-P863 CarbonylContact O-C 3.35Å; L838-P863 VanDerWaalsContact O-CA 3.31Å; L838-P863 WeakPolarHBondContact O-CA 3.36Å; L838-R864 PolarHBondContact O-N 2.65Å |
| 839 | G | 91.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 15.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y830 | Y830-G839 WeakPolarHBondContact CE2-O 3.41Å |
| 840 | D | 93.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 153.7 | 179 | 57.2 | -14.9 | 0 | 0 | 0 | 112 | R811 Y830 G831 L838 W842 | R811-D840 IonicContact CZ-OD1 3.31Å; R811-D840 IonicContact CZ-OD2 3.03Å; R811-D840 IonicContact NH1-OD1 2.85Å; R811-D840 PolarHBondContact NH1-OD1 2.81Å; R811-D840 IonicContact NH1-OD2 3.92Å; R811-D840 PolarHBondContact NH1-OD2 3.24Å; R811-D840 IonicContact NH2-OD1 2.7Å; R811-D840 IonicContact NH2-OD2 3.83Å; R811-D840 PolarHBondContact NH2-OD2 2.92Å; Y830-D840 WeakPolarHBondContact CA-O 3.46Å; Y830-D840 VanDerWaalsContact CD2-O 3.28Å; Y830-D840 WeakPolarHBondContact CD2-O 3.49Å; G831-D840 PolarHBondContact N-O 2.85Å; G831-D840 VanDerWaalsContact N-O 3.13Å; L838-D840 WeakPolarHBondContact CB-OD1 3.27Å; D840-W842 PolarHBondContact OD2-NE1 2.98Å |
| 841 | V | 94.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.3 | 169.9 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | L829 Y830 P854 I856 L905 W912 | L829-V841 CarbonylContact O-C 3.54Å; L829-V841 WeakPolarHBondContact O-CA 3.18Å; Y830-V841 HydrophobicContact CD2-CG2 3.73Å; V841-P854 HydrophobicContact CG1-CG 4.13Å; V841-I856 HydrophobicContact CB-CD1 3.6Å; V841-I856 HydrophobicContact CG1-CD1 3.79Å; V841-I856 HydrophobicContact CG2-CD1 3.68Å; V841-L905 HydrophobicContact CG1-CD2 4.33Å; V841-L905 HydrophobicContact CG2-CD2 4.22Å; V841-W912 HydrophobicContact CG2-CZ2 3.98Å |
| 842 | W | 95.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147 | 172.9 | -71.6 | 85.6 | 0 | 0 | 0 | 110.1 | S806 P808 F828 L829 D840 W851 | S806-W842 WeakPolarHBondContact O-CZ3 3.33Å; P808-W842 HydrophobicContact CB-CD2 4.07Å; P808-W842 HydrophobicContact CB-CG 3.96Å; P808-W842 HydrophobicContact CG-CB 3.88Å; P808-W842 HydrophobicContact CG-CD2 3.81Å; P808-W842 HydrophobicContact CG-CE3 4.21Å; P808-W842 HydrophobicContact CG-CG 3.66Å; F828-W842 CarbonylContact C-O 3.6Å; F828-W842 WeakPolarHBondContact CA-O 3.44Å; L829-W842 HydrophobicContact CB-CB 4.37Å; L829-W842 HydrophobicContact CD2-CB 4.39Å; L829-W842 PolarHBondContact N-O 3.06Å; L829-W842 PolarHBondContact O-N 3.03Å; D840-W842 PolarHBondContact OD2-NE1 2.98Å; W842-W851 HydrophobicContact CB-CE3 3.83Å; W842-W851 HydrophobicContact CB-CZ3 3.86Å; W842-W851 HydrophobicContact CE3-CB 4.4Å |
| 843 | I | 94.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.3 | 173.9 | -58.4 | 174.6 | 0 | 0 | 0 | 108.5 | Q826 L827 F828 W851 F852 P854 M910 | Q826-I843 HydrophobicContact CB-CG2 4.01Å; Q826-I843 HydrophobicContact CG-CG2 4.01Å; L827-I843 WeakPolarHBondContact O-CA 3.3Å; F828-I843 HydrophobicContact CD1-CD1 3.95Å; F828-I843 HydrophobicContact CD1-CG1 3.75Å; F828-I843 HydrophobicContact CE1-CD1 3.35Å; F828-I843 HydrophobicContact CE1-CG1 3.7Å; F828-I843 HydrophobicContact CE2-CD1 4.44Å; F828-I843 HydrophobicContact CG-CG1 4.23Å; F828-I843 HydrophobicContact CZ-CD1 3.63Å; F828-I843 HydrophobicContact CZ-CG1 4.12Å; I843-W851 CarbonylContact O-C 3.59Å; I843-W851 WeakPolarHBondContact O-CA 3.5Å; I843-F852 HydrophobicContact CB-CD1 4.23Å; I843-F852 HydrophobicContact CB-CE1 3.7Å; I843-F852 HydrophobicContact CB-CE2 4.04Å; I843-F852 HydrophobicContact CB-CZ 3.6Å; I843-F852 HydrophobicContact CD1-CE2 3.93Å; I843-F852 HydrophobicContact CD1-CZ 3.87Å; I843-F852 HydrophobicContact CG1-CE2 4.45Å; I843-F852 HydrophobicContact CG1-CZ 4.31Å; I843-F852 HydrophobicContact CG2-CD1 4.49Å; I843-F852 HydrophobicContact CG2-CE1 3.6Å; I843-F852 HydrophobicContact CG2-CZ 3.61Å; I843-F852 PolarHBondContact N-O 3.37Å; I843-F852 WeakPolarHBondContact O-CD1 3.47Å; I843-F852 PolarHBondContact O-N 3.33Å; I843-P854 HydrophobicContact CD1-CB 4.04Å; I843-P854 HydrophobicContact CD1-CG 3.81Å; I843-P854 HydrophobicContact CG1-CG 4.1Å; I843-M910 HydrophobicContact CD1-CE 3.65Å |
| 844 | L | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.5 | 162.2 | 173 | 69.3 | 0 | 0 | 0 | 107.7 | L784 Q826 L827 I846 M849 W851 | L784-L844 HydrophobicContact CD1-CD2 4.4Å; L784-L844 HydrophobicContact CD2-CD2 3.55Å; Q826-L844 WeakPolarHBondContact CA-O 3.47Å; L827-L844 HydrophobicContact CB-CB 4.23Å; L827-L844 HydrophobicContact CD2-CD2 4.28Å; L827-L844 PolarHBondContact N-O 3.05Å; L827-L844 PolarHBondContact O-N 2.75Å; L844-I846 HydrophobicContact CD2-CG1 4.37Å; L844-I846 HydrophobicContact CG-CG1 4.38Å; L844-I846 PolarHBondContact O-N 3.18Å; L844-M849 HydrophobicContact CD1-CE 4.5Å; L844-M849 HydrophobicContact CD2-CE 4.12Å; L844-W851 HydrophobicContact CB-CD2 3.76Å; L844-W851 HydrophobicContact CB-CE3 3.68Å; L844-W851 HydrophobicContact CB-CG 4.49Å; L844-W851 HydrophobicContact CB-CH2 3.87Å; L844-W851 HydrophobicContact CB-CZ2 3.97Å; L844-W851 HydrophobicContact CB-CZ3 3.73Å; L844-W851 HydrophobicContact CD1-CD2 4.29Å; L844-W851 HydrophobicContact CD1-CG 4.26Å; L844-W851 HydrophobicContact CD2-CZ2 4.3Å; L844-W851 VanDerWaalsContact N-CE3 3.35Å |
| 845 | D | 91.5 | Very high | 91.3 | Very high | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116 | 163.6 | -172.9 | -35.3 | 0 | 0 | 0 | 107.8 | S847 M849 S850 F852 | D845-S847 PolarHBondContact O-N 3.14Å; D845-S847 WeakPolarHBondContact OD1-CA 3.25Å; D845-S847 WeakPolarHBondContact OD1-CB 3.23Å; D845-S847 PolarHBondContact OD1-N 3Å; D845-S847 PolarHBondContact OD1-OG 2.88Å; D845-M849 VanDerWaalsContact O-CA 3.24Å; D845-M849 WeakPolarHBondContact O-CA 3.42Å; D845-M849 PolarHBondContact O-N 2.94Å; D845-S850 PolarHBondContact N-O 3.32Å; D845-S850 VanDerWaalsContact N-O 3.08Å; D845-S850 PolarHBondContact O-N 2.75Å; D845-F852 HydrophobicContact CB-CE1 4.39Å |
| 846 | I | 92.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 44 Ų | 44 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16.5 | -174.9 | -66.3 | 163.6 | 0 | 0 | 0 | 111.1 | Y761 F818 P825 L827 L844 M849 | Y761-I846 HydrophobicContact CE1-CD1 4.25Å; Y761-I846 HydrophobicContact CE1-CG1 4.28Å; Y761-I846 HydrophobicContact CE1-CG2 4.21Å; Y761-I846 HydrophobicContact CE2-CD1 4.05Å; Y761-I846 WeakPolarHBondContact OH-CG2 3.44Å; F818-I846 HydrophobicContact CD2-CD1 3.81Å; F818-I846 HydrophobicContact CE2-CD1 3.65Å; P825-I846 HydrophobicContact CB-CB 4.14Å; P825-I846 HydrophobicContact CB-CD1 4.24Å; P825-I846 HydrophobicContact CB-CG2 4.45Å; P825-I846 HydrophobicContact CG-CB 4.2Å; P825-I846 HydrophobicContact CG-CG2 4.39Å; P825-I846 WeakPolarHBondContact O-CB 3.47Å; P825-I846 PolarHBondContact O-N 3.49Å; L827-I846 HydrophobicContact CB-CD1 4.17Å; L844-I846 HydrophobicContact CD2-CG1 4.37Å; L844-I846 HydrophobicContact CG-CG1 4.38Å; L844-I846 PolarHBondContact O-N 3.18Å; I846-M849 HydrophobicContact CG2-SD 4.32Å; I846-M849 VanDerWaalsContact O-SD 3.39Å |
| 847 | S | 88.3 | Confident | 92 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 59% | 0.594 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -38.5 | 178.9 | -26.5 | 0 | 0 | 0 | 0 | 111.7 | D845 | D845-S847 PolarHBondContact O-N 3.14Å; D845-S847 WeakPolarHBondContact OD1-CA 3.25Å; D845-S847 WeakPolarHBondContact OD1-CB 3.23Å; D845-S847 PolarHBondContact OD1-N 3Å; D845-S847 PolarHBondContact OD1-OG 2.88Å |
| 848 | C | 88.7 | Confident | 91.8 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -5.6 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | S850 | C848-S850 VanDerWaalsContact C-N 3.27Å; C848-S850 PolarHBondContact O-N 3.35Å |
| 849 | M | 90.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 16% | 0.163 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 36.1 | -176.9 | -57.9 | -59.6 | -63 | 0 | 0 | 113.9 | L784 P801 I803 L804 L844 D845 I846 | L784-M849 HydrophobicContact CD2-CE 3.61Å; P801-M849 HydrophobicContact CB-CE 3.85Å; P801-M849 HydrophobicContact CG-CE 3.53Å; I803-M849 WeakPolarHBondContact CA-O 3.48Å; I803-M849 HydrophobicContact CD1-CE 4.21Å; L804-M849 PolarHBondContact N-O 2.99Å; L844-M849 HydrophobicContact CD1-CE 4.5Å; L844-M849 HydrophobicContact CD2-CE 4.12Å; D845-M849 VanDerWaalsContact O-CA 3.24Å; D845-M849 WeakPolarHBondContact O-CA 3.42Å; D845-M849 PolarHBondContact O-N 2.94Å; I846-M849 HydrophobicContact CG2-SD 4.32Å; I846-M849 VanDerWaalsContact O-SD 3.39Å |
| 850 | S | 91.9 | Very high | 90.6 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.1 | 175 | -164.1 | 0 | 0 | 0 | 0 | 111.5 | L804 D845 C848 | L804-S850 WeakPolarHBondContact O-CA 3.41Å; L804-S850 PolarHBondContact O-OG 3.43Å; D845-S850 PolarHBondContact N-O 3.32Å; D845-S850 VanDerWaalsContact N-O 3.08Å; D845-S850 PolarHBondContact O-N 2.75Å; C848-S850 VanDerWaalsContact C-N 3.27Å; C848-S850 PolarHBondContact O-N 3.35Å |
| 851 | W | 94.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 148.2 | 166.4 | -76 | 106.7 | 0 | 0 | 0 | 110.7 | F763 L784 L804 S806 P808 L827 L829 W842 I843 L844 | F763-W851 AromaticContact CD2-CZ2 3.75Å; F763-W851 HydrophobicContact CD2-CZ2 3.75Å; F763-W851 AromaticContact CE2-CZ2 3.79Å; F763-W851 HydrophobicContact CE2-CZ2 3.79Å; F763-W851 HydrophobicContact CG-CZ2 4.28Å; F763-W851 HydrophobicContact CZ-CZ2 4.36Å; L784-W851 HydrophobicContact CD1-CZ2 4.5Å; L804-W851 PolarHBondContact O-N 3.29Å; L804-W851 VanDerWaalsContact O-N 3.16Å; S806-W851 WeakPolarHBondContact O-CB 3.42Å; P808-W851 HydrophobicContact CG-CD2 3.87Å; P808-W851 HydrophobicContact CG-CE3 3.85Å; P808-W851 HydrophobicContact CG-CG 4.43Å; P808-W851 HydrophobicContact CG-CH2 4.3Å; P808-W851 HydrophobicContact CG-CZ2 4.29Å; P808-W851 HydrophobicContact CG-CZ3 4.08Å; L827-W851 HydrophobicContact CD2-CH2 4.25Å; L829-W851 HydrophobicContact CB-CH2 4.17Å; L829-W851 HydrophobicContact CB-CZ3 4.1Å; L829-W851 HydrophobicContact CD1-CH2 4.23Å; W842-W851 HydrophobicContact CB-CE3 3.83Å; W842-W851 HydrophobicContact CB-CZ3 3.86Å; W842-W851 HydrophobicContact CE3-CB 4.4Å; I843-W851 CarbonylContact O-C 3.59Å; I843-W851 WeakPolarHBondContact O-CA 3.5Å; L844-W851 HydrophobicContact CB-CD2 3.76Å; L844-W851 HydrophobicContact CB-CE3 3.68Å; L844-W851 HydrophobicContact CB-CG 4.49Å; L844-W851 HydrophobicContact CB-CH2 3.87Å; L844-W851 HydrophobicContact CB-CZ2 3.97Å; L844-W851 HydrophobicContact CB-CZ3 3.73Å; L844-W851 HydrophobicContact CD1-CD2 4.29Å; L844-W851 HydrophobicContact CD1-CG 4.26Å; L844-W851 HydrophobicContact CD2-CZ2 4.3Å; L844-W851 VanDerWaalsContact N-CE3 3.35Å |
| 852 | F | 92.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 154.7 | 167 | 64.1 | -80.8 | 0 | 0 | 0 | 111.5 | I843 D845 P854 | I843-F852 HydrophobicContact CB-CD1 4.23Å; I843-F852 HydrophobicContact CB-CE1 3.7Å; I843-F852 HydrophobicContact CB-CE2 4.04Å; I843-F852 HydrophobicContact CB-CZ 3.6Å; I843-F852 HydrophobicContact CD1-CE2 3.93Å; I843-F852 HydrophobicContact CD1-CZ 3.87Å; I843-F852 HydrophobicContact CG1-CE2 4.45Å; I843-F852 HydrophobicContact CG1-CZ 4.31Å; I843-F852 HydrophobicContact CG2-CD1 4.49Å; I843-F852 HydrophobicContact CG2-CE1 3.6Å; I843-F852 HydrophobicContact CG2-CZ 3.61Å; I843-F852 PolarHBondContact N-O 3.37Å; I843-F852 WeakPolarHBondContact O-CD1 3.47Å; I843-F852 PolarHBondContact O-N 3.33Å; D845-F852 HydrophobicContact CB-CE1 4.39Å; F852-P854 HydrophobicContact CD2-CB 4.38Å; F852-P854 HydrophobicContact CE2-CB 4.11Å |
| 853 | S | 91.8 | Very high | 89.1 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | trans | -93.5 | 113.4 | 166.3 | -179.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 854 | P | 90.9 | Very high | 89 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | trans | -70.8 | 152.6 | 177.4 | 30.3 | -36.8 | 0 | 0 | 0 | 112 | V841 I843 F852 I856 M910 | V841-P854 HydrophobicContact CG1-CG 4.13Å; I843-P854 HydrophobicContact CD1-CB 4.04Å; I843-P854 HydrophobicContact CD1-CG 3.81Å; I843-P854 HydrophobicContact CG1-CG 4.1Å; F852-P854 HydrophobicContact CD2-CB 4.38Å; F852-P854 HydrophobicContact CE2-CB 4.11Å; P854-I856 HydrophobicContact CB-CG1 4.29Å; P854-I856 HydrophobicContact CG-CD1 3.86Å; P854-I856 HydrophobicContact CG-CG1 3.99Å; P854-M910 HydrophobicContact CB-CE 3.42Å; P854-M910 VanDerWaalsContact CB-CE 3.42Å; P854-M910 HydrophobicContact CG-CE 3.51Å | ||
| 855 | Q | 89.6 | Confident | 89 | Confident | 182 Ų | 182 | 53.9 Ų | 53.9 | 85% | 0.85 | 33% | 0.33 | S | S | * | . | trans | -72.3 | 128.1 | 161 | -64.5 | -61 | -29.8 | 0 | 0 | 108.8 | ||||
| 856 | I | 91.2 | Very high | 89.1 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | trans | -129.2 | 133.4 | -178.2 | -63.3 | 178.3 | 0 | 0 | 0 | 109.7 | V841 P854 L905 M910 W912 | V841-I856 HydrophobicContact CB-CD1 3.6Å; V841-I856 HydrophobicContact CG1-CD1 3.79Å; V841-I856 HydrophobicContact CG2-CD1 3.68Å; P854-I856 HydrophobicContact CB-CG1 4.29Å; P854-I856 HydrophobicContact CG-CD1 3.86Å; P854-I856 HydrophobicContact CG-CG1 3.99Å; I856-L905 HydrophobicContact CD1-CD1 4.24Å; I856-L905 HydrophobicContact CD1-CD2 4.17Å; I856-L905 HydrophobicContact CG2-CD1 3.78Å; I856-M910 WeakPolarHBondContact CA-O 3.44Å; I856-M910 HydrophobicContact CD1-CE 4.07Å; I856-M910 HydrophobicContact CG1-CE 3.91Å; I856-M910 WeakPolarHBondContact CG2-O 3.27Å; I856-W912 HydrophobicContact CG2-CG 4.29Å | ||
| 857 | S | 91.4 | Very high | 89.2 | Confident | 60 Ų | 60 | 54 Ų | 54 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 164.3 | 178.1 | 64.9 | 0 | 0 | 0 | 0 | 113 | M910 R911 W912 | S857-M910 PolarHBondContact N-O 2.9Å; S857-M910 PolarHBondContact OG-O 3.3Å; S857-R911 CarbonylContact O-C 3.6Å; S857-R911 WeakPolarHBondContact O-CA 3.45Å; S857-R911 WeakPolarHBondContact OG-CB 3.3Å; S857-R911 VanDerWaalsContact OG-CG 3.32Å; S857-R911 WeakPolarHBondContact OG-CG 3.41Å; S857-W912 PolarHBondContact O-N 3.13Å |
| 858 | G | 86.1 | Confident | 89.4 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 85.3 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P860 | G858-P860 WeakPolarHBondContact O-CD 3.35Š|
| 859 | V | 82.4 | Confident | 89.7 | Confident | 128 Ų | 128 | 48 Ų | 48 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 116.7 | -175.1 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | W912 | V859-W912 WeakPolarHBondContact O-CB 3.08Š|
| 860 | P | 76.7 | Confident | 89.8 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 148.1 | -177.2 | 28.7 | -35.1 | 0 | 0 | 0 | 112.7 | G858 | G858-P860 WeakPolarHBondContact O-CD 3.35Š|
| 861 | S | 76.9 | Confident | 89.9 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 133.7 | 173.2 | -166.8 | 0 | 0 | 0 | 0 | 110.5 | Y830 R864 T903 | Y830-S861 WeakPolarHBondContact OH-CB 3.14Å; Y830-S861 PolarHBondContact OH-O 2.7Å; S861-R864 VanDerWaalsContact OG-CZ 3.31Å; S861-R864 PolarHBondContact OG-NH2 2.77Å; S861-T903 WeakPolarHBondContact CB-OG1 3.3Å; S861-T903 WeakPolarHBondContact OG-CB 3.44Å; S861-T903 VanDerWaalsContact OG-CG2 3.3Å; S861-T903 WeakPolarHBondContact OG-CG2 3.44Å; S861-T903 PolarHBondContact OG-OG1 3.24Å |
| 862 | S | 83.9 | Confident | 89.6 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -55 | 142.9 | -173.4 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | Y830 R864 V883 | Y830-S862 PolarHBondContact OH-O 2.76Å; S862-R864 PolarHBondContact O-N 2.84Å; S862-R864 PolarHBondContact O-NE 2.84Å; S862-R864 PolarHBondContact O-NH2 2.86Å; S862-R864 PolarHBondContact OG-NH2 2.87Å; S862-V883 WeakPolarHBondContact OG-CG1 3.35Å |
| 863 | P | 91 | Very high | 89.4 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 129.9 | -179.1 | -27.8 | 35 | 0 | 0 | 0 | 112.9 | P837 L838 P884 | P837-P863 HydrophobicContact CB-CB 4.28Å; P837-P863 WeakPolarHBondContact O-CB 3.48Å; L838-P863 CarbonylContact O-C 3.35Å; L838-P863 VanDerWaalsContact O-CA 3.31Å; L838-P863 WeakPolarHBondContact O-CA 3.36Å; P863-P884 WeakPolarHBondContact O-CD 3.5Å |
| 864 | R | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -156.1 | 156.5 | -167.4 | 65.6 | -177.4 | 71.8 | -150.5 | 2 | 115.4 | Y830 G832 L838 S861 S862 H867 G880 W882 V883 T901 | Y830-R864 HydrophobicContact CE1-CG 3.85Å; G832-R864 PolarHBondContact N-O 3.18Å; G832-R864 VanDerWaalsContact O-O 3.04Å; L838-R864 PolarHBondContact O-N 2.65Å; S861-R864 VanDerWaalsContact OG-CZ 3.31Å; S861-R864 PolarHBondContact OG-NH2 2.77Å; S862-R864 PolarHBondContact O-N 2.84Å; S862-R864 PolarHBondContact O-NE 2.84Å; S862-R864 PolarHBondContact O-NH2 2.86Å; S862-R864 PolarHBondContact OG-NH2 2.87Å; R864-H867 HydrophobicContact CG-CB 4.26Å; R864-H867 PolarHBondContact O-CE1 3.07Å; R864-G880 PolarHBondContact NH1-O 2.65Å; R864-W882 WeakPolarHBondContact CA-O 3.42Å; R864-W882 WeakPolarHBondContact CB-O 3.45Å; R864-V883 HydrophobicContact CB-CG1 3.94Å; R864-T901 PolarHBondContact NH1-OG1 3.49Å; R864-T901 PolarHBondContact NH2-OG1 3.11Å |
| 865 | T | 93.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -137.3 | 155.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | S813 H867 G881 W882 | S813-T865 WeakPolarHBondContact CB-OG1 3.26Å; S813-T865 PolarHBondContact O-OG1 2.83Å; T865-H867 PolarHBondContact O-N 2.83Å; T865-G881 CarbonylContact O-C 3.59Å; T865-G881 WeakPolarHBondContact O-CA 3.49Å; T865-W882 HydrophobicContact CG2-CB 3.98Å; T865-W882 PolarHBondContact N-O 2.75Å; T865-W882 PolarHBondContact O-N 2.99Å |
| 866 | M | 93 | Very high | 89.4 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 58.2 | 29.9 | -176 | -51 | -177.1 | 73.7 | 0 | 0 | 114.2 | S603 S813 A929 G930 | S603-M866 VanDerWaalsContact OG-CE 3.32Å; S603-M866 WeakPolarHBondContact OG-CE 3.17Å; S813-M866 PolarHBondContact O-N 2.81Å; M866-A929 HydrophobicContact CB-CB 4.28Å; M866-G930 PolarHBondContact O-N 3.29Å |
| 867 | H | 94.1 | Very high | 89.4 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | trans | -87 | 170.5 | 170 | 61.4 | -78.4 | 0 | 0 | 0 | 111.3 | H814 S815 Y830 G831 G832 R864 T865 G880 H931 | H814-H867 WeakPolarHBondContact CA-CE1 3.46Å; S815-H867 WeakPolarHBondContact CA-NE2 3.2Å; S815-H867 WeakPolarHBondContact CB-NE2 3.43Å; S815-H867 PolarHBondContact N-NE2 3.27Å; S815-H867 PolarHBondContact OG-NE2 2.87Å; Y830-H867 AromaticContact CD1-NE2 3.19Å; Y830-H867 WeakPolarHBondContact CD1-NE2 3.06Å; Y830-H867 AromaticContact CE1-NE2 3.99Å; Y830-H867 PolarHBondContact O-CE1 2.98Å; Y830-H867 PolarHBondContact O-NE2 2.82Å; G831-H867 WeakPolarHBondContact CA-CE1 3.5Å; G832-H867 PolarHBondContact N-CE1 3.43Å; R864-H867 HydrophobicContact CG-CB 4.26Å; R864-H867 PolarHBondContact O-CE1 3.07Å; T865-H867 PolarHBondContact O-N 2.83Å; H867-G880 WeakPolarHBondContact CB-O 3.41Å; H867-H931 VanDerWaalsContact CA-CE1 3.46Å; H867-H931 WeakPolarHBondContact CA-CE1 3.3Å | ||
| 868 | S | 94.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 149.9 | 169.3 | 64.5 | 0 | 0 | 0 | 0 | 111 | I878 F879 H931 A933 | S868-I878 WeakPolarHBondContact O-CA 3.21Å; S868-F879 PolarHBondContact N-O 2.85Å; S868-F879 VanDerWaalsContact N-O 3.11Å; S868-F879 PolarHBondContact O-N 2.81Å; S868-H931 WeakPolarHBondContact CA-NE2 3.26Å; S868-H931 WeakPolarHBondContact CB-NE2 3.27Å; S868-H931 PolarHBondContact N-NE2 2.99Å; S868-H931 PolarHBondContact OG-CD2 3.14Å; S868-H931 PolarHBondContact OG-NE2 2.89Å; S868-A933 VanDerWaalsContact OG-CB 3.31Å; S868-A933 WeakPolarHBondContact OG-CB 3.41Å |
| 869 | A | 94 | Very high | 89.7 | Confident | 14 Ų | 14 | 33 Ų | 33 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S815 M876 Y877 I878 | S815-A869 WeakPolarHBondContact OG-CB 3.41Å; A869-M876 HydrophobicContact CB-CE 3.51Å; A869-M876 HydrophobicContact CB-CG 4.4Å; A869-Y877 CarbonylContact C-O 3.53Å; A869-Y877 WeakPolarHBondContact CA-O 3.36Å; A869-I878 HydrophobicContact CB-CG1 3.71Å |
| 870 | N | 93.1 | Very high | 90.1 | Very high | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.1 | 174.4 | -56.1 | 116.5 | 0 | 0 | 0 | 110 | Y877 A933 A935 M940 | N870-Y877 PolarHBondContact N-O 3.37Å; N870-Y877 PolarHBondContact O-N 3Å; N870-A933 PolarHBondContact ND2-O 3.11Å; N870-A933 VanDerWaalsContact OD1-C 3.27Å; N870-A933 VanDerWaalsContact OD1-CB 3.32Å; N870-A933 WeakPolarHBondContact OD1-CB 3.07Å; N870-A933 PolarHBondContact OD1-O 3.03Å; N870-A935 HydrophobicContact CB-CB 4.13Å; N870-M940 HydrophobicContact CB-SD 4.26Å; N870-M940 WeakPolarHBondContact OD1-CG 3.49Å; N870-M940 PolarHBondContact OD1-SD 2.97Å |
| 871 | V | 93.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 22.9 Ų | 22.9 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.4 | 171.9 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | C817 Y819 G873 K875 M876 L907 | C817-V871 HydrophobicContact CB-CG2 3.61Å; Y819-V871 HydrophobicContact CD2-CG1 4.22Å; V871-G873 WeakPolarHBondContact CG1-O 3.25Å; V871-K875 WeakPolarHBondContact CA-O 3.41Å; V871-M876 HydrophobicContact CG2-CB 4.1Å; V871-M876 HydrophobicContact CG2-CG 4.33Å; V871-L907 HydrophobicContact CG1-CD1 3.91Å; V871-L907 HydrophobicContact CG2-CD1 3.96Å |
| 872 | I | 89.2 | Confident | 91.4 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 114 | 174.5 | -60.5 | 179.3 | 0 | 0 | 0 | 107.4 | N874 K875 Y877 A935 M940 T967 | I872-N874 PolarHBondContact O-N 3.02Å; I872-K875 PolarHBondContact N-O 3.23Å; I872-K875 PolarHBondContact O-N 3.18Å; I872-Y877 HydrophobicContact CB-CD2 4.25Å; I872-Y877 HydrophobicContact CB-CE2 4.07Å; I872-A935 HydrophobicContact CD1-CB 3.88Å; I872-A935 HydrophobicContact CG1-CB 3.73Å; I872-M940 HydrophobicContact CD1-CB 3.93Å; I872-T967 HydrophobicContact CB-CG2 4.42Å; I872-T967 HydrophobicContact CD1-CG2 3.94Å; I872-T967 HydrophobicContact CG2-CG2 4.2Å; I872-T967 WeakPolarHBondContact CG2-OG1 3.38Å |
| 873 | G | 87.6 | Confident | 91.7 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 65% | 0.649 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -130.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V871 K875 | V871-G873 WeakPolarHBondContact CG1-O 3.25Å; G873-K875 VanDerWaalsContact C-N 3.34Å |
| 874 | N | 89.9 | Confident | 91.4 | Very high | 48 Ų | 48 | 21.6 Ų | 21.6 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 17.6 | 177.3 | 61.4 | -10.5 | 0 | 0 | 0 | 113.9 | I872 L907 E908 | I872-N874 PolarHBondContact O-N 3.02Å; N874-L907 WeakPolarHBondContact O-CB 3.41Å; N874-L907 PolarHBondContact O-N 2.72Å; N874-E908 HydrophobicContact CB-CG 3.97Å; N874-E908 VanDerWaalsContact CB-OE1 3.27Å; N874-E908 WeakPolarHBondContact CB-OE1 3.23Å; N874-E908 PolarHBondContact ND2-OE2 2.67Å |
| 875 | K | 90.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 20% | 0.2 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.5 | -171.7 | -69 | 178.7 | -170.1 | -162 | 0 | 112.7 | V871 I872 G873 Y877 L905 E913 | V871-K875 WeakPolarHBondContact CA-O 3.41Å; I872-K875 PolarHBondContact N-O 3.23Å; I872-K875 PolarHBondContact O-N 3.18Å; G873-K875 VanDerWaalsContact C-N 3.34Å; K875-Y877 HydrophobicContact CB-CD2 4.33Å; K875-Y877 HydrophobicContact CB-CE2 3.63Å; K875-L905 WeakPolarHBondContact CA-O 3.37Å; K875-E913 VanDerWaalsContact CE-OE1 3.24Å; K875-E913 WeakPolarHBondContact CE-OE1 3.41Å; K875-E913 IonicContact NZ-OE1 2.63Å; K875-E913 PolarHBondContact NZ-OE1 2.68Å; K875-E913 IonicContact NZ-OE2 2.96Å; K875-E913 PolarHBondContact NZ-OE2 2.57Å |
| 876 | M | 93.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.7 | 171.7 | -179.3 | 176 | 178.5 | 0 | 0 | 109.5 | F828 A869 V871 I878 C904 L905 L907 | F828-M876 HydrophobicContact CB-SD 4.29Å; A869-M876 HydrophobicContact CB-CE 3.51Å; A869-M876 HydrophobicContact CB-CG 4.4Å; V871-M876 HydrophobicContact CG2-CB 4.1Å; V871-M876 HydrophobicContact CG2-CG 4.33Å; M876-I878 HydrophobicContact CE-CD1 4.24Å; M876-I878 HydrophobicContact CE-CG1 4.23Å; M876-I878 HydrophobicContact CG-CD1 4.44Å; M876-I878 HydrophobicContact CG-CG1 4.37Å; M876-C904 WeakPolarHBondContact O-CA 3.29Å; M876-L905 HydrophobicContact CB-CB 4.44Å; M876-L905 PolarHBondContact N-O 2.86Å; M876-L905 PolarHBondContact O-N 3.08Å; M876-L907 HydrophobicContact CB-CD1 4.3Å; M876-L907 HydrophobicContact CB-CD2 3.88Å; M876-L907 HydrophobicContact CB-CG 4.32Å |
| 877 | Y | 91.3 | Very high | 87.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.6 | 176.4 | -66.7 | -92.8 | 0 | 0 | 0 | 109.4 | A869 N870 I872 K875 C904 L915 L965 T967 | A869-Y877 CarbonylContact C-O 3.53Å; A869-Y877 WeakPolarHBondContact CA-O 3.36Å; N870-Y877 PolarHBondContact N-O 3.37Å; N870-Y877 PolarHBondContact O-N 3Å; I872-Y877 HydrophobicContact CB-CD2 4.25Å; I872-Y877 HydrophobicContact CB-CE2 4.07Å; K875-Y877 HydrophobicContact CB-CD2 4.33Å; K875-Y877 HydrophobicContact CB-CE2 3.63Å; Y877-C904 HydrophobicContact CD1-CB 4.36Å; Y877-C904 HydrophobicContact CE1-CB 4.31Å; Y877-L915 HydrophobicContact CD1-CD1 4.5Å; Y877-L915 HydrophobicContact CE1-CD1 4.41Å; Y877-L915 HydrophobicContact CE1-CD2 4.32Å; Y877-L965 HydrophobicContact CD1-CD2 4.02Å; Y877-L965 HydrophobicContact CE1-CD2 4.29Å; Y877-T967 HydrophobicContact CD2-CG2 4.3Å; Y877-T967 HydrophobicContact CE1-CG2 4.02Å; Y877-T967 HydrophobicContact CE2-CG2 3.67Å |
| 878 | I | 92.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.7 | -178.6 | -71 | 152.6 | 0 | 0 | 0 | 108.5 | Y830 S868 A869 M876 L902 T903 W912 | Y830-I878 HydrophobicContact CD1-CD1 3.55Å; Y830-I878 HydrophobicContact CD1-CG1 4.06Å; Y830-I878 HydrophobicContact CD1-CG2 4.13Å; Y830-I878 HydrophobicContact CD2-CD1 4.48Å; Y830-I878 HydrophobicContact CE1-CD1 3.94Å; Y830-I878 HydrophobicContact CE1-CG1 4.45Å; Y830-I878 HydrophobicContact CE1-CG2 3.78Å; Y830-I878 HydrophobicContact CG-CD1 3.87Å; S868-I878 WeakPolarHBondContact O-CA 3.21Å; A869-I878 HydrophobicContact CB-CG1 3.71Å; M876-I878 HydrophobicContact CE-CD1 4.24Å; M876-I878 HydrophobicContact CE-CG1 4.23Å; M876-I878 HydrophobicContact CG-CD1 4.44Å; M876-I878 HydrophobicContact CG-CG1 4.37Å; I878-L902 WeakPolarHBondContact O-CA 3.5Å; I878-T903 PolarHBondContact N-O 3.48Å; I878-T903 PolarHBondContact O-N 2.83Å; I878-T903 PolarHBondContact O-OG1 3.44Å; I878-W912 HydrophobicContact CD1-CH2 3.68Å; I878-W912 HydrophobicContact CD1-CZ3 3.83Å |
| 879 | F | 91.5 | Very high | 82.6 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.1 | -176.3 | -175.8 | -101.9 | 0 | 0 | 0 | 113.9 | S868 N900 T901 L902 P925 R928 H931 M940 I942 | S868-F879 PolarHBondContact N-O 2.85Å; S868-F879 VanDerWaalsContact N-O 3.11Å; S868-F879 PolarHBondContact O-N 2.81Å; F879-N900 VanDerWaalsContact CE2-O 3.26Å; F879-N900 WeakPolarHBondContact CE2-O 3.48Å; F879-T901 WeakPolarHBondContact CA-O 3.36Å; F879-L902 HydrophobicContact CB-CD1 4.05Å; F879-L902 HydrophobicContact CD2-CB 3.98Å; F879-L902 HydrophobicContact CD2-CD1 4.06Å; F879-L902 HydrophobicContact CG-CD1 4.5Å; F879-P925 HydrophobicContact CE1-CB 4.41Å; F879-P925 HydrophobicContact CE2-CG 4.31Å; F879-P925 HydrophobicContact CZ-CB 3.85Å; F879-P925 HydrophobicContact CZ-CG 3.87Å; F879-R928 HydrophobicContact CE1-CG 4Å; F879-H931 VanDerWaalsContact C-CE1 3.5Å; F879-H931 AromaticContact CD1-NE2 3.51Å; F879-H931 PolarHBondContact O-CE1 2.85Å; F879-H931 PolarHBondContact O-NE2 3.08Å; F879-M940 HydrophobicContact CB-CE 4.35Å; F879-I942 HydrophobicContact CD1-CD1 3.62Å; F879-I942 HydrophobicContact CD1-CG1 4.25Å; F879-I942 HydrophobicContact CD1-CG2 4.24Å; F879-I942 HydrophobicContact CD2-CD1 4.34Å; F879-I942 HydrophobicContact CE1-CD1 3.91Å; F879-I942 HydrophobicContact CE1-CG2 4.19Å; F879-I942 HydrophobicContact CG-CD1 3.87Å; F879-I942 HydrophobicContact CZ-CD1 4.39Å |
| 880 | G | 90 | Very high | 80.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 66.4 | -148.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R864 H867 A899 T901 H931 | R864-G880 PolarHBondContact NH1-O 2.65Å; H867-G880 WeakPolarHBondContact CB-O 3.41Å; G880-A899 WeakPolarHBondContact CA-O 3.28Å; G880-T901 PolarHBondContact N-O 3.07Å; G880-T901 VanDerWaalsContact N-O 3.09Å; G880-H931 WeakPolarHBondContact CA-CE1 3.39Å | ||
| 881 | G | 91.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | 95 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T865 C898 A899 R928 H931 | T865-G881 CarbonylContact O-C 3.59Å; T865-G881 WeakPolarHBondContact O-CA 3.49Å; G881-C898 CarbonylContact O-C 3.48Å; G881-A899 PolarHBondContact O-N 2.91Å; G881-R928 PolarHBondContact N-O 3.36Å; G881-H931 PolarHBondContact N-CE1 2.88Å | ||
| 882 | W | 89.5 | Confident | 75.8 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132 | 169.9 | -66.3 | 106.9 | 0 | 0 | 0 | 110.3 | R864 T865 Y896 C898 A929 G948 R950 | R864-W882 WeakPolarHBondContact CA-O 3.42Å; R864-W882 WeakPolarHBondContact CB-O 3.45Å; T865-W882 HydrophobicContact CG2-CB 3.98Å; T865-W882 PolarHBondContact N-O 2.75Å; T865-W882 PolarHBondContact O-N 2.99Å; W882-Y896 VanDerWaalsContact CE3-O 3.29Å; W882-Y896 WeakPolarHBondContact CZ3-O 3.18Å; W882-C898 VanDerWaalsContact CH2-SG 3.54Å; W882-C898 VanDerWaalsContact CZ3-SG 3.55Å; W882-A929 VanDerWaalsContact CD1-CB 3.48Å; W882-A929 HydrophobicContact CD2-CB 4.01Å; W882-A929 HydrophobicContact CG-CB 3.88Å; W882-A929 HydrophobicContact CZ2-CB 4.36Å; W882-A929 VanDerWaalsContact NE1-CB 3.34Å; W882-G948 WeakPolarHBondContact CH2-O 3.46Å; W882-G948 WeakPolarHBondContact CZ3-O 3.4Å; W882-R950 HydrophobicContact CE3-CB 4.46Å; W882-R950 HydrophobicContact CH2-CB 4.18Å; W882-R950 HydrophobicContact CZ2-CB 4.49Å; W882-R950 HydrophobicContact CZ3-CB 4.15Å; W882-R950 VanDerWaalsContact CZ3-N 3.35Å |
| 883 | V | 90 | Very high | 74 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.3 | 171.1 | -62 | 0 | 0 | 0 | 0 | 109.7 | S862 R864 Y896 K897 A899 | S862-V883 WeakPolarHBondContact OG-CG1 3.35Å; R864-V883 HydrophobicContact CB-CG1 3.94Å; V883-Y896 CarbonylContact O-C 3.53Å; V883-Y896 WeakPolarHBondContact O-CA 3.26Å; V883-K897 HydrophobicContact CG2-CD 4.44Å; V883-K897 HydrophobicContact CG2-CG 3.64Å; V883-K897 WeakPolarHBondContact CG2-O 3.39Å; V883-K897 PolarHBondContact N-O 2.78Å; V883-K897 PolarHBondContact O-N 3.36Å; V883-A899 HydrophobicContact CG1-CB 4.07Å; V883-A899 HydrophobicContact CG2-CB 4.23Å |
| 884 | P | 84.4 | Confident | 72.5 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 145 | 169.2 | -25.1 | 35 | 0 | 0 | 0 | 112.2 | P837 P863 K897 | P837-P884 HydrophobicContact CG-CG 4.43Å; P863-P884 WeakPolarHBondContact O-CD 3.5Å; P884-K897 WeakPolarHBondContact O-CE 3.14Å |
| 885 | A | 74.4 | Confident | 71.4 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 148 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q895 | A885-Q895 HydrophobicContact CB-CB 3.93Å; A885-Q895 WeakPolarHBondContact CB-O 3.18Å; A885-Q895 PolarHBondContact N-O 3.11Å; A885-Q895 VanDerWaalsContact N-O 3.08Å |
| 886 | E | 64.9 | Low | 70.8 | Confident | 158 Ų | 158 | 72.9 Ų | 72.9 | 74% | 0.738 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 135.6 | 167.7 | -79 | 140.4 | -117.3 | 0 | 0 | 108.3 | S888 K897 | E886-S888 PolarHBondContact O-N 2.85Å; E886-K897 IonicContact OE1-NZ 2.92Å; E886-K897 PolarHBondContact OE1-NZ 2.82Å; E886-K897 IonicContact OE2-NZ 3.76Å |
| 887 | Q | 52.8 | Low | 70.4 | Confident | 191 Ų | 191 | 76.7 Ų | 76.7 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | trans | -70.7 | 113.4 | -173.4 | -69.5 | 175.7 | -17.2 | 0 | 0 | 111 | ||||
| 888 | S | 46 | Very low | 70.2 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 67% | 0.671 | 41% | 0.405 | S | S | * | . | trans | -80 | 153.7 | 150.4 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | E886 A890 | E886-S888 PolarHBondContact O-N 2.85Å; S888-A890 PolarHBondContact O-N 2.95Å | ||
| 889 | N | 46.3 | Very low | 70 | Confident | 175 Ų | 175 | 76.9 Ų | 76.9 | 94% | 0.936 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -77 | 45.8 | -169.7 | -65.5 | -14.2 | 0 | 0 | 0 | 114.1 | ||
| 890 | A | 44.7 | Very low | 69.6 | Low | 76 Ų | 76 | 79.6 Ų | 79.6 | 63% | 0.628 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -145.6 | 114 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S888 | S888-A890 PolarHBondContact O-N 2.95Š|
| 891 | E | 47.8 | Very low | 69.4 | Low | 140 Ų | 140 | 82.3 Ų | 82.3 | 65% | 0.654 | 44% | 0.439 | S | S | * | . | trans | 53.1 | 132.3 | 175.1 | -68.3 | -162.2 | 155.6 | 0 | 0 | 119.7 | K893 | E891-K893 VanDerWaalsContact C-N 3.29Å; E891-K893 PolarHBondContact O-N 3.21Å; E891-K893 WeakPolarHBondContact OE2-CE 3.48Å; E891-K893 IonicContact OE2-NZ 2.77Å; E891-K893 PolarHBondContact OE2-NZ 2.92Å | ||
| 892 | P | 45 | Very low | 69.1 | Low | 136 Ų | 136 | 84.2 Ų | 84.2 | 88% | 0.883 | 45% | 0.449 | S | S | * | . | trans | -80.9 | 61.9 | -176.7 | 35.7 | -38.1 | 0 | 0 | 0 | 113.8 | ||||
| 893 | K | 51.5 | Low | 69 | Low | 144 Ų | 144 | 84.8 Ų | 84.8 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | trans | -93.4 | 123.6 | 169.4 | -73.8 | 164.6 | -179.6 | 150.9 | 0 | 109.3 | E891 Q895 | E891-K893 VanDerWaalsContact C-N 3.29Å; E891-K893 PolarHBondContact O-N 3.21Å; E891-K893 WeakPolarHBondContact OE2-CE 3.48Å; E891-K893 IonicContact OE2-NZ 2.77Å; E891-K893 PolarHBondContact OE2-NZ 2.92Å; K893-Q895 VanDerWaalsContact C-N 3.26Å; K893-Q895 PolarHBondContact O-N 2.82Å | ||
| 894 | K | 55.8 | Low | 69 | Low | 143 Ų | 143 | 84.2 Ų | 84.2 | 62% | 0.622 | 45% | 0.451 | S | S | * | . | trans | -70.9 | 71.2 | -176.1 | -69.4 | -172.6 | 177.6 | -178.6 | 0 | 112.5 | Y896 | K894-Y896 HydrophobicContact CB-CE2 4.29Å; K894-Y896 VanDerWaalsContact O-CD2 3.29Å; K894-Y896 WeakPolarHBondContact O-CD2 3.3Å; K894-Y896 VanDerWaalsContact O-CE2 3.26Å; K894-Y896 WeakPolarHBondContact O-CE2 3.24Å | ||
| 895 | Q | 66.5 | Low | 69.4 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.5 | 43% | 0.433 | S | S | . | . | trans | -72.8 | 142.6 | 176.7 | -72.6 | 178.9 | -12.4 | 0 | 0 | 112 | A885 K893 | A885-Q895 HydrophobicContact CB-CB 3.93Å; A885-Q895 WeakPolarHBondContact CB-O 3.18Å; A885-Q895 PolarHBondContact N-O 3.11Å; A885-Q895 VanDerWaalsContact N-O 3.08Å; K893-Q895 VanDerWaalsContact C-N 3.26Å; K893-Q895 PolarHBondContact O-N 2.82Å | ||
| 896 | Y | 77.8 | Confident | 70.2 | Confident | 17 Ų | 17 | 79.9 Ų | 79.9 | 7% | 0.067 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127 | 177 | -61.7 | -79.7 | 0 | 0 | 0 | 109.1 | Q836 P837 W882 V883 K894 D949 | Q836-Y896 PolarHBondContact OE1-OH 2.81Å; P837-Y896 HydrophobicContact CG-CD1 3.96Å; P837-Y896 HydrophobicContact CG-CE1 3.53Å; W882-Y896 VanDerWaalsContact CE3-O 3.29Å; W882-Y896 WeakPolarHBondContact CZ3-O 3.18Å; V883-Y896 CarbonylContact O-C 3.53Å; V883-Y896 WeakPolarHBondContact O-CA 3.26Å; K894-Y896 HydrophobicContact CB-CE2 4.29Å; K894-Y896 VanDerWaalsContact O-CD2 3.29Å; K894-Y896 WeakPolarHBondContact O-CD2 3.3Å; K894-Y896 VanDerWaalsContact O-CE2 3.26Å; K894-Y896 WeakPolarHBondContact O-CE2 3.24Å; Y896-D949 VanDerWaalsContact O-OD1 3.06Å |
| 897 | K | 84.4 | Confident | 71.5 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.7 | 179.4 | 60 | -175.1 | 177.1 | 178.5 | 0 | 111.1 | V883 P884 E886 | V883-K897 HydrophobicContact CG2-CD 4.44Å; V883-K897 HydrophobicContact CG2-CG 3.64Å; V883-K897 WeakPolarHBondContact CG2-O 3.39Å; V883-K897 PolarHBondContact N-O 2.78Å; V883-K897 PolarHBondContact O-N 3.36Å; P884-K897 WeakPolarHBondContact O-CE 3.14Å; E886-K897 IonicContact OE1-NZ 2.92Å; E886-K897 PolarHBondContact OE1-NZ 2.82Å; E886-K897 IonicContact OE2-NZ 3.76Å |
| 898 | C | 87.6 | Confident | 73.2 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 10% | 0.101 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 142.6 | 165.3 | -77 | 0 | 0 | 0 | 0 | 110.2 | G881 W882 A927 R946 | G881-C898 CarbonylContact O-C 3.48Å; W882-C898 VanDerWaalsContact CH2-SG 3.54Å; W882-C898 VanDerWaalsContact CZ3-SG 3.55Å; C898-A927 HydrophobicContact CB-CB 4.1Å; C898-A927 WeakPolarHBondContact O-CB 3.36Å; C898-R946 PolarHBondContact SG-O 3.48Å |
| 899 | A | 87.1 | Confident | 75.3 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | trans | -106.5 | 153.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G880 G881 V883 A927 R928 | G880-A899 WeakPolarHBondContact CA-O 3.28Å; G881-A899 PolarHBondContact O-N 2.91Å; V883-A899 HydrophobicContact CG1-CB 4.07Å; V883-A899 HydrophobicContact CG2-CB 4.23Å; A899-A927 VanDerWaalsContact O-CA 3.29Å; A899-A927 WeakPolarHBondContact O-CA 3.28Å; A899-R928 PolarHBondContact O-N 3.23Å | ||
| 900 | N | 84.3 | Confident | 77.5 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | trans | -113.4 | 15.5 | 163.3 | 62.9 | -14.8 | 0 | 0 | 0 | 112.1 | F879 L902 P925 A927 | F879-N900 VanDerWaalsContact CE2-O 3.26Å; F879-N900 WeakPolarHBondContact CE2-O 3.48Å; N900-L902 PolarHBondContact O-N 3.21Å; N900-P925 VanDerWaalsContact CB-O 3.31Å; N900-P925 WeakPolarHBondContact CB-O 3.4Å; N900-A927 HydrophobicContact CB-CB 4.03Å | ||
| 901 | T | 85.9 | Confident | 79.8 | Confident | 57 Ų | 57 | 67 Ų | 67 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | trans | -70.3 | 131 | -179.1 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | R864 F879 G880 | R864-T901 PolarHBondContact NH1-OG1 3.49Å; R864-T901 PolarHBondContact NH2-OG1 3.11Å; F879-T901 WeakPolarHBondContact CA-O 3.36Å; G880-T901 PolarHBondContact N-O 3.07Å; G880-T901 VanDerWaalsContact N-O 3.09Å | ||
| 902 | L | 85.5 | Confident | 81.8 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.7 | 167.5 | -178.5 | 67.9 | 0 | 0 | 0 | 107.8 | I878 F879 N900 L915 M940 L965 | I878-L902 WeakPolarHBondContact O-CA 3.5Å; F879-L902 HydrophobicContact CB-CD1 4.05Å; F879-L902 HydrophobicContact CD2-CB 3.98Å; F879-L902 HydrophobicContact CD2-CD1 4.06Å; F879-L902 HydrophobicContact CG-CD1 4.5Å; N900-L902 PolarHBondContact O-N 3.21Å; L902-L915 HydrophobicContact CB-CD1 4.46Å; L902-L915 HydrophobicContact CD2-CD1 3.45Å; L902-L915 VanDerWaalsContact CD2-CD1 3.45Å; L902-L915 HydrophobicContact CG-CD1 3.62Å; L902-M940 HydrophobicContact CD1-CE 3.8Å; L902-L965 HydrophobicContact CD1-CD2 4.38Å; L902-L965 HydrophobicContact CD2-CD1 4.18Å; L902-L965 HydrophobicContact CD2-CD2 3.72Å |
| 903 | T | 87.1 | Confident | 83.7 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.1 | -179.1 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | S861 I878 | S861-T903 WeakPolarHBondContact CB-OG1 3.3Å; S861-T903 WeakPolarHBondContact OG-CB 3.44Å; S861-T903 VanDerWaalsContact OG-CG2 3.3Å; S861-T903 WeakPolarHBondContact OG-CG2 3.44Å; S861-T903 PolarHBondContact OG-OG1 3.24Å; I878-T903 PolarHBondContact N-O 3.48Å; I878-T903 PolarHBondContact O-N 2.83Å; I878-T903 PolarHBondContact O-OG1 3.44Å |
| 904 | C | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.3 | -171.9 | -177 | 0 | 0 | 0 | 0 | 110.3 | M876 Y877 W912 E913 L915 | M876-C904 WeakPolarHBondContact O-CA 3.29Å; Y877-C904 HydrophobicContact CD1-CB 4.36Å; Y877-C904 HydrophobicContact CE1-CB 4.31Å; C904-W912 WeakPolarHBondContact O-CA 3.26Å; C904-E913 HydrophobicContact CB-CB 4.32Å; C904-E913 PolarHBondContact O-N 3.35Å; C904-L915 HydrophobicContact CB-CD1 4.33Å; C904-L915 HydrophobicContact CB-CD2 4.01Å; C904-L915 HydrophobicContact CB-CG 4.1Å |
| 905 | L | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.4 | 170.5 | 176.2 | 62.1 | 0 | 0 | 0 | 108.7 | V841 I856 K875 M876 L907 W912 | V841-L905 HydrophobicContact CG1-CD2 4.33Å; V841-L905 HydrophobicContact CG2-CD2 4.22Å; I856-L905 HydrophobicContact CD1-CD1 4.24Å; I856-L905 HydrophobicContact CD1-CD2 4.17Å; I856-L905 HydrophobicContact CG2-CD1 3.78Å; K875-L905 WeakPolarHBondContact CA-O 3.37Å; M876-L905 HydrophobicContact CB-CB 4.44Å; M876-L905 PolarHBondContact N-O 2.86Å; M876-L905 PolarHBondContact O-N 3.08Å; L905-L907 HydrophobicContact CD2-CD2 4.24Å; L905-L907 HydrophobicContact CG-CD2 4.21Å; L905-W912 HydrophobicContact CB-CD2 4.46Å; L905-W912 HydrophobicContact CB-CE3 4.06Å; L905-W912 HydrophobicContact CB-CH2 4.43Å; L905-W912 HydrophobicContact CB-CZ3 4.04Å; L905-W912 HydrophobicContact CD1-CD2 4.28Å; L905-W912 HydrophobicContact CD1-CG 4.45Å |
| 906 | N | 91.5 | Very high | 84.9 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121 | 170.2 | -172.6 | -45.6 | 0 | 0 | 0 | 109 | E908 Q909 M910 R911 E913 | N906-E908 PolarHBondContact OD1-N 2.87Å; N906-E908 VanDerWaalsContact OD1-N 3.12Å; N906-Q909 HydrophobicContact CB-CB 4.23Å; N906-Q909 PolarHBondContact OD1-N 3.48Å; N906-M910 VanDerWaalsContact O-CA 3.29Å; N906-M910 WeakPolarHBondContact O-CA 3.4Å; N906-M910 PolarHBondContact O-N 3.03Å; N906-R911 WeakPolarHBondContact CB-O 2.71Å; N906-R911 PolarHBondContact N-O 3.01Å; N906-R911 PolarHBondContact O-N 2.86Å; N906-E913 HydrophobicContact CB-CG 4.23Å; N906-E913 WeakPolarHBondContact CB-OE1 3.36Å; N906-E913 PolarHBondContact ND2-OE1 2.82Å |
| 907 | L | 92 | Very high | 83.7 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.7 | -171 | -56 | 176.7 | 0 | 0 | 0 | 113.4 | Y819 F828 V871 N874 M876 L905 | Y819-L907 HydrophobicContact CD1-CB 3.79Å; Y819-L907 HydrophobicContact CD1-CD1 3.68Å; Y819-L907 HydrophobicContact CD1-CG 4.35Å; Y819-L907 HydrophobicContact CD2-CD1 4.06Å; Y819-L907 HydrophobicContact CE1-CB 3.44Å; Y819-L907 VanDerWaalsContact CE1-CB 3.44Å; Y819-L907 HydrophobicContact CE1-CD1 3.98Å; Y819-L907 HydrophobicContact CE1-CG 4.36Å; Y819-L907 HydrophobicContact CE2-CD1 4.35Å; Y819-L907 HydrophobicContact CG-CD1 3.74Å; F828-L907 HydrophobicContact CD1-CD2 3.76Å; F828-L907 HydrophobicContact CE1-CD2 3.58Å; F828-L907 HydrophobicContact CG-CD2 4.33Å; F828-L907 HydrophobicContact CZ-CB 4.42Å; F828-L907 HydrophobicContact CZ-CD2 4.03Å; V871-L907 HydrophobicContact CG1-CD1 3.91Å; V871-L907 HydrophobicContact CG2-CD1 3.96Å; N874-L907 WeakPolarHBondContact O-CB 3.41Å; N874-L907 PolarHBondContact O-N 2.72Å; M876-L907 HydrophobicContact CB-CD1 4.3Å; M876-L907 HydrophobicContact CB-CD2 3.88Å; M876-L907 HydrophobicContact CB-CG 4.32Å; L905-L907 HydrophobicContact CD2-CD2 4.24Å; L905-L907 HydrophobicContact CG-CD2 4.21Å |
| 908 | E | 88.5 | Confident | 82.3 | Confident | 125 Ų | 125 | 63.6 Ų | 63.6 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -38 | 175.1 | -69.6 | 165.9 | -179.1 | 0 | 0 | 111 | Y819 N874 N906 | Y819-E908 WeakPolarHBondContact OH-CG 3.49Å; Y819-E908 PolarHBondContact OH-OE1 2.91Å; N874-E908 HydrophobicContact CB-CG 3.97Å; N874-E908 VanDerWaalsContact CB-OE1 3.27Å; N874-E908 WeakPolarHBondContact CB-OE1 3.23Å; N874-E908 PolarHBondContact ND2-OE2 2.67Å; N906-E908 PolarHBondContact OD1-N 2.87Å; N906-E908 VanDerWaalsContact OD1-N 3.12Å |
| 909 | Q | 89.6 | Confident | 80.4 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.4 | 179.4 | -61.5 | -174.4 | -1.3 | 0 | 0 | 113.9 | N906 R911 | N906-Q909 HydrophobicContact CB-CB 4.23Å; N906-Q909 PolarHBondContact OD1-N 3.48Å; Q909-R911 VanDerWaalsContact C-N 3.31Å; Q909-R911 HydrophobicContact CB-CB 4.07Å; Q909-R911 PolarHBondContact O-N 3.4Å |
| 910 | M | 92.3 | Very high | 78.7 | Confident | 39 Ų | 39 | 70 Ų | 70 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 55.9 | -171.3 | -62.3 | -54.5 | -73.5 | 0 | 0 | 112 | F828 I843 P854 I856 S857 N906 | F828-M910 HydrophobicContact CE1-CE 4.1Å; F828-M910 HydrophobicContact CE1-SD 4.15Å; I843-M910 HydrophobicContact CD1-CE 3.65Å; P854-M910 HydrophobicContact CB-CE 3.42Å; P854-M910 VanDerWaalsContact CB-CE 3.42Å; P854-M910 HydrophobicContact CG-CE 3.51Å; I856-M910 WeakPolarHBondContact CA-O 3.44Å; I856-M910 HydrophobicContact CD1-CE 4.07Å; I856-M910 HydrophobicContact CG1-CE 3.91Å; I856-M910 WeakPolarHBondContact CG2-O 3.27Å; S857-M910 PolarHBondContact N-O 2.9Å; S857-M910 PolarHBondContact OG-O 3.3Å; N906-M910 VanDerWaalsContact O-CA 3.29Å; N906-M910 WeakPolarHBondContact O-CA 3.4Å; N906-M910 PolarHBondContact O-N 3.03Å |
| 911 | R | 93.1 | Very high | 77.2 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.3 | -171.1 | -176.9 | 168.5 | -178 | 175.9 | 3.9 | 112.5 | S857 N906 Q909 E913 | S857-R911 CarbonylContact O-C 3.6Å; S857-R911 WeakPolarHBondContact O-CA 3.45Å; S857-R911 WeakPolarHBondContact OG-CB 3.3Å; S857-R911 VanDerWaalsContact OG-CG 3.32Å; S857-R911 WeakPolarHBondContact OG-CG 3.41Å; N906-R911 WeakPolarHBondContact CB-O 2.71Å; N906-R911 PolarHBondContact N-O 3.01Å; N906-R911 PolarHBondContact O-N 2.86Å; Q909-R911 VanDerWaalsContact C-N 3.31Å; Q909-R911 HydrophobicContact CB-CB 4.07Å; Q909-R911 PolarHBondContact O-N 3.4Å; R911-E913 PolarHBondContact O-N 2.92Å |
| 912 | W | 90.1 | Very high | 75.5 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 8% | 0.076 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121 | 166.5 | -67.6 | 103.7 | 0 | 0 | 0 | 110.1 | Y830 V841 I856 S857 V859 I878 C904 L905 | Y830-W912 HydrophobicContact CD2-CH2 4.15Å; Y830-W912 HydrophobicContact CD2-CZ2 4.32Å; Y830-W912 AromaticContact CE2-CH2 3.87Å; Y830-W912 HydrophobicContact CE2-CH2 3.87Å; Y830-W912 HydrophobicContact CE2-CZ2 4.03Å; V841-W912 HydrophobicContact CG2-CZ2 3.98Å; I856-W912 HydrophobicContact CG2-CG 4.29Å; S857-W912 PolarHBondContact O-N 3.13Å; V859-W912 WeakPolarHBondContact O-CB 3.08Å; I878-W912 HydrophobicContact CD1-CH2 3.68Å; I878-W912 HydrophobicContact CD1-CZ3 3.83Å; C904-W912 WeakPolarHBondContact O-CA 3.26Å; L905-W912 HydrophobicContact CB-CD2 4.46Å; L905-W912 HydrophobicContact CB-CE3 4.06Å; L905-W912 HydrophobicContact CB-CH2 4.43Å; L905-W912 HydrophobicContact CB-CZ3 4.04Å; L905-W912 HydrophobicContact CD1-CD2 4.28Å; L905-W912 HydrophobicContact CD1-CG 4.45Å |
| 913 | E | 84.8 | Confident | 74.1 | Confident | 51 Ų | 51 | 79 Ų | 79 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.7 | 177.1 | -70 | -174.9 | -168.8 | 0 | 0 | 110.7 | K875 C904 N906 R911 L915 | K875-E913 VanDerWaalsContact CE-OE1 3.24Å; K875-E913 WeakPolarHBondContact CE-OE1 3.41Å; K875-E913 IonicContact NZ-OE1 2.63Å; K875-E913 PolarHBondContact NZ-OE1 2.68Å; K875-E913 IonicContact NZ-OE2 2.96Å; K875-E913 PolarHBondContact NZ-OE2 2.57Å; C904-E913 HydrophobicContact CB-CB 4.32Å; C904-E913 PolarHBondContact O-N 3.35Å; N906-E913 HydrophobicContact CB-CG 4.23Å; N906-E913 WeakPolarHBondContact CB-OE1 3.36Å; N906-E913 PolarHBondContact ND2-OE1 2.82Å; R911-E913 PolarHBondContact O-N 2.92Å; E913-L915 PolarHBondContact O-N 2.84Å |
| 914 | L | 70.8 | Confident | 73.2 | Confident | 172 Ų | 172 | 80 Ų | 80 | 90% | 0.901 | 40% | 0.398 | S | S | * | . | trans | -77.2 | 111.1 | 168.8 | -178.2 | 64.8 | 0 | 0 | 0 | 109.3 | ||||
| 915 | L | 68.3 | Low | 72.6 | Confident | 46 Ų | 46 | 80.5 Ų | 80.5 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | trans | -65.2 | 140.2 | 169.8 | -59.9 | 174.9 | 0 | 0 | 0 | 109.6 | Y877 L902 C904 E913 | Y877-L915 HydrophobicContact CD1-CD1 4.5Å; Y877-L915 HydrophobicContact CE1-CD1 4.41Å; Y877-L915 HydrophobicContact CE1-CD2 4.32Å; L902-L915 HydrophobicContact CB-CD1 4.46Å; L902-L915 HydrophobicContact CD2-CD1 3.45Å; L902-L915 VanDerWaalsContact CD2-CD1 3.45Å; L902-L915 HydrophobicContact CG-CD1 3.62Å; C904-L915 HydrophobicContact CB-CD1 4.33Å; C904-L915 HydrophobicContact CB-CD2 4.01Å; C904-L915 HydrophobicContact CB-CG 4.1Å; E913-L915 PolarHBondContact O-N 2.84Å | ||
| 916 | K | 59.7 | Low | 72.1 | Confident | 169 Ų | 169 | 88.5 Ų | 88.5 | 74% | 0.735 | 43% | 0.431 | S | S | * | . | trans | -55.3 | 143.2 | 178 | -70.6 | -177.8 | 178.1 | 178.6 | 0 | 110.5 | I918 | K916-I918 PolarHBondContact O-N 2.82Š| ||
| 917 | K | 54.3 | Low | 71.8 | Confident | 203 Ų | 203 | 89.5 Ų | 89.5 | 88% | 0.883 | 44% | 0.44 | S | S | * | . | trans | -60.4 | 108.3 | 178.3 | -81 | -175.2 | 174.4 | 180 | 0 | 110.2 | A919 | K917-A919 PolarHBondContact O-N 2.91Š| ||
| 918 | I | 54.4 | Low | 71.7 | Confident | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | trans | -53.4 | 122.6 | 165.9 | -59.6 | 154.8 | 0 | 0 | 0 | 107.8 | K916 S920 A923 K924 V973 | K916-I918 PolarHBondContact O-N 2.82Å; I918-S920 PolarHBondContact O-N 3.07Å; I918-A923 HydrophobicContact CG2-CB 4.01Å; I918-K924 HydrophobicContact CD1-CG 4.41Å; I918-K924 HydrophobicContact CG2-CG 4.36Å; I918-V973 HydrophobicContact CD1-CB 4.29Å; I918-V973 HydrophobicContact CD1-CG2 3.56Å; I918-V973 HydrophobicContact CG1-CG2 4.22Å | ||
| 919 | A | 47.1 | Very low | 71.8 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 90% | 0.901 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -73 | 4.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K917 | K917-A919 PolarHBondContact O-N 2.91Š|
| 920 | S | 51.7 | Low | 71.9 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | trans | -150.4 | 142.4 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | I918 Q922 A923 K924 | I918-S920 PolarHBondContact O-N 3.07Å; S920-Q922 VanDerWaalsContact C-N 3.29Å; S920-Q922 PolarHBondContact OG-N 3.08Å; S920-Q922 VanDerWaalsContact OG-N 3.08Å; S920-A923 PolarHBondContact O-N 2.88Å; S920-K924 WeakPolarHBondContact O-CE 3.43Å | ||
| 921 | E | 52 | Low | 72 | Confident | 131 Ų | 131 | 76.3 Ų | 76.3 | 61% | 0.612 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -68.8 | -27.8 | 168.6 | -75.2 | -54.6 | 124.4 | 0 | 0 | 112.4 | A923 K924 | E921-A923 PolarHBondContact O-N 2.68Å; E921-K924 PolarHBondContact O-N 3.44Å; E921-K924 IonicContact OE1-NZ 3.15Å; E921-K924 PolarHBondContact OE1-NZ 3.37Å |
| 922 | Q | 50.3 | Low | 71.9 | Confident | 184 Ų | 184 | 70.7 Ų | 70.7 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -71.1 | -14.9 | 177.1 | -62.8 | 170.4 | -17 | 0 | 0 | 112.3 | S920 | S920-Q922 VanDerWaalsContact C-N 3.29Å; S920-Q922 PolarHBondContact OG-N 3.08Å; S920-Q922 VanDerWaalsContact OG-N 3.08Å |
| 923 | A | 57.1 | Low | 72.1 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -95.4 | 15.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | I918 S920 E921 V973 | I918-A923 HydrophobicContact CG2-CB 4.01Å; S920-A923 PolarHBondContact O-N 2.88Å; E921-A923 PolarHBondContact O-N 2.68Å; A923-V973 VanDerWaalsContact O-CG1 3.3Å; A923-V973 WeakPolarHBondContact O-CG1 3.22Å |
| 924 | K | 67.5 | Low | 72.4 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -121.7 | 144.7 | -175.1 | -63.1 | 173.7 | -171.6 | 171.9 | 0 | 112.2 | I918 S920 E921 W963 | I918-K924 HydrophobicContact CD1-CG 4.41Å; I918-K924 HydrophobicContact CG2-CG 4.36Å; S920-K924 WeakPolarHBondContact O-CE 3.43Å; E921-K924 PolarHBondContact O-N 3.44Å; E921-K924 IonicContact OE1-NZ 3.15Å; E921-K924 PolarHBondContact OE1-NZ 3.37Å; K924-W963 WeakPolarHBondContact O-CH2 3.25Å |
| 925 | P | 77.3 | Confident | 73.2 | Confident | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.071 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 139.6 | 171.4 | -9.5 | 21.7 | 0 | 0 | 0 | 110.9 | F879 N900 I942 W963 | F879-P925 HydrophobicContact CE1-CB 4.41Å; F879-P925 HydrophobicContact CE2-CG 4.31Å; F879-P925 HydrophobicContact CZ-CB 3.85Å; F879-P925 HydrophobicContact CZ-CG 3.87Å; N900-P925 VanDerWaalsContact CB-O 3.31Å; N900-P925 WeakPolarHBondContact CB-O 3.4Å; P925-I942 HydrophobicContact CG-CD1 4.49Å; P925-W963 HydrophobicContact CB-CB 4.45Å; P925-W963 HydrophobicContact CB-CD2 3.74Å; P925-W963 HydrophobicContact CB-CE3 4.27Å; P925-W963 HydrophobicContact CB-CG 3.79Å; P925-W963 HydrophobicContact CG-CB 4.05Å; P925-W963 HydrophobicContact CG-CD2 3.65Å; P925-W963 HydrophobicContact CG-CE3 3.77Å; P925-W963 HydrophobicContact CG-CG 3.77Å; P925-W963 HydrophobicContact CG-CZ3 4.46Å |
| 926 | R | 80.7 | Confident | 73.6 | Confident | 168 Ų | 168 | 61.5 Ų | 61.5 | 63% | 0.634 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 148.1 | 173.4 | -68.1 | -174.6 | -179.3 | -166.9 | 1.3 | 111.6 | R928 H959 | R926-R928 PolarHBondContact O-N 2.93Å; R926-R928 PolarHBondContact O-NE 2.85Å; R926-R928 PolarHBondContact O-NH2 2.9Å; R926-H959 WeakPolarHBondContact CB-NE2 3.46Å |
| 927 | A | 86.4 | Confident | 74.4 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 131.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C898 A899 N900 | C898-A927 HydrophobicContact CB-CB 4.1Å; C898-A927 WeakPolarHBondContact O-CB 3.36Å; A899-A927 VanDerWaalsContact O-CA 3.29Å; A899-A927 WeakPolarHBondContact O-CA 3.28Å; N900-A927 HydrophobicContact CB-CB 4.03Å |
| 928 | R | 89.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -156.2 | 151 | -167.3 | 61 | -175 | 70 | -151.9 | 1.8 | 113.7 | F879 G881 A899 R926 H931 S944 R946 D961 | F879-R928 HydrophobicContact CE1-CG 4Å; G881-R928 PolarHBondContact N-O 3.36Å; A899-R928 PolarHBondContact O-N 3.23Å; R926-R928 PolarHBondContact O-N 2.93Å; R926-R928 PolarHBondContact O-NE 2.85Å; R926-R928 PolarHBondContact O-NH2 2.9Å; R928-H931 HydrophobicContact CG-CB 4.33Å; R928-H931 PolarHBondContact O-CE1 2.98Å; R928-S944 WeakPolarHBondContact CD-O 3.32Å; R928-S944 PolarHBondContact NH1-O 2.92Å; R928-R946 WeakPolarHBondContact CA-O 3.27Å; R928-D961 IonicContact CZ-OD1 3.65Å; R928-D961 VanDerWaalsContact CZ-OD1 3.31Å; R928-D961 IonicContact CZ-OD2 2.67Å; R928-D961 IonicContact NH1-OD1 2.68Å; R928-D961 PolarHBondContact NH1-OD1 2.73Å; R928-D961 IonicContact NH1-OD2 3.96Å; R928-D961 VanDerWaalsContact NH2-CG 3.34Å; R928-D961 IonicContact NH2-OD1 3.47Å; R928-D961 PolarHBondContact NH2-OD1 3.25Å; R928-D961 IonicContact NH2-OD2 3.15Å; R928-D961 PolarHBondContact NH2-OD2 2.65Å | ||
| 929 | A | 91.4 | Very high | 76.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -132.4 | 153.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M866 W882 H931 R946 | M866-A929 HydrophobicContact CB-CB 4.28Å; W882-A929 VanDerWaalsContact CD1-CB 3.48Å; W882-A929 HydrophobicContact CD2-CB 4.01Å; W882-A929 HydrophobicContact CG-CB 3.88Å; W882-A929 HydrophobicContact CZ2-CB 4.36Å; W882-A929 VanDerWaalsContact NE1-CB 3.34Å; A929-H931 PolarHBondContact O-N 2.88Å; A929-R946 PolarHBondContact N-O 2.85Å; A929-R946 PolarHBondContact O-N 2.85Å |
| 930 | G | 91.1 | Very high | 78.4 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 65.4 | 27.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H602 S603 H604 M866 | H602-G930 CarbonylContact C-O 3.47Å; H602-G930 WeakPolarHBondContact CA-O 3.38Å; S603-G930 PolarHBondContact N-O 3.33Å; H604-G930 PolarHBondContact CE1-O 2.88Å; M866-G930 PolarHBondContact O-N 3.29Å |
| 931 | H | 93.5 | Very high | 80.1 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | trans | -82.2 | 168.3 | 168.2 | 59.3 | -80.7 | 0 | 0 | 0 | 110.8 | H604 H867 S868 F879 G880 G881 R928 A929 S944 | H604-H931 WeakPolarHBondContact CE1-CA 3.34Å; H867-H931 VanDerWaalsContact CA-CE1 3.46Å; H867-H931 WeakPolarHBondContact CA-CE1 3.3Å; S868-H931 WeakPolarHBondContact CA-NE2 3.26Å; S868-H931 WeakPolarHBondContact CB-NE2 3.27Å; S868-H931 PolarHBondContact N-NE2 2.99Å; S868-H931 PolarHBondContact OG-CD2 3.14Å; S868-H931 PolarHBondContact OG-NE2 2.89Å; F879-H931 VanDerWaalsContact C-CE1 3.5Å; F879-H931 AromaticContact CD1-NE2 3.51Å; F879-H931 PolarHBondContact O-CE1 2.85Å; F879-H931 PolarHBondContact O-NE2 3.08Å; G880-H931 WeakPolarHBondContact CA-CE1 3.39Å; G881-H931 PolarHBondContact N-CE1 2.88Å; R928-H931 HydrophobicContact CG-CB 4.33Å; R928-H931 PolarHBondContact O-CE1 2.98Å; A929-H931 PolarHBondContact O-N 2.88Å; H931-S944 VanDerWaalsContact CB-O 3.28Å; H931-S944 WeakPolarHBondContact CB-O 3.34Å | ||
| 932 | S | 92.8 | Very high | 81.9 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.7 | 169.1 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | H604 A606 W943 | H604-S932 PolarHBondContact CD2-OG 2.99Å; H604-S932 WeakPolarHBondContact NE2-CA 3.18Å; H604-S932 WeakPolarHBondContact NE2-CB 3.33Å; H604-S932 PolarHBondContact NE2-N 3.38Å; H604-S932 PolarHBondContact NE2-OG 3.37Å; A606-S932 WeakPolarHBondContact CB-OG 3.38Å; S932-W943 PolarHBondContact N-O 3.22Å; S932-W943 PolarHBondContact O-N 2.88Å |
| 933 | A | 92.4 | Very high | 83.8 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 12% | 0.116 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S868 N870 M940 Y941 I942 | S868-A933 VanDerWaalsContact OG-CB 3.31Å; S868-A933 WeakPolarHBondContact OG-CB 3.41Å; N870-A933 PolarHBondContact ND2-O 3.11Å; N870-A933 VanDerWaalsContact OD1-C 3.27Å; N870-A933 VanDerWaalsContact OD1-CB 3.32Å; N870-A933 WeakPolarHBondContact OD1-CB 3.07Å; N870-A933 PolarHBondContact OD1-O 3.03Å; A933-M940 HydrophobicContact CB-CG 4.31Å; A933-Y941 CarbonylContact C-O 3.56Å; A933-Y941 WeakPolarHBondContact CA-O 3.33Å; A933-I942 HydrophobicContact CB-CG1 3.99Å |
| 934 | V | 91.8 | Very high | 85.3 | Confident | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.7 | -177.8 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | A606 V608 M613 M940 Y941 | A606-V934 HydrophobicContact CB-CG1 4.01Å; A606-V934 WeakPolarHBondContact O-CG1 3.31Å; V608-V934 HydrophobicContact CG2-CB 3.7Å; V608-V934 HydrophobicContact CG2-CG1 4.25Å; V608-V934 HydrophobicContact CG2-CG2 3.67Å; M613-V934 HydrophobicContact CE-CG1 4.47Å; M613-V934 HydrophobicContact CE-CG2 3.84Å; M613-V934 HydrophobicContact CG-CG2 4.12Å; M613-V934 HydrophobicContact SD-CG2 3.89Å; V934-M940 CarbonylContact O-C 3.58Å; V934-M940 WeakPolarHBondContact O-CA 3.33Å; V934-Y941 PolarHBondContact N-O 2.98Å; V934-Y941 PolarHBondContact O-N 2.99Å |
| 935 | A | 88 | Confident | 86.4 | Confident | 37 Ų | 37 | 24.6 Ų | 24.6 | 31% | 0.306 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N870 I872 R939 | N870-A935 HydrophobicContact CB-CB 4.13Å; I872-A935 HydrophobicContact CD1-CB 3.88Å; I872-A935 HydrophobicContact CG1-CB 3.73Å; A935-R939 CarbonylContact C-O 3.55Å; A935-R939 VanDerWaalsContact CA-O 3.31Å; A935-R939 WeakPolarHBondContact CA-O 3.41Å |
| 936 | I | 77.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 26.5 Ų | 26.5 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 113.8 | 170.4 | -50.8 | -171.2 | 0 | 0 | 0 | 108.6 | V608 V632 S938 R939 Y941 | V608-I936 HydrophobicContact CB-CD1 4.31Å; V608-I936 HydrophobicContact CB-CG1 4.39Å; V608-I936 HydrophobicContact CG1-CD1 3.58Å; V608-I936 HydrophobicContact CG1-CG1 3.89Å; V608-I936 HydrophobicContact CG2-CD1 3.7Å; V608-I936 HydrophobicContact CG2-CG1 3.74Å; V632-I936 HydrophobicContact CB-CD1 3.68Å; V632-I936 HydrophobicContact CG1-CD1 3.71Å; V632-I936 HydrophobicContact CG2-CD1 4.13Å; I936-S938 PolarHBondContact O-N 3.37Å; I936-R939 PolarHBondContact N-O 2.86Å; I936-R939 PolarHBondContact O-N 3.1Å; I936-Y941 HydrophobicContact CB-CE2 4.32Å |
| 937 | G | 75.5 | Confident | 86.5 | Confident | 70 Ų | 70 | 21 Ų | 21 | 72% | 0.722 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | -128.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R939 | G937-R939 VanDerWaalsContact C-N 3.26Å; G937-R939 PolarHBondContact O-N 3.03Å |
| 938 | S | 75.8 | Confident | 85.5 | Confident | 41 Ų | 41 | 20.8 Ų | 20.8 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.8 | 173.7 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | I936 D966 T967 | I936-S938 PolarHBondContact O-N 3.37Å; S938-D966 WeakPolarHBondContact CB-OD1 3.4Å; S938-D966 PolarHBondContact OG-OD1 3.13Å; S938-T967 WeakPolarHBondContact O-CG2 3.27Å; S938-T967 PolarHBondContact O-N 2.55Å; S938-T967 PolarHBondContact O-OG1 2.78Å |
| 939 | R | 78.8 | Confident | 84 | Confident | 56 Ų | 56 | 23 Ų | 23 | 21% | 0.211 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.9 | -167.7 | -69.6 | 179.8 | -179.5 | 152.4 | 6 | 113.7 | A935 I936 G937 Y941 Y964 L965 D966 | A935-R939 CarbonylContact C-O 3.55Å; A935-R939 VanDerWaalsContact CA-O 3.31Å; A935-R939 WeakPolarHBondContact CA-O 3.41Å; I936-R939 PolarHBondContact N-O 2.86Å; I936-R939 PolarHBondContact O-N 3.1Å; G937-R939 VanDerWaalsContact C-N 3.26Å; G937-R939 PolarHBondContact O-N 3.03Å; R939-Y941 HydrophobicContact CB-CD2 4.16Å; R939-Y941 HydrophobicContact CB-CE2 3.39Å; R939-Y941 WeakPolarHBondContact CD-OH 3.49Å; R939-Y941 HydrophobicContact CG-CE2 4.47Å; R939-Y964 HydrophobicContact CG-CD2 4.26Å; R939-L965 CarbonylContact C-O 3.55Å; R939-L965 VanDerWaalsContact CA-O 3.25Å; R939-L965 WeakPolarHBondContact CA-O 3.34Å; R939-D966 HydrophobicContact CG-CB 4.08Å; R939-D966 IonicContact CZ-OD2 3.49Å; R939-D966 IonicContact NE-OD2 3.32Å; R939-D966 PolarHBondContact NE-OD2 1.89Å; R939-D966 IonicContact NH2-OD2 2.74Å; R939-D966 PolarHBondContact NH2-OD2 3.38Å |
| 940 | M | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.4 | 168.8 | -170.5 | 177.4 | 69.8 | 0 | 0 | 109.1 | N870 I872 F879 L902 A933 V934 I942 Y964 L965 | N870-M940 HydrophobicContact CB-SD 4.26Å; N870-M940 WeakPolarHBondContact OD1-CG 3.49Å; N870-M940 PolarHBondContact OD1-SD 2.97Å; I872-M940 HydrophobicContact CD1-CB 3.93Å; F879-M940 HydrophobicContact CB-CE 4.35Å; L902-M940 HydrophobicContact CD1-CE 3.8Å; A933-M940 HydrophobicContact CB-CG 4.31Å; V934-M940 CarbonylContact O-C 3.58Å; V934-M940 WeakPolarHBondContact O-CA 3.33Å; M940-I942 HydrophobicContact CE-CD1 4.07Å; M940-I942 HydrophobicContact CE-CG1 4.35Å; M940-Y964 CarbonylContact O-C 3.55Å; M940-Y964 VanDerWaalsContact O-CA 3.24Å; M940-Y964 WeakPolarHBondContact O-CA 3.46Å; M940-L965 HydrophobicContact CB-CB 4.46Å; M940-L965 HydrophobicContact CE-CD2 4.08Å; M940-L965 PolarHBondContact N-O 3.46Å; M940-L965 PolarHBondContact O-N 2.91Å |
| 941 | Y | 87.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.8 | 179.3 | -66 | -96.2 | 0 | 0 | 0 | 109.8 | V632 A933 V934 I936 R939 W963 Y964 L976 | V632-Y941 HydrophobicContact CG1-CD1 4.18Å; V632-Y941 HydrophobicContact CG1-CD2 4.04Å; V632-Y941 HydrophobicContact CG1-CE1 3.58Å; V632-Y941 HydrophobicContact CG1-CE2 3.42Å; V632-Y941 VanDerWaalsContact CG1-CE2 3.42Å; V632-Y941 HydrophobicContact CG1-CG 4.39Å; V632-Y941 WeakPolarHBondContact CG1-OH 3.33Å; A933-Y941 CarbonylContact C-O 3.56Å; A933-Y941 WeakPolarHBondContact CA-O 3.33Å; V934-Y941 PolarHBondContact N-O 2.98Å; V934-Y941 PolarHBondContact O-N 2.99Å; I936-Y941 HydrophobicContact CB-CE2 4.32Å; R939-Y941 HydrophobicContact CB-CD2 4.16Å; R939-Y941 HydrophobicContact CB-CE2 3.39Å; R939-Y941 WeakPolarHBondContact CD-OH 3.49Å; R939-Y941 HydrophobicContact CG-CE2 4.47Å; Y941-W963 CarbonylContact C-O 3.48Å; Y941-W963 WeakPolarHBondContact CA-O 3.19Å; Y941-Y964 HydrophobicContact CE1-CG 4.25Å; Y941-L976 HydrophobicContact CD1-CD1 3.86Å; Y941-L976 HydrophobicContact CE1-CD1 3.84Å |
| 942 | I | 89.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.3 | -178.9 | -60.8 | 156.1 | 0 | 0 | 0 | 108.8 | F879 P925 A933 M940 M962 W963 | F879-I942 HydrophobicContact CD1-CD1 3.62Å; F879-I942 HydrophobicContact CD1-CG1 4.25Å; F879-I942 HydrophobicContact CD1-CG2 4.24Å; F879-I942 HydrophobicContact CD2-CD1 4.34Å; F879-I942 HydrophobicContact CE1-CD1 3.91Å; F879-I942 HydrophobicContact CE1-CG2 4.19Å; F879-I942 HydrophobicContact CG-CD1 3.87Å; F879-I942 HydrophobicContact CZ-CD1 4.39Å; P925-I942 HydrophobicContact CG-CD1 4.49Å; A933-I942 HydrophobicContact CB-CG1 3.99Å; M940-I942 HydrophobicContact CE-CD1 4.07Å; M940-I942 HydrophobicContact CE-CG1 4.35Å; I942-M962 WeakPolarHBondContact O-CA 3.37Å; I942-W963 HydrophobicContact CB-CB 4.42Å; I942-W963 PolarHBondContact N-O 3.47Å; I942-W963 PolarHBondContact O-N 2.8Å |
| 943 | W | 89.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.5 | 177.6 | -171.1 | 63.7 | 0 | 0 | 0 | 114.1 | P598 R601 H604 M613 I615 W649 S932 G960 M962 | P598-W943 HydrophobicContact CB-CH2 3.98Å; P598-W943 HydrophobicContact CB-CZ2 3.86Å; P598-W943 HydrophobicContact CG-CH2 4.08Å; P598-W943 HydrophobicContact CG-CZ2 3.49Å; P598-W943 VanDerWaalsContact CG-CZ2 3.49Å; R601-W943 HydrophobicContact CG-CH2 3.79Å; R601-W943 HydrophobicContact CG-CZ3 3.79Å; H604-W943 AromaticContact CD2-CE3 3.85Å; H604-W943 AromaticContact CD2-CZ3 3.91Å; H604-W943 PolarHBondContact CE1-O 2Å; H604-W943 AromaticContact NE2-CE3 3.34Å; H604-W943 VanDerWaalsContact NE2-CE3 3.34Å; H604-W943 PolarHBondContact NE2-O 3.26Å; M613-W943 HydrophobicContact CE-CB 3.96Å; I615-W943 HydrophobicContact CD1-CB 4.43Å; I615-W943 HydrophobicContact CD1-CD2 3.81Å; I615-W943 HydrophobicContact CD1-CE3 3.44Å; I615-W943 VanDerWaalsContact CD1-CE3 3.44Å; I615-W943 HydrophobicContact CD1-CG 4.22Å; I615-W943 HydrophobicContact CD1-CZ3 4.11Å; I615-W943 HydrophobicContact CG2-CE3 4.04Å; I615-W943 HydrophobicContact CG2-CZ3 3.9Å; W649-W943 AromaticContact CH2-CD1 3.93Å; W649-W943 AromaticContact CH2-CD2 3.93Å; W649-W943 HydrophobicContact CH2-CD2 3.93Å; W649-W943 AromaticContact CH2-CE2 3.84Å; W649-W943 HydrophobicContact CH2-CG 4.03Å; W649-W943 AromaticContact CH2-NE1 3.81Å; W649-W943 AromaticContact CZ2-CD1 3.72Å; W649-W943 HydrophobicContact CZ2-CD2 4.38Å; W649-W943 AromaticContact CZ2-CE2 3.95Å; W649-W943 HydrophobicContact CZ2-CG 4.29Å; W649-W943 AromaticContact CZ2-NE1 3.49Å; S932-W943 PolarHBondContact N-O 3.22Å; S932-W943 PolarHBondContact O-N 2.88Å; W943-G960 PolarHBondContact NE1-O 2.9Å; W943-M962 HydrophobicContact CB-CE 3.77Å; W943-M962 HydrophobicContact CB-SD 3.87Å; W943-M962 HydrophobicContact CG-CE 3.84Å; W943-M962 HydrophobicContact CG-SD 4.38Å |
| 944 | S | 89.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 56.4 | -147 | 169 | -159.8 | 0 | 0 | 0 | 0 | 114.7 | R601 H604 R928 H931 H959 D961 | R601-S944 PolarHBondContact N-OG 2.91Å; R601-S944 PolarHBondContact O-OG 3.28Å; H604-S944 VanDerWaalsContact CE1-C 3.4Å; H604-S944 WeakPolarHBondContact CE1-CB 3.15Å; R928-S944 WeakPolarHBondContact CD-O 3.32Å; R928-S944 PolarHBondContact NH1-O 2.92Å; H931-S944 VanDerWaalsContact CB-O 3.28Å; H931-S944 WeakPolarHBondContact CB-O 3.34Å; S944-H959 WeakPolarHBondContact CA-O 3.36Å; S944-H959 VanDerWaalsContact CB-O 3.26Å; S944-H959 WeakPolarHBondContact CB-O 3.44Å; S944-H959 PolarHBondContact OG-O 2.99Å; S944-D961 PolarHBondContact N-O 3.34Å | ||
| 945 | G | 89.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | 99.9 | 165.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R601 H604 C958 H959 | R601-G945 WeakPolarHBondContact O-CA 3.45Å; R601-G945 PolarHBondContact O-N 3.14Å; H604-G945 PolarHBondContact CE1-N 2.95Å; G945-C958 CarbonylContact O-C 3.57Å; G945-C958 VanDerWaalsContact O-CA 3.27Å; G945-C958 WeakPolarHBondContact O-CA 3.38Å; G945-C958 WeakPolarHBondContact O-CB 3.48Å; G945-H959 PolarHBondContact O-N 3.2Å | ||
| 946 | R | 85.9 | Confident | 70.2 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -92.6 | 141.5 | -174.6 | 177 | 167.3 | 170.1 | -157.5 | -13.5 | 112.8 | H602 C898 R928 A929 R950 | H602-R946 HydrophobicContact CB-CB 3.86Å; C898-R946 PolarHBondContact SG-O 3.48Å; R928-R946 WeakPolarHBondContact CA-O 3.27Å; A929-R946 PolarHBondContact N-O 2.85Å; A929-R946 PolarHBondContact O-N 2.85Å; R946-R950 PolarHBondContact NH2-O 3.33Å |
| 947 | L | 76 | Confident | 69.7 | Low | 53 Ų | 53 | 59.7 Ų | 59.7 | 28% | 0.277 | 31% | 0.311 | S | S | . | . | trans | -94.6 | 157.4 | 169.9 | -175.8 | 75.2 | 0 | 0 | 0 | 110.3 | T957 | L947-T957 PolarHBondContact N-O 2.68Š| ||
| 948 | G | 64.5 | Low | 69.8 | Low | 18 Ų | 18 | 57.5 Ų | 57.5 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 119.3 | -165.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W882 | W882-G948 WeakPolarHBondContact CH2-O 3.46Å; W882-G948 WeakPolarHBondContact CZ3-O 3.4Å |
| 949 | D | 58 | Low | 69.6 | Low | 48 Ų | 48 | 56.7 Ų | 56.7 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 145.3 | 164.4 | -179 | 7.2 | 0 | 0 | 0 | 108.4 | Y896 D951 S952 | Y896-D949 VanDerWaalsContact O-OD1 3.06Å; D949-D951 VanDerWaalsContact C-N 3.27Å; D949-D951 PolarHBondContact O-N 2.92Å; D949-S952 PolarHBondContact N-OG 2.95Å; D949-S952 PolarHBondContact O-N 3.13Å; D949-S952 VanDerWaalsContact O-N 3.15Å; D949-S952 PolarHBondContact O-OG 2.91Å |
| 950 | R | 54.2 | Low | 69.3 | Low | 126 Ų | 126 | 55.9 Ų | 55.9 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -47.9 | -168.6 | -176.2 | -175.2 | 178.4 | 165.3 | -1 | 112.2 | W882 R946 | W882-R950 HydrophobicContact CE3-CB 4.46Å; W882-R950 HydrophobicContact CH2-CB 4.18Å; W882-R950 HydrophobicContact CZ2-CB 4.49Å; W882-R950 HydrophobicContact CZ3-CB 4.15Å; W882-R950 VanDerWaalsContact CZ3-N 3.35Å; R946-R950 PolarHBondContact NH2-O 3.33Å |
| 951 | D | 51.2 | Low | 68.8 | Low | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.1 | -169.5 | -53.3 | -39.1 | 0 | 0 | 0 | 112.8 | D949 V953 | D949-D951 VanDerWaalsContact C-N 3.27Å; D949-D951 PolarHBondContact O-N 2.92Å; D951-V953 PolarHBondContact O-N 3.26Å |
| 952 | S | 50.5 | Low | 68.5 | Low | 30 Ų | 30 | 56.3 Ų | 56.3 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | trans | -72.4 | 93.9 | -177.7 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | D949 K954 N955 | D949-S952 PolarHBondContact N-OG 2.95Å; D949-S952 PolarHBondContact O-N 3.13Å; D949-S952 VanDerWaalsContact O-N 3.15Å; D949-S952 PolarHBondContact O-OG 2.91Å; S952-K954 PolarHBondContact O-N 3.13Å; S952-N955 PolarHBondContact O-N 2.9Å | ||
| 953 | V | 47.9 | Very low | 68.2 | Low | 108 Ų | 108 | 56.7 Ų | 56.7 | 66% | 0.655 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -32.2 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | D951 | D951-V953 PolarHBondContact O-N 3.26Š|
| 954 | K | 42 | Very low | 67.6 | Low | 205 Ų | 205 | 58.7 Ų | 58.7 | 89% | 0.891 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.8 | -179.6 | -68.7 | -178.2 | 175.8 | 179.7 | 0 | 114.8 | S952 | S952-K954 PolarHBondContact O-N 3.13Š|
| 955 | N | 48 | Very low | 67 | Low | 82 Ų | 82 | 59.1 Ų | 59.1 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | trans | -116.9 | 63.4 | -175.7 | -77.4 | -29.2 | 0 | 0 | 0 | 112.2 | S952 T957 | S952-N955 PolarHBondContact O-N 2.9Å; N955-T957 PolarHBondContact O-N 2.84Å | ||
| 956 | R | 57.4 | Low | 66.3 | Low | 167 Ų | 167 | 59.8 Ų | 59.8 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | trans | -84.9 | 28.7 | 172.4 | -59.7 | -173.2 | -174.5 | -166 | 0.5 | 113.3 | ||||
| 957 | T | 66.5 | Low | 65.8 | Low | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | trans | -83.6 | 136.2 | -173.7 | 45.4 | 0 | 0 | 0 | 0 | 112 | L947 N955 | L947-T957 PolarHBondContact N-O 2.68Å; N955-T957 PolarHBondContact O-N 2.84Å | ||
| 958 | C | 77.8 | Confident | 65.4 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 152.4 | 168.9 | -63 | 0 | 0 | 0 | 0 | 109.8 | A600 G945 | A600-C958 HydrophobicContact CB-CB 3.86Å; A600-C958 WeakPolarHBondContact CB-O 3.41Å; G945-C958 CarbonylContact O-C 3.57Å; G945-C958 VanDerWaalsContact O-CA 3.27Å; G945-C958 WeakPolarHBondContact O-CA 3.38Å; G945-C958 WeakPolarHBondContact O-CB 3.48Å |
| 959 | H | 72.4 | Confident | 65.3 | Low | 24 Ų | 24 | 63.2 Ų | 63.2 | 11% | 0.111 | 33% | 0.328 | C | S | . | . | trans | -87.8 | 146.3 | 173.1 | -63 | -48.8 | 0 | 0 | 0 | 111.3 | A600 R926 S944 G945 D961 | A600-H959 VanDerWaalsContact CB-C 3.46Å; A600-H959 VanDerWaalsContact CB-O 3.3Å; A600-H959 WeakPolarHBondContact CB-O 3.39Å; R926-H959 WeakPolarHBondContact CB-NE2 3.46Å; S944-H959 WeakPolarHBondContact CA-O 3.36Å; S944-H959 VanDerWaalsContact CB-O 3.26Å; S944-H959 WeakPolarHBondContact CB-O 3.44Å; S944-H959 PolarHBondContact OG-O 2.99Å; G945-H959 PolarHBondContact O-N 3.2Å; H959-D961 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 960 | G | 71.8 | Confident | 65.2 | Low | 38 Ų | 38 | 64.1 Ų | 64.1 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | trans | -102.2 | 6.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | W943 | W943-G960 PolarHBondContact NE1-O 2.9Š| ||
| 961 | D | 76.1 | Confident | 64.9 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | trans | -80.9 | 154.6 | -170.6 | 60.5 | -8.9 | 0 | 0 | 0 | 113.4 | R928 S944 H959 W963 | R928-D961 IonicContact CZ-OD1 3.65Å; R928-D961 VanDerWaalsContact CZ-OD1 3.31Å; R928-D961 IonicContact CZ-OD2 2.67Å; R928-D961 IonicContact NH1-OD1 2.68Å; R928-D961 PolarHBondContact NH1-OD1 2.73Å; R928-D961 IonicContact NH1-OD2 3.96Å; R928-D961 VanDerWaalsContact NH2-CG 3.34Å; R928-D961 IonicContact NH2-OD1 3.47Å; R928-D961 PolarHBondContact NH2-OD1 3.25Å; R928-D961 IonicContact NH2-OD2 3.15Å; R928-D961 PolarHBondContact NH2-OD2 2.65Å; S944-D961 PolarHBondContact N-O 3.34Å; H959-D961 WeakPolarHBondContact CB-OD1 3.38Å; D961-W963 PolarHBondContact OD2-NE1 2.97Å | ||
| 962 | M | 81 | Confident | 64.7 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.3 | 174.5 | -178.6 | 68.4 | 78 | 0 | 0 | 108.5 | M613 F630 W649 I942 W943 L976 | M613-M962 HydrophobicContact CE-CE 4.26Å; M613-M962 HydrophobicContact SD-CE 3.63Å; M613-M962 HydrophobicContact SD-SD 4.28Å; F630-M962 HydrophobicContact CD1-CE 4.34Å; W649-M962 HydrophobicContact CH2-CE 3.7Å; W649-M962 HydrophobicContact CZ2-CE 3.67Å; I942-M962 WeakPolarHBondContact O-CA 3.37Å; W943-M962 HydrophobicContact CB-CE 3.77Å; W943-M962 HydrophobicContact CB-SD 3.87Å; W943-M962 HydrophobicContact CG-CE 3.84Å; W943-M962 HydrophobicContact CG-SD 4.38Å; M962-L976 HydrophobicContact CB-CB 4.14Å; M962-L976 HydrophobicContact CG-CB 4.03Å; M962-L976 HydrophobicContact CG-CD1 3.55Å; M962-L976 HydrophobicContact CG-CG 4.42Å; M962-L976 PolarHBondContact O-N 3.43Å |
| 963 | W | 81.7 | Confident | 65 | Low | 13 Ų | 13 | 60.2 Ų | 60.2 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155.3 | 177.7 | -71.4 | 79.6 | 0 | 0 | 0 | 110.1 | K924 P925 Y941 I942 D961 V973 Q975 | K924-W963 WeakPolarHBondContact O-CH2 3.25Å; P925-W963 HydrophobicContact CB-CB 4.45Å; P925-W963 HydrophobicContact CB-CD2 3.74Å; P925-W963 HydrophobicContact CB-CE3 4.27Å; P925-W963 HydrophobicContact CB-CG 3.79Å; P925-W963 HydrophobicContact CG-CB 4.05Å; P925-W963 HydrophobicContact CG-CD2 3.65Å; P925-W963 HydrophobicContact CG-CE3 3.77Å; P925-W963 HydrophobicContact CG-CG 3.77Å; P925-W963 HydrophobicContact CG-CZ3 4.46Å; Y941-W963 CarbonylContact C-O 3.48Å; Y941-W963 WeakPolarHBondContact CA-O 3.19Å; I942-W963 HydrophobicContact CB-CB 4.42Å; I942-W963 PolarHBondContact N-O 3.47Å; I942-W963 PolarHBondContact O-N 2.8Å; D961-W963 PolarHBondContact OD2-NE1 2.97Å; W963-V973 HydrophobicContact CE3-CG1 4Å; W963-V973 HydrophobicContact CZ3-CG1 4.24Å; W963-Q975 HydrophobicContact CD2-CB 3.92Å; W963-Q975 HydrophobicContact CD2-CG 4.1Å; W963-Q975 HydrophobicContact CE3-CB 3.87Å; W963-Q975 HydrophobicContact CH2-CB 3.77Å; W963-Q975 HydrophobicContact CH2-CG 4.36Å; W963-Q975 HydrophobicContact CZ2-CB 3.81Å; W963-Q975 HydrophobicContact CZ2-CG 3.87Å; W963-Q975 HydrophobicContact CZ3-CB 3.81Å |
| 964 | Y | 78.7 | Confident | 65 | Low | 42 Ų | 42 | 56.8 Ų | 56.8 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.7 | 163.7 | 77.1 | -82.3 | 0 | 0 | 0 | 112.9 | R939 M940 Y941 D966 S974 L976 | R939-Y964 HydrophobicContact CG-CD2 4.26Å; M940-Y964 CarbonylContact O-C 3.55Å; M940-Y964 VanDerWaalsContact O-CA 3.24Å; M940-Y964 WeakPolarHBondContact O-CA 3.46Å; Y941-Y964 HydrophobicContact CE1-CG 4.25Å; Y964-D966 HydrophobicContact CD2-CB 4.47Å; Y964-D966 HydrophobicContact CE2-CB 4.28Å; Y964-S974 WeakPolarHBondContact CD1-O 3.36Å; Y964-S974 PolarHBondContact N-O 3.12Å; Y964-S974 PolarHBondContact O-N 3.29Å; Y964-L976 HydrophobicContact CD1-CD1 3.83Å; Y964-L976 HydrophobicContact CD1-CG 3.87Å; Y964-L976 HydrophobicContact CE1-CG 4.26Å |
| 965 | L | 76.4 | Confident | 65.3 | Low | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.2 | 166.9 | 168.6 | 73.4 | 0 | 0 | 0 | 107.3 | Y877 L902 R939 M940 T967 V973 | Y877-L965 HydrophobicContact CD1-CD2 4.02Å; Y877-L965 HydrophobicContact CE1-CD2 4.29Å; L902-L965 HydrophobicContact CD1-CD2 4.38Å; L902-L965 HydrophobicContact CD2-CD1 4.18Å; L902-L965 HydrophobicContact CD2-CD2 3.72Å; R939-L965 CarbonylContact C-O 3.55Å; R939-L965 VanDerWaalsContact CA-O 3.25Å; R939-L965 WeakPolarHBondContact CA-O 3.34Å; M940-L965 HydrophobicContact CB-CB 4.46Å; M940-L965 HydrophobicContact CE-CD2 4.08Å; M940-L965 PolarHBondContact N-O 3.46Å; M940-L965 PolarHBondContact O-N 2.91Å; L965-T967 HydrophobicContact CD2-CG2 4.19Å; L965-T967 HydrophobicContact CG-CG2 4.41Å; L965-V973 HydrophobicContact CD1-CG2 3.68Å |
| 966 | D | 74.9 | Confident | 65.4 | Low | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 105.7 | 170.2 | -159 | -27.6 | 0 | 0 | 0 | 109.6 | S938 R939 Y964 A968 K969 | S938-D966 WeakPolarHBondContact CB-OD1 3.4Å; S938-D966 PolarHBondContact OG-OD1 3.13Å; R939-D966 HydrophobicContact CG-CB 4.08Å; R939-D966 IonicContact CZ-OD2 3.49Å; R939-D966 IonicContact NE-OD2 3.32Å; R939-D966 PolarHBondContact NE-OD2 1.89Å; R939-D966 IonicContact NH2-OD2 2.74Å; R939-D966 PolarHBondContact NH2-OD2 3.38Å; Y964-D966 HydrophobicContact CD2-CB 4.47Å; Y964-D966 HydrophobicContact CE2-CB 4.28Å; D966-A968 PolarHBondContact O-N 3.41Å; D966-A968 PolarHBondContact OD1-N 3.39Å; D966-K969 CarbonylContact O-C 3.6Å; D966-K969 PolarHBondContact O-N 2.87Å |
| 967 | T | 74.1 | Confident | 64.6 | Low | 30 Ų | 30 | 44.7 Ų | 44.7 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.1 | -174.3 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | I872 Y877 S938 L965 | I872-T967 HydrophobicContact CB-CG2 4.42Å; I872-T967 HydrophobicContact CD1-CG2 3.94Å; I872-T967 HydrophobicContact CG2-CG2 4.2Å; I872-T967 WeakPolarHBondContact CG2-OG1 3.38Å; Y877-T967 HydrophobicContact CD2-CG2 4.3Å; Y877-T967 HydrophobicContact CE1-CG2 4.02Å; Y877-T967 HydrophobicContact CE2-CG2 3.67Å; S938-T967 WeakPolarHBondContact O-CG2 3.27Å; S938-T967 PolarHBondContact O-N 2.55Å; S938-T967 PolarHBondContact O-OG1 2.78Å; L965-T967 HydrophobicContact CD2-CG2 4.19Å; L965-T967 HydrophobicContact CG-CG2 4.41Å |
| 968 | A | 68.5 | Low | 63.2 | Low | 74 Ų | 74 | 44.2 Ų | 44.2 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D966 | D966-A968 PolarHBondContact O-N 3.41Å; D966-A968 PolarHBondContact OD1-N 3.39Å |
| 969 | K | 63 | Low | 60.9 | Low | 91 Ų | 91 | 47.1 Ų | 47.1 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -135.7 | 69.3 | 173.8 | -65 | -170.2 | -176.8 | -177.6 | 0 | 108.7 | D966 D971 V972 D1000 | D966-K969 CarbonylContact O-C 3.6Å; D966-K969 PolarHBondContact O-N 2.87Å; K969-D971 PolarHBondContact O-N 3.17Å; K969-V972 HydrophobicContact CB-CB 4.4Å; K969-V972 HydrophobicContact CB-CG2 4.13Å; K969-V972 WeakPolarHBondContact O-CA 3.24Å; K969-V972 WeakPolarHBondContact O-CB 3.26Å; K969-V972 PolarHBondContact O-N 2.93Å; K969-D1000 IonicContact NZ-OD1 3.65Å; K969-D1000 PolarHBondContact NZ-OD1 3.13Å; K969-D1000 IonicContact NZ-OD2 3.63Å; K969-D1000 PolarHBondContact NZ-OD2 3.31Å |
| 970 | P | 54.6 | Low | 58.9 | Low | 66 Ų | 66 | 57 Ų | 57 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18 | -165 | 25.8 | -36.1 | 0 | 0 | 0 | 115 | V972 | P970-V972 PolarHBondContact O-N 3.21Š|
| 971 | D | 47.9 | Very low | 56.8 | Low | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.7 | 172.3 | -49.6 | -64.4 | 0 | 0 | 0 | 112.5 | K969 | K969-D971 PolarHBondContact O-N 3.17Š|
| 972 | V | 48.6 | Very low | 54.5 | Low | 60 Ų | 60 | 59.5 Ų | 59.5 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | trans | -107.1 | 82.3 | -179.7 | -171 | 0 | 0 | 0 | 0 | 110.7 | K969 P970 | K969-V972 HydrophobicContact CB-CB 4.4Å; K969-V972 HydrophobicContact CB-CG2 4.13Å; K969-V972 WeakPolarHBondContact O-CA 3.24Å; K969-V972 WeakPolarHBondContact O-CB 3.26Å; K969-V972 PolarHBondContact O-N 2.93Å; P970-V972 PolarHBondContact O-N 3.21Å | ||
| 973 | V | 55.2 | Low | 52.1 | Low | 17 Ų | 17 | 62.7 Ų | 62.7 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 137.9 | 153.5 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | I918 A923 W963 L965 | I918-V973 HydrophobicContact CD1-CB 4.29Å; I918-V973 HydrophobicContact CD1-CG2 3.56Å; I918-V973 HydrophobicContact CG1-CG2 4.22Å; A923-V973 VanDerWaalsContact O-CG1 3.3Å; A923-V973 WeakPolarHBondContact O-CG1 3.22Å; W963-V973 HydrophobicContact CE3-CG1 4Å; W963-V973 HydrophobicContact CZ3-CG1 4.24Å; L965-V973 HydrophobicContact CD1-CG2 3.68Å |
| 974 | S | 48.5 | Very low | 49.8 | Very low | 36 Ų | 36 | 68 Ų | 68 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 131.1 | -178.5 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | Y964 | Y964-S974 WeakPolarHBondContact CD1-O 3.36Å; Y964-S974 PolarHBondContact N-O 3.12Å; Y964-S974 PolarHBondContact O-N 3.29Å |
| 975 | Q | 48 | Very low | 47.7 | Very low | 106 Ų | 106 | 66.8 Ų | 66.8 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.1 | 163.8 | -167 | 173.9 | 2 | 0 | 0 | 108 | W963 S977 | W963-Q975 HydrophobicContact CD2-CB 3.92Å; W963-Q975 HydrophobicContact CD2-CG 4.1Å; W963-Q975 HydrophobicContact CE3-CB 3.87Å; W963-Q975 HydrophobicContact CH2-CB 3.77Å; W963-Q975 HydrophobicContact CH2-CG 4.36Å; W963-Q975 HydrophobicContact CZ2-CB 3.81Å; W963-Q975 HydrophobicContact CZ2-CG 3.87Å; W963-Q975 HydrophobicContact CZ3-CB 3.81Å; Q975-S977 PolarHBondContact O-N 2.96Å; Q975-S977 VanDerWaalsContact O-N 3.08Å |
| 976 | L | 50.3 | Low | 45.9 | Very low | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | trans | -72.7 | 104.8 | 167.4 | -96.2 | 144.8 | 0 | 0 | 0 | 107.8 | Y941 M962 Y964 L978 | Y941-L976 HydrophobicContact CD1-CD1 3.86Å; Y941-L976 HydrophobicContact CE1-CD1 3.84Å; M962-L976 HydrophobicContact CB-CB 4.14Å; M962-L976 HydrophobicContact CG-CB 4.03Å; M962-L976 HydrophobicContact CG-CD1 3.55Å; M962-L976 HydrophobicContact CG-CG 4.42Å; M962-L976 PolarHBondContact O-N 3.43Å; Y964-L976 HydrophobicContact CD1-CD1 3.83Å; Y964-L976 HydrophobicContact CD1-CG 3.87Å; Y964-L976 HydrophobicContact CE1-CG 4.26Å; L976-L978 PolarHBondContact O-N 2.74Å | ||
| 977 | S | 39.8 | Very low | 44.2 | Very low | 84 Ų | 84 | 69.1 Ų | 69.1 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | trans | -56.9 | 104.4 | 162.9 | 45.9 | 0 | 0 | 0 | 0 | 108.1 | Q975 I979 | Q975-S977 PolarHBondContact O-N 2.96Å; Q975-S977 VanDerWaalsContact O-N 3.08Å; S977-I979 VanDerWaalsContact C-N 3.32Å; S977-I979 WeakPolarHBondContact O-CG1 3.28Å; S977-I979 PolarHBondContact O-N 2.95Å | ||
| 978 | L | 37.3 | Very low | 42.4 | Very low | 59 Ų | 59 | 70 Ų | 70 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | trans | -67.4 | 95.7 | 171.5 | -74 | 160.3 | 0 | 0 | 0 | 106.5 | L597 F630 L976 R980 | L597-L978 HydrophobicContact CD2-CD1 3.91Å; L597-L978 HydrophobicContact CD2-CD2 4.25Å; F630-L978 HydrophobicContact CE2-CD2 4.32Å; L976-L978 PolarHBondContact O-N 2.74Å; L978-R980 PolarHBondContact O-N 3.19Å | ||
| 979 | I | 31 | Very low | 40.9 | Very low | 86 Ų | 86 | 67.9 Ų | 67.9 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | trans | -54.9 | 108.3 | -164.8 | -59.5 | 177 | 0 | 0 | 0 | 109.9 | S977 | S977-I979 VanDerWaalsContact C-N 3.32Å; S977-I979 WeakPolarHBondContact O-CG1 3.28Å; S977-I979 PolarHBondContact O-N 2.95Å | ||
| 980 | R | 29.2 | Very low | 39.9 | Very low | 230 Ų | 230 | 68.1 Ų | 68.1 | 87% | 0.868 | 37% | 0.368 | S | S | * | . | trans | -66.7 | 133.3 | 163.8 | -71.1 | -177.8 | 173.2 | -175.7 | -2.1 | 107.1 | L978 A982 | L978-R980 PolarHBondContact O-N 3.19Å; R980-A982 PolarHBondContact O-N 2.74Å | ||
| 981 | S | 28 | Very low | 39 | Very low | 61 Ų | 61 | 70.1 Ų | 70.1 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.6 | 87.8 | -168.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 982 | A | 27.8 | Very low | 38.4 | Very low | 53 Ų | 53 | 68.2 Ų | 68.2 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | trans | -151.9 | 13.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | R980 N984 | R980-A982 PolarHBondContact O-N 2.74Å; A982-N984 VanDerWaalsContact C-N 3.34Å; A982-N984 PolarHBondContact O-N 2.82Å | ||
| 983 | V | 31.1 | Very low | 37.8 | Very low | 68 Ų | 68 | 69.5 Ų | 69.5 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | trans | -71.4 | 84.1 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S985 V986 | V983-S985 VanDerWaalsContact C-N 3.31Å; V983-S985 WeakPolarHBondContact CG1-O 3.34Å; V983-S985 PolarHBondContact O-N 2.72Å; V983-V986 HydrophobicContact CG1-CG2 3.73Å | ||
| 984 | N | 33.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 75 Ų | 75 | 66% | 0.663 | 41% | 0.405 | S | S | * | . | trans | -72.8 | -21.7 | -179.6 | -75.4 | -25.4 | 0 | 0 | 0 | 113.4 | A982 Y1040 | A982-N984 VanDerWaalsContact C-N 3.34Å; A982-N984 PolarHBondContact O-N 2.82Å; N984-Y1040 WeakPolarHBondContact O-CD2 3.25Å | ||
| 985 | S | 34.8 | Very low | 36 | Very low | 18 Ų | 18 | 79 Ų | 79 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 146.7 | 171.3 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | V983 L1038 | V983-S985 VanDerWaalsContact C-N 3.31Å; V983-S985 WeakPolarHBondContact CG1-O 3.34Å; V983-S985 PolarHBondContact O-N 2.72Å; S985-L1038 VanDerWaalsContact CA-O 3.3Å; S985-L1038 WeakPolarHBondContact CA-O 3.22Å |
| 986 | V | 37.3 | Very low | 35.2 | Very low | 28 Ų | 28 | 77.8 Ų | 77.8 | 17% | 0.17 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.8 | 167.7 | 179 | 0 | 0 | 0 | 0 | 107.9 | V983 L988 R1037 L1038 | V983-V986 HydrophobicContact CG1-CG2 3.73Å; V986-L988 HydrophobicContact CG1-CD2 4.35Å; V986-L988 HydrophobicContact CG1-CG 4.4Å; V986-R1037 WeakPolarHBondContact O-CA 3.47Å; V986-L1038 PolarHBondContact O-N 3.41Å |
| 987 | E | 40 | Very low | 34.3 | Very low | 43 Ų | 43 | 86.1 Ų | 86.1 | 20% | 0.201 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.2 | 169.3 | -55.8 | -142.7 | 99.4 | 0 | 0 | 110.1 | R1037 | E987-R1037 HydrophobicContact CG-CG 4.43Å; E987-R1037 IonicContact OE1-CZ 3.32Å; E987-R1037 IonicContact OE1-NE 2.83Å; E987-R1037 PolarHBondContact OE1-NE 3.17Å; E987-R1037 IonicContact OE1-NH2 2.7Å; E987-R1037 PolarHBondContact OE1-NH2 2.9Å; E987-R1037 IonicContact OE2-CZ 3.66Å; E987-R1037 IonicContact OE2-NH2 3.14Å; E987-R1037 PolarHBondContact OE2-NH2 3.47Å |
| 988 | L | 35.3 | Very low | 34.1 | Very low | 50 Ų | 50 | 86.3 Ų | 86.3 | 26% | 0.262 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.4 | 172.5 | -65.7 | 177.4 | 0 | 0 | 0 | 108.8 | V986 L1001 V1003 L1036 | V986-L988 HydrophobicContact CG1-CD2 4.35Å; V986-L988 HydrophobicContact CG1-CG 4.4Å; L988-L1001 HydrophobicContact CD2-CD2 3.96Å; L988-V1003 HydrophobicContact CD2-CG2 4.04Å; L988-L1036 HydrophobicContact CB-CB 4.48Å; L988-L1036 HydrophobicContact CD1-CD2 4.45Å; L988-L1036 PolarHBondContact N-O 2.93Å; L988-L1036 PolarHBondContact O-N 3.37Å |
| 989 | C | 36.7 | Very low | 33.8 | Very low | 29 Ų | 29 | 86.8 Ų | 86.8 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.4 | -177.9 | -65.7 | 0 | 0 | 0 | 0 | 110 | ||
| 990 | W | 42.8 | Very low | 33.8 | Very low | 96 Ų | 96 | 88.5 Ų | 88.5 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | trans | -139.1 | 147 | 176.1 | 58.7 | 84 | 0 | 0 | 0 | 110.9 | G1034 L1036 F1076 | W990-G1034 WeakPolarHBondContact CZ2-O 3.27Å; W990-L1036 HydrophobicContact CZ3-CB 4.48Å; W990-F1076 AromaticContact CH2-CE1 3.63Å; W990-F1076 HydrophobicContact CH2-CE1 3.63Å; W990-F1076 AromaticContact CH2-CZ 3.56Å; W990-F1076 HydrophobicContact CH2-CZ 3.56Å; W990-F1076 HydrophobicContact CZ2-CD1 4.5Å; W990-F1076 AromaticContact CZ2-CE1 3.33Å; W990-F1076 HydrophobicContact CZ2-CE1 3.33Å; W990-F1076 AromaticContact CZ2-CZ 3.56Å; W990-F1076 HydrophobicContact CZ2-CZ 3.56Å | ||
| 991 | H | 36.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 83.2 Ų | 83.2 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | trans | -118.7 | 133.4 | 178.2 | -62.7 | -74.5 | 0 | 0 | 0 | 110.7 | ||||
| 992 | P | 34.7 | Very low | 34.2 | Very low | 66 Ų | 66 | 86 Ų | 86 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | trans | -74 | 132.7 | 167.9 | -9.2 | 25.2 | 0 | 0 | 0 | 110.7 | T1031 K1032 | P992-T1031 HydrophobicContact CG-CG2 4.18Å; P992-K1032 WeakPolarHBondContact CG-O 3.49Å | ||
| 993 | L | 35.3 | Very low | 34.4 | Very low | 86 Ų | 86 | 87.3 Ų | 87.3 | 45% | 0.45 | 48% | 0.482 | S | S | . | . | trans | -100 | 154.2 | 166.6 | -71.6 | 175.2 | 0 | 0 | 0 | 111 | N995 | L993-N995 PolarHBondContact O-N 2.74Š| ||
| 994 | P | 30.9 | Very low | 34.7 | Very low | 133 Ų | 133 | 88.7 Ų | 88.7 | 86% | 0.864 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -2 | -168.5 | -22.9 | 35.1 | 0 | 0 | 0 | 116.8 | ||
| 995 | N | 35.8 | Very low | 34.6 | Very low | 119 Ų | 119 | 86.7 Ų | 86.7 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | 30.6 | -164.5 | 49.9 | 8.5 | 0 | 0 | 0 | 113.3 | L993 R997 | L993-N995 PolarHBondContact O-N 2.74Å; N995-R997 PolarHBondContact O-N 2.82Å; N995-R997 VanDerWaalsContact O-N 3.11Å |
| 996 | G | 31.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 89 Ų | 89 | 84% | 0.835 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 72.9 | 3.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 997 | R | 30.9 | Very low | 33.9 | Very low | 187 Ų | 187 | 93 Ų | 93 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | trans | -99.9 | 119.3 | 172 | -64 | -179.6 | 178.2 | -177.9 | -0.3 | 109.5 | N995 | N995-R997 PolarHBondContact O-N 2.82Å; N995-R997 VanDerWaalsContact O-N 3.11Å | ||
| 998 | T | 34.5 | Very low | 33.3 | Very low | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | trans | -80.9 | 136.3 | 170.1 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 999 | S | 32.3 | Very low | 32.8 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | trans | -90 | -177.7 | -178.5 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1000 | D | 30.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 109.9 Ų | 109.9 | 66% | 0.658 | 61% | 0.605 | S | S | * | * | trans | -46.3 | 136.9 | -174.5 | -74 | -60.5 | 0 | 0 | 0 | 114.3 | K969 K1002 | K969-D1000 IonicContact NZ-OD1 3.65Å; K969-D1000 PolarHBondContact NZ-OD1 3.13Å; K969-D1000 IonicContact NZ-OD2 3.63Å; K969-D1000 PolarHBondContact NZ-OD2 3.31Å; D1000-K1002 PolarHBondContact O-N 2.81Å; D1000-K1002 VanDerWaalsContact O-N 3.07Å | ||
| 1001 | L | 31.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 114.9 Ų | 114.9 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | trans | -76.2 | 95.3 | 177.4 | -163.4 | 132.8 | 0 | 0 | 0 | 110 | L988 V1003 | L988-L1001 HydrophobicContact CD2-CD2 3.96Å; L1001-V1003 HydrophobicContact CD2-CG2 4.26Å; L1001-V1003 PolarHBondContact O-N 3.09Å | ||
| 1002 | K | 33.9 | Very low | 30.7 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 52% | 0.517 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.2 | -177 | -139.9 | -174.7 | -177.9 | -159 | 0 | 110.3 | D1000 E1004 | D1000-K1002 PolarHBondContact O-N 2.81Å; D1000-K1002 VanDerWaalsContact O-N 3.07Å; K1002-E1004 HydrophobicContact CD-CG 4.33Å; K1002-E1004 WeakPolarHBondContact CD-OE1 3.35Å; K1002-E1004 WeakPolarHBondContact CE-OE1 3.44Å; K1002-E1004 HydrophobicContact CG-CG 4.39Å; K1002-E1004 IonicContact NZ-OE1 2.73Å; K1002-E1004 PolarHBondContact NZ-OE1 2.84Å |
| 1003 | V | 33 | Very low | 30.2 | Very low | 81 Ų | 81 | 118.7 Ų | 118.7 | 49% | 0.491 | 67% | 0.672 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 116 | 171.8 | 176.3 | 0 | 0 | 0 | 0 | 107.3 | L988 L1001 | L988-V1003 HydrophobicContact CD2-CG2 4.04Å; L1001-V1003 HydrophobicContact CD2-CG2 4.26Å; L1001-V1003 PolarHBondContact O-N 3.09Å |
| 1004 | E | 36.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 45% | 0.449 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 132 | 178.4 | -64.7 | -174.4 | 152.2 | 0 | 0 | 109.7 | K1002 | K1002-E1004 HydrophobicContact CD-CG 4.33Å; K1002-E1004 WeakPolarHBondContact CD-OE1 3.35Å; K1002-E1004 WeakPolarHBondContact CE-OE1 3.44Å; K1002-E1004 HydrophobicContact CG-CG 4.39Å; K1002-E1004 IonicContact NZ-OE1 2.73Å; K1002-E1004 PolarHBondContact NZ-OE1 2.84Å |
| 1005 | S | 31.7 | Very low | 29.4 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | trans | -106.8 | 109.7 | -178.9 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | D1007 | S1005-D1007 PolarHBondContact O-N 2.94Å; S1005-D1007 VanDerWaalsContact O-N 3.09Å | ||
| 1006 | S | 32.3 | Very low | 28.8 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 47% | 0.469 | 71% | 0.708 | S | S | . | * | trans | -83.1 | 74.3 | -177.6 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | T1008 | S1006-T1008 PolarHBondContact O-N 3.33Š| ||
| 1007 | D | 25.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | trans | -89 | 60.7 | 176.7 | -75.8 | -20.9 | 0 | 0 | 0 | 112.1 | S1005 | S1005-D1007 PolarHBondContact O-N 2.94Å; S1005-D1007 VanDerWaalsContact O-N 3.09Å | ||
| 1008 | T | 27.2 | Very low | 28.2 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | trans | -147.5 | 104.6 | 170.1 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | S1006 | S1006-T1008 PolarHBondContact O-N 3.33Š| ||
| 1009 | E | 24.3 | Very low | 27.8 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -123.9 | 148.3 | 149.8 | -73.2 | -174.1 | 151.6 | 0 | 0 | 107 | ||||
| 1010 | N | 25 | Very low | 27.4 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | 71.2 | 89.4 | -170 | -52.3 | -26.2 | 0 | 0 | 0 | 116.3 | ||||
| 1011 | E | 25.3 | Very low | 27.3 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | -167.8 | 151 | 106.1 | -105.6 | 177.2 | -170.7 | 0 | 0 | 110.9 | |||||
| 1012 | C | 21.5 | Very low | 27.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -103.2 | 127.2 | -177.7 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1013 | S | 23.8 | Very low | 26.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 178.6 | 157 | 131.2 | 38.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1014 | E | 23 | Very low | 26.6 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -81.9 | 142.9 | 178.7 | -56.5 | 165.3 | 112.9 | 0 | 0 | 111.5 | ||||
| 1015 | K | 26.6 | Very low | 26.1 | Very low | 210 Ų | 210 | 145 Ų | 145 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -162 | 137.2 | 136.9 | -109.1 | 151.3 | -167.7 | 175.1 | 0 | 112.2 | ||||
| 1016 | Q | 23.5 | Very low | 25.9 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 95% | 0.949 | 83% | 0.831 | S | S | * | * | trans | -79.3 | 146.4 | 175.3 | -62.7 | 172 | -7.5 | 0 | 0 | 110 | ||||
| 1017 | G | 25.9 | Very low | 25.7 | Very low | 79 Ų | 79 | 154.2 Ų | 154.2 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | -164 | 100.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | Q | 23.3 | Very low | 25.8 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 85% | 0.852 | S | S | * | * | trans | -81.1 | 139.6 | 172.1 | -68.6 | 179.7 | -13.1 | 0 | 0 | 110.2 | ||||
| 1019 | A | 26.7 | Very low | 25.9 | Very low | 103 Ų | 103 | 156.3 Ų | 156.3 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | trans | -135.4 | 124.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1020 | Q | 24.6 | Very low | 26.3 | Very low | 169 Ų | 169 | 154 Ų | 154 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | trans | -83.3 | 148.5 | 179.6 | -64.5 | 175.5 | -12.9 | 0 | 0 | 110.9 | ||||
| 1021 | L | 29.1 | Very low | 26.7 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -130.7 | 146.7 | 151.5 | -87.1 | 173.7 | 0 | 0 | 0 | 109.3 | ||||
| 1022 | T | 27.4 | Very low | 27.3 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | trans | -105 | -177.4 | -158.1 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1023 | N | 29.2 | Very low | 28 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 73.9 | 71.6 | 169.7 | -59.8 | -5.5 | 0 | 0 | 0 | 117.6 | ||||
| 1024 | G | 26.4 | Very low | 29.1 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | 93.2 | 27.6 | 96.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1025 | Q | 26.4 | Very low | 30.3 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -132.8 | 127.5 | 159.1 | -80.9 | -171.2 | -10.6 | 0 | 0 | 112.3 | ||||
| 1026 | K | 27.1 | Very low | 31.2 | Very low | 217 Ų | 217 | 124 Ų | 124 | 94% | 0.943 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 117.1 | 175.8 | -73.5 | -177.3 | 177.1 | 178 | 0 | 110.4 | ||
| 1027 | V | 27.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 141.2 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1028 | Q | 28.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 117 Ų | 117 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 156.3 | -171.3 | -66.2 | -174.6 | 0.5 | 0 | 0 | 113.9 | N1030 | Q1028-N1030 VanDerWaalsContact C-N 3.29Å; Q1028-N1030 PolarHBondContact O-N 2.92Å |
| 1029 | P | 28 | Very low | 34.3 | Very low | 128 Ų | 128 | 110.9 Ų | 110.9 | 83% | 0.831 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 6.1 | -165.2 | -19 | 34.3 | 0 | 0 | 0 | 117.9 | ||
| 1030 | N | 33.6 | Very low | 35 | Very low | 136 Ų | 136 | 110.4 Ų | 110.4 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 17.9 | -162.2 | -84.9 | -34.9 | 0 | 0 | 0 | 115.9 | Q1028 K1032 | Q1028-N1030 VanDerWaalsContact C-N 3.29Å; Q1028-N1030 PolarHBondContact O-N 2.92Å; N1030-K1032 PolarHBondContact O-N 3.37Å; N1030-K1032 VanDerWaalsContact O-N 3.13Å |
| 1031 | T | 32.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | trans | -76.6 | 98.8 | -174.7 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | P992 | P992-T1031 HydrophobicContact CG-CG2 4.18Š| ||
| 1032 | K | 38.2 | Very low | 36.1 | Very low | 147 Ų | 147 | 104.7 Ų | 104.7 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | trans | -75.3 | 124.7 | -176.7 | -63.1 | 176.1 | -175.7 | 176 | 0 | 112.4 | P992 N1030 | P992-K1032 WeakPolarHBondContact CG-O 3.49Å; N1030-K1032 PolarHBondContact O-N 3.37Å; N1030-K1032 VanDerWaalsContact O-N 3.13Å | ||
| 1033 | V | 35.9 | Very low | 36.7 | Very low | 64 Ų | 64 | 105.4 Ų | 105.4 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | trans | -104.7 | 147.1 | 170.8 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | V1035 S1053 | V1033-V1035 HydrophobicContact CG1-CG2 4.41Å; V1033-S1053 WeakPolarHBondContact O-CB 3.37Å | ||
| 1034 | G | 46.6 | Very low | 36.8 | Very low | 11 Ų | 11 | 100.5 Ų | 100.5 | 11% | 0.113 | 55% | 0.548 | C | S | . | . | trans | -130.5 | 152 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | W990 | W990-G1034 WeakPolarHBondContact CZ2-O 3.27Š| ||
| 1035 | V | 49 | Very low | 37.6 | Very low | 31 Ų | 31 | 98.2 Ų | 98.2 | 19% | 0.188 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.6 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V1033 R1051 | V1033-V1035 HydrophobicContact CG1-CG2 4.41Å; V1035-R1051 HydrophobicContact CB-CB 4.32Å; V1035-R1051 PolarHBondContact N-O 2.83Å; V1035-R1051 VanDerWaalsContact N-O 3.14Å; V1035-R1051 PolarHBondContact O-N 2.85Å |
| 1036 | L | 45.1 | Very low | 38.3 | Very low | 49 Ų | 49 | 92.8 Ų | 92.8 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 113.6 | 167.5 | 174.8 | 62.3 | 0 | 0 | 0 | 109 | L988 W990 P1048 I1050 | L988-L1036 HydrophobicContact CB-CB 4.48Å; L988-L1036 HydrophobicContact CD1-CD2 4.45Å; L988-L1036 PolarHBondContact N-O 2.93Å; L988-L1036 PolarHBondContact O-N 3.37Å; W990-L1036 HydrophobicContact CZ3-CB 4.48Å; L1036-P1048 HydrophobicContact CD1-CB 4.17Å; L1036-I1050 HydrophobicContact CD1-CG1 3.87Å |
| 1037 | R | 49.1 | Very low | 39.5 | Very low | 91 Ų | 91 | 84.1 Ų | 84.1 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.4 | 173.8 | -177.7 | -179.9 | -70.8 | -151.2 | -8.9 | 109.2 | V986 E987 L1039 Q1049 | V986-R1037 WeakPolarHBondContact O-CA 3.47Å; E987-R1037 HydrophobicContact CG-CG 4.43Å; E987-R1037 IonicContact OE1-CZ 3.32Å; E987-R1037 IonicContact OE1-NE 2.83Å; E987-R1037 PolarHBondContact OE1-NE 3.17Å; E987-R1037 IonicContact OE1-NH2 2.7Å; E987-R1037 PolarHBondContact OE1-NH2 2.9Å; E987-R1037 IonicContact OE2-CZ 3.66Å; E987-R1037 IonicContact OE2-NH2 3.14Å; E987-R1037 PolarHBondContact OE2-NH2 3.47Å; R1037-L1039 HydrophobicContact CG-CD2 4.03Å; R1037-Q1049 HydrophobicContact CB-CB 4.37Å; R1037-Q1049 PolarHBondContact N-O 2.86Å; R1037-Q1049 PolarHBondContact O-N 2.9Å |
| 1038 | L | 44.8 | Very low | 40.5 | Very low | 44 Ų | 44 | 80 Ų | 80 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.5 | 172.8 | -67.5 | 176.9 | 0 | 0 | 0 | 109.6 | S985 V986 Y1040 V1046 P1048 | S985-L1038 VanDerWaalsContact CA-O 3.3Å; S985-L1038 WeakPolarHBondContact CA-O 3.22Å; V986-L1038 PolarHBondContact O-N 3.41Å; L1038-Y1040 HydrophobicContact CB-CE2 4.13Å; L1038-V1046 HydrophobicContact CD2-CG1 4.38Å; L1038-P1048 HydrophobicContact CD2-CB 4.36Å |
| 1039 | L | 44.8 | Very low | 41.5 | Very low | 65 Ų | 65 | 74.6 Ų | 74.6 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.3 | 177.1 | -63.6 | 178.8 | 0 | 0 | 0 | 110.7 | R1037 V1046 F1047 Q1049 | R1037-L1039 HydrophobicContact CG-CD2 4.03Å; L1039-V1046 WeakPolarHBondContact O-CA 3.35Å; L1039-F1047 PolarHBondContact N-O 3.31Å; L1039-F1047 PolarHBondContact O-N 2.91Å; L1039-Q1049 HydrophobicContact CD1-CB 4.46Å |
| 1040 | Y | 41.4 | Very low | 42.6 | Very low | 93 Ų | 93 | 70 Ų | 70 | 37% | 0.365 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.5 | 175.3 | -65.4 | -91.6 | 0 | 0 | 0 | 110.6 | N984 L1038 V1046 | N984-Y1040 WeakPolarHBondContact O-CD2 3.25Å; L1038-Y1040 HydrophobicContact CB-CE2 4.13Å; Y1040-V1046 HydrophobicContact CD1-CG2 3.65Å; Y1040-V1046 HydrophobicContact CE1-CG1 4.33Å; Y1040-V1046 HydrophobicContact CE1-CG2 3.72Å |
| 1041 | K | 42.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 70.7 Ų | 70.7 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 154.3 | 173.6 | -71.2 | -162 | -174.2 | 178.5 | 0 | 112.3 | D1043 G1044 S1045 F1047 | K1041-D1043 WeakPolarHBondContact CB-OD1 3.5Å; K1041-D1043 PolarHBondContact O-N 3.39Å; K1041-D1043 VanDerWaalsContact O-N 3.09Å; K1041-G1044 PolarHBondContact O-N 3.15Å; K1041-S1045 PolarHBondContact N-O 3.25Å; K1041-F1047 HydrophobicContact CD-CD2 4.22Å; K1041-F1047 HydrophobicContact CD-CE2 3.71Å; K1041-F1047 VanDerWaalsContact CE-CE2 3.44Å; K1041-F1047 HydrophobicContact CG-CD2 4.26Å; K1041-F1047 HydrophobicContact CG-CE2 4.17Å |
| 1042 | P | 34 | Very low | 44.1 | Very low | 119 Ų | 119 | 68.9 Ų | 68.9 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.3 | 177.1 | -26.5 | 35.7 | 0 | 0 | 0 | 115.6 | G1044 | P1042-G1044 VanDerWaalsContact C-N 3.27Š|
| 1043 | D | 39.5 | Very low | 44.3 | Very low | 123 Ų | 123 | 65.7 Ų | 65.7 | 66% | 0.658 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.6 | 175.2 | 64.6 | 3.5 | 0 | 0 | 0 | 113.7 | K1041 S1045 | K1041-D1043 WeakPolarHBondContact CB-OD1 3.5Å; K1041-D1043 PolarHBondContact O-N 3.39Å; K1041-D1043 VanDerWaalsContact O-N 3.09Å; D1043-S1045 VanDerWaalsContact CG-OG 3.31Å; D1043-S1045 VanDerWaalsContact OD1-CB 3.29Å; D1043-S1045 WeakPolarHBondContact OD1-CB 3.4Å; D1043-S1045 PolarHBondContact OD1-N 3.12Å; D1043-S1045 PolarHBondContact OD1-OG 3.25Å; D1043-S1045 PolarHBondContact OD2-OG 2.85Å |
| 1044 | G | 32.3 | Very low | 45.1 | Very low | 53 Ų | 53 | 66.7 Ų | 66.7 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 84.9 | 5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1041 P1042 | K1041-G1044 PolarHBondContact O-N 3.15Å; P1042-G1044 VanDerWaalsContact C-N 3.27Å |
| 1045 | S | 42 | Very low | 45.1 | Very low | 34 Ų | 34 | 68.3 Ų | 68.3 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | trans | -77.5 | 146.2 | 170.7 | 64 | 0 | 0 | 0 | 0 | 111.6 | K1041 D1043 F1047 | K1041-S1045 PolarHBondContact N-O 3.25Å; D1043-S1045 VanDerWaalsContact CG-OG 3.31Å; D1043-S1045 VanDerWaalsContact OD1-CB 3.29Å; D1043-S1045 WeakPolarHBondContact OD1-CB 3.4Å; D1043-S1045 PolarHBondContact OD1-N 3.12Å; D1043-S1045 PolarHBondContact OD1-OG 3.25Å; D1043-S1045 PolarHBondContact OD2-OG 2.85Å; S1045-F1047 VanDerWaalsContact OG-CE2 3.3Å; S1045-F1047 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 1046 | V | 42.6 | Very low | 44.9 | Very low | 69 Ų | 69 | 75.2 Ų | 75.2 | 42% | 0.418 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.1 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L1038 L1039 Y1040 | L1038-V1046 HydrophobicContact CD2-CG1 4.38Å; L1039-V1046 WeakPolarHBondContact O-CA 3.35Å; Y1040-V1046 HydrophobicContact CD1-CG2 3.65Å; Y1040-V1046 HydrophobicContact CE1-CG1 4.33Å; Y1040-V1046 HydrophobicContact CE1-CG2 3.72Å |
| 1047 | F | 50.5 | Low | 45.1 | Very low | 36 Ų | 36 | 76.1 Ų | 76.1 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.5 | 177.8 | -66.9 | -92.4 | 0 | 0 | 0 | 109.9 | L1039 K1041 S1045 Q1049 | L1039-F1047 PolarHBondContact N-O 3.31Å; L1039-F1047 PolarHBondContact O-N 2.91Å; K1041-F1047 HydrophobicContact CD-CD2 4.22Å; K1041-F1047 HydrophobicContact CD-CE2 3.71Å; K1041-F1047 VanDerWaalsContact CE-CE2 3.44Å; K1041-F1047 HydrophobicContact CG-CD2 4.26Å; K1041-F1047 HydrophobicContact CG-CE2 4.17Å; S1045-F1047 VanDerWaalsContact OG-CE2 3.3Å; S1045-F1047 WeakPolarHBondContact OG-CE2 3.5Å; F1047-Q1049 PolarHBondContact O-N 3.36Å |
| 1048 | P | 48.7 | Very low | 44.8 | Very low | 39 Ų | 39 | 74.7 Ų | 74.7 | 25% | 0.253 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124 | 166.9 | -11.7 | 26.1 | 0 | 0 | 0 | 110 | L1036 L1038 L1060 | L1036-P1048 HydrophobicContact CD1-CB 4.17Å; L1038-P1048 HydrophobicContact CD2-CB 4.36Å; P1048-L1060 HydrophobicContact CB-CB 4.23Å; P1048-L1060 HydrophobicContact CB-CD1 4.07Å; P1048-L1060 HydrophobicContact CB-CG 4.4Å; P1048-L1060 HydrophobicContact CG-CB 4.14Å; P1048-L1060 HydrophobicContact CG-CD1 4.26Å; P1048-L1060 PolarHBondContact O-N 2.97Å |
| 1049 | Q | 51.5 | Low | 44.9 | Very low | 46 Ų | 46 | 76.5 Ų | 76.5 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 114.1 | 168.4 | -176.8 | -175.9 | 1.2 | 0 | 0 | 107.8 | R1037 L1039 F1047 T1057 | R1037-Q1049 HydrophobicContact CB-CB 4.37Å; R1037-Q1049 PolarHBondContact N-O 2.86Å; R1037-Q1049 PolarHBondContact O-N 2.9Å; L1039-Q1049 HydrophobicContact CD1-CB 4.46Å; F1047-Q1049 PolarHBondContact O-N 3.36Å; Q1049-T1057 HydrophobicContact CG-CG2 3.62Å; Q1049-T1057 VanDerWaalsContact NE2-CG2 3.31Å |
| 1050 | I | 49.6 | Very low | 44.7 | Very low | 31 Ų | 31 | 76.4 Ų | 76.4 | 16% | 0.159 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124 | 175.1 | -60.5 | 164.1 | 0 | 0 | 0 | 107.8 | L1036 T1052 I1058 L1060 | L1036-I1050 HydrophobicContact CD1-CG1 3.87Å; I1050-T1052 HydrophobicContact CG2-CG2 4.22Å; I1050-I1058 HydrophobicContact CB-CB 4.32Å; I1050-I1058 PolarHBondContact N-O 2.95Å; I1050-I1058 PolarHBondContact O-N 3.15Å; I1050-L1060 HydrophobicContact CD1-CD1 4.19Å |
| 1051 | R | 50.4 | Low | 44.6 | Very low | 151 Ų | 151 | 76 Ų | 76 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.9 | 168 | -152.1 | 176.7 | -164.9 | 173.1 | 3.8 | 108.7 | V1035 R1056 | V1035-R1051 HydrophobicContact CB-CB 4.32Å; V1035-R1051 PolarHBondContact N-O 2.83Å; V1035-R1051 VanDerWaalsContact N-O 3.14Å; V1035-R1051 PolarHBondContact O-N 2.85Å; R1051-R1056 WeakPolarHBondContact CA-O 3.38Å |
| 1052 | T | 48.1 | Very low | 44 | Very low | 42 Ų | 42 | 76.4 Ų | 76.4 | 26% | 0.258 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 162.4 | -179.3 | 42.3 | 0 | 0 | 0 | 0 | 111.4 | I1050 D1054 G1055 R1056 I1058 | I1050-T1052 HydrophobicContact CG2-CG2 4.22Å; T1052-D1054 VanDerWaalsContact CB-OD1 3.25Å; T1052-D1054 WeakPolarHBondContact CB-OD1 3.43Å; T1052-D1054 PolarHBondContact O-N 3.43Å; T1052-D1054 PolarHBondContact OG1-OD1 2.78Å; T1052-G1055 PolarHBondContact O-N 2.86Å; T1052-R1056 PolarHBondContact N-O 2.97Å; T1052-R1056 WeakPolarHBondContact OG1-CB 3.48Å; T1052-R1056 PolarHBondContact OG1-O 3.3Å; T1052-I1058 HydrophobicContact CG2-CD1 3.98Å |
| 1053 | S | 43.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 73.4 Ų | 73.4 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -1.8 | -175.1 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | V1033 | V1033-S1053 WeakPolarHBondContact O-CB 3.37Š|
| 1054 | D | 52.6 | Low | 43.2 | Very low | 85 Ų | 85 | 77.6 Ų | 77.6 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 12.9 | 173.7 | 62.5 | -3.4 | 0 | 0 | 0 | 112.1 | T1052 R1056 | T1052-D1054 VanDerWaalsContact CB-OD1 3.25Å; T1052-D1054 WeakPolarHBondContact CB-OD1 3.43Å; T1052-D1054 PolarHBondContact O-N 3.43Å; T1052-D1054 PolarHBondContact OG1-OD1 2.78Å; D1054-R1056 PolarHBondContact O-N 2.79Å; D1054-R1056 WeakPolarHBondContact OD1-CB 3.37Å; D1054-R1056 WeakPolarHBondContact OD1-CG 3.45Å; D1054-R1056 PolarHBondContact OD1-N 2.78Å; D1054-R1056 VanDerWaalsContact OD2-CD 3.27Å; D1054-R1056 WeakPolarHBondContact OD2-CD 3.41Å; D1054-R1056 IonicContact OD2-CZ 3.65Å; D1054-R1056 IonicContact OD2-NE 3.89Å; D1054-R1056 IonicContact OD2-NH1 3.47Å; D1054-R1056 PolarHBondContact OD2-NH1 2.87Å |
| 1055 | G | 46 | Very low | 43 | Very low | 46 Ų | 46 | 81.8 Ų | 81.8 | 47% | 0.474 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 79.2 | -11 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1052 | T1052-G1055 PolarHBondContact O-N 2.86Š|
| 1056 | R | 44.8 | Very low | 42.3 | Very low | 175 Ų | 175 | 85 Ų | 85 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | trans | -64 | 149.7 | 179.9 | -61.5 | 178.6 | 172.7 | 128.2 | -8.8 | 111.1 | R1051 T1052 D1054 | R1051-R1056 WeakPolarHBondContact CA-O 3.38Å; T1052-R1056 PolarHBondContact N-O 2.97Å; T1052-R1056 WeakPolarHBondContact OG1-CB 3.48Å; T1052-R1056 PolarHBondContact OG1-O 3.3Å; D1054-R1056 PolarHBondContact O-N 2.79Å; D1054-R1056 WeakPolarHBondContact OD1-CB 3.37Å; D1054-R1056 WeakPolarHBondContact OD1-CG 3.45Å; D1054-R1056 PolarHBondContact OD1-N 2.78Å; D1054-R1056 VanDerWaalsContact OD2-CD 3.27Å; D1054-R1056 WeakPolarHBondContact OD2-CD 3.41Å; D1054-R1056 IonicContact OD2-CZ 3.65Å; D1054-R1056 IonicContact OD2-NE 3.89Å; D1054-R1056 IonicContact OD2-NH1 3.47Å; D1054-R1056 PolarHBondContact OD2-NH1 2.87Å | ||
| 1057 | T | 49.5 | Very low | 41.6 | Very low | 68 Ų | 68 | 88.4 Ų | 88.4 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114.7 | 178.7 | -67 | 0 | 0 | 0 | 0 | 109.3 | Q1049 V1059 | Q1049-T1057 HydrophobicContact CG-CG2 3.62Å; Q1049-T1057 VanDerWaalsContact NE2-CG2 3.31Å; T1057-V1059 HydrophobicContact CG2-CG2 4.08Å |
| 1058 | I | 42.3 | Very low | 40.5 | Very low | 61 Ų | 61 | 90 Ų | 90 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 108.6 | 176.9 | -53.2 | 175.5 | 0 | 0 | 0 | 108 | I1050 T1052 L1060 | I1050-I1058 HydrophobicContact CB-CB 4.32Å; I1050-I1058 PolarHBondContact N-O 2.95Å; I1050-I1058 PolarHBondContact O-N 3.15Å; T1052-I1058 HydrophobicContact CG2-CD1 3.98Å; I1058-L1060 HydrophobicContact CG2-CD2 3.89Å |
| 1059 | V | 46.7 | Very low | 39.7 | Very low | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.7 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 109 | T1057 S1061 | T1057-V1059 HydrophobicContact CG2-CG2 4.08Å; V1059-S1061 PolarHBondContact O-N 3.35Å |
| 1060 | L | 39.9 | Very low | 38.5 | Very low | 63 Ų | 63 | 96.2 Ų | 96.2 | 33% | 0.33 | 59% | 0.589 | S | S | . | * | trans | -80.3 | 87.1 | 178.4 | -62.8 | -175.8 | 0 | 0 | 0 | 110.4 | P1048 I1050 I1058 L1073 | P1048-L1060 HydrophobicContact CB-CB 4.23Å; P1048-L1060 HydrophobicContact CB-CD1 4.07Å; P1048-L1060 HydrophobicContact CB-CG 4.4Å; P1048-L1060 HydrophobicContact CG-CB 4.14Å; P1048-L1060 HydrophobicContact CG-CD1 4.26Å; P1048-L1060 PolarHBondContact O-N 2.97Å; I1050-L1060 HydrophobicContact CD1-CD1 4.19Å; I1058-L1060 HydrophobicContact CG2-CD2 3.89Å; L1060-L1073 HydrophobicContact CD2-CD2 3.77Å | ||
| 1061 | S | 39.1 | Very low | 37.4 | Very low | 84 Ų | 84 | 103.2 Ų | 103.2 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | trans | -85.7 | 145 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | V1059 G1063 | V1059-S1061 PolarHBondContact O-N 3.35Å; S1061-G1063 PolarHBondContact O-N 2.88Å | ||
| 1062 | P | 30.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | trans | -80.2 | 64.5 | 175.8 | 33.9 | -34.1 | 0 | 0 | 0 | 110.8 | ||||
| 1063 | G | 29.3 | Very low | 35.1 | Very low | 56 Ų | 56 | 110 Ų | 110 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | trans | -70.2 | 152.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1061 | S1061-G1063 PolarHBondContact O-N 2.88Š| ||
| 1064 | K | 28 | Very low | 34.3 | Very low | 210 Ų | 210 | 111.8 Ų | 111.8 | 91% | 0.913 | 66% | 0.664 | S | S | * | * | trans | -89.3 | 124.8 | 167.9 | -53.5 | 169.2 | -170.9 | 164.9 | 0 | 108.3 | ||||
| 1065 | T | 28.4 | Very low | 33 | Very low | 142 Ų | 142 | 116.6 Ų | 116.6 | 87% | 0.871 | 68% | 0.676 | S | S | * | * | trans | -138.5 | 159.1 | 170.4 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1066 | S | 27.6 | Very low | 32.1 | Very low | 100 Ų | 100 | 121 Ų | 121 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | trans | -86.2 | 160.2 | -167.7 | 34.9 | 0 | 0 | 0 | 0 | 113.8 | G1068 | S1066-G1068 PolarHBondContact O-N 3.49Š| ||
| 1067 | P | 27.3 | Very low | 31.1 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -76.3 | 90.6 | 176.6 | 31.8 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 1068 | G | 27.2 | Very low | 30 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | 177.6 | 30.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | S1066 | S1066-G1068 PolarHBondContact O-N 3.49Š| ||
| 1069 | S | 31.2 | Very low | 29.2 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | trans | -167.2 | 148.6 | 166.8 | 25.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1070 | A | 26 | Very low | 28.2 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -123.3 | 169.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1071 | Q | 27 | Very low | 27.7 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 83.7 | 158.3 | 172.8 | -48.6 | -173.5 | 0.3 | 0 | 0 | 118.1 | ||||
| 1072 | K | 25.7 | Very low | 27.2 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | 67.3 | 68.4 | 168.9 | -59.8 | -179.1 | -176.2 | 174.7 | 0 | 117.6 | ||||
| 1073 | L | 25.8 | Very low | 27 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -121.3 | 139 | 140.6 | -99.6 | 166.2 | 0 | 0 | 0 | 109.2 | L1060 | L1060-L1073 HydrophobicContact CD2-CD2 3.77Š| ||
| 1074 | V | 26.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | -78.3 | 131.2 | -163.5 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1075 | R | 24.7 | Very low | 27.2 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -77.1 | 133.7 | 171.2 | -85.9 | 169.1 | 161.9 | -148.1 | 9.7 | 111 | D1077 | R1075-D1077 WeakPolarHBondContact CD-OD2 3.3Å; R1075-D1077 IonicContact CZ-OD2 2.69Å; R1075-D1077 IonicContact NE-OD2 2.71Å; R1075-D1077 IonicContact NH1-OD1 3.21Å; R1075-D1077 IonicContact NH1-OD2 3.26Å; R1075-D1077 PolarHBondContact NH1-OD2 3.11Å | ||
| 1076 | F | 25.7 | Very low | 27.1 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 61% | 0.605 | 74% | 0.742 | S | S | * | * | trans | -95.4 | 75.1 | 157.1 | -88.2 | -81.2 | 0 | 0 | 0 | 109.1 | W990 | W990-F1076 AromaticContact CH2-CE1 3.63Å; W990-F1076 HydrophobicContact CH2-CE1 3.63Å; W990-F1076 AromaticContact CH2-CZ 3.56Å; W990-F1076 HydrophobicContact CH2-CZ 3.56Å; W990-F1076 HydrophobicContact CZ2-CD1 4.5Å; W990-F1076 AromaticContact CZ2-CE1 3.33Å; W990-F1076 HydrophobicContact CZ2-CE1 3.33Å; W990-F1076 AromaticContact CZ2-CZ 3.56Å; W990-F1076 HydrophobicContact CZ2-CZ 3.56Å | ||
| 1077 | D | 24.9 | Very low | 27 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | trans | -86.2 | 116.7 | 169.7 | -75.4 | -16.1 | 0 | 0 | 0 | 108.8 | R1075 | R1075-D1077 WeakPolarHBondContact CD-OD2 3.3Å; R1075-D1077 IonicContact CZ-OD2 2.69Å; R1075-D1077 IonicContact NE-OD2 2.71Å; R1075-D1077 IonicContact NH1-OD1 3.21Å; R1075-D1077 IonicContact NH1-OD2 3.26Å; R1075-D1077 PolarHBondContact NH1-OD2 3.11Å | ||
| 1078 | G | 25.9 | Very low | 27.1 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 164.3 | 80 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1079 | L | 26.4 | Very low | 27 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -177.2 | 86.6 | 144.1 | -105.6 | 167.9 | 0 | 0 | 0 | 111.8 | ||||
| 1080 | S | 25.7 | Very low | 26.8 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | trans | -161 | 137.5 | 161.4 | 69.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1081 | R | 28.2 | Very low | 26.8 | Very low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 147.5 | -172.5 | -49.1 | -179.1 | 178 | -166.9 | -4.1 | 111.1 | ||||
| 1082 | R | 28.6 | Very low | 26.8 | Very low | 202 Ų | 202 | 140 Ų | 140 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | cis | -139 | 156.5 | 30.7 | -59.3 | 179.5 | 176.6 | -178.1 | -2.5 | 114.7 | H1084 | R1082-H1084 WeakPolarHBondContact CD-NE2 3.37Å; R1082-H1084 PolarHBondContact NH1-NE2 3.31Å | ||
| 1083 | N | 27.9 | Very low | 26.8 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -78.2 | 147.7 | 151 | -62.4 | -5.8 | 0 | 0 | 0 | 109.5 | ||||
| 1084 | H | 30.8 | Very low | 26.8 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | trans | -149.2 | 149.1 | 157.4 | -78.6 | -74.4 | 0 | 0 | 0 | 104.7 | R1082 | R1082-H1084 WeakPolarHBondContact CD-NE2 3.37Å; R1082-H1084 PolarHBondContact NH1-NE2 3.31Å | ||
| 1085 | Y | 30.3 | Very low | 26.8 | Very low | 207 Ų | 207 | 139 Ų | 139 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | cis | -138.4 | 157.7 | 28.4 | -74.3 | -98.9 | 0 | 0 | 0 | 113.4 | ||||
| 1086 | D | 26.4 | Very low | 26.9 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | -98.9 | 176.6 | 154.6 | -77.5 | -63.7 | 0 | 0 | 0 | 110.3 | ||||
| 1087 | V | 25.4 | Very low | 27 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | trans | 113.9 | 132.8 | 154.3 | -171.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1088 | F | 28.9 | Very low | 27.1 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 74.5 | 140.4 | -177.6 | -54.4 | -66.8 | 0 | 0 | 0 | 117.4 | ||||
| 1089 | S | 25.4 | Very low | 27.2 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | -175.7 | 146.2 | -42.1 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1090 | S | 26.1 | Very low | 27.2 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | 63.3 | 160.9 | 163.1 | 70 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1091 | G | 26.7 | Very low | 27.4 | Very low | 66 Ų | 66 | 146.3 Ų | 146.3 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 93.5 | 74.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1092 | S | 26.9 | Very low | 27.5 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 78.4 | 104.7 | 84.2 | 71.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1093 | S | 24.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -2.1 | 138.9 | 156.2 | 58 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1094 | A | 27.4 | Very low | 28 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | -178.2 | 133.6 | 108.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1095 | R | 25.8 | Very low | 28.2 | Very low | 225 Ų | 225 | 139.4 Ų | 139.4 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | 51.4 | 116.7 | 134.6 | -63.3 | -179.3 | 178.8 | -178.8 | -0.4 | 124 | ||||
| 1096 | N | 26.6 | Very low | 28.4 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | 79.9 | 154.4 | 118.7 | -64.4 | 12.7 | 0 | 0 | 0 | 124.1 | |||||
| 1097 | S | 27 | Very low | 28.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 68.2 | 122.8 | 166.1 | 22.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1098 | Q | 27.5 | Very low | 29 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | 92.2 | 149.8 | 26.5 | -162 | 179 | 17.9 | 0 | 0 | 113.9 | ||||
| 1099 | L | 28.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 81 | 108.4 | -172.9 | -55.6 | 168.1 | 0 | 0 | 0 | 112.4 | ||||
| 1100 | W | 26.1 | Very low | 29.2 | Very low | 245 Ų | 245 | 137.2 Ų | 137.2 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | 88 | 146.6 | 71.5 | -79.4 | 35 | 0 | 0 | 0 | 112 | |||||
| 1101 | G | 30.2 | Very low | 29.2 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | -149.4 | -163.6 | 8.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1102 | T | 30.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -81.8 | 173.3 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1103 | D | 33.3 | Very low | 29.5 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | -170.2 | 168.1 | 107.9 | -91.3 | -3.3 | 0 | 0 | 0 | 114.4 | |||||
| 1104 | L | 33.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -119.9 | 168.6 | -167.4 | -115.8 | 167.3 | 0 | 0 | 0 | 108.8 | ||||
| 1105 | P | 34.4 | Very low | 29.9 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -153.5 | 166.5 | 87.6 | 38.2 | -18.5 | 0 | 0 | 0 | 116.9 | |||||
| 1106 | P | 35.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -99 | 164.6 | 169.2 | 39 | -33.1 | 0 | 0 | 0 | 113.4 | ||||
| 1107 | V | 34 | Very low | 30.3 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -139.2 | 113.3 | 160.8 | -177.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1108 | L | 30.5 | Very low | 30.5 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | 79 | 151.4 | 67.3 | -96.8 | 168.3 | 0 | 0 | 0 | 115.5 | |||||
| 1109 | E | 25.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -88.6 | 159.3 | -154.3 | -58.2 | 164.8 | 120.7 | 0 | 0 | 114.8 | ||||
| 1110 | V | 31.2 | Very low | 30.8 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 114.4 | 142.3 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1111 | A | 27.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 150.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1112 | G | 30.5 | Very low | 30.9 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 77 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1113 | D | 28.8 | Very low | 30.9 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -70.9 | 132.9 | 175.2 | -119.1 | -42.4 | 0 | 0 | 0 | 111.2 | ||||
| 1114 | A | 31.7 | Very low | 30.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -149.5 | 85.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1115 | S | 28.6 | Very low | 30.2 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -89.7 | 156.7 | -172 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1116 | A | 29.5 | Very low | 30 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 55.5 | 114.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1117 | L | 31.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -158.8 | 96.1 | 130.7 | -108.2 | 163.9 | 0 | 0 | 0 | 114 | ||||
| 1118 | K | 31.6 | Very low | 29.4 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 52.2 | 122.8 | 142.9 | -67.5 | 171.9 | -163.4 | 164.5 | 0 | 122 | ||||
| 1119 | K | 32.9 | Very low | 29.3 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 78.2 | 103.2 | 129.5 | -69.8 | -176 | 176 | -169.7 | 0 | 121.1 | |||||
| 1120 | T | 28 | Very low | 29.6 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 35.1 | 150.5 | 109.4 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1121 | P | 33 | Very low | 29.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -135.5 | -168.4 | -3.2 | 38.5 | -17.9 | 0 | 0 | 0 | 115 | ||||
| 1122 | S | 26.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -33.5 | 142.7 | 167 | 55.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1123 | E | 30.3 | Very low | 30.8 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -120.1 | 143.5 | 142.6 | -80.3 | -164.9 | 137.9 | 0 | 0 | 111.7 | ||||
| 1124 | K | 27.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | -113.8 | 157.8 | 159.9 | -74.4 | 176.7 | 175.6 | 173.7 | 0 | 107.3 | ||||
| 1125 | S | 24.6 | Very low | 31.7 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 53.2 | 104.4 | 148.7 | 56.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1126 | L | 30.4 | Very low | 32 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -129.8 | 117.9 | 135.5 | -87 | 131.2 | 0 | 0 | 0 | 105.9 | ||||
| 1127 | E | 27.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | cis | 83.1 | 117.1 | 14.1 | -133.5 | -148.6 | -161.3 | 0 | 0 | 116.2 | ||||
| 1128 | K | 28.8 | Very low | 32.3 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 62.3 | 176.4 | 163.7 | -62.5 | 162.6 | -170.4 | 148.5 | 0 | 115.4 | ||||
| 1129 | T | 28.4 | Very low | 32.3 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | cis | -151.7 | -177.2 | 8.8 | -26.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1130 | S | 32.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | 83.5 | 142.4 | 170 | 78 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1131 | S | 36.1 | Very low | 32.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -156.7 | 139.5 | -16.8 | 45.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1132 | E | 36.8 | Very low | 32.2 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -14.4 | 175.4 | 144.2 | -93.8 | -169.7 | 159.5 | 0 | 0 | 122 | ||||
| 1133 | P | 42.1 | Very low | 32.7 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -135.3 | -147.1 | -15 | 39.1 | -17.8 | 0 | 0 | 0 | 111 | ||||
| 1134 | P | 41.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -135.4 | 163 | -17.5 | 39.5 | -22.1 | 0 | 0 | 0 | 118 | ||||
| 1135 | S | 37.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 71.2 | 149.6 | 148.6 | 86.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1136 | K | 36.3 | Very low | 34.6 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -135.6 | 139.1 | -8.3 | -55.7 | 173.9 | -179.4 | 176.2 | 0 | 106.8 | ||||
| 1137 | R | 32.2 | Very low | 35 | Very low | 231 Ų | 231 | 133.7 Ų | 133.7 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | 42.7 | 126.7 | 74.8 | -86.5 | -170.6 | -177.7 | -168 | 3.7 | 112.6 | |||||
| 1138 | I | 34.6 | Very low | 35.8 | Very low | 148 Ų | 148 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -169.4 | 177.2 | 44.9 | -115 | 150.6 | 0 | 0 | 0 | 107.4 | ||||
| 1139 | K | 31.9 | Very low | 36.2 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | 167.7 | 150.7 | -35.9 | -166.6 | -167.4 | 171.7 | -73.9 | 0 | 106.4 | ||||
| 1140 | D | 30.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 66.6 | 169.2 | 168 | -55.6 | -34.5 | 0 | 0 | 0 | 115.7 | ||||
| 1141 | A | 33.1 | Very low | 36.9 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | cis | -153.7 | -143.5 | -28.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1142 | T | 28.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -89.4 | 178.6 | -171.2 | 48.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1143 | D | 36.1 | Very low | 37.1 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 91.6 | 100.6 | 155.4 | -63.1 | -68.7 | 0 | 0 | 0 | 122.2 | ||||
| 1144 | S | 28.5 | Very low | 36.7 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | 75.4 | 155.7 | 120.4 | -59.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1145 | P | 49.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -114.1 | 177.7 | -157 | 45.4 | -35.8 | 0 | 0 | 0 | 114.9 | ||||
| 1146 | P | 45.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | -147.6 | -171.9 | 89.1 | 38.9 | -19.8 | 0 | 0 | 0 | 116.2 | |||||
| 1147 | V | 39.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -106.2 | 177.5 | -175.7 | -150.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1148 | P | 43.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | -152.1 | 159.8 | 100.2 | 40.4 | -24 | 0 | 0 | 0 | 117.5 | |||||
| 1149 | S | 37.5 | Very low | 36.2 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 51.8 | 145.1 | 150.6 | 50 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1150 | S | 39 | Very low | 36.3 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -165.8 | 131.3 | -1.6 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1151 | T | 34.6 | Very low | 36.4 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | 20.8 | 160.1 | 133.2 | 56.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1152 | P | 40.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | cis | -137.8 | 178.4 | 13.8 | 42.4 | -25 | 0 | 0 | 0 | 117.7 | ||||
| 1153 | A | 36.3 | Very low | 36.1 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | 64.8 | 142 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1154 | D | 35.6 | Very low | 35.8 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -161.8 | 172.2 | -6.4 | -133.5 | -33.8 | 0 | 0 | 0 | 115.6 | ||||
| 1155 | I | 35.9 | Very low | 36 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 67.5 | 100.8 | 152.5 | -66.5 | 160 | 0 | 0 | 0 | 119.3 | ||||
| 1156 | A | 35.6 | Very low | 35 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 74.2 | 151.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1157 | K | 35.6 | Very low | 34 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | cis | -154.6 | 170.3 | -14.1 | -109.9 | 174.1 | -179.1 | 173.8 | 0 | 108.5 | ||||
| 1158 | P | 32 | Very low | 33.4 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | -119.3 | 178.2 | -124.5 | 44.3 | -36.2 | 0 | 0 | 0 | 116.5 | L1160 | P1158-L1160 HydrophobicContact CG-CD1 4.39Š| |||
| 1159 | S | 31.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 145.4 | 159.1 | 45.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1160 | L | 33.6 | Very low | 32 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -175.2 | 157.6 | 165.4 | -97.7 | 142 | 0 | 0 | 0 | 108.5 | P1158 | P1158-L1160 HydrophobicContact CG-CD1 4.39Š| ||
| 1161 | P | 32.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -116 | 169.6 | -14.4 | 14.2 | 9.4 | 0 | 0 | 0 | 113.6 | ||||
| 1162 | L | 26.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -98.7 | 162.5 | 162 | -92.3 | 77.8 | 0 | 0 | 0 | 111 | ||||
| 1163 | R | 27.9 | Very low | 30.6 | Very low | 229 Ų | 229 | 148 Ų | 148 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 77.5 | 160.9 | 152.8 | -77.1 | 168.5 | 176 | 176.3 | -2 | 120.2 | ||||
| 1164 | N | 30.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | 83.8 | 70.3 | 158.7 | -63 | -9.7 | 0 | 0 | 0 | 120.8 | ||||
| 1165 | H | 33.3 | Very low | 30.1 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | -160.2 | 121 | 116.3 | -95.2 | -72.3 | 0 | 0 | 0 | 106.9 | |||||
| 1166 | L | 26.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | cis | 75.9 | 78.5 | 19.3 | -58.8 | 169.3 | 0 | 0 | 0 | 116.4 | ||||
| 1167 | R | 25.8 | Very low | 29.7 | Very low | 241 Ų | 241 | 152.9 Ų | 152.9 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | -180 | 157.2 | 111.2 | -96.6 | 174.2 | 178.3 | -154.6 | -1.4 | 113.6 | |||||
| 1168 | Q | 26.3 | Very low | 29.5 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | 77 | 141 | 167.1 | -68 | 179.6 | -12.7 | 0 | 0 | 121.3 | ||||
| 1169 | A | 26.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 27.3 | 110.2 | 163 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1170 | S | 25.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | cis | 93 | 132.5 | 47.9 | 76.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1171 | K | 28.5 | Very low | 29.4 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | 83 | 123.4 | 162.9 | -58 | 175.2 | -179.2 | 176 | 0 | 119.4 | ||||
| 1172 | Q | 29.4 | Very low | 29.4 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 76.8 | 157.3 | 142.4 | -68.1 | 164.8 | -39.2 | 0 | 0 | 121.1 | ||||
| 1173 | L | 26.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 151 Ų | 151 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 173.7 | 166.3 | -62.5 | 75.3 | 0 | 0 | 0 | 109.5 | ||||
| 1174 | P | 33.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -141.1 | -169 | 9.6 | 41.9 | -21.4 | 0 | 0 | 0 | 116.2 | ||||
| 1175 | L | 28.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | 59.8 | 138.2 | 147.8 | -78.6 | 158 | 0 | 0 | 0 | 123.2 | ||||
| 1176 | H | 31.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 85.7 | 116.3 | 150.9 | -86.6 | 33.8 | 0 | 0 | 0 | 123.3 | ||||
| 1177 | V | 31.6 | Very low | 31.3 | Very low | 138 Ų | 138 | 147 Ų | 147 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 56.6 | 124.4 | 135.1 | -170.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1178 | G | 31.3 | Very low | 32.6 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -175.6 | 159.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1179 | Q | 31.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -127 | 151.3 | 177.9 | -72.4 | -175.4 | -17.7 | 0 | 0 | 111.9 | ||||
| 1180 | G | 31.7 | Very low | 35.1 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -163.7 | 136.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1181 | L | 31.7 | Very low | 36.2 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | trans | -56.7 | 153.3 | -172.4 | -71.3 | 139.5 | 0 | 0 | 0 | 117.6 | ||||
| 1182 | L | 32.8 | Very low | 37.1 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -143.4 | 116.9 | 160.7 | -95.2 | 173.4 | 0 | 0 | 0 | 112.8 | ||||
| 1183 | D | 31.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | 32.9 | 142.7 | 160.4 | -134.6 | -22.9 | 0 | 0 | 0 | 123.3 | K1185 | D1183-K1185 WeakPolarHBondContact OD1-CD 3.32Å; D1183-K1185 WeakPolarHBondContact OD1-CE 3.47Å; D1183-K1185 WeakPolarHBondContact OD1-CG 3.33Å; D1183-K1185 IonicContact OD1-NZ 3.83Å; D1183-K1185 PolarHBondContact OD1-NZ 3.21Å; D1183-K1185 WeakPolarHBondContact OD2-CD 3.3Å; D1183-K1185 IonicContact OD2-NZ 2.71Å; D1183-K1185 PolarHBondContact OD2-NZ 2.84Å | ||
| 1184 | E | 33.5 | Very low | 38.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -95 | -3.7 | -178 | -101 | -163.8 | 129 | 0 | 0 | 115 | A1186 | E1184-A1186 PolarHBondContact O-N 3.13Š|
| 1185 | K | 35.8 | Very low | 39.4 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | trans | -77.7 | 10.9 | -155.4 | -73.9 | 173.7 | -165.3 | 136 | 0 | 119 | D1183 | D1183-K1185 WeakPolarHBondContact OD1-CD 3.32Å; D1183-K1185 WeakPolarHBondContact OD1-CE 3.47Å; D1183-K1185 WeakPolarHBondContact OD1-CG 3.33Å; D1183-K1185 IonicContact OD1-NZ 3.83Å; D1183-K1185 PolarHBondContact OD1-NZ 3.21Å; D1183-K1185 WeakPolarHBondContact OD2-CD 3.3Å; D1183-K1185 IonicContact OD2-NZ 2.71Å; D1183-K1185 PolarHBondContact OD2-NZ 2.84Å | ||
| 1186 | A | 39.8 | Very low | 40.1 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -120.5 | 34.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | E1184 Q1188 | E1184-A1186 PolarHBondContact O-N 3.13Å; A1186-Q1188 PolarHBondContact O-N 3.36Å | ||
| 1187 | F | 43.6 | Very low | 41.2 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -89 | 94 | 172.2 | -83.9 | -75.4 | 0 | 0 | 0 | 113.1 | K1189 R1208 | F1187-K1189 PolarHBondContact O-N 3.12Å; F1187-R1208 VanDerWaalsContact CE1-NH2 3.32Å | ||
| 1188 | Q | 53.9 | Low | 42.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -68.1 | 119.3 | 166.2 | -78.7 | -173.4 | -18.1 | 0 | 0 | 111.1 | A1186 F1190 | A1186-Q1188 PolarHBondContact O-N 3.36Å; Q1188-F1190 HydrophobicContact CB-CD2 4.37Å; Q1188-F1190 HydrophobicContact CB-CE2 3.65Å; Q1188-F1190 HydrophobicContact CB-CZ 3.87Å; Q1188-F1190 WeakPolarHBondContact O-CD2 3.44Å; Q1188-F1190 PolarHBondContact O-N 2.82Å; Q1188-F1190 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 1189 | K | 50.1 | Low | 44 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -93.6 | 92.6 | -176.7 | -171.7 | -178.3 | -177.7 | -177.6 | 0 | 110.6 | F1187 | F1187-K1189 PolarHBondContact O-N 3.12Š| ||
| 1190 | F | 53.9 | Low | 45.2 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 44% | 0.439 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -80.4 | 119.7 | 178.2 | -61.7 | -81.9 | 0 | 0 | 0 | 112.1 | Q1188 M1194 A1197 | Q1188-F1190 HydrophobicContact CB-CD2 4.37Å; Q1188-F1190 HydrophobicContact CB-CE2 3.65Å; Q1188-F1190 HydrophobicContact CB-CZ 3.87Å; Q1188-F1190 WeakPolarHBondContact O-CD2 3.44Å; Q1188-F1190 PolarHBondContact O-N 2.82Å; Q1188-F1190 VanDerWaalsContact OE1-CZ 3.27Å; F1190-M1194 HydrophobicContact CD1-CE 4.35Å; F1190-A1197 HydrophobicContact CE1-CB 3.95Å; F1190-A1197 HydrophobicContact CE2-CB 4.43Å; F1190-A1197 HydrophobicContact CZ-CB 3.67Å |
| 1191 | T | 50.3 | Low | 46.1 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 171.3 | 168.3 | 42.7 | 0 | 0 | 0 | 0 | 111.6 | G1193 | T1191-G1193 PolarHBondContact O-N 2.93Š|
| 1192 | N | 45.8 | Very low | 47.2 | Very low | 172 Ų | 172 | 127 Ų | 127 | 92% | 0.92 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 132.8 | -171.4 | -75.1 | -24.5 | 0 | 0 | 0 | 114 | ||
| 1193 | G | 47 | Very low | 48.7 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.1 | -22 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | T1191 K1195 | T1191-G1193 PolarHBondContact O-N 2.93Å; G1193-K1195 PolarHBondContact O-N 2.72Å; G1193-K1195 VanDerWaalsContact O-N 3.14Å |
| 1194 | M | 39.6 | Very low | 50.4 | Low | 133 Ų | 133 | 120.6 Ų | 120.6 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | trans | -73.1 | 109.7 | -177.2 | -73.3 | -146.7 | -77.3 | 0 | 0 | 113.1 | F1190 K1196 | F1190-M1194 HydrophobicContact CD1-CE 4.35Å; M1194-K1196 PolarHBondContact O-N 3.15Å | ||
| 1195 | K | 51.5 | Low | 52.1 | Low | 215 Ų | 215 | 114.6 Ų | 114.6 | 94% | 0.935 | 61% | 0.608 | S | S | * | * | trans | -79 | 5.2 | 172.7 | -71.6 | -177.7 | 175.2 | 177.1 | 0 | 114.4 | G1193 | G1193-K1195 PolarHBondContact O-N 2.72Å; G1193-K1195 VanDerWaalsContact O-N 3.14Å | ||
| 1196 | K | 44.1 | Very low | 53.8 | Low | 186 Ų | 186 | 115.1 Ų | 115.1 | 81% | 0.809 | 61% | 0.605 | S | S | * | * | trans | -127.5 | 99.5 | -173 | -105.8 | -175.2 | 171.9 | -174.8 | 0 | 110.9 | M1194 | M1194-K1196 PolarHBondContact O-N 3.15Š| ||
| 1197 | A | 54.4 | Low | 55.2 | Low | 42 Ų | 42 | 114.3 Ų | 114.3 | 35% | 0.347 | 58% | 0.584 | S | S | . | * | trans | -117.4 | 130.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | F1190 L1199 | F1190-A1197 HydrophobicContact CE1-CB 3.95Å; F1190-A1197 HydrophobicContact CE2-CB 4.43Å; F1190-A1197 HydrophobicContact CZ-CB 3.67Å; A1197-L1199 HydrophobicContact CB-CD2 4.16Å; A1197-L1199 PolarHBondContact O-N 2.79Å | ||
| 1198 | T | 56.8 | Low | 56.7 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 89% | 0.89 | 57% | 0.573 | S | S | * | * | trans | -77 | 109.2 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1199 | L | 63.8 | Low | 57.2 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 40% | 0.398 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -102.8 | 124.6 | -179.3 | -54.4 | -178.5 | 0 | 0 | 0 | 109.8 | A1197 Y1205 F1207 T1228 | A1197-L1199 HydrophobicContact CB-CD2 4.16Å; A1197-L1199 PolarHBondContact O-N 2.79Å; L1199-Y1205 HydrophobicContact CB-CD2 4.22Å; L1199-Y1205 HydrophobicContact CB-CE2 3.69Å; L1199-Y1205 HydrophobicContact CD1-CD2 4.48Å; L1199-Y1205 HydrophobicContact CD2-CD1 3.87Å; L1199-Y1205 HydrophobicContact CD2-CD2 4.09Å; L1199-Y1205 HydrophobicContact CD2-CE1 3.78Å; L1199-Y1205 HydrophobicContact CD2-CE2 3.97Å; L1199-Y1205 HydrophobicContact CD2-CG 4.04Å; L1199-Y1205 HydrophobicContact CG-CD2 4.49Å; L1199-Y1205 HydrophobicContact CG-CE2 4.31Å; L1199-F1207 HydrophobicContact CD1-CZ 4.06Å; L1199-F1207 HydrophobicContact CD2-CZ 4.35Å; L1199-T1228 HydrophobicContact CB-CG2 3.82Å; L1199-T1228 HydrophobicContact CD1-CG2 4.24Å |
| 1200 | E | 58 | Low | 58.5 | Low | 122 Ų | 122 | 103.7 Ų | 103.7 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150 | 173.4 | -63.1 | 161.4 | -173.7 | 0 | 0 | 111.3 | T1203 Y1205 T1228 | E1200-T1203 WeakPolarHBondContact CB-OG1 3.39Å; E1200-T1203 WeakPolarHBondContact OE2-CB 3.49Å; E1200-T1203 WeakPolarHBondContact OE2-CG2 3.47Å; E1200-T1203 PolarHBondContact OE2-OG1 2.99Å; E1200-Y1205 WeakPolarHBondContact CB-OH 3.45Å; E1200-Y1205 WeakPolarHBondContact CG-OH 3.45Å; E1200-Y1205 PolarHBondContact N-OH 3.29Å; E1200-T1228 VanDerWaalsContact O-CB 3.31Å; E1200-T1228 WeakPolarHBondContact O-CB 3.25Å; E1200-T1228 WeakPolarHBondContact O-CG2 3.43Å; E1200-T1228 PolarHBondContact O-OG1 2.83Å |
| 1201 | S | 49.7 | Very low | 59 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 142.7 | 175.7 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | T1203 | S1201-T1203 PolarHBondContact O-N 3.02Å; S1201-T1203 VanDerWaalsContact O-N 3.16Å |
| 1202 | A | 56 | Low | 59.8 | Low | 34 Ų | 34 | 99.9 Ų | 99.9 | 28% | 0.281 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 1.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117 | K1227 T1228 H1229 | A1202-K1227 WeakPolarHBondContact O-CE 3.02Å; A1202-T1228 VanDerWaalsContact CA-O 3.29Å; A1202-T1228 WeakPolarHBondContact CA-O 3.41Å; A1202-T1228 PolarHBondContact N-O 2.97Å; A1202-T1228 PolarHBondContact N-OG1 2.87Å; A1202-H1229 PolarHBondContact N-O 2.98Å |
| 1203 | T | 63.2 | Low | 61.1 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | trans | -77.8 | 142.9 | 175.3 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | E1200 S1201 Y1205 K1227 T1228 | E1200-T1203 WeakPolarHBondContact CB-OG1 3.39Å; E1200-T1203 WeakPolarHBondContact OE2-CB 3.49Å; E1200-T1203 WeakPolarHBondContact OE2-CG2 3.47Å; E1200-T1203 PolarHBondContact OE2-OG1 2.99Å; S1201-T1203 PolarHBondContact O-N 3.02Å; S1201-T1203 VanDerWaalsContact O-N 3.16Å; T1203-Y1205 HydrophobicContact CG2-CD2 4.11Å; T1203-Y1205 HydrophobicContact CG2-CE1 4.27Å; T1203-Y1205 HydrophobicContact CG2-CE2 3.62Å; T1203-K1227 WeakPolarHBondContact O-CA 3.45Å; T1203-T1228 PolarHBondContact N-OG1 2.85Å; T1203-T1228 VanDerWaalsContact N-OG1 3.09Å; T1203-T1228 PolarHBondContact O-N 2.91Å; T1203-T1228 PolarHBondContact O-OG1 3.04Å | ||
| 1204 | I | 67.7 | Low | 62.3 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 100.5 | 177.9 | -58.2 | 175.3 | 0 | 0 | 0 | 109.6 | C1225 K1227 | I1204-C1225 HydrophobicContact CG2-CB 4.29Å; I1204-K1227 HydrophobicContact CG1-CB 4.01Å; I1204-K1227 HydrophobicContact CG1-CD 4.2Å; I1204-K1227 HydrophobicContact CG1-CG 3.78Å |
| 1205 | Y | 69.5 | Low | 63.8 | Low | 48 Ų | 48 | 98.2 Ų | 98.2 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.3 | 176 | -70.9 | -82 | 0 | 0 | 0 | 111.4 | L1199 E1200 T1203 F1207 C1225 F1226 T1228 | L1199-Y1205 HydrophobicContact CB-CD2 4.22Å; L1199-Y1205 HydrophobicContact CB-CE2 3.69Å; L1199-Y1205 HydrophobicContact CD1-CD2 4.48Å; L1199-Y1205 HydrophobicContact CD2-CD1 3.87Å; L1199-Y1205 HydrophobicContact CD2-CD2 4.09Å; L1199-Y1205 HydrophobicContact CD2-CE1 3.78Å; L1199-Y1205 HydrophobicContact CD2-CE2 3.97Å; L1199-Y1205 HydrophobicContact CD2-CG 4.04Å; L1199-Y1205 HydrophobicContact CG-CD2 4.49Å; L1199-Y1205 HydrophobicContact CG-CE2 4.31Å; E1200-Y1205 WeakPolarHBondContact CB-OH 3.45Å; E1200-Y1205 WeakPolarHBondContact CG-OH 3.45Å; E1200-Y1205 PolarHBondContact N-OH 3.29Å; T1203-Y1205 HydrophobicContact CG2-CD2 4.11Å; T1203-Y1205 HydrophobicContact CG2-CE1 4.27Å; T1203-Y1205 HydrophobicContact CG2-CE2 3.62Å; Y1205-F1207 HydrophobicContact CG-CE2 4.37Å; Y1205-F1207 HydrophobicContact CG-CZ 4.42Å; Y1205-C1225 WeakPolarHBondContact O-CA 3.36Å; Y1205-F1226 PolarHBondContact N-O 3.44Å; Y1205-F1226 PolarHBondContact O-N 2.88Å; Y1205-T1228 HydrophobicContact CD2-CG2 3.95Å; Y1205-T1228 HydrophobicContact CE2-CG2 4.02Å |
| 1206 | R | 71.3 | Confident | 64.6 | Low | 189 Ų | 189 | 89.6 Ų | 89.6 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 101.9 | 178.4 | -65.7 | -173.2 | 172.9 | 161.2 | -0.9 | 109.7 | A1223 | R1206-A1223 HydrophobicContact CB-CB 4.49Å |
| 1207 | F | 68.7 | Low | 66.1 | Low | 79 Ų | 79 | 84.6 Ų | 84.6 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.8 | 178.7 | -58.8 | -99 | 0 | 0 | 0 | 110.3 | L1199 Y1205 A1223 A1224 F1226 | L1199-F1207 HydrophobicContact CD1-CZ 4.06Å; L1199-F1207 HydrophobicContact CD2-CZ 4.35Å; Y1205-F1207 HydrophobicContact CG-CE2 4.37Å; Y1205-F1207 HydrophobicContact CG-CZ 4.42Å; F1207-A1223 CarbonylContact O-C 3.55Å; F1207-A1224 PolarHBondContact N-O 2.92Å; F1207-A1224 PolarHBondContact O-N 2.66Å; F1207-F1226 AromaticContact CD2-CD2 3.62Å; F1207-F1226 HydrophobicContact CD2-CD2 3.62Å; F1207-F1226 HydrophobicContact CD2-CE2 4.08Å; F1207-F1226 AromaticContact CE2-CD2 3.97Å; F1207-F1226 HydrophobicContact CE2-CD2 3.97Å |
| 1208 | R | 75 | Confident | 67.1 | Low | 93 Ų | 93 | 84.3 Ų | 84.3 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | trans | -120.6 | 142.7 | 165.6 | 54.9 | 172.8 | -176.5 | 179.5 | -3.6 | 108.6 | F1187 W1220 S1221 | F1187-R1208 VanDerWaalsContact CE1-NH2 3.32Å; R1208-W1220 HydrophobicContact CB-CB 4.39Å; R1208-W1220 HydrophobicContact CB-CE3 3.91Å; R1208-W1220 HydrophobicContact CG-CD2 4Å; R1208-W1220 HydrophobicContact CG-CE3 3.51Å; R1208-W1220 HydrophobicContact CG-CG 4.48Å; R1208-W1220 HydrophobicContact CG-CZ3 3.99Å; R1208-W1220 WeakPolarHBondContact O-CZ3 3.33Å; R1208-S1221 WeakPolarHBondContact CA-OG 3.28Å | ||
| 1209 | I | 65.7 | Low | 68.1 | Low | 120 Ų | 120 | 80.1 Ų | 80.1 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | trans | -119.6 | 134.4 | -177.3 | -58.3 | 176.8 | 0 | 0 | 0 | 109.1 | S1221 | I1209-S1221 PolarHBondContact N-OG 3.34Å; I1209-S1221 PolarHBondContact O-N 3.12Å | ||
| 1210 | A | 76.1 | Confident | 68.8 | Low | 23 Ų | 23 | 81.5 Ų | 81.5 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | trans | -129.3 | 112.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1217 W1220 | A1210-T1217 HydrophobicContact CB-CG2 3.75Å; A1210-W1220 HydrophobicContact CB-CD2 3.65Å; A1210-W1220 HydrophobicContact CB-CE3 3.52Å; A1210-W1220 HydrophobicContact CB-CG 4.18Å; A1210-W1220 HydrophobicContact CB-CH2 4.32Å; A1210-W1220 HydrophobicContact CB-CZ2 4.43Å; A1210-W1220 HydrophobicContact CB-CZ3 3.88Å | ||
| 1211 | A | 65.5 | Low | 69.8 | Low | 48 Ų | 48 | 78 Ų | 78 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | trans | -63 | 146.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | K11 | K11-A1211 PolarHBondContact NZ-O 3.22Š| ||
| 1212 | S | 66.2 | Low | 71 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146 | 173.4 | -161.3 | 0 | 0 | 0 | 0 | 109.6 | G1216 T1217 | S1212-G1216 WeakPolarHBondContact CA-O 3.18Å; S1212-G1216 PolarHBondContact OG-O 2.73Å; S1212-T1217 WeakPolarHBondContact CB-OG1 3.18Å; S1212-T1217 PolarHBondContact OG-OG1 3.39Å |
| 1213 | N | 72.6 | Confident | 71.7 | Confident | 109 Ų | 109 | 81.7 Ų | 81.7 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | -170.8 | 167.5 | 70.3 | -3.7 | 0 | 0 | 0 | 109.4 | C1215 G1216 | N1213-C1215 PolarHBondContact O-N 3.35Å; N1213-C1215 WeakPolarHBondContact OD1-CA 3.07Å; N1213-C1215 WeakPolarHBondContact OD1-CB 3.38Å; N1213-C1215 PolarHBondContact OD1-N 3.02Å; N1213-G1216 PolarHBondContact N-O 3.38Å; N1213-G1216 PolarHBondContact O-N 2.99Å; N1213-G1216 PolarHBondContact OD1-N 2.71Å; N1213-G1216 PolarHBondContact OD1-O 2.9Å |
| 1214 | A | 73.8 | Confident | 71.7 | Confident | 114 Ų | 114 | 81.5 Ų | 81.5 | 94% | 0.942 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1216 | A1214-G1216 VanDerWaalsContact C-N 3.27Å; A1214-G1216 PolarHBondContact O-N 3.06Å |
| 1215 | C | 70.1 | Confident | 72 | Confident | 123 Ų | 123 | 80.2 Ų | 80.2 | 83% | 0.831 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.6 | 175.7 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | N1213 | N1213-C1215 PolarHBondContact O-N 3.35Å; N1213-C1215 WeakPolarHBondContact OD1-CA 3.07Å; N1213-C1215 WeakPolarHBondContact OD1-CB 3.38Å; N1213-C1215 PolarHBondContact OD1-N 3.02Å |
| 1216 | G | 67.7 | Low | 71.7 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.9 | -168.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1212 N1213 A1214 | S1212-G1216 WeakPolarHBondContact CA-O 3.18Å; S1212-G1216 PolarHBondContact OG-O 2.73Å; N1213-G1216 PolarHBondContact N-O 3.38Å; N1213-G1216 PolarHBondContact O-N 2.99Å; N1213-G1216 PolarHBondContact OD1-N 2.71Å; N1213-G1216 PolarHBondContact OD1-O 2.9Å; A1214-G1216 VanDerWaalsContact C-N 3.27Å; A1214-G1216 PolarHBondContact O-N 3.06Å |
| 1217 | T | 75.9 | Confident | 71.4 | Confident | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 105.6 | -179.8 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | A1210 S1212 | A1210-T1217 HydrophobicContact CB-CG2 3.75Å; S1212-T1217 WeakPolarHBondContact CB-OG1 3.18Å; S1212-T1217 PolarHBondContact OG-OG1 3.39Å |
| 1218 | G | 77.1 | Confident | 70.9 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | trans | -67.8 | -174.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K11 | K11-G1218 PolarHBondContact NZ-O 2.94Š| ||
| 1219 | P | 77 | Confident | 69.6 | Low | 58 Ų | 58 | 80.5 Ų | 80.5 | 38% | 0.377 | 49% | 0.492 | S | S | . | . | trans | -44.7 | 157.2 | 180 | -31.7 | 35.1 | 0 | 0 | 0 | 117.2 | K11 | K11-P1219 HydrophobicContact CB-CB 4.4Å; K11-P1219 HydrophobicContact CD-CB 4.37Å; K11-P1219 WeakPolarHBondContact CD-O 3.35Å; K11-P1219 WeakPolarHBondContact CE-O 3.38Å; K11-P1219 HydrophobicContact CG-CB 4.2Å; K11-P1219 VanDerWaalsContact CG-O 3.29Å; K11-P1219 WeakPolarHBondContact CG-O 3.4Å; K11-P1219 PolarHBondContact NZ-O 3.44Å | ||
| 1220 | W | 79.1 | Confident | 69.2 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 155.7 | 168.1 | -67 | 94.9 | 0 | 0 | 0 | 111.5 | R1208 A1210 | R1208-W1220 HydrophobicContact CB-CB 4.39Å; R1208-W1220 HydrophobicContact CB-CE3 3.91Å; R1208-W1220 HydrophobicContact CG-CD2 4Å; R1208-W1220 HydrophobicContact CG-CE3 3.51Å; R1208-W1220 HydrophobicContact CG-CG 4.48Å; R1208-W1220 HydrophobicContact CG-CZ3 3.99Å; R1208-W1220 WeakPolarHBondContact O-CZ3 3.33Å; A1210-W1220 HydrophobicContact CB-CD2 3.65Å; A1210-W1220 HydrophobicContact CB-CE3 3.52Å; A1210-W1220 HydrophobicContact CB-CG 4.18Å; A1210-W1220 HydrophobicContact CB-CH2 4.32Å; A1210-W1220 HydrophobicContact CB-CZ2 4.43Å; A1210-W1220 HydrophobicContact CB-CZ3 3.88Å |
| 1221 | S | 79.2 | Confident | 68.2 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -68 | 164.4 | 160.9 | 74.1 | 0 | 0 | 0 | 0 | 111.4 | R1208 I1209 | R1208-S1221 WeakPolarHBondContact CA-OG 3.28Å; I1209-S1221 PolarHBondContact N-OG 3.34Å; I1209-S1221 PolarHBondContact O-N 3.12Å |
| 1222 | D | 73.7 | Confident | 68.3 | Low | 121 Ų | 121 | 77.8 Ų | 77.8 | 65% | 0.647 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 152.8 | 161.2 | -53 | -41.8 | 0 | 0 | 0 | 110.7 | A1224 | D1222-A1224 PolarHBondContact O-N 2.98Š|
| 1223 | A | 70.7 | Confident | 69.1 | Low | 56 Ų | 56 | 80.9 Ų | 80.9 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | trans | -78.5 | 101.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1206 F1207 C1225 | R1206-A1223 HydrophobicContact CB-CB 4.49Å; F1207-A1223 CarbonylContact O-C 3.55Å; A1223-C1225 PolarHBondContact O-N 2.91Å; A1223-C1225 VanDerWaalsContact O-N 3.13Å | ||
| 1224 | A | 62.7 | Low | 69.9 | Low | 42 Ų | 42 | 75.8 Ų | 75.8 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 107.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F1207 D1222 F1226 | F1207-A1224 PolarHBondContact N-O 2.92Å; F1207-A1224 PolarHBondContact O-N 2.66Å; D1222-A1224 PolarHBondContact O-N 2.98Å; A1224-F1226 HydrophobicContact CB-CD2 4.28Å; A1224-F1226 HydrophobicContact CB-CE2 3.48Å; A1224-F1226 VanDerWaalsContact CB-CE2 3.48Å; A1224-F1226 HydrophobicContact CB-CZ 4.01Å; A1224-F1226 WeakPolarHBondContact O-CD2 3.42Å |
| 1225 | C | 74.9 | Confident | 70.6 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 117.1 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | I1204 Y1205 A1223 | I1204-C1225 HydrophobicContact CG2-CB 4.29Å; Y1205-C1225 WeakPolarHBondContact O-CA 3.36Å; A1223-C1225 PolarHBondContact O-N 2.91Å; A1223-C1225 VanDerWaalsContact O-N 3.13Å |
| 1226 | F | 62.5 | Low | 71.7 | Confident | 124 Ų | 124 | 68 Ų | 68 | 54% | 0.544 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.1 | 170 | -55.1 | -95.6 | 0 | 0 | 0 | 108.5 | Y1205 F1207 A1224 | Y1205-F1226 PolarHBondContact N-O 3.44Å; Y1205-F1226 PolarHBondContact O-N 2.88Å; F1207-F1226 AromaticContact CD2-CD2 3.62Å; F1207-F1226 HydrophobicContact CD2-CD2 3.62Å; F1207-F1226 HydrophobicContact CD2-CE2 4.08Å; F1207-F1226 AromaticContact CE2-CD2 3.97Å; F1207-F1226 HydrophobicContact CE2-CD2 3.97Å; A1224-F1226 HydrophobicContact CB-CD2 4.28Å; A1224-F1226 HydrophobicContact CB-CE2 3.48Å; A1224-F1226 VanDerWaalsContact CB-CE2 3.48Å; A1224-F1226 HydrophobicContact CB-CZ 4.01Å; A1224-F1226 WeakPolarHBondContact O-CD2 3.42Å |
| 1227 | K | 66.1 | Low | 73 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.1 | 162.9 | -163 | 177.9 | -175.6 | -178.8 | 0 | 107.1 | A1202 T1203 I1204 | A1202-K1227 WeakPolarHBondContact O-CE 3.02Å; T1203-K1227 WeakPolarHBondContact O-CA 3.45Å; I1204-K1227 HydrophobicContact CG1-CB 4.01Å; I1204-K1227 HydrophobicContact CG1-CD 4.2Å; I1204-K1227 HydrophobicContact CG1-CG 3.78Å |
| 1228 | T | 56.4 | Low | 73.9 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 144.3 | 165.2 | 45.5 | 0 | 0 | 0 | 0 | 108.4 | L1199 E1200 A1202 T1203 Y1205 | L1199-T1228 HydrophobicContact CB-CG2 3.82Å; L1199-T1228 HydrophobicContact CD1-CG2 4.24Å; E1200-T1228 VanDerWaalsContact O-CB 3.31Å; E1200-T1228 WeakPolarHBondContact O-CB 3.25Å; E1200-T1228 WeakPolarHBondContact O-CG2 3.43Å; E1200-T1228 PolarHBondContact O-OG1 2.83Å; A1202-T1228 VanDerWaalsContact CA-O 3.29Å; A1202-T1228 WeakPolarHBondContact CA-O 3.41Å; A1202-T1228 PolarHBondContact N-O 2.97Å; A1202-T1228 PolarHBondContact N-OG1 2.87Å; T1203-T1228 PolarHBondContact N-OG1 2.85Å; T1203-T1228 VanDerWaalsContact N-OG1 3.09Å; T1203-T1228 PolarHBondContact O-N 2.91Å; T1203-T1228 PolarHBondContact O-OG1 3.04Å; Y1205-T1228 HydrophobicContact CD2-CG2 3.95Å; Y1205-T1228 HydrophobicContact CE2-CG2 4.02Å |
| 1229 | H | 48.5 | Very low | 74.6 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 60% | 0.602 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 148.9 | 172 | -70 | -87.9 | 0 | 0 | 0 | 109.7 | A1202 A1231 Y1260 | A1202-H1229 PolarHBondContact N-O 2.98Å; H1229-A1231 PolarHBondContact O-N 2.89Å; H1229-Y1260 HydrophobicContact CB-CD1 4.17Å; H1229-Y1260 HydrophobicContact CB-CE1 3.6Å; H1229-Y1260 AromaticContact CG-CE1 3.92Å |
| 1230 | T | 56.5 | Low | 75.5 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 137 | 160.2 | -35.8 | 0 | 0 | 0 | 0 | 107.6 | G1232 | T1230-G1232 PolarHBondContact O-N 2.93Š|
| 1231 | A | 56.4 | Low | 76.1 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -53.4 | 130.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H1229 R1326 | H1229-A1231 PolarHBondContact O-N 2.89Å; A1231-R1326 VanDerWaalsContact O-CD 3.29Å; A1231-R1326 WeakPolarHBondContact O-CD 3.22Å; A1231-R1326 PolarHBondContact O-NE 2.89Å; A1231-R1326 VanDerWaalsContact O-NE 3.13Å; A1231-R1326 PolarHBondContact O-NH1 3.47Å |
| 1232 | G | 67.8 | Low | 76.8 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | trans | -130.9 | -173.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1230 Y1260 N1324 | T1230-G1232 PolarHBondContact O-N 2.93Å; G1232-Y1260 WeakPolarHBondContact O-CB 3.17Å; G1232-N1324 PolarHBondContact O-ND2 2.83Å | ||
| 1233 | Y | 83.1 | Confident | 77.6 | Confident | 144 Ų | 144 | 65 Ų | 65 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 145.9 | 166.3 | -56.5 | -86.1 | 0 | 0 | 0 | 109.3 | Y1260 R1326 Y1328 | Y1233-Y1260 WeakPolarHBondContact O-CD2 3.13Å; Y1233-R1326 HydrophobicContact CD1-CB 4.47Å; Y1233-R1326 HydrophobicContact CE1-CB 4.46Å; Y1233-R1326 WeakPolarHBondContact CE1-O 3.19Å; Y1233-Y1328 WeakPolarHBondContact CD1-O 3.42Å |
| 1234 | P | 89.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 153.7 | -179.1 | -25.5 | 34.8 | 0 | 0 | 0 | 113.4 | P1256 I1263 A1322 N1324 G1327 G1329 P1330 | P1234-P1256 HydrophobicContact CB-CB 4.2Å; P1234-P1256 HydrophobicContact CB-CG 3.89Å; P1234-I1263 HydrophobicContact CB-CD1 3.83Å; P1234-I1263 HydrophobicContact CG-CD1 3.52Å; P1234-A1322 HydrophobicContact CB-CB 4.13Å; P1234-A1322 HydrophobicContact CG-CB 4.44Å; P1234-N1324 WeakPolarHBondContact CD-ND2 3.25Å; P1234-N1324 HydrophobicContact CG-CB 3.91Å; P1234-G1327 WeakPolarHBondContact CD-O 3.46Å; P1234-G1329 WeakPolarHBondContact O-CA 3.32Å; P1234-P1330 WeakPolarHBondContact O-CD 3.32Å |
| 1235 | S | 88.5 | Confident | 79.6 | Confident | 20 Ų | 20 | 69 Ų | 69 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 168.2 | 164.8 | 90.5 | 0 | 0 | 0 | 0 | 110.8 | P1256 A1257 D1258 | S1235-P1256 WeakPolarHBondContact O-CB 3.14Å; S1235-P1256 WeakPolarHBondContact O-CG 3.47Å; S1235-P1256 WeakPolarHBondContact OG-CA 3.29Å; S1235-P1256 WeakPolarHBondContact OG-CB 3.46Å; S1235-A1257 PolarHBondContact OG-N 2.87Å; S1235-D1258 PolarHBondContact N-O 2.88Å; S1235-D1258 PolarHBondContact OG-N 2.76Å |
| 1236 | P | 93.3 | Very high | 80 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -58 | 142.6 | 169.1 | -20.1 | 32.2 | 0 | 0 | 0 | 111.3 | P1330 A1332 | P1236-P1330 VanDerWaalsContact CA-O 3.25Å; P1236-P1330 WeakPolarHBondContact CA-O 3.35Å; P1236-P1330 WeakPolarHBondContact CB-O 3.47Å; P1236-P1330 HydrophobicContact CG-CB 4.31Å; P1236-P1330 HydrophobicContact CG-CG 4Å; P1236-A1332 HydrophobicContact CB-CB 3.93Å |
| 1237 | P | 95.5 | Very high | 81.2 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 142.9 | 167.3 | -26.6 | 36 | 0 | 0 | 0 | 111.8 | V1240 W1253 E1254 Y1266 V1320 A1322 A1332 | P1237-V1240 HydrophobicContact CB-CG2 4.31Å; P1237-W1253 HydrophobicContact CB-CB 4.29Å; P1237-W1253 HydrophobicContact CB-CG 4.34Å; P1237-E1254 CarbonylContact C-O 3.58Å; P1237-Y1266 HydrophobicContact CG-CD1 4.36Å; P1237-Y1266 HydrophobicContact CG-CE1 4.35Å; P1237-V1320 HydrophobicContact CB-CG1 4.25Å; P1237-V1320 WeakPolarHBondContact CD-O 3.28Å; P1237-V1320 HydrophobicContact CG-CB 4.25Å; P1237-V1320 HydrophobicContact CG-CG1 3.9Å; P1237-A1322 HydrophobicContact CG-CB 4.18Å; P1237-A1332 WeakPolarHBondContact O-CB 3.32Å |
| 1238 | Q | 94.2 | Very high | 82.3 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 163.7 | -175.5 | -68.1 | 176.8 | 101.2 | 0 | 0 | 111.6 | V1240 E1254 P1255 | Q1238-V1240 PolarHBondContact O-N 3.28Å; Q1238-E1254 HydrophobicContact CB-CB 3.91Å; Q1238-E1254 PolarHBondContact N-O 3.13Å; Q1238-E1254 PolarHBondContact O-N 2.9Å; Q1238-P1255 PolarHBondContact NE2-O 2.84Å |
| 1239 | S | 92.2 | Very high | 84 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 27.2 | 167.7 | -59.2 | 0 | 0 | 0 | 0 | 116.9 | K1241 E1254 | S1239-K1241 WeakPolarHBondContact O-CG 3.48Å; S1239-K1241 PolarHBondContact O-N 2.89Å; S1239-E1254 WeakPolarHBondContact CB-OE2 3.18Å; S1239-E1254 PolarHBondContact OG-OE2 2.9Å |
| 1240 | V | 94.2 | Very high | 86.2 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 124 | -176.8 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | P1237 Q1238 I1251 V1252 W1253 V1320 A1332 V1334 | P1237-V1240 HydrophobicContact CB-CG2 4.31Å; Q1238-V1240 PolarHBondContact O-N 3.28Å; V1240-I1251 HydrophobicContact CG1-CG2 4.32Å; V1240-V1252 WeakPolarHBondContact CA-O 3.31Å; V1240-W1253 HydrophobicContact CB-CB 4.41Å; V1240-W1253 HydrophobicContact CG1-CB 4.48Å; V1240-W1253 HydrophobicContact CG2-CB 3.89Å; V1240-V1320 HydrophobicContact CG1-CG2 3.66Å; V1240-V1320 HydrophobicContact CG2-CG2 4.41Å; V1240-A1332 HydrophobicContact CG2-CB 3.57Å; V1240-V1334 HydrophobicContact CG1-CB 4.28Å; V1240-V1334 HydrophobicContact CG1-CG1 3.75Å |
| 1241 | K | 92.4 | Very high | 88.1 | Confident | 125 Ų | 125 | 53.3 Ų | 53.3 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.3 | -179.9 | -69.6 | 165.2 | -172.4 | 173.2 | 0 | 110.5 | S1239 I1251 V1252 | S1239-K1241 WeakPolarHBondContact O-CG 3.48Å; S1239-K1241 PolarHBondContact O-N 2.89Å; K1241-I1251 WeakPolarHBondContact O-CA 3.34Å; K1241-I1251 WeakPolarHBondContact O-CG2 3.26Å; K1241-V1252 HydrophobicContact CB-CG1 4.08Å; K1241-V1252 PolarHBondContact N-O 3.27Å; K1241-V1252 PolarHBondContact O-N 3.47Å |
| 1242 | V | 94 | Very high | 90 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.8 | 168.7 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | A1249 F1250 I1251 F1318 V1334 W1336 | V1242-A1249 HydrophobicContact CG1-CB 3.83Å; V1242-F1250 CarbonylContact C-O 3.51Å; V1242-F1250 WeakPolarHBondContact CA-O 3.2Å; V1242-I1251 HydrophobicContact CG1-CG1 4.43Å; V1242-I1251 HydrophobicContact CG2-CG1 4.32Å; V1242-I1251 HydrophobicContact CG2-CG2 4.44Å; V1242-F1318 HydrophobicContact CG2-CD2 3.98Å; V1242-F1318 HydrophobicContact CG2-CE2 4.36Å; V1242-F1318 HydrophobicContact CG2-CG 4.36Å; V1242-V1334 HydrophobicContact CG2-CB 4.5Å; V1242-V1334 HydrophobicContact CG2-CG1 3.52Å; V1242-V1334 HydrophobicContact CG2-CG2 4.15Å; V1242-W1336 HydrophobicContact CB-CB 3.97Å; V1242-W1336 HydrophobicContact CB-CG 4.15Å; V1242-W1336 HydrophobicContact CG1-CB 3.96Å; V1242-W1336 HydrophobicContact CG1-CD2 4.14Å; V1242-W1336 HydrophobicContact CG1-CG 3.71Å; V1242-W1336 HydrophobicContact CG2-CB 4.19Å |
| 1243 | N | 90.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.5 | 170.2 | -61.6 | -13.5 | 0 | 0 | 0 | 108 | F1250 | N1243-F1250 PolarHBondContact N-O 3.45Å; N1243-F1250 PolarHBondContact O-N 3.24Å |
| 1244 | S | 88.6 | Confident | 91.9 | Very high | 86 Ų | 86 | 52 Ų | 52 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.8 | 170.4 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | W1336 | S1244-W1336 PolarHBondContact OG-NE1 2.79Å |
| 1245 | Q | 86.7 | Confident | 92 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -126.2 | 166.5 | 165.8 | -67.2 | -172.4 | -43.4 | 0 | 0 | 109.1 | D1247 G1248 F1250 | Q1245-D1247 WeakPolarHBondContact CB-OD1 3.18Å; Q1245-D1247 PolarHBondContact O-N 3Å; Q1245-G1248 PolarHBondContact N-O 2.82Å; Q1245-G1248 VanDerWaalsContact O-O 3.11Å; Q1245-F1250 HydrophobicContact CG-CB 3.96Å; Q1245-F1250 VanDerWaalsContact OE1-CD2 3.31Å | ||
| 1246 | S | 84.2 | Confident | 92.2 | Very high | 129 Ų | 129 | 53.8 Ų | 53.8 | 90% | 0.902 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -67.2 | -24 | -177.1 | 41.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1247 | D | 88 | Confident | 91.8 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -103.9 | -11.3 | -176.8 | 56.1 | -4.4 | 0 | 0 | 0 | 113.7 | Q1245 L1297 S1299 V1300 | Q1245-D1247 WeakPolarHBondContact CB-OD1 3.18Å; Q1245-D1247 PolarHBondContact O-N 3Å; D1247-L1297 HydrophobicContact CB-CD2 4.39Å; D1247-L1297 WeakPolarHBondContact OD2-CD2 3.3Å; D1247-S1299 CarbonylContact O-C 3.55Å; D1247-S1299 WeakPolarHBondContact O-CA 3.49Å; D1247-V1300 PolarHBondContact O-N 3.1Å |
| 1248 | G | 88.9 | Confident | 91.2 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | -165.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1245 I1298 | Q1245-G1248 PolarHBondContact N-O 2.82Å; Q1245-G1248 VanDerWaalsContact O-O 3.11Å; G1248-I1298 CarbonylContact C-O 3.57Å; G1248-I1298 WeakPolarHBondContact CA-O 3.02Å |
| 1249 | A | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V1242 I1298 L1303 F1318 W1336 | V1242-A1249 HydrophobicContact CG1-CB 3.83Å; A1249-I1298 PolarHBondContact N-O 2.96Å; A1249-I1298 PolarHBondContact O-N 2.81Å; A1249-L1303 HydrophobicContact CB-CD1 4.02Å; A1249-F1318 HydrophobicContact CB-CE1 4.27Å; A1249-F1318 HydrophobicContact CB-CZ 3.83Å; A1249-W1336 HydrophobicContact CB-CD2 4.42Å; A1249-W1336 HydrophobicContact CB-CE3 4.21Å; A1249-W1336 HydrophobicContact CB-CH2 4.05Å; A1249-W1336 HydrophobicContact CB-CZ2 4.28Å; A1249-W1336 HydrophobicContact CB-CZ3 4.02Å |
| 1250 | F | 95.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.5 | 178.9 | -171.8 | -90.5 | 0 | 0 | 0 | 110.5 | V1242 N1243 Q1245 V1252 N1295 L1297 | V1242-F1250 CarbonylContact C-O 3.51Å; V1242-F1250 WeakPolarHBondContact CA-O 3.2Å; N1243-F1250 PolarHBondContact N-O 3.45Å; N1243-F1250 PolarHBondContact O-N 3.24Å; Q1245-F1250 HydrophobicContact CG-CB 3.96Å; Q1245-F1250 VanDerWaalsContact OE1-CD2 3.31Å; F1250-V1252 HydrophobicContact CE1-CB 4.39Å; F1250-N1295 HydrophobicContact CE1-CB 4.2Å; F1250-N1295 HydrophobicContact CZ-CB 3.89Å; F1250-L1297 HydrophobicContact CB-CD1 4.38Å; F1250-L1297 HydrophobicContact CD2-CB 4.34Å |
| 1251 | I | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 137.3 | -173.4 | -45.3 | 172 | 0 | 0 | 0 | 108.4 | V1240 K1241 V1242 W1253 V1268 N1295 C1296 I1298 F1318 V1320 | V1240-I1251 HydrophobicContact CG1-CG2 4.32Å; K1241-I1251 WeakPolarHBondContact O-CA 3.34Å; K1241-I1251 WeakPolarHBondContact O-CG2 3.26Å; V1242-I1251 HydrophobicContact CG1-CG1 4.43Å; V1242-I1251 HydrophobicContact CG2-CG1 4.32Å; V1242-I1251 HydrophobicContact CG2-CG2 4.44Å; I1251-W1253 HydrophobicContact CB-CE3 4.49Å; I1251-W1253 HydrophobicContact CB-CZ3 4.08Å; I1251-W1253 HydrophobicContact CG2-CE3 3.89Å; I1251-W1253 HydrophobicContact CG2-CZ3 3.89Å; I1251-V1268 HydrophobicContact CD1-CG1 3.8Å; I1251-N1295 CarbonylContact O-C 3.59Å; I1251-N1295 WeakPolarHBondContact O-CA 3.34Å; I1251-N1295 VanDerWaalsContact O-CB 3.26Å; I1251-N1295 WeakPolarHBondContact O-CB 3.31Å; I1251-C1296 PolarHBondContact N-O 3.22Å; I1251-C1296 PolarHBondContact O-N 3.41Å; I1251-I1298 HydrophobicContact CD1-CD1 4.4Å; I1251-I1298 HydrophobicContact CD1-CG1 3.56Å; I1251-I1298 HydrophobicContact CG1-CG1 4.39Å; I1251-F1318 HydrophobicContact CD1-CB 4.41Å; I1251-F1318 HydrophobicContact CD1-CD1 3.22Å; I1251-F1318 HydrophobicContact CD1-CE1 3.63Å; I1251-F1318 HydrophobicContact CD1-CG 4.01Å; I1251-F1318 HydrophobicContact CG1-CD1 4.21Å; I1251-F1318 HydrophobicContact CG1-CE1 4.42Å; I1251-V1320 HydrophobicContact CG2-CG2 4.41Å |
| 1252 | V | 96.2 | Very high | 88.1 | Confident | 49 Ų | 49 | 55 Ų | 55 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.9 | 177.2 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | V1240 K1241 F1250 N1295 | V1240-V1252 WeakPolarHBondContact CA-O 3.31Å; K1241-V1252 HydrophobicContact CB-CG1 4.08Å; K1241-V1252 PolarHBondContact N-O 3.27Å; K1241-V1252 PolarHBondContact O-N 3.47Å; F1250-V1252 HydrophobicContact CE1-CB 4.39Å; V1252-N1295 HydrophobicContact CB-CB 4.29Å; V1252-N1295 HydrophobicContact CG2-CB 4.31Å |
| 1253 | W | 96.5 | Very high | 87.8 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.023 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.7 | 179.7 | 56.3 | 93.6 | 0 | 0 | 0 | 112.4 | P1237 V1240 I1251 Y1266 V1268 Y1289 Q1293 R1294 C1296 V1320 | P1237-W1253 HydrophobicContact CB-CB 4.29Å; P1237-W1253 HydrophobicContact CB-CG 4.34Å; V1240-W1253 HydrophobicContact CB-CB 4.41Å; V1240-W1253 HydrophobicContact CG1-CB 4.48Å; V1240-W1253 HydrophobicContact CG2-CB 3.89Å; I1251-W1253 HydrophobicContact CB-CE3 4.49Å; I1251-W1253 HydrophobicContact CB-CZ3 4.08Å; I1251-W1253 HydrophobicContact CG2-CE3 3.89Å; I1251-W1253 HydrophobicContact CG2-CZ3 3.89Å; W1253-Y1266 AromaticContact CD1-CD1 3.83Å; W1253-Y1266 AromaticContact CD1-CE1 3.72Å; W1253-Y1266 AromaticContact CE2-CG 3.99Å; W1253-Y1266 HydrophobicContact CZ2-CD1 4.5Å; W1253-Y1266 HydrophobicContact CZ2-CG 4.05Å; W1253-Y1266 AromaticContact NE1-CD1 3.1Å; W1253-Y1266 AromaticContact NE1-CD2 3.81Å; W1253-Y1266 AromaticContact NE1-CE1 3.36Å; W1253-Y1266 AromaticContact NE1-CG 3.35Å; W1253-Y1266 AromaticContact NE1-CZ 3.86Å; W1253-V1268 HydrophobicContact CH2-CG2 3.56Å; W1253-V1268 HydrophobicContact CZ2-CG2 4.26Å; W1253-V1268 HydrophobicContact CZ3-CG2 3.8Å; W1253-Y1289 HydrophobicContact CH2-CD1 4.19Å; W1253-Y1289 HydrophobicContact CH2-CE1 4.32Å; W1253-Y1289 HydrophobicContact CZ2-CE1 4.41Å; W1253-Q1293 VanDerWaalsContact CZ2-O 3.25Å; W1253-Q1293 WeakPolarHBondContact CZ2-O 3.26Å; W1253-R1294 PolarHBondContact N-O 2.71Å; W1253-C1296 HydrophobicContact CH2-CB 4.38Å; W1253-V1320 HydrophobicContact CD2-CG1 3.63Å; W1253-V1320 HydrophobicContact CD2-CG2 4.29Å; W1253-V1320 HydrophobicContact CE3-CG1 4.08Å; W1253-V1320 HydrophobicContact CE3-CG2 4Å; W1253-V1320 HydrophobicContact CG-CG1 3.92Å; W1253-V1320 HydrophobicContact CZ2-CG1 4.1Å; W1253-V1320 HydrophobicContact CZ3-CG2 4.44Å |
| 1254 | E | 93.7 | Very high | 87.7 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 156.2 | 167.7 | -70.8 | 178.2 | 139.1 | 0 | 0 | 109.9 | P1237 Q1238 S1239 | P1237-E1254 CarbonylContact C-O 3.58Å; Q1238-E1254 HydrophobicContact CB-CB 3.91Å; Q1238-E1254 PolarHBondContact N-O 3.13Å; Q1238-E1254 PolarHBondContact O-N 2.9Å; S1239-E1254 WeakPolarHBondContact CB-OE2 3.18Å; S1239-E1254 PolarHBondContact OG-OE2 2.9Å |
| 1255 | P | 92.7 | Very high | 87.9 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 160.7 | 176.8 | -26 | 35.9 | 0 | 0 | 0 | 113.5 | Q1238 | Q1238-P1255 PolarHBondContact NE2-O 2.84Å |
| 1256 | P | 91.8 | Very high | 88.4 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.3 | 141.8 | 163.9 | -30.9 | 38.5 | 0 | 0 | 0 | 112.3 | P1234 S1235 D1258 I1263 A1322 | P1234-P1256 HydrophobicContact CB-CB 4.2Å; P1234-P1256 HydrophobicContact CB-CG 3.89Å; S1235-P1256 WeakPolarHBondContact O-CB 3.14Å; S1235-P1256 WeakPolarHBondContact O-CG 3.47Å; S1235-P1256 WeakPolarHBondContact OG-CA 3.29Å; S1235-P1256 WeakPolarHBondContact OG-CB 3.46Å; P1256-D1258 VanDerWaalsContact C-N 3.26Å; P1256-I1263 HydrophobicContact CG-CD1 4.19Å; P1256-I1263 HydrophobicContact CG-CG1 4.43Å; P1256-A1322 HydrophobicContact CG-CB 3.45Å; P1256-A1322 VanDerWaalsContact CG-CB 3.45Å |
| 1257 | A | 85.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -62.1 | -41.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1235 | S1235-A1257 PolarHBondContact OG-N 2.87Š|
| 1258 | D | 82.2 | Confident | 89.3 | Confident | 80 Ų | 80 | 38.7 Ų | 38.7 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | trans | -120.5 | 108.6 | 172.9 | -46 | -61.2 | 0 | 0 | 0 | 108.8 | S1235 P1256 Y1260 | S1235-D1258 PolarHBondContact N-O 2.88Å; S1235-D1258 PolarHBondContact OG-N 2.76Å; P1256-D1258 VanDerWaalsContact C-N 3.26Å; D1258-Y1260 HydrophobicContact CB-CD1 4.42Å; D1258-Y1260 HydrophobicContact CB-CD2 3.87Å; D1258-Y1260 HydrophobicContact CB-CE1 3.86Å; D1258-Y1260 HydrophobicContact CB-CE2 3.26Å; D1258-Y1260 HydrophobicContact CB-CG 4.42Å; D1258-Y1260 WeakPolarHBondContact CB-OH 3.45Å; D1258-Y1260 PolarHBondContact OD2-OH 3.18Å | ||
| 1259 | S | 80.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | trans | -81.9 | -22 | 178.5 | 68 | 0 | 0 | 0 | 0 | 113.6 | G1261 N1324 | S1259-G1261 VanDerWaalsContact CB-O 3.29Å; S1259-G1261 WeakPolarHBondContact CB-O 3.42Å; S1259-G1261 PolarHBondContact O-N 2.91Å; S1259-G1261 PolarHBondContact OG-O 2.85Å; S1259-N1324 PolarHBondContact O-ND2 3.45Å | ||
| 1260 | Y | 71.6 | Confident | 89.7 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 47.8 | 25.2 | -176.1 | -56.2 | -70.9 | 0 | 0 | 0 | 115.7 | H1229 G1232 Y1233 D1258 N1324 | H1229-Y1260 HydrophobicContact CB-CD1 4.17Å; H1229-Y1260 HydrophobicContact CB-CE1 3.6Å; H1229-Y1260 AromaticContact CG-CE1 3.92Å; G1232-Y1260 WeakPolarHBondContact O-CB 3.17Å; Y1233-Y1260 WeakPolarHBondContact O-CD2 3.13Å; D1258-Y1260 HydrophobicContact CB-CD1 4.42Å; D1258-Y1260 HydrophobicContact CB-CD2 3.87Å; D1258-Y1260 HydrophobicContact CB-CE1 3.86Å; D1258-Y1260 HydrophobicContact CB-CE2 3.26Å; D1258-Y1260 HydrophobicContact CB-CG 4.42Å; D1258-Y1260 WeakPolarHBondContact CB-OH 3.45Å; D1258-Y1260 PolarHBondContact OD2-OH 3.18Å; Y1260-N1324 PolarHBondContact O-ND2 2.9Å |
| 1261 | G | 75.5 | Confident | 89.4 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 157.9 | -175.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1259 | S1259-G1261 VanDerWaalsContact CB-O 3.29Å; S1259-G1261 WeakPolarHBondContact CB-O 3.42Å; S1259-G1261 PolarHBondContact O-N 2.91Å; S1259-G1261 PolarHBondContact OG-O 2.85Å |
| 1262 | V | 80.7 | Confident | 89 | Confident | 106 Ų | 106 | 40.2 Ų | 40.2 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | trans | -72.6 | 134.2 | 169 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | N1264 N1324 | V1262-N1264 WeakPolarHBondContact CG1-OD1 3.19Å; V1262-N1264 PolarHBondContact O-N 2.86Å; V1262-N1264 PolarHBondContact O-OD1 2.99Å; V1262-N1324 WeakPolarHBondContact O-CA 3.36Å; V1262-N1324 WeakPolarHBondContact O-CB 3.43Å | ||
| 1263 | I | 88 | Confident | 88 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.185 | 25% | 0.245 | C | C | . | . | trans | -81.4 | 104 | 169.4 | -56.6 | -52.4 | 0 | 0 | 0 | 108.1 | P1234 P1256 E1265 Y1266 A1322 R1323 N1324 | P1234-I1263 HydrophobicContact CB-CD1 3.83Å; P1234-I1263 HydrophobicContact CG-CD1 3.52Å; P1256-I1263 HydrophobicContact CG-CD1 4.19Å; P1256-I1263 HydrophobicContact CG-CG1 4.43Å; I1263-E1265 WeakPolarHBondContact CG2-O 3.27Å; I1263-Y1266 HydrophobicContact CG2-CD1 4.49Å; I1263-Y1266 HydrophobicContact CG2-CD2 4.24Å; I1263-Y1266 HydrophobicContact CG2-CE1 4.08Å; I1263-Y1266 HydrophobicContact CG2-CE2 3.77Å; I1263-A1322 HydrophobicContact CD1-CB 4.06Å; I1263-A1322 HydrophobicContact CG2-CB 3.98Å; I1263-R1323 CarbonylContact C-O 3.47Å; I1263-R1323 WeakPolarHBondContact CA-O 3.38Å; I1263-N1324 HydrophobicContact CD1-CB 4.34Å | ||
| 1264 | N | 88.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 46.6 Ų | 46.6 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | trans | -80.6 | -26.4 | -177 | -61.9 | -12.8 | 0 | 0 | 0 | 111.5 | V1262 R1323 | V1262-N1264 WeakPolarHBondContact CG1-OD1 3.19Å; V1262-N1264 PolarHBondContact O-N 2.86Å; V1262-N1264 PolarHBondContact O-OD1 2.99Å; N1264-R1323 PolarHBondContact N-O 2.93Å | ||
| 1265 | E | 93.3 | Very high | 84.6 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 147.2 | -172.8 | -167.8 | -148.4 | 109.6 | 0 | 0 | 111 | I1263 S1267 M1290 R1323 Y1328 | I1263-E1265 WeakPolarHBondContact CG2-O 3.27Å; E1265-S1267 PolarHBondContact OE1-OG 3Å; E1265-M1290 VanDerWaalsContact CD-CG 3.47Å; E1265-M1290 HydrophobicContact CG-CG 3.95Å; E1265-M1290 WeakPolarHBondContact OE1-CG 3.46Å; E1265-R1323 HydrophobicContact CB-CB 4.23Å; E1265-R1323 PolarHBondContact O-N 3.38Å; E1265-R1323 IonicContact OE2-NH1 3.92Å; E1265-R1323 PolarHBondContact OE2-NH1 2.73Å; E1265-Y1328 VanDerWaalsContact CD-OH 3.27Å; E1265-Y1328 VanDerWaalsContact OE1-CE1 3.29Å; E1265-Y1328 WeakPolarHBondContact OE1-CE1 3.35Å; E1265-Y1328 PolarHBondContact OE1-OH 2.87Å; E1265-Y1328 PolarHBondContact OE2-OH 2.87Å |
| 1266 | Y | 96.4 | Very high | 82.8 | Confident | 12 Ų | 12 | 49 Ų | 49 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.5 | 159 | -63.2 | -88 | 0 | 0 | 0 | 109.2 | P1237 W1253 I1263 M1290 G1291 Q1293 R1294 V1320 A1321 A1322 | P1237-Y1266 HydrophobicContact CG-CD1 4.36Å; P1237-Y1266 HydrophobicContact CG-CE1 4.35Å; W1253-Y1266 AromaticContact CD1-CD1 3.83Å; W1253-Y1266 AromaticContact CD1-CE1 3.72Å; W1253-Y1266 AromaticContact CE2-CG 3.99Å; W1253-Y1266 HydrophobicContact CZ2-CD1 4.5Å; W1253-Y1266 HydrophobicContact CZ2-CG 4.05Å; W1253-Y1266 AromaticContact NE1-CD1 3.1Å; W1253-Y1266 AromaticContact NE1-CD2 3.81Å; W1253-Y1266 AromaticContact NE1-CE1 3.36Å; W1253-Y1266 AromaticContact NE1-CG 3.35Å; W1253-Y1266 AromaticContact NE1-CZ 3.86Å; I1263-Y1266 HydrophobicContact CG2-CD1 4.49Å; I1263-Y1266 HydrophobicContact CG2-CD2 4.24Å; I1263-Y1266 HydrophobicContact CG2-CE1 4.08Å; I1263-Y1266 HydrophobicContact CG2-CE2 3.77Å; Y1266-M1290 WeakPolarHBondContact O-CA 3.31Å; Y1266-G1291 PolarHBondContact N-O 2.71Å; Y1266-G1291 PolarHBondContact O-N 2.88Å; Y1266-Q1293 WeakPolarHBondContact CD2-O 3.5Å; Y1266-R1294 HydrophobicContact CE2-CG 4.02Å; Y1266-V1320 HydrophobicContact CD1-CG1 4.38Å; Y1266-A1321 WeakPolarHBondContact CA-O 3.33Å; Y1266-A1322 HydrophobicContact CD1-CB 3.81Å; Y1266-A1322 HydrophobicContact CE1-CB 3.68Å |
| 1267 | S | 94.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.3 | 169.7 | -89.7 | 0 | 0 | 0 | 0 | 109.9 | E1265 Y1289 A1321 Y1328 | E1265-S1267 PolarHBondContact OE1-OG 3Å; S1267-Y1289 WeakPolarHBondContact CA-O 3.47Å; S1267-A1321 PolarHBondContact N-O 2.94Å; S1267-A1321 PolarHBondContact O-N 3.48Å; S1267-Y1328 PolarHBondContact OG-OH 3.11Å |
| 1268 | V | 96 | Very high | 78.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.5 | 172.7 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | I1251 W1253 V1270 A1288 Y1289 R1319 V1320 | I1251-V1268 HydrophobicContact CD1-CG1 3.8Å; W1253-V1268 HydrophobicContact CH2-CG2 3.56Å; W1253-V1268 HydrophobicContact CZ2-CG2 4.26Å; W1253-V1268 HydrophobicContact CZ3-CG2 3.8Å; V1268-V1270 HydrophobicContact CG1-CG2 4.5Å; V1268-A1288 PolarHBondContact O-N 2.92Å; V1268-Y1289 HydrophobicContact CG2-CD1 4.08Å; V1268-Y1289 PolarHBondContact N-O 2.81Å; V1268-Y1289 PolarHBondContact O-N 2.83Å; V1268-R1319 CarbonylContact C-O 3.59Å; V1268-R1319 WeakPolarHBondContact CA-O 3.23Å; V1268-V1320 HydrophobicContact CG1-CG2 4.42Å; V1268-V1320 HydrophobicContact CG2-CG1 4.23Å; V1268-V1320 HydrophobicContact CG2-CG2 4.12Å |
| 1269 | F | 95.4 | Very high | 76.5 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 23% | 0.232 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.4 | 178.7 | -60.4 | -95.7 | 0 | 0 | 0 | 111 | F1285 A1286 R1287 F1318 R1319 | F1269-F1285 HydrophobicContact CB-CB 4.16Å; F1269-F1285 HydrophobicContact CB-CD1 4.07Å; F1269-A1286 CarbonylContact C-O 3.55Å; F1269-A1286 VanDerWaalsContact CA-O 3.23Å; F1269-A1286 WeakPolarHBondContact CA-O 3.39Å; F1269-R1287 HydrophobicContact CD1-CB 3.86Å; F1269-R1287 HydrophobicContact CD1-CG 4.22Å; F1269-R1287 HydrophobicContact CE1-CB 3.8Å; F1269-R1287 HydrophobicContact CE1-CG 3.99Å; F1269-R1287 HydrophobicContact CZ-CG 4.32Å; F1269-F1318 CarbonylContact O-C 3.6Å; F1269-F1318 WeakPolarHBondContact O-CA 3.4Å; F1269-R1319 HydrophobicContact CB-CB 4.34Å; F1269-R1319 PolarHBondContact N-O 3.16Å; F1269-R1319 PolarHBondContact O-N 3.22Å |
| 1270 | V | 93.7 | Very high | 74.8 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134 | -173.4 | -169.1 | 0 | 0 | 0 | 0 | 110.5 | V1268 F1285 A1286 A1288 L1303 L1306 F1316 I1317 F1318 | V1268-V1270 HydrophobicContact CG1-CG2 4.5Å; V1270-F1285 WeakPolarHBondContact O-CA 3.25Å; V1270-A1286 PolarHBondContact N-O 2.84Å; V1270-A1286 PolarHBondContact O-N 3.33Å; V1270-A1288 HydrophobicContact CB-CB 4.38Å; V1270-A1288 HydrophobicContact CG2-CB 3.52Å; V1270-L1303 HydrophobicContact CG1-CD2 4.33Å; V1270-L1306 HydrophobicContact CB-CD1 3.94Å; V1270-L1306 HydrophobicContact CG1-CD1 3.75Å; V1270-F1316 HydrophobicContact CG1-CB 4.32Å; V1270-F1316 HydrophobicContact CG1-CD1 3.97Å; V1270-I1317 WeakPolarHBondContact CA-O 3.31Å; V1270-F1318 HydrophobicContact CB-CD1 4.27Å; V1270-F1318 HydrophobicContact CB-CE1 4.33Å; V1270-F1318 HydrophobicContact CG1-CD1 3.95Å; V1270-F1318 HydrophobicContact CG1-CE1 3.68Å; V1270-F1318 HydrophobicContact CG1-CZ 4.11Å; V1270-F1318 HydrophobicContact CG2-CD1 3.43Å; V1270-F1318 VanDerWaalsContact CG2-CD1 3.43Å; V1270-F1318 HydrophobicContact CG2-CE1 3.63Å; V1270-F1318 HydrophobicContact CG2-CG 4.44Å |
| 1271 | A | 90.1 | Very high | 73.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1283 T1284 F1285 F1316 I1317 | A1271-L1283 HydrophobicContact CB-CB 4.34Å; A1271-L1283 HydrophobicContact CB-CD2 4.24Å; A1271-T1284 VanDerWaalsContact CB-O 3.32Å; A1271-T1284 WeakPolarHBondContact CB-O 3.19Å; A1271-F1285 HydrophobicContact CB-CD1 3.64Å; A1271-F1285 HydrophobicContact CB-CD2 4.03Å; A1271-F1285 HydrophobicContact CB-CE1 3.69Å; A1271-F1285 HydrophobicContact CB-CE2 4.07Å; A1271-F1285 HydrophobicContact CB-CG 3.81Å; A1271-F1285 HydrophobicContact CB-CZ 3.91Å; A1271-F1316 WeakPolarHBondContact O-CA 3.39Å; A1271-I1317 PolarHBondContact N-O 3.27Å; A1271-I1317 PolarHBondContact O-N 3.23Å |
| 1272 | A | 86.8 | Confident | 73 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 26% | 0.256 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | L1306 T1314 F1316 | A1272-L1306 HydrophobicContact CB-CB 4.29Å; A1272-T1314 HydrophobicContact CB-CG2 3.86Å; A1272-F1316 HydrophobicContact CB-CD1 4.2Å; A1272-F1316 HydrophobicContact CB-CE1 4.1Å |
| 1273 | R | 74.5 | Confident | 72.5 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 53% | 0.525 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.5 | 174.9 | -175.3 | 172.9 | 179.4 | 169.8 | 1.2 | 110.3 | L1283 R1315 I1317 | R1273-L1283 HydrophobicContact CB-CD2 3.99Å; R1273-L1283 HydrophobicContact CG-CD2 4.29Å; R1273-R1315 PolarHBondContact N-O 3.24Å; R1273-I1317 HydrophobicContact CB-CD1 4.15Å |
| 1274 | N | 62.9 | Low | 72 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | trans | -66.8 | 132.9 | 174.2 | -150.6 | 68.1 | 0 | 0 | 0 | 110.4 | R1310 | N1274-R1310 VanDerWaalsContact CG-NH1 3.28Å; N1274-R1310 WeakPolarHBondContact OD1-CD 3.28Å; N1274-R1310 PolarHBondContact OD1-NH1 2.74Å | ||
| 1275 | S | 55.5 | Low | 72.1 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 80% | 0.797 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -76.6 | -29.3 | -179.9 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1276 | A | 55.9 | Low | 71.9 | Confident | 87 Ų | 87 | 74 Ų | 74 | 72% | 0.719 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -88 | -2.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1277 | T | 46.7 | Very low | 71.7 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | trans | -112.1 | 110.6 | -174.5 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | L1279 | T1277-L1279 VanDerWaalsContact C-N 3.34Å; T1277-L1279 PolarHBondContact O-N 2.86Å | ||
| 1278 | A | 41.1 | Very low | 71.5 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 94% | 0.942 | 46% | 0.457 | S | S | * | . | trans | -74 | -19.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1279 | L | 38.9 | Very low | 71.5 | Confident | 145 Ų | 145 | 82.8 Ų | 82.8 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -75.7 | 140.9 | 175.3 | -77.9 | 163.3 | 0 | 0 | 0 | 111.5 | T1277 S1281 | T1277-L1279 VanDerWaalsContact C-N 3.34Å; T1277-L1279 PolarHBondContact O-N 2.86Å; L1279-S1281 VanDerWaalsContact C-N 3.26Å; L1279-S1281 PolarHBondContact O-N 2.89Å |
| 1280 | P | 44 | Very low | 71.4 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 81% | 0.812 | 48% | 0.481 | S | S | * | . | trans | -77.6 | 71.4 | 179.2 | 33.2 | -36.2 | 0 | 0 | 0 | 111.7 | R1282 | P1280-R1282 PolarHBondContact O-N 2.96Š| ||
| 1281 | S | 51.1 | Low | 71.3 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | trans | -58.4 | 132.3 | 167.6 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | L1279 L1283 | L1279-S1281 VanDerWaalsContact C-N 3.26Å; L1279-S1281 PolarHBondContact O-N 2.89Å; S1281-L1283 PolarHBondContact O-N 3.11Å; S1281-L1283 VanDerWaalsContact O-N 3.12Å | ||
| 1282 | R | 58.6 | Low | 71.2 | Confident | 243 Ų | 243 | 91.8 Ų | 91.8 | 92% | 0.917 | 52% | 0.519 | S | S | * | . | trans | -55.5 | 117.7 | 177.2 | -75.7 | -178.5 | 172.9 | 178.5 | -2.3 | 110 | P1280 T1284 | P1280-R1282 PolarHBondContact O-N 2.96Å; R1282-T1284 PolarHBondContact O-N 3.19Å; R1282-T1284 VanDerWaalsContact O-N 3.11Å | ||
| 1283 | L | 70.5 | Confident | 71.5 | Confident | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.356 | 53% | 0.531 | S | S | . | . | trans | -68.5 | 105.1 | 173.8 | -76.3 | 163.8 | 0 | 0 | 0 | 109.7 | A1271 R1273 S1281 F1285 I1317 | A1271-L1283 HydrophobicContact CB-CB 4.34Å; A1271-L1283 HydrophobicContact CB-CD2 4.24Å; R1273-L1283 HydrophobicContact CB-CD2 3.99Å; R1273-L1283 HydrophobicContact CG-CD2 4.29Å; S1281-L1283 PolarHBondContact O-N 3.11Å; S1281-L1283 VanDerWaalsContact O-N 3.12Å; L1283-F1285 HydrophobicContact CB-CD2 4.38Å; L1283-F1285 HydrophobicContact CB-CE2 3.95Å; L1283-F1285 WeakPolarHBondContact O-CD2 3.26Å; L1283-F1285 PolarHBondContact O-N 3.47Å; L1283-I1317 HydrophobicContact CD1-CD1 3.86Å | ||
| 1284 | T | 78.5 | Confident | 72.3 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 78% | 0.779 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 119.7 | 168.5 | 11.9 | 0 | 0 | 0 | 0 | 109.8 | A1271 R1282 | A1271-T1284 VanDerWaalsContact CB-O 3.32Å; A1271-T1284 WeakPolarHBondContact CB-O 3.19Å; R1282-T1284 PolarHBondContact O-N 3.19Å; R1282-T1284 VanDerWaalsContact O-N 3.11Å |
| 1285 | F | 88.3 | Confident | 73.8 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 24% | 0.241 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 118.2 | 176.8 | -81.6 | -90.7 | 0 | 0 | 0 | 109.9 | F1269 V1270 A1271 L1283 I1317 R1319 | F1269-F1285 HydrophobicContact CB-CB 4.16Å; F1269-F1285 HydrophobicContact CB-CD1 4.07Å; V1270-F1285 WeakPolarHBondContact O-CA 3.25Å; A1271-F1285 HydrophobicContact CB-CD1 3.64Å; A1271-F1285 HydrophobicContact CB-CD2 4.03Å; A1271-F1285 HydrophobicContact CB-CE1 3.69Å; A1271-F1285 HydrophobicContact CB-CE2 4.07Å; A1271-F1285 HydrophobicContact CB-CG 3.81Å; A1271-F1285 HydrophobicContact CB-CZ 3.91Å; L1283-F1285 HydrophobicContact CB-CD2 4.38Å; L1283-F1285 HydrophobicContact CB-CE2 3.95Å; L1283-F1285 WeakPolarHBondContact O-CD2 3.26Å; L1283-F1285 PolarHBondContact O-N 3.47Å; F1285-I1317 HydrophobicContact CE1-CB 4.27Å; F1285-I1317 HydrophobicContact CE1-CG2 4.07Å; F1285-I1317 WeakPolarHBondContact CE1-O 3.42Å; F1285-I1317 HydrophobicContact CZ-CB 4.34Å; F1285-I1317 HydrophobicContact CZ-CG2 3.99Å; F1285-R1319 HydrophobicContact CE1-CB 4.45Å; F1285-R1319 HydrophobicContact CE1-CG 3.85Å; F1285-R1319 HydrophobicContact CZ-CG 4.27Å |
| 1286 | A | 89.6 | Confident | 75.7 | Confident | 33 Ų | 33 | 91.5 Ų | 91.5 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 142.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1269 V1270 A1288 F1302 L1306 | F1269-A1286 CarbonylContact C-O 3.55Å; F1269-A1286 VanDerWaalsContact CA-O 3.23Å; F1269-A1286 WeakPolarHBondContact CA-O 3.39Å; V1270-A1286 PolarHBondContact N-O 2.84Å; V1270-A1286 PolarHBondContact O-N 3.33Å; A1286-A1288 PolarHBondContact O-N 3.48Å; A1286-F1302 HydrophobicContact CB-CE1 4.46Å; A1286-F1302 HydrophobicContact CB-CZ 4.01Å; A1286-L1306 HydrophobicContact CB-CD2 3.96Å |
| 1287 | R | 92.8 | Very high | 77.5 | Confident | 118 Ų | 118 | 90.7 Ų | 90.7 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.5 | 169.4 | -166.2 | -178.5 | -61.1 | 172.5 | 3 | 108.2 | F1269 M1290 | F1269-R1287 HydrophobicContact CD1-CB 3.86Å; F1269-R1287 HydrophobicContact CD1-CG 4.22Å; F1269-R1287 HydrophobicContact CE1-CB 3.8Å; F1269-R1287 HydrophobicContact CE1-CG 3.99Å; F1269-R1287 HydrophobicContact CZ-CG 4.32Å; R1287-M1290 PolarHBondContact NH1-SD 2.68Å |
| 1288 | A | 91.1 | Very high | 79.7 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 22% | 0.223 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -21.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1268 V1270 A1286 I1298 F1302 | V1268-A1288 PolarHBondContact O-N 2.92Å; V1270-A1288 HydrophobicContact CB-CB 4.38Å; V1270-A1288 HydrophobicContact CG2-CB 3.52Å; A1286-A1288 PolarHBondContact O-N 3.48Å; A1288-I1298 HydrophobicContact CB-CD1 3.64Å; A1288-I1298 HydrophobicContact CB-CG1 4.2Å; A1288-I1298 HydrophobicContact CB-CG2 4.05Å; A1288-F1302 HydrophobicContact CB-CD1 4Å; A1288-F1302 HydrophobicContact CB-CE1 3.35Å; A1288-F1302 HydrophobicContact CB-CZ 3.72Å |
| 1289 | Y | 94.7 | Very high | 82.1 | Confident | 51 Ų | 51 | 83.9 Ų | 83.9 | 20% | 0.2 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.5 | 170 | 173.5 | -94.1 | 0 | 0 | 0 | 110 | W1253 S1267 V1268 G1291 Q1293 C1296 | W1253-Y1289 HydrophobicContact CH2-CD1 4.19Å; W1253-Y1289 HydrophobicContact CH2-CE1 4.32Å; W1253-Y1289 HydrophobicContact CZ2-CE1 4.41Å; S1267-Y1289 WeakPolarHBondContact CA-O 3.47Å; V1268-Y1289 HydrophobicContact CG2-CD1 4.08Å; V1268-Y1289 PolarHBondContact N-O 2.81Å; V1268-Y1289 PolarHBondContact O-N 2.83Å; Y1289-G1291 VanDerWaalsContact OH-C 3.31Å; Y1289-G1291 WeakPolarHBondContact OH-CA 2.97Å; Y1289-Q1293 WeakPolarHBondContact OH-CB 3Å; Y1289-Q1293 PolarHBondContact OH-N 3.25Å; Y1289-Q1293 VanDerWaalsContact OH-N 3.13Å; Y1289-C1296 HydrophobicContact CD1-CB 4.06Å; Y1289-C1296 HydrophobicContact CD2-CB 3.48Å; Y1289-C1296 VanDerWaalsContact CD2-CB 3.48Å; Y1289-C1296 HydrophobicContact CE2-CB 4.06Å; Y1289-C1296 HydrophobicContact CG-CB 3.48Å; Y1289-C1296 VanDerWaalsContact CG-CB 3.48Å |
| 1290 | M | 93.4 | Very high | 84.4 | Confident | 110 Ų | 110 | 79 Ų | 79 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 118.9 | 174.3 | -167.6 | -179.5 | 83.6 | 0 | 0 | 108.2 | E1265 Y1266 R1287 | E1265-M1290 VanDerWaalsContact CD-CG 3.47Å; E1265-M1290 HydrophobicContact CG-CG 3.95Å; E1265-M1290 WeakPolarHBondContact OE1-CG 3.46Å; Y1266-M1290 WeakPolarHBondContact O-CA 3.31Å; R1287-M1290 PolarHBondContact NH1-SD 2.68Å |
| 1291 | G | 91.6 | Very high | 86.5 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -177.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1266 Y1289 | Y1266-G1291 PolarHBondContact N-O 2.71Å; Y1266-G1291 PolarHBondContact O-N 2.88Å; Y1289-G1291 VanDerWaalsContact OH-C 3.31Å; Y1289-G1291 WeakPolarHBondContact OH-CA 2.97Å |
| 1292 | N | 89.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -89.9 | -7.6 | -172.8 | 61.8 | 0.7 | 0 | 0 | 0 | 114.7 | ||
| 1293 | Q | 91.9 | Very high | 89.9 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | trans | -72.8 | 157.1 | 178.8 | -56.6 | -60.9 | -20.5 | 0 | 0 | 111.2 | W1253 Y1266 Y1289 N1295 | W1253-Q1293 VanDerWaalsContact CZ2-O 3.25Å; W1253-Q1293 WeakPolarHBondContact CZ2-O 3.26Å; Y1266-Q1293 WeakPolarHBondContact CD2-O 3.5Å; Y1289-Q1293 WeakPolarHBondContact OH-CB 3Å; Y1289-Q1293 PolarHBondContact OH-N 3.25Å; Y1289-Q1293 VanDerWaalsContact OH-N 3.13Å; Q1293-N1295 VanDerWaalsContact C-N 3.34Å | ||
| 1294 | R | 92.3 | Very high | 90.6 | Very high | 144 Ų | 144 | 62.9 Ų | 62.9 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -98.3 | 13.9 | 179.7 | -69.6 | 174.8 | -70.5 | 155.2 | -0.4 | 113 | W1253 Y1266 | W1253-R1294 PolarHBondContact N-O 2.71Å; Y1266-R1294 HydrophobicContact CE2-CG 4.02Å |
| 1295 | N | 94 | Very high | 90.9 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 160.6 | 177.6 | 54.8 | 9.3 | 0 | 0 | 0 | 109.9 | F1250 I1251 V1252 Q1293 | F1250-N1295 HydrophobicContact CE1-CB 4.2Å; F1250-N1295 HydrophobicContact CZ-CB 3.89Å; I1251-N1295 CarbonylContact O-C 3.59Å; I1251-N1295 WeakPolarHBondContact O-CA 3.34Å; I1251-N1295 VanDerWaalsContact O-CB 3.26Å; I1251-N1295 WeakPolarHBondContact O-CB 3.31Å; V1252-N1295 HydrophobicContact CB-CB 4.29Å; V1252-N1295 HydrophobicContact CG2-CB 4.31Å; Q1293-N1295 VanDerWaalsContact C-N 3.34Å |
| 1296 | C | 94.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 144.2 | 169.6 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | I1251 W1253 Y1289 I1298 | I1251-C1296 PolarHBondContact N-O 3.22Å; I1251-C1296 PolarHBondContact O-N 3.41Å; W1253-C1296 HydrophobicContact CH2-CB 4.38Å; Y1289-C1296 HydrophobicContact CD1-CB 4.06Å; Y1289-C1296 HydrophobicContact CD2-CB 3.48Å; Y1289-C1296 VanDerWaalsContact CD2-CB 3.48Å; Y1289-C1296 HydrophobicContact CE2-CB 4.06Å; Y1289-C1296 HydrophobicContact CG-CB 3.48Å; Y1289-C1296 VanDerWaalsContact CG-CB 3.48Å; C1296-I1298 HydrophobicContact CB-CD1 4.41Å |
| 1297 | L | 94.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.366 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.5 | 163.5 | 178.7 | 67.2 | 0 | 0 | 0 | 108.7 | D1247 F1250 | D1247-L1297 HydrophobicContact CB-CD2 4.39Å; D1247-L1297 WeakPolarHBondContact OD2-CD2 3.3Å; F1250-L1297 HydrophobicContact CB-CD1 4.38Å; F1250-L1297 HydrophobicContact CD2-CB 4.34Å |
| 1298 | I | 93.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.9 | 167.9 | -52.3 | -50.8 | 0 | 0 | 0 | 107.7 | G1248 A1249 I1251 A1288 C1296 F1302 L1303 F1318 | G1248-I1298 CarbonylContact C-O 3.57Å; G1248-I1298 WeakPolarHBondContact CA-O 3.02Å; A1249-I1298 PolarHBondContact N-O 2.96Å; A1249-I1298 PolarHBondContact O-N 2.81Å; I1251-I1298 HydrophobicContact CD1-CD1 4.4Å; I1251-I1298 HydrophobicContact CD1-CG1 3.56Å; I1251-I1298 HydrophobicContact CG1-CG1 4.39Å; A1288-I1298 HydrophobicContact CB-CD1 3.64Å; A1288-I1298 HydrophobicContact CB-CG1 4.2Å; A1288-I1298 HydrophobicContact CB-CG2 4.05Å; C1296-I1298 HydrophobicContact CB-CD1 4.41Å; I1298-F1302 HydrophobicContact CG2-CB 4.34Å; I1298-F1302 HydrophobicContact CG2-CD1 3.69Å; I1298-F1302 HydrophobicContact CG2-CE1 4.43Å; I1298-F1302 HydrophobicContact CG2-CG 4.32Å; I1298-L1303 HydrophobicContact CG2-CD2 3.99Å; I1298-L1303 HydrophobicContact CG2-CG 4.13Å; I1298-F1318 HydrophobicContact CG1-CE1 4.28Å |
| 1299 | S | 91.1 | Very high | 87.6 | Confident | 42 Ų | 42 | 67 Ų | 67 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 151.5 | -170.5 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | D1247 S1301 F1302 L1303 | D1247-S1299 CarbonylContact O-C 3.55Å; D1247-S1299 WeakPolarHBondContact O-CA 3.49Å; S1299-S1301 PolarHBondContact O-N 2.83Å; S1299-S1301 PolarHBondContact OG-OG 2.98Å; S1299-F1302 PolarHBondContact O-N 3.34Å; S1299-F1302 VanDerWaalsContact O-N 3.11Å; S1299-F1302 PolarHBondContact OG-N 3.33Å; S1299-L1303 WeakPolarHBondContact O-CG 3.4Å; S1299-L1303 PolarHBondContact O-N 3.07Å |
| 1300 | V | 87.4 | Confident | 85.8 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -49.1 | -42.2 | 168.3 | 157.8 | 0 | 0 | 0 | 0 | 111.5 | D1247 F1302 L1303 D1304 | D1247-V1300 PolarHBondContact O-N 3.1Å; V1300-F1302 PolarHBondContact O-N 3.02Å; V1300-L1303 PolarHBondContact O-N 2.88Å; V1300-D1304 WeakPolarHBondContact CG1-OD2 3.49Å; V1300-D1304 WeakPolarHBondContact O-CB 3.34Å; V1300-D1304 PolarHBondContact O-N 2.71Å |
| 1301 | S | 88.2 | Confident | 84.1 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 53% | 0.531 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 179.1 | 52 | 0 | 0 | 0 | 0 | 113.6 | S1299 Q1305 | S1299-S1301 PolarHBondContact O-N 2.83Å; S1299-S1301 PolarHBondContact OG-OG 2.98Å; S1301-Q1305 WeakPolarHBondContact O-CG 3.4Å; S1301-Q1305 PolarHBondContact O-N 3.28Å |
| 1302 | F | 91.3 | Very high | 82.6 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 23% | 0.232 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 175.5 | -171.9 | -87.9 | 0 | 0 | 0 | 111.6 | A1286 A1288 I1298 S1299 V1300 Q1305 L1306 | A1286-F1302 HydrophobicContact CB-CE1 4.46Å; A1286-F1302 HydrophobicContact CB-CZ 4.01Å; A1288-F1302 HydrophobicContact CB-CD1 4Å; A1288-F1302 HydrophobicContact CB-CE1 3.35Å; A1288-F1302 HydrophobicContact CB-CZ 3.72Å; I1298-F1302 HydrophobicContact CG2-CB 4.34Å; I1298-F1302 HydrophobicContact CG2-CD1 3.69Å; I1298-F1302 HydrophobicContact CG2-CE1 4.43Å; I1298-F1302 HydrophobicContact CG2-CG 4.32Å; S1299-F1302 PolarHBondContact O-N 3.34Å; S1299-F1302 VanDerWaalsContact O-N 3.11Å; S1299-F1302 PolarHBondContact OG-N 3.33Å; V1300-F1302 PolarHBondContact O-N 3.02Å; F1302-Q1305 PolarHBondContact O-N 3Å; F1302-L1306 HydrophobicContact CD1-CD1 4.13Å; F1302-L1306 HydrophobicContact CE1-CD1 3.81Å; F1302-L1306 HydrophobicContact CE1-CG 4.34Å; F1302-L1306 PolarHBondContact O-N 2.81Å |
| 1303 | L | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 176.1 | -65.1 | 169.7 | 0 | 0 | 0 | 111.8 | A1249 V1270 I1298 S1299 V1300 L1306 C1307 F1316 F1318 W1336 | A1249-L1303 HydrophobicContact CB-CD1 4.02Å; V1270-L1303 HydrophobicContact CG1-CD2 4.33Å; I1298-L1303 HydrophobicContact CG2-CD2 3.99Å; I1298-L1303 HydrophobicContact CG2-CG 4.13Å; S1299-L1303 WeakPolarHBondContact O-CG 3.4Å; S1299-L1303 PolarHBondContact O-N 3.07Å; V1300-L1303 PolarHBondContact O-N 2.88Å; L1303-L1306 WeakPolarHBondContact O-CB 3.47Å; L1303-L1306 PolarHBondContact O-N 3.27Å; L1303-C1307 PolarHBondContact O-N 3.06Å; L1303-C1307 PolarHBondContact O-SG 2.67Å; L1303-F1316 HydrophobicContact CB-CE1 3.98Å; L1303-F1316 HydrophobicContact CB-CE2 4.48Å; L1303-F1316 HydrophobicContact CB-CZ 3.76Å; L1303-F1316 HydrophobicContact CD2-CD1 3.67Å; L1303-F1316 HydrophobicContact CD2-CD2 4.45Å; L1303-F1316 HydrophobicContact CD2-CE1 3.62Å; L1303-F1316 HydrophobicContact CD2-CE2 4.41Å; L1303-F1316 HydrophobicContact CD2-CG 4.09Å; L1303-F1316 HydrophobicContact CD2-CZ 3.99Å; L1303-F1316 HydrophobicContact CG-CE1 4.4Å; L1303-F1316 HydrophobicContact CG-CZ 4.41Å; L1303-F1318 HydrophobicContact CD2-CE1 4.38Å; L1303-F1318 HydrophobicContact CD2-CZ 4.12Å; L1303-W1336 HydrophobicContact CD1-CH2 4.14Å; L1303-W1336 HydrophobicContact CD1-CZ3 4Å |
| 1304 | D | 86.3 | Confident | 81.2 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.2 | -31.9 | 177.8 | -82.5 | -44.3 | 0 | 0 | 0 | 113.4 | V1300 L1306 C1307 K1308 R1338 | V1300-D1304 WeakPolarHBondContact CG1-OD2 3.49Å; V1300-D1304 WeakPolarHBondContact O-CB 3.34Å; V1300-D1304 PolarHBondContact O-N 2.71Å; D1304-L1306 VanDerWaalsContact C-N 3.31Å; D1304-L1306 PolarHBondContact O-N 3.11Å; D1304-C1307 WeakPolarHBondContact O-CB 3.4Å; D1304-C1307 PolarHBondContact O-N 3Å; D1304-K1308 PolarHBondContact O-N 2.95Å; D1304-R1338 IonicContact OD1-CZ 3.53Å; D1304-R1338 IonicContact OD1-NH1 2.77Å; D1304-R1338 PolarHBondContact OD1-NH1 3.16Å; D1304-R1338 IonicContact OD2-CZ 2.74Å; D1304-R1338 IonicContact OD2-NH1 3.34Å; D1304-R1338 PolarHBondContact OD2-NH1 3.33Å; D1304-R1338 IonicContact OD2-NH2 3.33Å; D1304-R1338 PolarHBondContact OD2-NH2 2.87Å |
| 1305 | Q | 85 | Confident | 80.9 | Confident | 142 Ų | 142 | 74.2 Ų | 74.2 | 66% | 0.664 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60 | -41 | 168.5 | -74 | 175.1 | 4.5 | 0 | 0 | 111.5 | S1301 F1302 K1308 | S1301-Q1305 WeakPolarHBondContact O-CG 3.4Å; S1301-Q1305 PolarHBondContact O-N 3.28Å; F1302-Q1305 PolarHBondContact O-N 3Å; Q1305-K1308 PolarHBondContact O-N 3.12Å |
| 1306 | L | 84 | Confident | 80.7 | Confident | 44 Ų | 44 | 71 Ų | 71 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.2 | -29.8 | 174.8 | -68.5 | 176.6 | 0 | 0 | 0 | 113.3 | V1270 A1272 A1286 F1302 L1303 D1304 K1308 F1316 | V1270-L1306 HydrophobicContact CB-CD1 3.94Å; V1270-L1306 HydrophobicContact CG1-CD1 3.75Å; A1272-L1306 HydrophobicContact CB-CB 4.29Å; A1286-L1306 HydrophobicContact CB-CD2 3.96Å; F1302-L1306 HydrophobicContact CD1-CD1 4.13Å; F1302-L1306 HydrophobicContact CE1-CD1 3.81Å; F1302-L1306 HydrophobicContact CE1-CG 4.34Å; F1302-L1306 PolarHBondContact O-N 2.81Å; L1303-L1306 WeakPolarHBondContact O-CB 3.47Å; L1303-L1306 PolarHBondContact O-N 3.27Å; D1304-L1306 VanDerWaalsContact C-N 3.31Å; D1304-L1306 PolarHBondContact O-N 3.11Å; L1306-K1308 VanDerWaalsContact C-N 3.27Å; L1306-K1308 PolarHBondContact O-N 3.27Å; L1306-F1316 HydrophobicContact CB-CE1 4.19Å |
| 1307 | C | 75.4 | Confident | 80.6 | Confident | 10 Ų | 10 | 70.8 Ų | 70.8 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -19.1 | 176.2 | -76.9 | 0 | 0 | 0 | 0 | 114.4 | L1303 D1304 G1309 R1310 F1316 | L1303-C1307 PolarHBondContact O-N 3.06Å; L1303-C1307 PolarHBondContact O-SG 2.67Å; D1304-C1307 WeakPolarHBondContact O-CB 3.4Å; D1304-C1307 PolarHBondContact O-N 3Å; C1307-G1309 PolarHBondContact O-N 3.37Å; C1307-R1310 WeakPolarHBondContact CB-O 3.35Å; C1307-R1310 WeakPolarHBondContact O-CB 3.17Å; C1307-R1310 PolarHBondContact O-N 3.31Å; C1307-R1310 VanDerWaalsContact O-N 3.08Å; C1307-F1316 VanDerWaalsContact SG-CZ 3.5Å |
| 1308 | K | 68.8 | Low | 80.6 | Confident | 190 Ų | 190 | 67.5 Ų | 67.5 | 83% | 0.826 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 48.2 | -171.4 | -62.9 | -166.9 | 174.8 | -166.8 | 0 | 112.6 | D1304 Q1305 L1306 | D1304-K1308 PolarHBondContact O-N 2.95Å; Q1305-K1308 PolarHBondContact O-N 3.12Å; L1306-K1308 VanDerWaalsContact C-N 3.27Å; L1306-K1308 PolarHBondContact O-N 3.27Å |
| 1309 | G | 62.8 | Low | 80.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 63% | 0.629 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -2.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | C1307 R1311 | C1307-G1309 PolarHBondContact O-N 3.37Å; G1309-R1311 PolarHBondContact O-N 2.7Å |
| 1310 | R | 58.4 | Low | 80.9 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | trans | -83.6 | 101.2 | 179.7 | -62.7 | -180 | -177.2 | 153.8 | 7.7 | 111.7 | N1274 C1307 T1314 | N1274-R1310 VanDerWaalsContact CG-NH1 3.28Å; N1274-R1310 WeakPolarHBondContact OD1-CD 3.28Å; N1274-R1310 PolarHBondContact OD1-NH1 2.74Å; C1307-R1310 WeakPolarHBondContact CB-O 3.35Å; C1307-R1310 WeakPolarHBondContact O-CB 3.17Å; C1307-R1310 PolarHBondContact O-N 3.31Å; C1307-R1310 VanDerWaalsContact O-N 3.08Å; R1310-T1314 PolarHBondContact O-OG1 3.38Å | ||
| 1311 | R | 57.5 | Low | 81.3 | Confident | 210 Ų | 210 | 67.9 Ų | 67.9 | 79% | 0.792 | 33% | 0.334 | S | S | * | . | trans | -82.9 | -19.6 | -166.5 | -66.2 | -175.7 | 178.3 | 179.8 | -0.6 | 116.8 | G1309 | G1309-R1311 PolarHBondContact O-N 2.7Š| ||
| 1312 | N | 60.2 | Low | 81.6 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 75% | 0.749 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -113.6 | 133.6 | -170.5 | -64.2 | 11 | 0 | 0 | 0 | 113.1 | T1314 | N1312-T1314 VanDerWaalsContact C-N 3.29Å; N1312-T1314 PolarHBondContact O-N 3.06Å |
| 1313 | S | 71.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 56.9 | 31.7 | 167 | -51.6 | 0 | 0 | 0 | 0 | 115.7 | R1315 R1338 | S1313-R1315 PolarHBondContact O-N 2.94Å; S1313-R1338 VanDerWaalsContact CA-O 3.31Å; S1313-R1338 WeakPolarHBondContact CA-O 3.43Å; S1313-R1338 PolarHBondContact N-O 2.71Å |
| 1314 | T | 78.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -77 | 122.1 | 179.5 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | A1272 R1310 N1312 F1316 R1338 | A1272-T1314 HydrophobicContact CB-CG2 3.86Å; R1310-T1314 PolarHBondContact O-OG1 3.38Å; N1312-T1314 VanDerWaalsContact C-N 3.29Å; N1312-T1314 PolarHBondContact O-N 3.06Å; T1314-F1316 HydrophobicContact CG2-CD2 4.45Å; T1314-F1316 HydrophobicContact CG2-CE1 4.44Å; T1314-F1316 HydrophobicContact CG2-CE2 4.02Å; T1314-F1316 HydrophobicContact CG2-CZ 4.03Å; T1314-F1316 WeakPolarHBondContact O-CD2 3.2Å; T1314-R1338 PolarHBondContact O-N 3.44Å |
| 1315 | R | 86.6 | Confident | 81.4 | Confident | 101 Ų | 101 | 71 Ų | 71 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.4 | 176.7 | -170.8 | -179.8 | -61 | -169.3 | 4.1 | 110.8 | R1273 S1313 Q1335 T1337 | R1273-R1315 PolarHBondContact N-O 3.24Å; S1313-R1315 PolarHBondContact O-N 2.94Å; R1315-Q1335 VanDerWaalsContact CD-OE1 3.28Å; R1315-T1337 HydrophobicContact CB-CG2 4.44Å |
| 1316 | F | 89.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.8 | 172.5 | -62.2 | -90 | 0 | 0 | 0 | 110.9 | V1270 A1271 A1272 L1303 L1306 C1307 T1314 F1318 Q1335 W1336 R1338 | V1270-F1316 HydrophobicContact CG1-CB 4.32Å; V1270-F1316 HydrophobicContact CG1-CD1 3.97Å; A1271-F1316 WeakPolarHBondContact O-CA 3.39Å; A1272-F1316 HydrophobicContact CB-CD1 4.2Å; A1272-F1316 HydrophobicContact CB-CE1 4.1Å; L1303-F1316 HydrophobicContact CB-CE1 3.98Å; L1303-F1316 HydrophobicContact CB-CE2 4.48Å; L1303-F1316 HydrophobicContact CB-CZ 3.76Å; L1303-F1316 HydrophobicContact CD2-CD1 3.67Å; L1303-F1316 HydrophobicContact CD2-CD2 4.45Å; L1303-F1316 HydrophobicContact CD2-CE1 3.62Å; L1303-F1316 HydrophobicContact CD2-CE2 4.41Å; L1303-F1316 HydrophobicContact CD2-CG 4.09Å; L1303-F1316 HydrophobicContact CD2-CZ 3.99Å; L1303-F1316 HydrophobicContact CG-CE1 4.4Å; L1303-F1316 HydrophobicContact CG-CZ 4.41Å; L1306-F1316 HydrophobicContact CB-CE1 4.19Å; C1307-F1316 VanDerWaalsContact SG-CZ 3.5Å; T1314-F1316 HydrophobicContact CG2-CD2 4.45Å; T1314-F1316 HydrophobicContact CG2-CE1 4.44Å; T1314-F1316 HydrophobicContact CG2-CE2 4.02Å; T1314-F1316 HydrophobicContact CG2-CZ 4.03Å; T1314-F1316 WeakPolarHBondContact O-CD2 3.2Å; F1316-F1318 HydrophobicContact CB-CD2 4.21Å; F1316-F1318 HydrophobicContact CB-CE2 3.41Å; F1316-F1318 VanDerWaalsContact CB-CE2 3.41Å; F1316-F1318 HydrophobicContact CB-CZ 3.74Å; F1316-F1318 HydrophobicContact CG-CE2 4.46Å; F1316-F1318 HydrophobicContact CG-CZ 4.4Å; F1316-Q1335 WeakPolarHBondContact O-CA 3.39Å; F1316-W1336 HydrophobicContact CB-CE3 4.26Å; F1316-W1336 AromaticContact CD2-CE3 3.78Å; F1316-W1336 HydrophobicContact CD2-CE3 3.78Å; F1316-W1336 AromaticContact CD2-CZ3 3.61Å; F1316-W1336 HydrophobicContact CD2-CZ3 3.61Å; F1316-W1336 HydrophobicContact CE2-CZ3 4Å; F1316-W1336 HydrophobicContact CG-CE3 4.36Å; F1316-W1336 HydrophobicContact CG-CZ3 4.4Å; F1316-W1336 PolarHBondContact N-O 2.73Å; F1316-W1336 PolarHBondContact O-N 2.81Å; F1316-W1336 VanDerWaalsContact O-O 3.07Å; F1316-R1338 HydrophobicContact CD2-CB 4.48Å; F1316-R1338 HydrophobicContact CE2-CB 3.96Å |
| 1317 | I | 91.7 | Very high | 81.2 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.2 | 175.9 | -54 | 178.8 | 0 | 0 | 0 | 107.1 | V1270 A1271 R1273 L1283 F1285 Q1333 Q1335 | V1270-I1317 WeakPolarHBondContact CA-O 3.31Å; A1271-I1317 PolarHBondContact N-O 3.27Å; A1271-I1317 PolarHBondContact O-N 3.23Å; R1273-I1317 HydrophobicContact CB-CD1 4.15Å; L1283-I1317 HydrophobicContact CD1-CD1 3.86Å; F1285-I1317 HydrophobicContact CE1-CB 4.27Å; F1285-I1317 HydrophobicContact CE1-CG2 4.07Å; F1285-I1317 WeakPolarHBondContact CE1-O 3.42Å; F1285-I1317 HydrophobicContact CZ-CB 4.34Å; F1285-I1317 HydrophobicContact CZ-CG2 3.99Å; I1317-Q1333 HydrophobicContact CG2-CG 3.62Å; I1317-Q1335 HydrophobicContact CG1-CG 4.2Å; I1317-Q1335 HydrophobicContact CG2-CG 4.47Å |
| 1318 | F | 94.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136 | -179.6 | -59.3 | -96.3 | 0 | 0 | 0 | 109.5 | V1242 A1249 I1251 F1269 V1270 I1298 L1303 F1316 Q1333 V1334 W1336 | V1242-F1318 HydrophobicContact CG2-CD2 3.98Å; V1242-F1318 HydrophobicContact CG2-CE2 4.36Å; V1242-F1318 HydrophobicContact CG2-CG 4.36Å; A1249-F1318 HydrophobicContact CB-CE1 4.27Å; A1249-F1318 HydrophobicContact CB-CZ 3.83Å; I1251-F1318 HydrophobicContact CD1-CB 4.41Å; I1251-F1318 HydrophobicContact CD1-CD1 3.22Å; I1251-F1318 HydrophobicContact CD1-CE1 3.63Å; I1251-F1318 HydrophobicContact CD1-CG 4.01Å; I1251-F1318 HydrophobicContact CG1-CD1 4.21Å; I1251-F1318 HydrophobicContact CG1-CE1 4.42Å; F1269-F1318 CarbonylContact O-C 3.6Å; F1269-F1318 WeakPolarHBondContact O-CA 3.4Å; V1270-F1318 HydrophobicContact CB-CD1 4.27Å; V1270-F1318 HydrophobicContact CB-CE1 4.33Å; V1270-F1318 HydrophobicContact CG1-CD1 3.95Å; V1270-F1318 HydrophobicContact CG1-CE1 3.68Å; V1270-F1318 HydrophobicContact CG1-CZ 4.11Å; V1270-F1318 HydrophobicContact CG2-CD1 3.43Å; V1270-F1318 VanDerWaalsContact CG2-CD1 3.43Å; V1270-F1318 HydrophobicContact CG2-CE1 3.63Å; V1270-F1318 HydrophobicContact CG2-CG 4.44Å; I1298-F1318 HydrophobicContact CG1-CE1 4.28Å; L1303-F1318 HydrophobicContact CD2-CE1 4.38Å; L1303-F1318 HydrophobicContact CD2-CZ 4.12Å; F1316-F1318 HydrophobicContact CB-CD2 4.21Å; F1316-F1318 HydrophobicContact CB-CE2 3.41Å; F1316-F1318 VanDerWaalsContact CB-CE2 3.41Å; F1316-F1318 HydrophobicContact CB-CZ 3.74Å; F1316-F1318 HydrophobicContact CG-CE2 4.46Å; F1316-F1318 HydrophobicContact CG-CZ 4.4Å; F1318-Q1333 VanDerWaalsContact O-CA 3.31Å; F1318-Q1333 WeakPolarHBondContact O-CA 3.41Å; F1318-Q1333 WeakPolarHBondContact O-CG 3.09Å; F1318-V1334 HydrophobicContact CB-CG1 3.82Å; F1318-V1334 PolarHBondContact N-O 3.05Å; F1318-V1334 PolarHBondContact O-N 3.28Å; F1318-W1336 HydrophobicContact CD2-CB 4.44Å; F1318-W1336 HydrophobicContact CE2-CB 3.97Å; F1318-W1336 HydrophobicContact CE2-CD2 4.47Å; F1318-W1336 AromaticContact CE2-CE3 3.94Å; F1318-W1336 HydrophobicContact CE2-CE3 3.94Å; F1318-W1336 HydrophobicContact CZ-CE3 4.08Å |
| 1319 | R | 95.8 | Very high | 82.7 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.1 | 177.2 | -76.9 | -177.7 | 176.2 | -172.9 | -2.2 | 110 | V1268 F1269 F1285 A1332 Q1333 | V1268-R1319 CarbonylContact C-O 3.59Å; V1268-R1319 WeakPolarHBondContact CA-O 3.23Å; F1269-R1319 HydrophobicContact CB-CB 4.34Å; F1269-R1319 PolarHBondContact N-O 3.16Å; F1269-R1319 PolarHBondContact O-N 3.22Å; F1285-R1319 HydrophobicContact CE1-CB 4.45Å; F1285-R1319 HydrophobicContact CE1-CG 3.85Å; F1285-R1319 HydrophobicContact CZ-CG 4.27Å; R1319-A1332 CarbonylContact C-O 3.58Å; R1319-A1332 WeakPolarHBondContact CA-O 3.05Å; R1319-Q1333 HydrophobicContact CG-CB 4.09Å; R1319-Q1333 HydrophobicContact CG-CG 3.83Å |
| 1320 | V | 96.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.5 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | P1237 V1240 I1251 W1253 Y1266 V1268 S1331 A1332 | P1237-V1320 HydrophobicContact CB-CG1 4.25Å; P1237-V1320 WeakPolarHBondContact CD-O 3.28Å; P1237-V1320 HydrophobicContact CG-CB 4.25Å; P1237-V1320 HydrophobicContact CG-CG1 3.9Å; V1240-V1320 HydrophobicContact CG1-CG2 3.66Å; V1240-V1320 HydrophobicContact CG2-CG2 4.41Å; I1251-V1320 HydrophobicContact CG2-CG2 4.41Å; W1253-V1320 HydrophobicContact CD2-CG1 3.63Å; W1253-V1320 HydrophobicContact CD2-CG2 4.29Å; W1253-V1320 HydrophobicContact CE3-CG1 4.08Å; W1253-V1320 HydrophobicContact CE3-CG2 4Å; W1253-V1320 HydrophobicContact CG-CG1 3.92Å; W1253-V1320 HydrophobicContact CZ2-CG1 4.1Å; W1253-V1320 HydrophobicContact CZ3-CG2 4.44Å; Y1266-V1320 HydrophobicContact CD1-CG1 4.38Å; V1268-V1320 HydrophobicContact CG1-CG2 4.42Å; V1268-V1320 HydrophobicContact CG2-CG1 4.23Å; V1268-V1320 HydrophobicContact CG2-CG2 4.12Å; V1320-S1331 CarbonylContact O-C 3.57Å; V1320-S1331 WeakPolarHBondContact O-CA 3.47Å; V1320-S1331 WeakPolarHBondContact O-CB 3.21Å; V1320-A1332 PolarHBondContact N-O 3.08Å; V1320-A1332 PolarHBondContact O-N 3.2Å |
| 1321 | A | 95.4 | Very high | 85.5 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1266 S1267 Y1328 | Y1266-A1321 WeakPolarHBondContact CA-O 3.33Å; S1267-A1321 PolarHBondContact N-O 2.94Å; S1267-A1321 PolarHBondContact O-N 3.48Å; A1321-Y1328 HydrophobicContact CB-CD1 4.09Å |
| 1322 | A | 94.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1234 P1237 P1256 I1263 Y1266 Y1328 G1329 | P1234-A1322 HydrophobicContact CB-CB 4.13Å; P1234-A1322 HydrophobicContact CG-CB 4.44Å; P1237-A1322 HydrophobicContact CG-CB 4.18Å; P1256-A1322 HydrophobicContact CG-CB 3.45Å; P1256-A1322 VanDerWaalsContact CG-CB 3.45Å; I1263-A1322 HydrophobicContact CD1-CB 4.06Å; I1263-A1322 HydrophobicContact CG2-CB 3.98Å; Y1266-A1322 HydrophobicContact CD1-CB 3.81Å; Y1266-A1322 HydrophobicContact CE1-CB 3.68Å; A1322-Y1328 WeakPolarHBondContact O-CA 3.23Å; A1322-G1329 PolarHBondContact O-N 3.06Å |
| 1323 | R | 92.7 | Very high | 88.8 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.7 | 178 | 176.1 | 175.5 | 177.7 | -160.2 | 1.1 | 111.1 | I1263 N1264 E1265 G1327 Y1328 | I1263-R1323 CarbonylContact C-O 3.47Å; I1263-R1323 WeakPolarHBondContact CA-O 3.38Å; N1264-R1323 PolarHBondContact N-O 2.93Å; E1265-R1323 HydrophobicContact CB-CB 4.23Å; E1265-R1323 PolarHBondContact O-N 3.38Å; E1265-R1323 IonicContact OE2-NH1 3.92Å; E1265-R1323 PolarHBondContact OE2-NH1 2.73Å; R1323-G1327 WeakPolarHBondContact CA-O 3.14Å; R1323-Y1328 HydrophobicContact CB-CD1 3.66Å; R1323-Y1328 HydrophobicContact CB-CE1 3.72Å; R1323-Y1328 HydrophobicContact CB-CG 4.18Å; R1323-Y1328 HydrophobicContact CG-CD1 4.44Å; R1323-Y1328 HydrophobicContact CG-CE1 4.41Å |
| 1324 | N | 86.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -171.4 | 163 | 70.6 | 15.2 | 0 | 0 | 0 | 110.7 | G1232 P1234 S1259 Y1260 V1262 I1263 R1326 G1327 | G1232-N1324 PolarHBondContact O-ND2 2.83Å; P1234-N1324 WeakPolarHBondContact CD-ND2 3.25Å; P1234-N1324 HydrophobicContact CG-CB 3.91Å; S1259-N1324 PolarHBondContact O-ND2 3.45Å; Y1260-N1324 PolarHBondContact O-ND2 2.9Å; V1262-N1324 WeakPolarHBondContact O-CA 3.36Å; V1262-N1324 WeakPolarHBondContact O-CB 3.43Å; I1263-N1324 HydrophobicContact CD1-CB 4.34Å; N1324-R1326 PolarHBondContact O-N 3Å; N1324-R1326 WeakPolarHBondContact OD1-CA 3.43Å; N1324-R1326 WeakPolarHBondContact OD1-CB 3.42Å; N1324-R1326 PolarHBondContact OD1-N 3.39Å; N1324-G1327 PolarHBondContact N-O 2.8Å; N1324-G1327 PolarHBondContact O-N 3.06Å; N1324-G1327 PolarHBondContact OD1-N 2.9Å; N1324-G1327 PolarHBondContact OD1-O 2.77Å |
| 1325 | E | 84 | Confident | 90.3 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 66% | 0.659 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.3 | 176.8 | 67.5 | -155.6 | 140.4 | 0 | 0 | 114.7 | ||
| 1326 | R | 78.3 | Confident | 90.4 | Very high | 136 Ų | 136 | 45.5 Ų | 45.5 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -23.1 | 176.8 | -65.4 | -173.1 | 170.9 | -125.3 | -10.6 | 113.6 | A1231 Y1233 N1324 | A1231-R1326 VanDerWaalsContact O-CD 3.29Å; A1231-R1326 WeakPolarHBondContact O-CD 3.22Å; A1231-R1326 PolarHBondContact O-NE 2.89Å; A1231-R1326 VanDerWaalsContact O-NE 3.13Å; A1231-R1326 PolarHBondContact O-NH1 3.47Å; Y1233-R1326 HydrophobicContact CD1-CB 4.47Å; Y1233-R1326 HydrophobicContact CE1-CB 4.46Å; Y1233-R1326 WeakPolarHBondContact CE1-O 3.19Å; N1324-R1326 PolarHBondContact O-N 3Å; N1324-R1326 WeakPolarHBondContact OD1-CA 3.43Å; N1324-R1326 WeakPolarHBondContact OD1-CB 3.42Å; N1324-R1326 PolarHBondContact OD1-N 3.39Å |
| 1327 | G | 85.5 | Confident | 90.1 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.3 | -165.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1234 R1323 N1324 | P1234-G1327 WeakPolarHBondContact CD-O 3.46Å; R1323-G1327 WeakPolarHBondContact CA-O 3.14Å; N1324-G1327 PolarHBondContact N-O 2.8Å; N1324-G1327 PolarHBondContact O-N 3.06Å; N1324-G1327 PolarHBondContact OD1-N 2.9Å; N1324-G1327 PolarHBondContact OD1-O 2.77Å |
| 1328 | Y | 89.4 | Confident | 89.3 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.1 | 178.8 | -66.2 | -84 | 0 | 0 | 0 | 112.2 | Y1233 E1265 S1267 A1321 A1322 R1323 | Y1233-Y1328 WeakPolarHBondContact CD1-O 3.42Å; E1265-Y1328 VanDerWaalsContact CD-OH 3.27Å; E1265-Y1328 VanDerWaalsContact OE1-CE1 3.29Å; E1265-Y1328 WeakPolarHBondContact OE1-CE1 3.35Å; E1265-Y1328 PolarHBondContact OE1-OH 2.87Å; E1265-Y1328 PolarHBondContact OE2-OH 2.87Å; S1267-Y1328 PolarHBondContact OG-OH 3.11Å; A1321-Y1328 HydrophobicContact CB-CD1 4.09Å; A1322-Y1328 WeakPolarHBondContact O-CA 3.23Å; R1323-Y1328 HydrophobicContact CB-CD1 3.66Å; R1323-Y1328 HydrophobicContact CB-CE1 3.72Å; R1323-Y1328 HydrophobicContact CB-CG 4.18Å; R1323-Y1328 HydrophobicContact CG-CD1 4.44Å; R1323-Y1328 HydrophobicContact CG-CE1 4.41Å |
| 1329 | G | 85.8 | Confident | 89 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 166.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1234 A1322 S1331 | P1234-G1329 WeakPolarHBondContact O-CA 3.32Å; A1322-G1329 PolarHBondContact O-N 3.06Å; G1329-S1331 PolarHBondContact O-N 3.14Å |
| 1330 | P | 88.7 | Confident | 88.6 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 133.7 | 167.1 | 22 | -34.6 | 0 | 0 | 0 | 111.7 | P1234 P1236 | P1234-P1330 WeakPolarHBondContact O-CD 3.32Å; P1236-P1330 VanDerWaalsContact CA-O 3.25Å; P1236-P1330 WeakPolarHBondContact CA-O 3.35Å; P1236-P1330 WeakPolarHBondContact CB-O 3.47Å; P1236-P1330 HydrophobicContact CG-CB 4.31Å; P1236-P1330 HydrophobicContact CG-CG 4Å |
| 1331 | S | 92.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 136.5 | -176.6 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | V1320 G1329 | V1320-S1331 CarbonylContact O-C 3.57Å; V1320-S1331 WeakPolarHBondContact O-CA 3.47Å; V1320-S1331 WeakPolarHBondContact O-CB 3.21Å; G1329-S1331 PolarHBondContact O-N 3.14Å |
| 1332 | A | 93.5 | Very high | 87.8 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 142.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1236 P1237 V1240 R1319 V1320 | P1236-A1332 HydrophobicContact CB-CB 3.93Å; P1237-A1332 WeakPolarHBondContact O-CB 3.32Å; V1240-A1332 HydrophobicContact CG2-CB 3.57Å; R1319-A1332 CarbonylContact C-O 3.58Å; R1319-A1332 WeakPolarHBondContact CA-O 3.05Å; V1320-A1332 PolarHBondContact N-O 3.08Å; V1320-A1332 PolarHBondContact O-N 3.2Å |
| 1333 | Q | 93.1 | Very high | 87.4 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.7 | -171.9 | -170.9 | -173.5 | -93.3 | 0 | 0 | 112 | I1317 F1318 R1319 | I1317-Q1333 HydrophobicContact CG2-CG 3.62Å; F1318-Q1333 VanDerWaalsContact O-CA 3.31Å; F1318-Q1333 WeakPolarHBondContact O-CA 3.41Å; F1318-Q1333 WeakPolarHBondContact O-CG 3.09Å; R1319-Q1333 HydrophobicContact CG-CB 4.09Å; R1319-Q1333 HydrophobicContact CG-CG 3.83Å |
| 1334 | V | 92.6 | Very high | 87 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 109.9 | V1240 V1242 F1318 | V1240-V1334 HydrophobicContact CG1-CB 4.28Å; V1240-V1334 HydrophobicContact CG1-CG1 3.75Å; V1242-V1334 HydrophobicContact CG2-CB 4.5Å; V1242-V1334 HydrophobicContact CG2-CG1 3.52Å; V1242-V1334 HydrophobicContact CG2-CG2 4.15Å; F1318-V1334 HydrophobicContact CB-CG1 3.82Å; F1318-V1334 PolarHBondContact N-O 3.05Å; F1318-V1334 PolarHBondContact O-N 3.28Å |
| 1335 | Q | 89.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.9 | 175.7 | -61.8 | -169.5 | -6.6 | 0 | 0 | 109.7 | R1315 F1316 I1317 | R1315-Q1335 VanDerWaalsContact CD-OE1 3.28Å; F1316-Q1335 WeakPolarHBondContact O-CA 3.39Å; I1317-Q1335 HydrophobicContact CG1-CG 4.2Å; I1317-Q1335 HydrophobicContact CG2-CG 4.47Å |
| 1336 | W | 88.9 | Confident | 87.3 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.8 | 176.2 | 167.5 | 95.1 | 0 | 0 | 0 | 108.1 | V1242 S1244 A1249 L1303 F1316 F1318 R1338 | V1242-W1336 HydrophobicContact CB-CB 3.97Å; V1242-W1336 HydrophobicContact CB-CG 4.15Å; V1242-W1336 HydrophobicContact CG1-CB 3.96Å; V1242-W1336 HydrophobicContact CG1-CD2 4.14Å; V1242-W1336 HydrophobicContact CG1-CG 3.71Å; V1242-W1336 HydrophobicContact CG2-CB 4.19Å; S1244-W1336 PolarHBondContact OG-NE1 2.79Å; A1249-W1336 HydrophobicContact CB-CD2 4.42Å; A1249-W1336 HydrophobicContact CB-CE3 4.21Å; A1249-W1336 HydrophobicContact CB-CH2 4.05Å; A1249-W1336 HydrophobicContact CB-CZ2 4.28Å; A1249-W1336 HydrophobicContact CB-CZ3 4.02Å; L1303-W1336 HydrophobicContact CD1-CH2 4.14Å; L1303-W1336 HydrophobicContact CD1-CZ3 4Å; F1316-W1336 HydrophobicContact CB-CE3 4.26Å; F1316-W1336 AromaticContact CD2-CE3 3.78Å; F1316-W1336 HydrophobicContact CD2-CE3 3.78Å; F1316-W1336 AromaticContact CD2-CZ3 3.61Å; F1316-W1336 HydrophobicContact CD2-CZ3 3.61Å; F1316-W1336 HydrophobicContact CE2-CZ3 4Å; F1316-W1336 HydrophobicContact CG-CE3 4.36Å; F1316-W1336 HydrophobicContact CG-CZ3 4.4Å; F1316-W1336 PolarHBondContact N-O 2.73Å; F1316-W1336 PolarHBondContact O-N 2.81Å; F1316-W1336 VanDerWaalsContact O-O 3.07Å; F1318-W1336 HydrophobicContact CD2-CB 4.44Å; F1318-W1336 HydrophobicContact CE2-CB 3.97Å; F1318-W1336 HydrophobicContact CE2-CD2 4.47Å; F1318-W1336 AromaticContact CE2-CE3 3.94Å; F1318-W1336 HydrophobicContact CE2-CE3 3.94Å; F1318-W1336 HydrophobicContact CZ-CE3 4.08Å; W1336-R1338 HydrophobicContact CH2-CB 3.74Å; W1336-R1338 HydrophobicContact CH2-CG 4.09Å; W1336-R1338 HydrophobicContact CZ2-CB 4.48Å; W1336-R1338 HydrophobicContact CZ3-CB 3.84Å |
| 1337 | T | 83.2 | Confident | 88 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.7 | -178.9 | -47.5 | 0 | 0 | 0 | 0 | 107.3 | R1315 | R1315-T1337 HydrophobicContact CB-CG2 4.44Å |
| 1338 | R | 73.9 | Confident | 88.3 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 48% | 0.475 | 30% | 0.303 | S | S | . | . | trans | -90.2 | 0 | 171.3 | -173.6 | 178.1 | 176.3 | -165.5 | -1 | 110.1 | D1304 S1313 T1314 F1316 W1336 | D1304-R1338 IonicContact OD1-CZ 3.53Å; D1304-R1338 IonicContact OD1-NH1 2.77Å; D1304-R1338 PolarHBondContact OD1-NH1 3.16Å; D1304-R1338 IonicContact OD2-CZ 2.74Å; D1304-R1338 IonicContact OD2-NH1 3.34Å; D1304-R1338 PolarHBondContact OD2-NH1 3.33Å; D1304-R1338 IonicContact OD2-NH2 3.33Å; D1304-R1338 PolarHBondContact OD2-NH2 2.87Å; S1313-R1338 VanDerWaalsContact CA-O 3.31Å; S1313-R1338 WeakPolarHBondContact CA-O 3.43Å; S1313-R1338 PolarHBondContact N-O 2.71Å; T1314-R1338 PolarHBondContact O-N 3.44Å; F1316-R1338 HydrophobicContact CD2-CB 4.48Å; F1316-R1338 HydrophobicContact CE2-CB 3.96Å; W1336-R1338 HydrophobicContact CH2-CB 3.74Å; W1336-R1338 HydrophobicContact CH2-CG 4.09Å; W1336-R1338 HydrophobicContact CZ2-CB 4.48Å; W1336-R1338 HydrophobicContact CZ3-CB 3.84Å |
Retrieved 1,338 of 1,338 residues in 1455.4 ms
(Link to these results)