| 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 | 42.4 | Very low | 35 | Very low | 214 Ų | 214 | 126.6 Ų | 126.6 | 100% | 1.054 | 64% | 0.644 | S | S | * | * | 0 | -33.3 | 0 | -89.9 | -175.1 | -93.3 | 0 | 0 | 114 | |||||
| 2 | I | 36.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 122 Ų | 122 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.7 | -28.8 | -179.6 | -61.5 | 165.8 | 0 | 0 | 0 | 113 | S4 I6 | I2-S4 PolarHBondContact O-N 2.78Å; I2-I6 HydrophobicContact CG2-CD1 4.23Å; I2-I6 PolarHBondContact O-N 2.76Å |
| 3 | S | 33.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.3 | -22 | 179 | -167.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 4 | S | 33.2 | Very low | 33.2 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 54% | 0.538 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -85.3 | -27.5 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 112 | I2 I8 | I2-S4 PolarHBondContact O-N 2.78Å; S4-I8 WeakPolarHBondContact O-CG1 3.24Å; S4-I8 PolarHBondContact O-N 3.48Å |
| 5 | F | 32.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.7 | -38 | 177.1 | -116.9 | -93.3 | 0 | 0 | 0 | 112.2 | F7 I8 I9 | F5-F7 VanDerWaalsContact C-N 3.31Å; F5-F7 PolarHBondContact O-N 2.72Å; F5-I8 PolarHBondContact O-N 2.95Å; F5-I9 HydrophobicContact CD1-CD1 4.32Å; F5-I9 VanDerWaalsContact O-CG1 3.29Å; F5-I9 WeakPolarHBondContact O-CG1 3.44Å; F5-I9 PolarHBondContact O-N 2.93Å |
| 6 | I | 39.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 54% | 0.544 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.7 | -32.7 | 175.9 | -64.1 | 170.4 | 0 | 0 | 0 | 111.1 | I2 M10 | I2-I6 HydrophobicContact CG2-CD1 4.23Å; I2-I6 PolarHBondContact O-N 2.76Å; I6-M10 WeakPolarHBondContact O-CB 3.46Å; I6-M10 VanDerWaalsContact O-CG 3.31Å; I6-M10 WeakPolarHBondContact O-CG 3.18Å; I6-M10 PolarHBondContact O-N 2.86Å |
| 7 | F | 34.1 | Very low | 32.3 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.5 | -35.7 | 176.4 | -139.7 | -93.3 | 0 | 0 | 0 | 112.2 | F5 F11 | F5-F7 VanDerWaalsContact C-N 3.31Å; F5-F7 PolarHBondContact O-N 2.72Å; F7-F11 HydrophobicContact CD1-CD2 4.38Å; F7-F11 HydrophobicContact CE1-CD2 4.28Å; F7-F11 HydrophobicContact CE1-CE2 4.3Å; F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 2.89Å |
| 8 | I | 37.2 | Very low | 32.2 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 57% | 0.569 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.9 | -37.8 | 175.3 | -68.2 | 167.8 | 0 | 0 | 0 | 111.2 | S4 F5 F11 S12 | S4-I8 WeakPolarHBondContact O-CG1 3.24Å; S4-I8 PolarHBondContact O-N 3.48Å; F5-I8 PolarHBondContact O-N 2.95Å; I8-F11 PolarHBondContact O-N 3.49Å; I8-S12 WeakPolarHBondContact O-CB 3.36Å; I8-S12 PolarHBondContact O-N 3.07Å; I8-S12 PolarHBondContact O-OG 3.49Å |
| 9 | I | 35.8 | Very low | 32.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 51% | 0.508 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.6 | -41 | 176.3 | -66.9 | 167.5 | 0 | 0 | 0 | 110.7 | F5 S12 A13 | F5-I9 HydrophobicContact CD1-CD1 4.32Å; F5-I9 VanDerWaalsContact O-CG1 3.29Å; F5-I9 WeakPolarHBondContact O-CG1 3.44Å; F5-I9 PolarHBondContact O-N 2.93Å; I9-S12 WeakPolarHBondContact CA-OG 3.46Å; I9-S12 PolarHBondContact O-N 2.8Å; I9-S12 PolarHBondContact O-OG 2.95Å; I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 2.77Å |
| 10 | M | 31.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 58% | 0.576 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.7 | -31.9 | 174.2 | -74.3 | -76.9 | -73.5 | 0 | 0 | 113.2 | I6 | I6-M10 WeakPolarHBondContact O-CB 3.46Å; I6-M10 VanDerWaalsContact O-CG 3.31Å; I6-M10 WeakPolarHBondContact O-CG 3.18Å; I6-M10 PolarHBondContact O-N 2.86Å |
| 11 | F | 28.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.5 | -33.2 | 173.1 | -117.9 | -97.8 | 0 | 0 | 0 | 112.8 | F7 I8 F14 | F7-F11 HydrophobicContact CD1-CD2 4.38Å; F7-F11 HydrophobicContact CE1-CD2 4.28Å; F7-F11 HydrophobicContact CE1-CE2 4.3Å; F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 2.89Å; I8-F11 PolarHBondContact O-N 3.49Å; F11-F14 PolarHBondContact O-N 2.95Å |
| 12 | S | 27.7 | Very low | 34.2 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.6 | -31.6 | 175.7 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | I8 I9 F14 Y15 | I8-S12 WeakPolarHBondContact O-CB 3.36Å; I8-S12 PolarHBondContact O-N 3.07Å; I8-S12 PolarHBondContact O-OG 3.49Å; I9-S12 WeakPolarHBondContact CA-OG 3.46Å; I9-S12 PolarHBondContact O-N 2.8Å; I9-S12 PolarHBondContact O-OG 2.95Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.98Å; S12-Y15 PolarHBondContact O-N 3.07Å |
| 13 | A | 25.2 | Very low | 35.9 | Very low | 67 Ų | 67 | 116 Ų | 116 | 55% | 0.554 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I9 | I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 2.77Å |
| 14 | F | 27.2 | Very low | 38.2 | Very low | 170 Ų | 170 | 111.4 Ų | 111.4 | 75% | 0.746 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -1.3 | 176.7 | -104.7 | -87.5 | 0 | 0 | 0 | 114 | F11 S12 | F11-F14 PolarHBondContact O-N 2.95Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.98Å |
| 15 | Y | 28.7 | Very low | 40.6 | Very low | 194 Ų | 194 | 108 Ų | 108 | 76% | 0.761 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -114 | 11.2 | -176.5 | -115.1 | -83.7 | 0 | 0 | 0 | 116 | S12 | S12-Y15 PolarHBondContact O-N 3.07Š|
| 16 | T | 28.1 | Very low | 42.7 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -139.6 | 55.9 | 174.7 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 17 | T | 27.2 | Very low | 44.2 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 70% | 0.699 | 52% | 0.522 | S | S | * | . | trans | -146.1 | 73.3 | 147.4 | 43.9 | 0 | 0 | 0 | 0 | 107 | H19 | T17-H19 PolarHBondContact O-N 3.12Š| ||
| 18 | M | 31 | Very low | 46.5 | Very low | 164 Ų | 164 | 105.9 Ų | 105.9 | 81% | 0.808 | 53% | 0.528 | S | S | * | . | trans | -59.2 | 103.6 | 147 | -81.4 | -144.9 | 80 | 0 | 0 | 104.5 | I20 | M18-I20 HydrophobicContact CB-CG1 4.39Å; M18-I20 PolarHBondContact O-N 3.17Å | ||
| 19 | H | 31.7 | Very low | 48.9 | Very low | 169 Ų | 169 | 102.1 Ų | 102.1 | 78% | 0.782 | 51% | 0.511 | S | S | * | . | trans | -57.8 | 91.5 | 157 | -97.1 | -62.6 | 0 | 0 | 0 | 105.1 | T17 M21 | T17-H19 PolarHBondContact O-N 3.12Å; H19-M21 PolarHBondContact O-N 3.42Å | ||
| 20 | I | 40.5 | Very low | 51.6 | Low | 85 Ų | 85 | 98.4 Ų | 98.4 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | trans | -62.5 | 108.8 | 168.1 | -60.9 | -177.5 | 0 | 0 | 0 | 103.4 | M18 Q22 I427 | M18-I20 HydrophobicContact CB-CG1 4.39Å; M18-I20 PolarHBondContact O-N 3.17Å; I20-Q22 PolarHBondContact O-N 2.86Å; I20-I427 HydrophobicContact CD1-CD1 3.46Å; I20-I427 VanDerWaalsContact CD1-CD1 3.46Å; I20-I427 HydrophobicContact CD1-CG1 4.13Å; I20-I427 HydrophobicContact CG2-CB 4.49Å; I20-I427 HydrophobicContact CG2-CG1 4.18Å | ||
| 21 | M | 46.7 | Very low | 54.5 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | trans | -61.3 | 135.7 | -177.8 | -61.3 | -143.8 | 91.3 | 0 | 0 | 107.5 | H19 M23 | H19-M21 PolarHBondContact O-N 3.42Å; M21-M23 PolarHBondContact O-N 3.3Å | ||
| 22 | Q | 61.6 | Low | 57.6 | Low | 100 Ų | 100 | 90.8 Ų | 90.8 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | trans | -67.4 | 122.3 | 159.7 | -113 | 139.5 | 34.2 | 0 | 0 | 106.6 | I20 E27 | I20-Q22 PolarHBondContact O-N 2.86Å; Q22-E27 PolarHBondContact NE2-OE1 3.07Å | ||
| 23 | M | 71.2 | Confident | 60.8 | Low | 7 Ų | 7 | 90.4 Ų | 90.4 | 3% | 0.034 | 46% | 0.456 | C | S | . | . | trans | -76.1 | -97.8 | 171.9 | -162.2 | -153.9 | -158.5 | 0 | 0 | 107.9 | M21 D389 L414 Q426 L602 | M21-M23 PolarHBondContact O-N 3.3Å; M23-D389 HydrophobicContact CE-CB 3.2Å; M23-D389 VanDerWaalsContact CE-OD2 3.24Å; M23-D389 WeakPolarHBondContact CE-OD2 3.27Å; M23-D389 HydrophobicContact SD-CB 3.99Å; M23-L414 HydrophobicContact CE-CD1 3.18Å; M23-L414 HydrophobicContact CE-CD2 3.48Å; M23-L414 VanDerWaalsContact CE-CD2 3.48Å; M23-L414 HydrophobicContact CE-CG 3.92Å; M23-L414 HydrophobicContact SD-CD1 3.97Å; M23-L414 HydrophobicContact SD-CD2 3.47Å; M23-L414 WeakPolarHBondContact SD-CD2 3.47Å; M23-L414 HydrophobicContact SD-CG 4.26Å; M23-Q426 HydrophobicContact CB-CB 4.14Å; M23-L602 WeakPolarHBondContact O-CD2 3.14Å; M23-L602 WeakPolarHBondContact O-CG 3.34Å | ||
| 24 | N | 83.5 | Confident | 64 | Low | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.011 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -136.5 | -0.2 | -174.8 | 68.5 | -33.9 | 0 | 0 | 0 | 114.9 | L388 S472 Q473 V475 | N24-L388 PolarHBondContact ND2-O 3.24Å; N24-L388 WeakPolarHBondContact OD1-CD2 3.4Å; N24-L388 WeakPolarHBondContact OD1-CG 3.4Å; N24-S472 CarbonylContact O-C 3.54Å; N24-S472 WeakPolarHBondContact O-CA 3.25Å; N24-Q473 PolarHBondContact O-N 3.24Å; N24-V475 HydrophobicContact CB-CG2 3.63Å |
| 25 | L | 81.7 | Confident | 67.3 | Low | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 128.4 | 171.8 | -70.2 | 167.1 | 0 | 0 | 0 | 110.7 | L388 I412 Q426 I428 L457 | L25-L388 HydrophobicContact CD1-CD2 4.12Å; L25-L388 HydrophobicContact CD2-CD1 4.19Å; L25-L388 HydrophobicContact CG-CD1 4.39Å; L25-L388 HydrophobicContact CG-CD2 4.21Å; L25-I412 HydrophobicContact CD1-CD1 3.93Å; L25-I412 HydrophobicContact CD1-CG1 4.13Å; L25-Q426 PolarHBondContact O-NE2 3.4Å; L25-I428 HydrophobicContact CB-CD1 4.46Å; L25-I428 HydrophobicContact CD1-CD1 3.81Å; L25-L457 HydrophobicContact CD1-CB 4.26Å; L25-L457 HydrophobicContact CD1-CD2 3.84Å; L25-L457 HydrophobicContact CD2-CB 4.2Å |
| 26 | L | 77.8 | Confident | 70.4 | Confident | 40 Ų | 40 | 78.6 Ų | 78.6 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | trans | -61.6 | 134.9 | -179.7 | -74.4 | 176.4 | 0 | 0 | 0 | 112.5 | K28 Y470 R471 Q473 | L26-K28 PolarHBondContact O-N 3.41Å; L26-Y470 VanDerWaalsContact O-CD1 3.26Å; L26-Y470 WeakPolarHBondContact O-CD1 3.25Å; L26-R471 WeakPolarHBondContact CB-O 3.4Å; L26-R471 HydrophobicContact CD1-CB 4.07Å; L26-R471 WeakPolarHBondContact CG-O 3.41Å; L26-R471 PolarHBondContact N-O 2.81Å; L26-Q473 HydrophobicContact CD2-CG 3.51Å; L26-Q473 HydrophobicContact CG-CG 3.9Å | ||
| 27 | E | 70.3 | Confident | 73.6 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -62.9 | -26.5 | 174.9 | -74.2 | -170 | 147 | 0 | 0 | 114.6 | Q22 P29 | Q22-E27 PolarHBondContact NE2-OE1 3.07Å; E27-P29 WeakPolarHBondContact O-CD 3.44Å |
| 28 | K | 82 | Confident | 76.9 | Confident | 181 Ų | 181 | 70.1 Ų | 70.1 | 79% | 0.787 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -98.6 | 96.9 | -177.8 | -70.2 | -172.7 | -179.8 | -178.4 | 0 | 109.9 | L26 | L26-K28 PolarHBondContact O-N 3.41Š|
| 29 | P | 89.1 | Confident | 80.1 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 162.4 | 176.7 | 32.9 | -37.4 | 0 | 0 | 0 | 111.6 | E27 F468 L469 Y470 | E27-P29 WeakPolarHBondContact O-CD 3.44Å; P29-F468 HydrophobicContact CB-CB 4.02Å; P29-F468 HydrophobicContact CB-CD1 4.27Å; P29-F468 HydrophobicContact CG-CB 4.36Å; P29-F468 HydrophobicContact CG-CD1 3.81Å; P29-F468 HydrophobicContact CG-CG 4.49Å; P29-L469 CarbonylContact C-O 3.51Å; P29-L469 WeakPolarHBondContact CA-O 3.28Å; P29-L469 VanDerWaalsContact CB-O 3.31Å; P29-L469 WeakPolarHBondContact CB-O 3.44Å; P29-Y470 HydrophobicContact CB-CD1 4.14Å; P29-Y470 HydrophobicContact CB-CD2 4.22Å; P29-Y470 HydrophobicContact CB-CE1 3.93Å; P29-Y470 HydrophobicContact CB-CE2 4.03Å; P29-Y470 HydrophobicContact CB-CG 4.26Å; P29-Y470 HydrophobicContact CG-CE1 4.03Å; P29-Y470 HydrophobicContact CG-CE2 4.44Å |
| 30 | V | 91.2 | Very high | 83.3 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.5 | 158.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | F32 F468 L469 | V30-F32 HydrophobicContact CG1-CE1 4.24Å; V30-F32 HydrophobicContact CG1-CE2 4.37Å; V30-F32 HydrophobicContact CG1-CZ 3.93Å; V30-F468 WeakPolarHBondContact O-CA 3.31Å; V30-L469 HydrophobicContact CB-CB 4.25Å; V30-L469 PolarHBondContact N-O 2.82Å; V30-L469 PolarHBondContact O-N 2.86Å |
| 31 | M | 92.8 | Very high | 86 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.5 | -177.2 | -177.7 | 179.9 | 75.4 | 0 | 0 | 110.3 | F468 | M31-F468 HydrophobicContact CB-CD1 4.11Å; M31-F468 HydrophobicContact CB-CE1 4.01Å; M31-F468 HydrophobicContact CG-CD1 4.05Å; M31-F468 HydrophobicContact CG-CE1 3.54Å; M31-F468 HydrophobicContact CG-CZ 4.21Å; M31-F468 HydrophobicContact SD-CE1 3.86Å; M31-F468 HydrophobicContact SD-CZ 4.36Å |
| 32 | F | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.5 | 171.7 | -54.4 | -77.6 | 0 | 0 | 0 | 109 | V30 F40 V55 I57 C78 T79 G84 L458 Q466 A467 L469 | V30-F32 HydrophobicContact CG1-CE1 4.24Å; V30-F32 HydrophobicContact CG1-CE2 4.37Å; V30-F32 HydrophobicContact CG1-CZ 3.93Å; F32-F40 HydrophobicContact CB-CE1 3.92Å; F32-F40 HydrophobicContact CB-CZ 4.15Å; F32-V55 HydrophobicContact CE2-CB 4.44Å; F32-V55 HydrophobicContact CE2-CG1 4.31Å; F32-V55 HydrophobicContact CE2-CG2 4.19Å; F32-V55 HydrophobicContact CZ-CB 4.34Å; F32-V55 HydrophobicContact CZ-CG2 4.03Å; F32-I57 HydrophobicContact CB-CD1 3.75Å; F32-I57 HydrophobicContact CD2-CD1 4.14Å; F32-I57 HydrophobicContact CG-CD1 3.98Å; F32-C78 HydrophobicContact CD1-CB 3.67Å; F32-C78 HydrophobicContact CE1-CB 3.73Å; F32-C78 HydrophobicContact CG-CB 4.44Å; F32-T79 WeakPolarHBondContact CE1-O 3.13Å; F32-G84 WeakPolarHBondContact CD1-O 3.37Å; F32-L458 HydrophobicContact CE2-CD2 4.48Å; F32-Q466 WeakPolarHBondContact O-CA 3.45Å; F32-A467 HydrophobicContact CB-CB 4.48Å; F32-A467 PolarHBondContact N-O 3.33Å; F32-A467 PolarHBondContact O-N 2.76Å; F32-L469 HydrophobicContact CE2-CB 3.88Å |
| 33 | S | 93.8 | Very high | 90.2 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.1 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | Q466 | S33-Q466 PolarHBondContact OG-NE2 3.49Å |
| 34 | G | 94.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | -104.2 | -177 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F40 D465 | G34-F40 VanDerWaalsContact CA-CG 3.49Å; G34-D465 PolarHBondContact N-O 3.34Å | ||
| 35 | P | 95.5 | Very high | 92.1 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | trans | -61.6 | 143.4 | 171.6 | -19.6 | 32.3 | 0 | 0 | 0 | 111.7 | G37 S38 F76 | P35-G37 PolarHBondContact O-N 3.38Å; P35-S38 VanDerWaalsContact O-CB 3.23Å; P35-S38 WeakPolarHBondContact O-CB 3.18Å; P35-S38 PolarHBondContact O-N 3.4Å; P35-S38 PolarHBondContact O-OG 2.98Å; P35-F76 HydrophobicContact CG-CZ 4.06Å | ||
| 36 | A | 94.4 | Very high | 92.7 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 81% | 0.81 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 135 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S38 D465 | A36-S38 PolarHBondContact O-N 2.93Å; A36-D465 WeakPolarHBondContact CA-OD2 3.18Å |
| 37 | G | 94.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 6.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P35 L39 K61 D465 | P35-G37 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-K61 WeakPolarHBondContact O-CB 3.48Å; G37-D465 PolarHBondContact N-OD1 2.77Å; G37-D465 PolarHBondContact N-OD2 2.77Å |
| 38 | S | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -81 | -10.3 | -179 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | P35 A36 F40 A59 K61 D465 | P35-S38 VanDerWaalsContact O-CB 3.23Å; P35-S38 WeakPolarHBondContact O-CB 3.18Å; P35-S38 PolarHBondContact O-N 3.4Å; P35-S38 PolarHBondContact O-OG 2.98Å; A36-S38 PolarHBondContact O-N 2.93Å; S38-F40 VanDerWaalsContact C-N 3.26Å; S38-F40 WeakPolarHBondContact OG-CB 3.25Å; S38-F40 PolarHBondContact OG-N 3.25Å; S38-A59 CarbonylContact O-C 3.59Å; S38-A59 WeakPolarHBondContact O-CA 3.45Å; S38-K61 PolarHBondContact O-N 2.89Å; S38-D465 PolarHBondContact N-OD1 3.43Å; S38-D465 PolarHBondContact OG-OD1 3.03Å |
| 39 | L | 97.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | trans | 60.1 | 36.7 | -170 | -45.4 | 179.4 | 0 | 0 | 0 | 111.6 | G37 G41 F42 K61 W114 W462 D465 | G37-L39 VanDerWaalsContact C-N 3.29Å; L39-G41 PolarHBondContact O-N 3.11Å; L39-F42 HydrophobicContact CB-CB 4.47Å; L39-F42 VanDerWaalsContact O-CB 3.27Å; L39-F42 WeakPolarHBondContact O-CB 3.26Å; L39-F42 PolarHBondContact O-N 3.44Å; L39-F42 VanDerWaalsContact O-N 3.08Å; L39-K61 HydrophobicContact CD1-CB 4.5Å; L39-K61 HydrophobicContact CD1-CD 3.77Å; L39-K61 HydrophobicContact CD1-CG 3.82Å; L39-K61 HydrophobicContact CG-CB 4.26Å; L39-K61 HydrophobicContact CG-CD 4.03Å; L39-K61 HydrophobicContact CG-CG 4.1Å; L39-W114 HydrophobicContact CD1-CH2 4.05Å; L39-W114 HydrophobicContact CD1-CZ2 4.23Å; L39-W462 HydrophobicContact CB-CB 4.4Å; L39-W462 HydrophobicContact CB-CE3 4.5Å; L39-W462 HydrophobicContact CD2-CE3 3.67Å; L39-W462 HydrophobicContact CD2-CZ3 3.98Å; L39-D465 WeakPolarHBondContact CA-OD1 3.15Å; L39-D465 PolarHBondContact N-OD1 2.95Å | ||
| 40 | F | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 126.9 | 179.1 | -179.6 | -83.8 | 0 | 0 | 0 | 110.8 | F32 G34 S38 I57 A59 F76 W462 D465 Q466 A467 | F32-F40 HydrophobicContact CB-CE1 3.92Å; F32-F40 HydrophobicContact CB-CZ 4.15Å; G34-F40 VanDerWaalsContact CA-CG 3.49Å; S38-F40 VanDerWaalsContact C-N 3.26Å; S38-F40 WeakPolarHBondContact OG-CB 3.25Å; S38-F40 PolarHBondContact OG-N 3.25Å; F40-I57 HydrophobicContact CD1-CG2 3.77Å; F40-I57 HydrophobicContact CD2-CB 4.5Å; F40-I57 HydrophobicContact CD2-CG2 3.9Å; F40-I57 HydrophobicContact CE1-CB 4.21Å; F40-I57 HydrophobicContact CE1-CD1 3.51Å; F40-I57 HydrophobicContact CE1-CG1 4.42Å; F40-I57 HydrophobicContact CE1-CG2 3.64Å; F40-I57 HydrophobicContact CE2-CB 3.94Å; F40-I57 HydrophobicContact CE2-CD1 4.38Å; F40-I57 HydrophobicContact CE2-CG2 3.78Å; F40-I57 HydrophobicContact CG-CG2 3.91Å; F40-I57 HydrophobicContact CZ-CB 3.79Å; F40-I57 HydrophobicContact CZ-CD1 3.39Å; F40-I57 HydrophobicContact CZ-CG1 4.12Å; F40-I57 HydrophobicContact CZ-CG2 3.65Å; F40-A59 HydrophobicContact CB-CB 4.04Å; F40-A59 HydrophobicContact CD2-CB 4.14Å; F40-F76 AromaticContact CD2-CD2 3.81Å; F40-F76 HydrophobicContact CD2-CD2 3.81Å; F40-F76 HydrophobicContact CD2-CE2 4.17Å; F40-F76 HydrophobicContact CD2-CG 4.15Å; F40-F76 HydrophobicContact CE2-CB 3.77Å; F40-F76 HydrophobicContact CE2-CD1 4.22Å; F40-F76 AromaticContact CE2-CD2 3.8Å; F40-F76 HydrophobicContact CE2-CD2 3.8Å; F40-F76 HydrophobicContact CE2-CE2 4.49Å; F40-F76 AromaticContact CE2-CG 3.66Å; F40-F76 HydrophobicContact CE2-CG 3.66Å; F40-W462 WeakPolarHBondContact O-CA 3.4Å; F40-D465 HydrophobicContact CB-CB 4.09Å; F40-D465 WeakPolarHBondContact CD1-O 3.36Å; F40-D465 PolarHBondContact N-OD1 3.3Å; F40-D465 CarbonylContact O-C 3.54Å; F40-D465 VanDerWaalsContact O-C 3.25Å; F40-D465 WeakPolarHBondContact O-CA 3.47Å; F40-Q466 PolarHBondContact O-N 3.26Å; F40-A467 HydrophobicContact CE1-CB 4.4Å |
| 41 | G | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 4.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L39 S43 I57 G58 S442 G460 | L39-G41 PolarHBondContact O-N 3.11Å; G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.38Å; G41-I57 VanDerWaalsContact N-CG2 3.25Å; G41-G58 PolarHBondContact N-O 2.84Å; G41-G58 VanDerWaalsContact N-O 3.09Å; G41-S442 PolarHBondContact O-OG 2.84Å; G41-G460 WeakPolarHBondContact O-CA 3.32Å |
| 42 | F | 98.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 18% | 0.18 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -62.5 | -40.2 | 177.2 | -173.8 | -90.2 | 0 | 0 | 0 | 111.8 | L39 G58 P60 W114 A117 F441 S442 W462 | L39-F42 HydrophobicContact CB-CB 4.47Å; L39-F42 VanDerWaalsContact O-CB 3.27Å; L39-F42 WeakPolarHBondContact O-CB 3.26Å; L39-F42 PolarHBondContact O-N 3.44Å; L39-F42 VanDerWaalsContact O-N 3.08Å; F42-G58 PolarHBondContact N-O 2.96Å; F42-P60 HydrophobicContact CB-CG 3.77Å; F42-P60 HydrophobicContact CD1-CG 3.77Å; F42-P60 HydrophobicContact CG-CG 3.79Å; F42-W114 HydrophobicContact CE1-CZ3 4.41Å; F42-W114 AromaticContact CE2-CZ3 3.92Å; F42-W114 HydrophobicContact CE2-CZ3 3.92Å; F42-W114 AromaticContact CZ-CZ3 3.83Å; F42-W114 HydrophobicContact CZ-CZ3 3.83Å; F42-A117 HydrophobicContact CD1-CB 4.36Å; F42-A117 WeakPolarHBondContact CD1-O 3.46Å; F42-A117 HydrophobicContact CE1-CB 4.1Å; F42-A117 WeakPolarHBondContact CE1-O 3.18Å; F42-F441 HydrophobicContact CD2-CE1 4.16Å; F42-F441 AromaticContact CE2-CE1 3.75Å; F42-F441 HydrophobicContact CE2-CE1 3.75Å; F42-F441 HydrophobicContact CE2-CZ 4.21Å; F42-F441 HydrophobicContact CZ-CE1 4.02Å; F42-F441 HydrophobicContact CZ-CZ 4.44Å; F42-S442 WeakPolarHBondContact O-CB 3.13Å; F42-W462 HydrophobicContact CB-CB 4.03Å; F42-W462 HydrophobicContact CB-CG 4.46Å; F42-W462 HydrophobicContact CD2-CB 4.41Å; F42-W462 HydrophobicContact CD2-CD2 4.28Å; F42-W462 AromaticContact CD2-CG 4Å; F42-W462 HydrophobicContact CD2-CG 4Å |
| 43 | S | 98.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148 | 170.3 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | G41 G58 G116 A117 V119 | G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.38Å; S43-G58 PolarHBondContact O-N 3.48Å; S43-G116 PolarHBondContact OG-O 3.01Å; S43-A117 WeakPolarHBondContact CB-O 3.29Å; S43-V119 WeakPolarHBondContact OG-CG2 3.46Å |
| 44 | I | 97.7 | Very high | 93 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 146.4 | -174.4 | 51.3 | 167.8 | 0 | 0 | 0 | 110.3 | V56 I57 R444 L458 A467 | I44-V56 WeakPolarHBondContact CA-O 3.49Å; I44-I57 HydrophobicContact CG2-CG1 4.22Å; I44-I57 HydrophobicContact CG2-CG2 4.23Å; I44-R444 HydrophobicContact CD1-CB 4.31Å; I44-R444 HydrophobicContact CG1-CB 4.32Å; I44-L458 HydrophobicContact CD1-CB 3.58Å; I44-L458 WeakPolarHBondContact CD1-O 3.37Å; I44-A467 HydrophobicContact CG2-CB 4.4Å |
| 45 | D | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 162.9 | 168.1 | -152.8 | -4.8 | 0 | 0 | 0 | 111.6 | V56 V119 R120 S121 R444 | D45-V56 PolarHBondContact N-O 2.96Å; D45-V56 PolarHBondContact O-N 3.5Å; D45-V119 HydrophobicContact CB-CG2 4.26Å; D45-R120 WeakPolarHBondContact OD2-CA 3.4Å; D45-S121 PolarHBondContact OD2-N 3.44Å; D45-R444 WeakPolarHBondContact OD1-CG 3.34Å; D45-R444 IonicContact OD1-CZ 2.73Å; D45-R444 IonicContact OD1-NE 3.93Å; D45-R444 PolarHBondContact OD1-NE 3.38Å; D45-R444 IonicContact OD1-NH2 3.84Å; D45-R444 PolarHBondContact OD1-NH2 2.84Å; D45-R444 IonicContact OD2-CZ 2.71Å; D45-R444 IonicContact OD2-NE 3.01Å; D45-R444 IonicContact OD2-NH2 2.76Å; D45-R444 PolarHBondContact OD2-NH2 2.86Å |
| 46 | F | 94.3 | Very high | 93 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 144.2 | 166.6 | -62.5 | -81.7 | 0 | 0 | 0 | 109.9 | S121 R444 V447 L449 L458 L469 | F46-S121 WeakPolarHBondContact O-CB 3.46Å; F46-S121 PolarHBondContact O-OG 3.21Å; F46-R444 HydrophobicContact CD2-CG 3.98Å; F46-R444 HydrophobicContact CE2-CB 4.38Å; F46-R444 HydrophobicContact CE2-CG 4.21Å; F46-R444 WeakPolarHBondContact CE2-O 3.36Å; F46-V447 HydrophobicContact CB-CB 4.19Å; F46-V447 HydrophobicContact CB-CG2 3.72Å; F46-V447 HydrophobicContact CD1-CB 4.28Å; F46-V447 HydrophobicContact CD2-CB 4.06Å; F46-V447 HydrophobicContact CD2-CG2 3.92Å; F46-V447 HydrophobicContact CE2-CB 4.48Å; F46-V447 HydrophobicContact CG-CB 3.93Å; F46-V447 HydrophobicContact CG-CG2 3.88Å; F46-L449 HydrophobicContact CD1-CD1 4.06Å; F46-L449 HydrophobicContact CD1-CD2 4.03Å; F46-L449 HydrophobicContact CD1-CG 4.19Å; F46-L449 HydrophobicContact CE1-CD1 3.62Å; F46-L449 HydrophobicContact CE1-CD2 4.33Å; F46-L449 HydrophobicContact CE1-CG 3.99Å; F46-L458 HydrophobicContact CD1-CD1 3.6Å; F46-L458 HydrophobicContact CD1-CG 4.29Å; F46-L458 HydrophobicContact CD2-CD1 3.96Å; F46-L458 HydrophobicContact CE1-CD1 3.35Å; F46-L458 HydrophobicContact CE1-CD2 4.32Å; F46-L458 HydrophobicContact CE1-CG 3.52Å; F46-L458 HydrophobicContact CE2-CB 4.46Å; F46-L458 HydrophobicContact CE2-CD1 3.71Å; F46-L458 HydrophobicContact CE2-CG 3.98Å; F46-L458 HydrophobicContact CG-CD1 3.92Å; F46-L458 HydrophobicContact CZ-CB 4.17Å; F46-L458 HydrophobicContact CZ-CD1 3.44Å; F46-L458 VanDerWaalsContact CZ-CD1 3.44Å; F46-L458 HydrophobicContact CZ-CG 3.37Å; F46-L469 HydrophobicContact CE1-CD1 4Å; F46-L469 HydrophobicContact CZ-CD1 4.28Å |
| 47 | H | 92.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.2 | 174.9 | -170.9 | 67.8 | 0 | 0 | 0 | 110.8 | F53 F54 V56 S121 S123 Q158 | H47-F53 WeakPolarHBondContact O-CA 3.46Å; H47-F54 PolarHBondContact N-O 2.98Å; H47-F54 PolarHBondContact O-N 2.87Å; H47-V56 HydrophobicContact CB-CG2 3.48Å; H47-V56 VanDerWaalsContact CB-CG2 3.48Å; H47-S121 PolarHBondContact ND1-OG 3.45Å; H47-S123 PolarHBondContact CE1-O 2.76Å; H47-Q158 PolarHBondContact CD2-NE2 2.89Å; H47-Q158 PolarHBondContact NE2-NE2 2.83Å; H47-Q158 PolarHBondContact NE2-OE1 3.24Å |
| 48 | S | 89.1 | Confident | 93.4 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.9 | 176 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | T52 S124 | S48-T52 CarbonylContact C-O 3.51Å; S48-T52 WeakPolarHBondContact CA-O 3.42Å; S48-S124 CarbonylContact O-C 3.1Å; S48-S124 WeakPolarHBondContact O-CA 3.36Å; S48-S124 WeakPolarHBondContact O-CB 3.39Å; S48-S124 VanDerWaalsContact O-O 3.13Å |
| 49 | F | 85.7 | Confident | 93.5 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 13% | 0.127 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 137.9 | 176.9 | 174.9 | -112.8 | 0 | 0 | 0 | 109.4 | N51 T52 F54 S124 Q158 M159 | F49-N51 PolarHBondContact O-N 2.03Å; F49-N51 VanDerWaalsContact O-N 3.11Å; F49-T52 PolarHBondContact N-O 2.92Å; F49-T52 PolarHBondContact O-N 2.93Å; F49-T52 VanDerWaalsContact O-O 3.09Å; F49-T52 PolarHBondContact O-OG1 3.33Å; F49-F54 HydrophobicContact CB-CE2 4.45Å; F49-S124 WeakPolarHBondContact CD2-O 3.49Å; F49-Q158 HydrophobicContact CD2-CB 3.92Å; F49-Q158 HydrophobicContact CE1-CB 4.45Å; F49-Q158 HydrophobicContact CE2-CB 3.75Å; F49-Q158 HydrophobicContact CG-CB 4.37Å; F49-Q158 HydrophobicContact CZ-CB 4.03Å; F49-M159 HydrophobicContact CE2-CG 4.3Å |
| 50 | N | 83.1 | Confident | 93.5 | Very high | 118 Ų | 118 | 28.2 Ų | 28.2 | 63% | 0.631 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 38.7 | -176.7 | -72.4 | -18.5 | 0 | 0 | 0 | 114.2 | T52 | N50-T52 PolarHBondContact O-N 3.31Š|
| 51 | N | 81.6 | Confident | 93.5 | Very high | 159 Ų | 159 | 31.5 Ų | 31.5 | 85% | 0.85 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 18.6 | -178.4 | -149.5 | 50.9 | 0 | 0 | 0 | 114.4 | F49 | F49-N51 PolarHBondContact O-N 2.03Å; F49-N51 VanDerWaalsContact O-N 3.11Å |
| 52 | T | 86.6 | Confident | 93.5 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.9 | 170.8 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | S48 F49 N50 F54 | S48-T52 CarbonylContact C-O 3.51Å; S48-T52 WeakPolarHBondContact CA-O 3.42Å; F49-T52 PolarHBondContact N-O 2.92Å; F49-T52 PolarHBondContact O-N 2.93Å; F49-T52 VanDerWaalsContact O-O 3.09Å; F49-T52 PolarHBondContact O-OG1 3.33Å; N50-T52 PolarHBondContact O-N 3.31Å; T52-F54 WeakPolarHBondContact OG1-CE2 3.46Å; T52-F54 WeakPolarHBondContact OG1-CZ 3.47Å |
| 53 | F | 88.8 | Confident | 93.4 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.4 | 178.8 | -66.6 | -85.5 | 0 | 0 | 0 | 110.9 | H47 V447 L449 | H47-F53 WeakPolarHBondContact O-CA 3.46Å; F53-V447 HydrophobicContact CD1-CG1 3.88Å; F53-V447 HydrophobicContact CE1-CG1 3.78Å; F53-L449 HydrophobicContact CB-CD2 3.36Å; F53-L449 HydrophobicContact CD1-CD2 4.11Å; F53-L449 HydrophobicContact CG-CD2 3.83Å |
| 54 | F | 91.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.7 | 178.9 | -58.9 | -86.1 | 0 | 0 | 0 | 109.8 | H47 F49 T52 L77 C78 T79 | H47-F54 PolarHBondContact N-O 2.98Å; H47-F54 PolarHBondContact O-N 2.87Å; F49-F54 HydrophobicContact CB-CE2 4.45Å; T52-F54 WeakPolarHBondContact OG1-CE2 3.46Å; T52-F54 WeakPolarHBondContact OG1-CZ 3.47Å; F54-L77 HydrophobicContact CB-CD1 3.43Å; F54-L77 VanDerWaalsContact CB-CD1 3.43Å; F54-L77 HydrophobicContact CB-CG 3.87Å; F54-L77 HydrophobicContact CD1-CD1 4.34Å; F54-L77 HydrophobicContact CD1-CD2 4.01Å; F54-L77 HydrophobicContact CD1-CG 3.84Å; F54-L77 HydrophobicContact CD2-CD1 4.44Å; F54-L77 HydrophobicContact CD2-CD2 4.43Å; F54-L77 HydrophobicContact CE1-CD2 4.3Å; F54-L77 HydrophobicContact CG-CD1 3.85Å; F54-L77 HydrophobicContact CG-CD2 4.08Å; F54-L77 HydrophobicContact CG-CG 3.87Å; F54-C78 WeakPolarHBondContact CA-O 3.06Å; F54-T79 HydrophobicContact CD1-CG2 4.36Å; F54-T79 HydrophobicContact CE1-CG2 4.18Å |
| 55 | V | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.6 | 168.6 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | F32 I57 C78 L458 | F32-V55 HydrophobicContact CE2-CB 4.44Å; F32-V55 HydrophobicContact CE2-CG1 4.31Å; F32-V55 HydrophobicContact CE2-CG2 4.19Å; F32-V55 HydrophobicContact CZ-CB 4.34Å; F32-V55 HydrophobicContact CZ-CG2 4.03Å; V55-I57 HydrophobicContact CG1-CD1 3.91Å; V55-I57 HydrophobicContact CG1-CG1 3.76Å; V55-C78 HydrophobicContact CB-CB 4.19Å; V55-C78 PolarHBondContact N-O 3.42Å; V55-C78 PolarHBondContact O-N 2.84Å; V55-L458 HydrophobicContact CB-CD1 4.49Å; V55-L458 HydrophobicContact CB-CD2 4.47Å; V55-L458 HydrophobicContact CG1-CD1 3.7Å; V55-L458 HydrophobicContact CG1-CD2 3.65Å; V55-L458 HydrophobicContact CG1-CG 4.35Å; V55-L458 HydrophobicContact CG2-CD1 4.25Å; V55-L458 HydrophobicContact CG2-CD2 3.94Å |
| 56 | V | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.2 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | I44 D45 H47 V75 F76 L77 V119 L127 | I44-V56 WeakPolarHBondContact CA-O 3.49Å; D45-V56 PolarHBondContact N-O 2.96Å; D45-V56 PolarHBondContact O-N 3.5Å; H47-V56 HydrophobicContact CB-CG2 3.48Å; H47-V56 VanDerWaalsContact CB-CG2 3.48Å; V56-V75 HydrophobicContact CG1-CG1 3.37Å; V56-F76 WeakPolarHBondContact CA-O 3.47Å; V56-L77 HydrophobicContact CG2-CD1 3.76Å; V56-V119 HydrophobicContact CG1-CB 4.31Å; V56-V119 HydrophobicContact CG1-CG1 4.48Å; V56-V119 HydrophobicContact CG1-CG2 4.32Å; V56-L127 HydrophobicContact CG1-CD1 4.21Å; V56-L127 HydrophobicContact CG1-CD2 4.07Å; V56-L127 HydrophobicContact CG2-CD1 4.05Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å |
| 57 | I | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122 | -176.1 | -54.2 | -179.7 | 0 | 0 | 0 | 109.9 | F32 F40 G41 I44 V55 F76 A467 | F32-I57 HydrophobicContact CB-CD1 3.75Å; F32-I57 HydrophobicContact CD2-CD1 4.14Å; F32-I57 HydrophobicContact CG-CD1 3.98Å; F40-I57 HydrophobicContact CD1-CG2 3.77Å; F40-I57 HydrophobicContact CD2-CB 4.5Å; F40-I57 HydrophobicContact CD2-CG2 3.9Å; F40-I57 HydrophobicContact CE1-CB 4.21Å; F40-I57 HydrophobicContact CE1-CD1 3.51Å; F40-I57 HydrophobicContact CE1-CG1 4.42Å; F40-I57 HydrophobicContact CE1-CG2 3.64Å; F40-I57 HydrophobicContact CE2-CB 3.94Å; F40-I57 HydrophobicContact CE2-CD1 4.38Å; F40-I57 HydrophobicContact CE2-CG2 3.78Å; F40-I57 HydrophobicContact CG-CG2 3.91Å; F40-I57 HydrophobicContact CZ-CB 3.79Å; F40-I57 HydrophobicContact CZ-CD1 3.39Å; F40-I57 HydrophobicContact CZ-CG1 4.12Å; F40-I57 HydrophobicContact CZ-CG2 3.65Å; G41-I57 VanDerWaalsContact N-CG2 3.25Å; I44-I57 HydrophobicContact CG2-CG1 4.22Å; I44-I57 HydrophobicContact CG2-CG2 4.23Å; V55-I57 HydrophobicContact CG1-CD1 3.91Å; V55-I57 HydrophobicContact CG1-CG1 3.76Å; I57-F76 PolarHBondContact N-O 2.88Å; I57-F76 PolarHBondContact O-N 2.86Å; I57-A467 HydrophobicContact CD1-CB 3.66Å |
| 58 | G | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G41 F42 S43 G116 | G41-G58 PolarHBondContact N-O 2.84Å; G41-G58 VanDerWaalsContact N-O 3.09Å; F42-G58 PolarHBondContact N-O 2.96Å; S43-G58 PolarHBondContact O-N 3.48Å; G58-G116 WeakPolarHBondContact CA-O 3.48Å |
| 59 | A | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 83.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S38 F40 K61 A62 G73 G74 F76 | S38-A59 CarbonylContact O-C 3.59Å; S38-A59 WeakPolarHBondContact O-CA 3.45Å; F40-A59 HydrophobicContact CB-CB 4.04Å; F40-A59 HydrophobicContact CD2-CB 4.14Å; A59-K61 PolarHBondContact O-N 2.87Å; A59-A62 HydrophobicContact CB-CB 3.95Å; A59-A62 WeakPolarHBondContact O-CB 3.12Å; A59-A62 PolarHBondContact O-N 2.88Å; A59-G73 WeakPolarHBondContact O-CA 3.46Å; A59-G74 PolarHBondContact N-O 2.92Å; A59-G74 PolarHBondContact O-N 3.38Å; A59-F76 HydrophobicContact CB-CD2 4.05Å; A59-F76 HydrophobicContact CB-CE2 3.71Å |
| 60 | P | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.7 | -169.9 | -28.2 | 34.7 | 0 | 0 | 0 | 116.1 | F42 G73 W114 F115 A117 | F42-P60 HydrophobicContact CB-CG 3.77Å; F42-P60 HydrophobicContact CD1-CG 3.77Å; F42-P60 HydrophobicContact CG-CG 3.79Å; P60-G73 VanDerWaalsContact C-CA 3.49Å; P60-G73 WeakPolarHBondContact O-CA 3.12Å; P60-G73 PolarHBondContact O-N 3Å; P60-W114 HydrophobicContact CB-CB 4Å; P60-W114 HydrophobicContact CB-CD2 3.86Å; P60-W114 HydrophobicContact CB-CE3 3.77Å; P60-W114 HydrophobicContact CB-CG 3.97Å; P60-W114 HydrophobicContact CG-CE3 4.28Å; P60-W114 WeakPolarHBondContact O-CA 3.42Å; P60-F115 WeakPolarHBondContact CA-O 3.38Å; P60-A117 HydrophobicContact CB-CB 4.49Å; P60-A117 HydrophobicContact CG-CB 4.15Å |
| 61 | K | 98.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 30% | 0.296 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 9.4 | -180 | -69.5 | -167 | 169.4 | -159.3 | 0 | 113.8 | G37 S38 L39 A59 N63 E71 | G37-K61 WeakPolarHBondContact O-CB 3.48Å; S38-K61 PolarHBondContact O-N 2.89Å; L39-K61 HydrophobicContact CD1-CB 4.5Å; L39-K61 HydrophobicContact CD1-CD 3.77Å; L39-K61 HydrophobicContact CD1-CG 3.82Å; L39-K61 HydrophobicContact CG-CB 4.26Å; L39-K61 HydrophobicContact CG-CD 4.03Å; L39-K61 HydrophobicContact CG-CG 4.1Å; A59-K61 PolarHBondContact O-N 2.87Å; K61-N63 PolarHBondContact O-N 3.2Å; K61-E71 IonicContact NZ-OE2 3.68Å |
| 62 | A | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | trans | -58.4 | 138.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | A59 G73 F76 | A59-A62 HydrophobicContact CB-CB 3.95Å; A59-A62 WeakPolarHBondContact O-CB 3.12Å; A59-A62 PolarHBondContact O-N 2.88Å; A62-G73 WeakPolarHBondContact O-CA 3.33Å; A62-G73 PolarHBondContact O-N 2.78Å; A62-F76 HydrophobicContact CB-CE2 4.2Å | ||
| 63 | N | 96.6 | Very high | 96 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | trans | -78.7 | 140 | 166.6 | -76.8 | -46.8 | 0 | 0 | 0 | 109.5 | K61 E71 | K61-N63 PolarHBondContact O-N 3.2Å; N63-E71 PolarHBondContact OD1-N 2.79Å | ||
| 64 | T | 94.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | trans | -118.3 | 176.8 | -178 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | Q66 G73 I88 | T64-Q66 PolarHBondContact O-N 2.75Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.47Å; T64-Q66 WeakPolarHBondContact OG1-CG 3.23Å; T64-Q66 PolarHBondContact OG1-N 3.46Å; T64-Q66 PolarHBondContact OG1-OE1 2.81Å; T64-G73 VanDerWaalsContact CG2-O 3.22Å; T64-G73 WeakPolarHBondContact CG2-O 3.4Å; T64-I88 HydrophobicContact CG2-CD1 4.15Å | ||
| 65 | S | 93.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 62% | 0.615 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -78.5 | 2.5 | 174 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | L93 | S65-L93 WeakPolarHBondContact OG-CD2 3.42Š|
| 66 | Q | 95.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | trans | -65.9 | 128.1 | -178.1 | -68.1 | 172.7 | -77.8 | 0 | 0 | 110.9 | T64 G68 V69 D92 T94 | T64-Q66 PolarHBondContact O-N 2.75Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.47Å; T64-Q66 WeakPolarHBondContact OG1-CG 3.23Å; T64-Q66 PolarHBondContact OG1-N 3.46Å; T64-Q66 PolarHBondContact OG1-OE1 2.81Å; Q66-G68 PolarHBondContact O-N 2.93Å; Q66-V69 HydrophobicContact CB-CB 3.84Å; Q66-V69 HydrophobicContact CB-CG1 4.47Å; Q66-V69 HydrophobicContact CB-CG2 3.88Å; Q66-V69 PolarHBondContact O-N 3.02Å; Q66-D92 WeakPolarHBondContact CG-O 3.48Å; Q66-D92 PolarHBondContact NE2-O 3.36Å; Q66-T94 PolarHBondContact NE2-O 2.84Å | ||
| 67 | P | 96.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 127.1 | -175.4 | 27.4 | -34.1 | 0 | 0 | 0 | 111.3 | V69 L93 G95 | P67-V69 PolarHBondContact O-N 3.29Å; P67-L93 WeakPolarHBondContact CD-O 3.45Å; P67-G95 WeakPolarHBondContact O-CA 3.42Å |
| 68 | G | 95.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 34.4 Ų | 34.4 | 78% | 0.784 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 10 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q66 | Q66-G68 PolarHBondContact O-N 2.93Š|
| 69 | V | 96.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | trans | -105.7 | 128.2 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 110 | Q66 P67 K110 S111 | Q66-V69 HydrophobicContact CB-CB 3.84Å; Q66-V69 HydrophobicContact CB-CG1 4.47Å; Q66-V69 HydrophobicContact CB-CG2 3.88Å; Q66-V69 PolarHBondContact O-N 3.02Å; P67-V69 PolarHBondContact O-N 3.29Å; V69-K110 HydrophobicContact CG1-CB 4Å; V69-K110 HydrophobicContact CG2-CB 3.92Å; V69-S111 WeakPolarHBondContact CA-OG 3.48Å | ||
| 70 | T | 96.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -113.4 | 134.9 | 176 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | G72 S111 G112 | T70-G72 PolarHBondContact O-N 2.97Å; T70-S111 PolarHBondContact N-OG 2.89Å; T70-S111 VanDerWaalsContact N-OG 3.09Å; T70-S111 CarbonylContact O-C 3.57Å; T70-S111 WeakPolarHBondContact O-CA 3.24Å; T70-G112 PolarHBondContact O-N 3.05Å |
| 71 | E | 96.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 48 | 44.5 | -177.4 | -60 | -175.3 | -170.8 | 0 | 0 | 111.9 | K61 N63 G73 G112 | K61-E71 IonicContact NZ-OE2 3.68Å; N63-E71 PolarHBondContact OD1-N 2.79Å; E71-G73 PolarHBondContact O-N 3.42Å; E71-G112 WeakPolarHBondContact O-CA 3.34Å; E71-G112 PolarHBondContact O-N 2.82Å |
| 72 | G | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -66.1 | -23 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T70 Q113 F115 | T70-G72 PolarHBondContact O-N 2.97Å; G72-Q113 WeakPolarHBondContact O-CG 3.39Å; G72-Q113 PolarHBondContact O-NE2 3.32Å; G72-F115 WeakPolarHBondContact O-CB 3.37Å; G72-F115 PolarHBondContact O-N 2.95Å | ||
| 73 | G | 97.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | 85.2 | 154.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 P60 A62 T64 E71 F115 | A59-G73 WeakPolarHBondContact O-CA 3.46Å; P60-G73 VanDerWaalsContact C-CA 3.49Å; P60-G73 WeakPolarHBondContact O-CA 3.12Å; P60-G73 PolarHBondContact O-N 3Å; A62-G73 WeakPolarHBondContact O-CA 3.33Å; A62-G73 PolarHBondContact O-N 2.78Å; T64-G73 VanDerWaalsContact CG2-O 3.22Å; T64-G73 WeakPolarHBondContact CG2-O 3.4Å; E71-G73 PolarHBondContact O-N 3.42Å; G73-F115 CarbonylContact C-O 3.57Å; G73-F115 VanDerWaalsContact C-O 3.25Å; G73-F115 VanDerWaalsContact CA-O 3.25Å; G73-F115 WeakPolarHBondContact CA-O 3.5Å |
| 74 | G | 97.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 163.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 F115 | A59-G74 PolarHBondContact N-O 2.92Å; A59-G74 PolarHBondContact O-N 3.38Å; G74-F115 PolarHBondContact N-O 3Å; G74-F115 VanDerWaalsContact N-O 3.09Å |
| 75 | V | 98 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.6 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V56 I89 F91 F115 V119 A129 | V56-V75 HydrophobicContact CG1-CG1 3.37Å; V75-I89 HydrophobicContact CG1-CD1 4.06Å; V75-I89 PolarHBondContact O-N 3.4Å; V75-F91 HydrophobicContact CB-CE2 3.92Å; V75-F91 HydrophobicContact CG1-CE2 4.26Å; V75-F91 HydrophobicContact CG2-CE2 4.27Å; V75-F115 HydrophobicContact CG2-CD1 4.35Å; V75-F115 HydrophobicContact CG2-CE1 3.85Å; V75-F115 HydrophobicContact CG2-CZ 4.3Å; V75-V119 HydrophobicContact CG1-CG1 4.12Å; V75-V119 HydrophobicContact CG2-CG1 3.92Å; V75-A129 HydrophobicContact CG2-CB 3.61Å |
| 76 | F | 97.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 46 Ų | 46 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140 | -177.6 | -68 | -101.5 | 0 | 0 | 0 | 110.3 | P35 F40 V56 I57 A59 A62 C86 D87 I88 | P35-F76 HydrophobicContact CG-CZ 4.06Å; F40-F76 AromaticContact CD2-CD2 3.81Å; F40-F76 HydrophobicContact CD2-CD2 3.81Å; F40-F76 HydrophobicContact CD2-CE2 4.17Å; F40-F76 HydrophobicContact CD2-CG 4.15Å; F40-F76 HydrophobicContact CE2-CB 3.77Å; F40-F76 HydrophobicContact CE2-CD1 4.22Å; F40-F76 AromaticContact CE2-CD2 3.8Å; F40-F76 HydrophobicContact CE2-CD2 3.8Å; F40-F76 HydrophobicContact CE2-CE2 4.49Å; F40-F76 AromaticContact CE2-CG 3.66Å; F40-F76 HydrophobicContact CE2-CG 3.66Å; V56-F76 WeakPolarHBondContact CA-O 3.47Å; I57-F76 PolarHBondContact N-O 2.88Å; I57-F76 PolarHBondContact O-N 2.86Å; A59-F76 HydrophobicContact CB-CD2 4.05Å; A59-F76 HydrophobicContact CB-CE2 3.71Å; A62-F76 HydrophobicContact CB-CE2 4.2Å; F76-C86 HydrophobicContact CB-CB 4.42Å; F76-C86 HydrophobicContact CD1-CB 4.38Å; F76-D87 CarbonylContact C-O 3.25Å; F76-D87 VanDerWaalsContact CA-O 3.26Å; F76-D87 WeakPolarHBondContact CA-O 3.23Å; F76-I88 HydrophobicContact CD1-CB 4.09Å; F76-I88 HydrophobicContact CE1-CB 3.84Å; F76-I88 HydrophobicContact CE1-CG1 4.42Å; F76-I88 HydrophobicContact CE2-CD1 4.49Å; F76-I88 HydrophobicContact CZ-CB 4.19Å; F76-I88 HydrophobicContact CZ-CD1 4.21Å; F76-I88 HydrophobicContact CZ-CG1 4.31Å |
| 77 | L | 94.6 | Very high | 90.1 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116 | 170 | -163.6 | 67.3 | 0 | 0 | 0 | 108.3 | F54 V56 C86 D87 I89 | F54-L77 HydrophobicContact CB-CD1 3.43Å; F54-L77 VanDerWaalsContact CB-CD1 3.43Å; F54-L77 HydrophobicContact CB-CG 3.87Å; F54-L77 HydrophobicContact CD1-CD1 4.34Å; F54-L77 HydrophobicContact CD1-CD2 4.01Å; F54-L77 HydrophobicContact CD1-CG 3.84Å; F54-L77 HydrophobicContact CD2-CD1 4.44Å; F54-L77 HydrophobicContact CD2-CD2 4.43Å; F54-L77 HydrophobicContact CE1-CD2 4.3Å; F54-L77 HydrophobicContact CG-CD1 3.85Å; F54-L77 HydrophobicContact CG-CD2 4.08Å; F54-L77 HydrophobicContact CG-CG 3.87Å; V56-L77 HydrophobicContact CG2-CD1 3.76Å; L77-C86 WeakPolarHBondContact O-CA 3.1Å; L77-D87 PolarHBondContact N-O 2.95Å; L77-D87 PolarHBondContact O-N 2.81Å; L77-I89 HydrophobicContact CB-CD1 3.86Å; L77-I89 HydrophobicContact CB-CG1 3.83Å; L77-I89 HydrophobicContact CD1-CD1 4.35Å |
| 78 | C | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.5 | -176.7 | -54.8 | 0 | 0 | 0 | 0 | 111 | F32 F54 V55 A85 C86 | F32-C78 HydrophobicContact CD1-CB 3.67Å; F32-C78 HydrophobicContact CE1-CB 3.73Å; F32-C78 HydrophobicContact CG-CB 4.44Å; F54-C78 WeakPolarHBondContact CA-O 3.06Å; V55-C78 HydrophobicContact CB-CB 4.19Å; V55-C78 PolarHBondContact N-O 3.42Å; V55-C78 PolarHBondContact O-N 2.84Å; C78-A85 CarbonylContact C-O 3.56Å; C78-A85 VanDerWaalsContact CA-O 3.31Å; C78-A85 WeakPolarHBondContact CA-O 3.29Å; C78-C86 HydrophobicContact CB-CB 4.06Å; C78-C86 WeakPolarHBondContact CB-SG 3.49Å; C78-C86 WeakPolarHBondContact SG-CB 3.21Å; C78-C86 CovalentContact SG-SG 2.03Å; C78-C86 PolarHBondContact SG-SG 3.46Å |
| 79 | T | 89.9 | Confident | 90 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.1 | 168.7 | 66.3 | 0 | 0 | 0 | 0 | 109.2 | F32 F54 S81 A85 | F32-T79 WeakPolarHBondContact CE1-O 3.13Å; F54-T79 HydrophobicContact CD1-CG2 4.36Å; F54-T79 HydrophobicContact CE1-CG2 4.18Å; T79-S81 PolarHBondContact O-N 3.28Å; T79-S81 PolarHBondContact OG1-OG 2.93Å; T79-A85 PolarHBondContact N-O 2.95Å; T79-A85 PolarHBondContact OG1-O 3.07Å |
| 80 | W | 81.2 | Confident | 89.8 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | trans | -76.6 | 12.4 | 178.5 | 72.4 | -87 | 0 | 0 | 0 | 113.7 | L449 D450 L469 | W80-L449 HydrophobicContact CB-CD1 4.39Å; W80-D450 HydrophobicContact CH2-CB 4.17Å; W80-D450 HydrophobicContact CZ3-CB 4.39Å; W80-L469 HydrophobicContact CB-CD2 4.15Å | ||
| 81 | S | 76.2 | Confident | 89.7 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -58.4 | 157.1 | 175.6 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | T79 D83 G84 | T79-S81 PolarHBondContact O-N 3.28Å; T79-S81 PolarHBondContact OG1-OG 2.93Å; S81-D83 PolarHBondContact O-N 2.79Å; S81-G84 PolarHBondContact O-N 2.86Å |
| 82 | P | 68.8 | Low | 89.4 | Confident | 122 Ų | 122 | 45.4 Ų | 45.4 | 79% | 0.792 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.8 | -178.3 | -25.1 | 33.9 | 0 | 0 | 0 | 114.2 | G84 | P82-G84 VanDerWaalsContact C-N 3.32Š|
| 83 | D | 72.4 | Confident | 89.3 | Confident | 151 Ų | 151 | 49.6 Ų | 49.6 | 81% | 0.807 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -12 | -180 | -58.3 | -32.6 | 0 | 0 | 0 | 112.9 | S81 A85 | S81-D83 PolarHBondContact O-N 2.79Å; D83-A85 VanDerWaalsContact C-N 3.29Å; D83-A85 PolarHBondContact O-N 3Å |
| 84 | G | 75 | Confident | 89 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | trans | 61.3 | 31.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F32 S81 P82 C86 | F32-G84 WeakPolarHBondContact CD1-O 3.37Å; S81-G84 PolarHBondContact O-N 2.86Å; P82-G84 VanDerWaalsContact C-N 3.32Å; G84-C86 PolarHBondContact O-N 2.84Å; G84-C86 PolarHBondContact O-SG 3.01Å | ||
| 85 | A | 86.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | trans | -62.4 | 130.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C78 T79 D83 | C78-A85 CarbonylContact C-O 3.56Å; C78-A85 VanDerWaalsContact CA-O 3.31Å; C78-A85 WeakPolarHBondContact CA-O 3.29Å; T79-A85 PolarHBondContact N-O 2.95Å; T79-A85 PolarHBondContact OG1-O 3.07Å; D83-A85 VanDerWaalsContact C-N 3.29Å; D83-A85 PolarHBondContact O-N 3Å | ||
| 86 | C | 93.3 | Very high | 88.7 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.2 | -177.7 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | F76 L77 C78 G84 | F76-C86 HydrophobicContact CB-CB 4.42Å; F76-C86 HydrophobicContact CD1-CB 4.38Å; L77-C86 WeakPolarHBondContact O-CA 3.1Å; C78-C86 HydrophobicContact CB-CB 4.06Å; C78-C86 WeakPolarHBondContact CB-SG 3.49Å; C78-C86 WeakPolarHBondContact SG-CB 3.21Å; C78-C86 CovalentContact SG-SG 2.03Å; C78-C86 PolarHBondContact SG-SG 3.46Å; G84-C86 PolarHBondContact O-N 2.84Å; G84-C86 PolarHBondContact O-SG 3.01Å |
| 87 | D | 93.1 | Very high | 88.5 | Confident | 120 Ų | 120 | 58.4 Ų | 58.4 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.8 | 175.4 | -65.9 | -50.3 | 0 | 0 | 0 | 110.1 | F76 L77 | F76-D87 CarbonylContact C-O 3.25Å; F76-D87 VanDerWaalsContact CA-O 3.26Å; F76-D87 WeakPolarHBondContact CA-O 3.23Å; L77-D87 PolarHBondContact N-O 2.95Å; L77-D87 PolarHBondContact O-N 2.81Å |
| 88 | I | 94.7 | Very high | 88.4 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 35% | 0.354 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139.4 | 173.4 | -167.9 | 168.5 | 0 | 0 | 0 | 110.1 | T64 F76 | T64-I88 HydrophobicContact CG2-CD1 4.15Å; F76-I88 HydrophobicContact CD1-CB 4.09Å; F76-I88 HydrophobicContact CE1-CB 3.84Å; F76-I88 HydrophobicContact CE1-CG1 4.42Å; F76-I88 HydrophobicContact CE2-CD1 4.49Å; F76-I88 HydrophobicContact CZ-CB 4.19Å; F76-I88 HydrophobicContact CZ-CD1 4.21Å; F76-I88 HydrophobicContact CZ-CG1 4.31Å |
| 89 | I | 94.4 | Very high | 88.2 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | trans | -93.2 | 126.4 | 177.8 | -54.9 | 171.4 | 0 | 0 | 0 | 109.8 | V75 L77 F91 L127 L156 W161 | V75-I89 HydrophobicContact CG1-CD1 4.06Å; V75-I89 PolarHBondContact O-N 3.4Å; L77-I89 HydrophobicContact CB-CD1 3.86Å; L77-I89 HydrophobicContact CB-CG1 3.83Å; L77-I89 HydrophobicContact CD1-CD1 4.35Å; I89-F91 HydrophobicContact CB-CD2 3.95Å; I89-F91 HydrophobicContact CB-CE2 3.85Å; I89-F91 HydrophobicContact CD1-CE2 4.13Å; I89-F91 HydrophobicContact CG2-CD2 3.62Å; I89-F91 HydrophobicContact CG2-CE2 3.59Å; I89-F91 PolarHBondContact O-N 2.91Å; I89-L127 HydrophobicContact CD1-CD2 3.75Å; I89-L156 HydrophobicContact CG2-CD2 3.52Å; I89-W161 HydrophobicContact CG2-CZ3 4.08Å | ||
| 90 | D | 92.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | trans | -79.7 | 83.8 | 175.6 | -65.9 | -26 | 0 | 0 | 0 | 110.9 | L93 | D90-L93 HydrophobicContact CB-CD1 4.38Å; D90-L93 HydrophobicContact CB-CD2 4Å; D90-L93 HydrophobicContact CB-CG 4.19Å | ||
| 91 | F | 93.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -73.9 | -40.8 | 170.9 | -82.7 | -104.2 | 0 | 0 | 0 | 112 | V75 I89 F115 L127 A129 L154 L156 A163 | V75-F91 HydrophobicContact CB-CE2 3.92Å; V75-F91 HydrophobicContact CG1-CE2 4.26Å; V75-F91 HydrophobicContact CG2-CE2 4.27Å; I89-F91 HydrophobicContact CB-CD2 3.95Å; I89-F91 HydrophobicContact CB-CE2 3.85Å; I89-F91 HydrophobicContact CD1-CE2 4.13Å; I89-F91 HydrophobicContact CG2-CD2 3.62Å; I89-F91 HydrophobicContact CG2-CE2 3.59Å; I89-F91 PolarHBondContact O-N 2.91Å; F91-F115 HydrophobicContact CB-CE1 4Å; F91-F115 HydrophobicContact CB-CZ 3.75Å; F91-F115 AromaticContact CD1-CZ 3.81Å; F91-F115 HydrophobicContact CD1-CZ 3.81Å; F91-F115 AromaticContact CD2-CE1 3.91Å; F91-F115 HydrophobicContact CD2-CE1 3.91Å; F91-F115 AromaticContact CD2-CZ 3.86Å; F91-F115 HydrophobicContact CD2-CZ 3.86Å; F91-F115 HydrophobicContact CE1-CZ 4.29Å; F91-F115 HydrophobicContact CE2-CZ 4.37Å; F91-F115 AromaticContact CG-CE1 3.96Å; F91-F115 HydrophobicContact CG-CE1 3.96Å; F91-F115 AromaticContact CG-CZ 3.55Å; F91-F115 HydrophobicContact CG-CZ 3.55Å; F91-L127 HydrophobicContact CE2-CD2 4.35Å; F91-L127 HydrophobicContact CZ-CD2 3.88Å; F91-L127 HydrophobicContact CZ-CG 4.12Å; F91-A129 HydrophobicContact CE1-CB 4Å; F91-A129 HydrophobicContact CE2-CB 4.44Å; F91-A129 HydrophobicContact CZ-CB 3.88Å; F91-L154 HydrophobicContact CB-CD1 3.8Å; F91-L154 HydrophobicContact CD1-CB 3.69Å; F91-L154 HydrophobicContact CD1-CD1 4.42Å; F91-L154 HydrophobicContact CE1-CB 4.35Å; F91-L156 HydrophobicContact CD1-CB 3.74Å; F91-L156 HydrophobicContact CE1-CB 3.34Å; F91-L156 HydrophobicContact CE1-CD2 4.26Å; F91-L156 HydrophobicContact CE1-CG 4.36Å; F91-L156 HydrophobicContact CE2-CD2 4.13Å; F91-L156 HydrophobicContact CZ-CB 3.85Å; F91-L156 HydrophobicContact CZ-CD2 3.99Å; F91-A163 HydrophobicContact CD1-CB 4.25Å; F91-A163 VanDerWaalsContact O-CB 3.24Å; F91-A163 WeakPolarHBondContact O-CB 3.21Å |
| 92 | D | 92.1 | Very high | 89 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 25% | 0.246 | 41% | 0.412 | C | S | . | . | trans | -154.3 | 123.2 | -175.2 | 176.7 | 17.7 | 0 | 0 | 0 | 109.6 | Q66 T94 K110 L154 | Q66-D92 WeakPolarHBondContact CG-O 3.48Å; Q66-D92 PolarHBondContact NE2-O 3.36Å; D92-T94 PolarHBondContact OD1-N 2.92Å; D92-T94 PolarHBondContact OD1-OG1 2.81Å; D92-K110 IonicContact OD1-NZ 3.61Å; D92-K110 WeakPolarHBondContact OD2-CE 3.48Å; D92-K110 IonicContact OD2-NZ 3.29Å; D92-K110 PolarHBondContact OD2-NZ 3Å; D92-L154 HydrophobicContact CB-CD1 3.93Å | ||
| 93 | L | 92 | Very high | 89.9 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | trans | -105.3 | -2.1 | -179.1 | -64.9 | 178.2 | 0 | 0 | 0 | 112.6 | S65 P67 D90 | S65-L93 WeakPolarHBondContact OG-CD2 3.42Å; P67-L93 WeakPolarHBondContact CD-O 3.45Å; D90-L93 HydrophobicContact CB-CD1 4.38Å; D90-L93 HydrophobicContact CB-CD2 4Å; D90-L93 HydrophobicContact CB-CG 4.19Å | ||
| 94 | T | 93.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 63.5 Ų | 63.5 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | trans | -83.8 | 148.7 | 179.6 | 71.9 | 0 | 0 | 0 | 0 | 110.4 | Q66 D92 E97 K110 | Q66-T94 PolarHBondContact NE2-O 2.84Å; D92-T94 PolarHBondContact OD1-N 2.92Å; D92-T94 PolarHBondContact OD1-OG1 2.81Å; T94-E97 PolarHBondContact OG1-OE1 3.37Å; T94-K110 PolarHBondContact O-NZ 2.86Å; T94-K110 PolarHBondContact OG1-NZ 2.98Å | ||
| 95 | G | 93.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 70 Ų | 70 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | trans | -77.6 | -152.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | P67 K110 | P67-G95 WeakPolarHBondContact O-CA 3.42Å; G95-K110 WeakPolarHBondContact O-CD 3.32Å; G95-K110 WeakPolarHBondContact O-CE 3.46Å; G95-K110 PolarHBondContact O-NZ 2.84Å | ||
| 96 | D | 94.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 68 Ų | 68 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -58.9 | 139.2 | 169 | -72.5 | -2.1 | 0 | 0 | 0 | 110.3 | S108 F109 K110 | D96-S108 WeakPolarHBondContact CA-O 3.36Å; D96-S108 VanDerWaalsContact CB-O 3.31Å; D96-S108 WeakPolarHBondContact CB-O 3.35Å; D96-F109 WeakPolarHBondContact OD1-CA 3.33Å; D96-K110 PolarHBondContact OD1-N 2.78Å |
| 97 | E | 92.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 29% | 0.29 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.7 | -173.7 | -65.8 | 174.5 | 174.5 | 0 | 0 | 110.9 | T94 H99 H107 S108 K110 | T94-E97 PolarHBondContact OG1-OE1 3.37Å; E97-H99 IonicContact OE2-NE2 3.87Å; E97-H107 WeakPolarHBondContact O-CA 3.35Å; E97-S108 PolarHBondContact N-O 3.06Å; E97-S108 PolarHBondContact O-N 3.13Å; E97-K110 IonicContact OE1-NZ 3.63Å; E97-K110 PolarHBondContact OE1-NZ 3.35Å |
| 98 | E | 92.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 62.9 Ų | 62.9 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.4 | 172.5 | -174.5 | 176.5 | 167 | 0 | 0 | 110.2 | F106 H107 | E98-F106 VanDerWaalsContact CA-O 3.31Å; E98-F106 WeakPolarHBondContact CA-O 3.34Å; E98-H107 IonicContact OE1-CE1 3.96Å; E98-H107 IonicContact OE2-CE1 2.82Å |
| 99 | H | 90.2 | Very high | 92.5 | Very high | 89 Ų | 89 | 61.7 Ų | 61.7 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.8 | 176.5 | -66 | -83.3 | 0 | 0 | 0 | 110.2 | E97 R105 F106 P235 | E97-H99 IonicContact OE2-NE2 3.87Å; H99-R105 CarbonylContact O-C 3.51Å; H99-R105 WeakPolarHBondContact O-CA 3.1Å; H99-F106 HydrophobicContact CB-CB 4.37Å; H99-F106 PolarHBondContact N-O 2.79Å; H99-F106 WeakPolarHBondContact O-CD2 3.45Å; H99-F106 PolarHBondContact O-N 3.45Å; H99-P235 HydrophobicContact CB-CB 4.25Å |
| 100 | S | 89.9 | Confident | 92.6 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.1 | 174.6 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | L104 | S100-L104 CarbonylContact C-O 3.46Å; S100-L104 WeakPolarHBondContact CA-O 3.5Å |
| 101 | L | 87.5 | Confident | 92.8 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 129.2 | 177.9 | -172.3 | 71.1 | 0 | 0 | 0 | 110.2 | G103 L104 F106 | L101-G103 PolarHBondContact O-N 2.8Å; L101-G103 VanDerWaalsContact O-N 3.16Å; L101-L104 PolarHBondContact N-O 3.17Å; L101-L104 WeakPolarHBondContact O-CB 3.35Å; L101-L104 PolarHBondContact O-N 2.76Å; L101-F106 HydrophobicContact CB-CE2 3.92Å |
| 102 | S | 86.1 | Confident | 93 | Very high | 113 Ų | 113 | 59.7 Ų | 59.7 | 79% | 0.79 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.4 | 175.4 | -57 | 0 | 0 | 0 | 0 | 115.2 | L104 | S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.8Å |
| 103 | G | 87.8 | Confident | 93.3 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L101 | L101-G103 PolarHBondContact O-N 2.8Å; L101-G103 VanDerWaalsContact O-N 3.16Å |
| 104 | L | 92.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 140 | 170.2 | -58.8 | 175.3 | 0 | 0 | 0 | 109.8 | S100 L101 S102 F106 V138 N139 Q140 M174 | S100-L104 CarbonylContact C-O 3.46Å; S100-L104 WeakPolarHBondContact CA-O 3.5Å; L101-L104 PolarHBondContact N-O 3.17Å; L101-L104 WeakPolarHBondContact O-CB 3.35Å; L101-L104 PolarHBondContact O-N 2.76Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 2.8Å; L104-F106 HydrophobicContact CB-CD2 4.46Å; L104-F106 HydrophobicContact CB-CE1 4.42Å; L104-F106 HydrophobicContact CB-CE2 3.65Å; L104-F106 HydrophobicContact CB-CZ 3.65Å; L104-F106 HydrophobicContact CD1-CE1 4.43Å; L104-F106 HydrophobicContact CD1-CZ 3.8Å; L104-F106 HydrophobicContact CG-CZ 4.38Å; L104-V138 HydrophobicContact CB-CG1 4.08Å; L104-V138 HydrophobicContact CD2-CG1 4.26Å; L104-N139 WeakPolarHBondContact CA-O 3.42Å; L104-Q140 HydrophobicContact CD2-CB 3.71Å; L104-Q140 HydrophobicContact CD2-CG 3.87Å; L104-M174 HydrophobicContact CD2-CE 3.64Å |
| 105 | R | 94.1 | Very high | 93.8 | Very high | 145 Ų | 145 | 54.6 Ų | 54.6 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.4 | 168.7 | -59.6 | -172.9 | -170.9 | 156.2 | 4 | 109 | H99 V138 N139 | H99-R105 CarbonylContact O-C 3.51Å; H99-R105 WeakPolarHBondContact O-CA 3.1Å; R105-V138 CarbonylContact O-C 3.6Å; R105-V138 VanDerWaalsContact O-CA 3.28Å; R105-V138 WeakPolarHBondContact O-CA 3.32Å; R105-N139 HydrophobicContact CB-CB 4.39Å; R105-N139 PolarHBondContact N-O 2.86Å; R105-N139 PolarHBondContact O-N 2.86Å |
| 106 | F | 94.6 | Very high | 94 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130 | -176.9 | -59 | -85.5 | 0 | 0 | 0 | 108.7 | E98 H99 L101 L104 W136 V138 T172 P235 I236 | E98-F106 VanDerWaalsContact CA-O 3.31Å; E98-F106 WeakPolarHBondContact CA-O 3.34Å; H99-F106 HydrophobicContact CB-CB 4.37Å; H99-F106 PolarHBondContact N-O 2.79Å; H99-F106 WeakPolarHBondContact O-CD2 3.45Å; H99-F106 PolarHBondContact O-N 3.45Å; L101-F106 HydrophobicContact CB-CE2 3.92Å; L104-F106 HydrophobicContact CB-CD2 4.46Å; L104-F106 HydrophobicContact CB-CE1 4.42Å; L104-F106 HydrophobicContact CB-CE2 3.65Å; L104-F106 HydrophobicContact CB-CZ 3.65Å; L104-F106 HydrophobicContact CD1-CE1 4.43Å; L104-F106 HydrophobicContact CD1-CZ 3.8Å; L104-F106 HydrophobicContact CG-CZ 4.38Å; F106-W136 HydrophobicContact CB-CH2 3.71Å; F106-W136 HydrophobicContact CB-CZ2 4.33Å; F106-W136 HydrophobicContact CB-CZ3 4.17Å; F106-W136 AromaticContact CD1-CH2 3.5Å; F106-W136 HydrophobicContact CD1-CH2 3.5Å; F106-W136 VanDerWaalsContact CD1-CH2 3.5Å; F106-W136 AromaticContact CD1-CZ2 3.4Å; F106-W136 HydrophobicContact CD1-CZ2 3.4Å; F106-W136 HydrophobicContact CE1-CH2 4.47Å; F106-W136 HydrophobicContact CE1-CZ2 4.14Å; F106-W136 AromaticContact CG-CH2 3.98Å; F106-W136 HydrophobicContact CG-CH2 3.98Å; F106-W136 HydrophobicContact CG-CZ2 4.3Å; F106-V138 HydrophobicContact CD1-CB 4.42Å; F106-V138 HydrophobicContact CD1-CG1 3.93Å; F106-V138 HydrophobicContact CD1-CG2 3.69Å; F106-V138 HydrophobicContact CE1-CG1 3.86Å; F106-V138 HydrophobicContact CE1-CG2 4.02Å; F106-V138 HydrophobicContact CZ-CG1 4.48Å; F106-T172 HydrophobicContact CE1-CG2 4.04Å; F106-P235 HydrophobicContact CB-CB 4.06Å; F106-P235 HydrophobicContact CD1-CB 4.29Å; F106-P235 HydrophobicContact CD1-CG 4.15Å; F106-P235 HydrophobicContact CD2-CB 4.1Å; F106-P235 HydrophobicContact CD2-CG 3.62Å; F106-P235 HydrophobicContact CE1-CG 4.25Å; F106-P235 HydrophobicContact CE2-CG 3.78Å; F106-P235 HydrophobicContact CG-CB 3.88Å; F106-P235 HydrophobicContact CG-CG 3.82Å; F106-P235 HydrophobicContact CZ-CG 4.07Å; F106-I236 HydrophobicContact CE1-CD1 4.32Å |
| 107 | H | 95.3 | Very high | 94.2 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 19% | 0.185 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.6 | -179.6 | -61.9 | -84 | 0 | 0 | 0 | 110.6 | E97 E98 F109 N137 N139 | E97-H107 WeakPolarHBondContact O-CA 3.35Å; E98-H107 IonicContact OE1-CE1 3.96Å; E98-H107 IonicContact OE2-CE1 2.82Å; H107-F109 HydrophobicContact CB-CE2 3.73Å; H107-F109 HydrophobicContact CB-CZ 3.76Å; H107-N137 HydrophobicContact CB-CB 4.32Å; H107-N137 PolarHBondContact N-O 2.87Å; H107-N137 PolarHBondContact O-N 3.33Å; H107-N139 PolarHBondContact CD2-OD1 3.27Å; H107-N139 VanDerWaalsContact CD2-OD1 3.22Å |
| 108 | S | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.3 | 173.8 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | D96 E97 | D96-S108 WeakPolarHBondContact CA-O 3.36Å; D96-S108 VanDerWaalsContact CB-O 3.31Å; D96-S108 WeakPolarHBondContact CB-O 3.35Å; E97-S108 PolarHBondContact N-O 3.06Å; E97-S108 PolarHBondContact O-N 3.13Å |
| 109 | F | 97 | Very high | 94.7 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 20% | 0.197 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.3 | 178.2 | -50.2 | -92.1 | 0 | 0 | 0 | 110.5 | D96 H107 H135 N137 K147 | D96-F109 WeakPolarHBondContact OD1-CA 3.33Å; H107-F109 HydrophobicContact CB-CE2 3.73Å; H107-F109 HydrophobicContact CB-CZ 3.76Å; F109-H135 HydrophobicContact CB-CB 4.08Å; F109-H135 HydrophobicContact CD2-CB 4.16Å; F109-H135 PolarHBondContact N-O 3.15Å; F109-H135 PolarHBondContact O-N 2.9Å; F109-N137 HydrophobicContact CE2-CB 3.93Å; F109-K147 HydrophobicContact CD1-CD 4.41Å; F109-K147 HydrophobicContact CD2-CD 3.87Å; F109-K147 HydrophobicContact CD2-CG 3.88Å; F109-K147 HydrophobicContact CE1-CD 4.38Å; F109-K147 HydrophobicContact CE2-CB 4.43Å; F109-K147 HydrophobicContact CE2-CD 3.86Å; F109-K147 HydrophobicContact CE2-CG 3.83Å; F109-K147 HydrophobicContact CG-CD 4.15Å; F109-K147 VanDerWaalsContact CG-CE 3.49Å; F109-K147 HydrophobicContact CZ-CD 4.11Å |
| 110 | K | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | trans | -105.3 | -15.5 | -172.6 | -61.2 | -177.8 | -170.5 | 172.8 | 0 | 113.3 | V69 D92 T94 G95 D96 E97 G112 Q113 F134 | V69-K110 HydrophobicContact CG1-CB 4Å; V69-K110 HydrophobicContact CG2-CB 3.92Å; D92-K110 IonicContact OD1-NZ 3.61Å; D92-K110 WeakPolarHBondContact OD2-CE 3.48Å; D92-K110 IonicContact OD2-NZ 3.29Å; D92-K110 PolarHBondContact OD2-NZ 3Å; T94-K110 PolarHBondContact O-NZ 2.86Å; T94-K110 PolarHBondContact OG1-NZ 2.98Å; G95-K110 WeakPolarHBondContact O-CD 3.32Å; G95-K110 WeakPolarHBondContact O-CE 3.46Å; G95-K110 PolarHBondContact O-NZ 2.84Å; D96-K110 PolarHBondContact OD1-N 2.78Å; E97-K110 IonicContact OE1-NZ 3.63Å; E97-K110 PolarHBondContact OE1-NZ 3.35Å; K110-G112 PolarHBondContact O-N 2.77Å; K110-Q113 VanDerWaalsContact O-CB 3.29Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 VanDerWaalsContact O-CD 3.3Å; K110-Q113 WeakPolarHBondContact O-CG 3.45Å; K110-Q113 PolarHBondContact O-N 2.8Å; K110-F134 HydrophobicContact CG-CD2 4.38Å; K110-F134 HydrophobicContact CG-CE2 4.03Å | ||
| 111 | S | 97.7 | Very high | 95.2 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 126.9 | 175.8 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | V69 T70 Q113 | V69-S111 WeakPolarHBondContact CA-OG 3.48Å; T70-S111 PolarHBondContact N-OG 2.89Å; T70-S111 VanDerWaalsContact N-OG 3.09Å; T70-S111 CarbonylContact O-C 3.57Å; T70-S111 WeakPolarHBondContact O-CA 3.24Å; S111-Q113 VanDerWaalsContact C-N 3.25Å; S111-Q113 PolarHBondContact O-N 2.8Å |
| 112 | G | 97.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 20.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T70 E71 K110 W114 | T70-G112 PolarHBondContact O-N 3.05Å; E71-G112 WeakPolarHBondContact O-CA 3.34Å; E71-G112 PolarHBondContact O-N 2.82Å; K110-G112 PolarHBondContact O-N 2.77Å; G112-W114 PolarHBondContact O-N 3.19Å |
| 113 | Q | 97.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | trans | -72.6 | -11 | -175.8 | 69.4 | -175.5 | -22.7 | 0 | 0 | 114.7 | G72 K110 S111 F115 A131 L133 F134 | G72-Q113 WeakPolarHBondContact O-CG 3.39Å; G72-Q113 PolarHBondContact O-NE2 3.32Å; K110-Q113 VanDerWaalsContact O-CB 3.29Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 VanDerWaalsContact O-CD 3.3Å; K110-Q113 WeakPolarHBondContact O-CG 3.45Å; K110-Q113 PolarHBondContact O-N 2.8Å; S111-Q113 VanDerWaalsContact C-N 3.25Å; S111-Q113 PolarHBondContact O-N 2.8Å; Q113-F115 HydrophobicContact CG-CB 4.09Å; Q113-A131 HydrophobicContact CB-CB 4.06Å; Q113-A131 HydrophobicContact CG-CB 3.86Å; Q113-A131 CarbonylContact O-C 3.49Å; Q113-A131 WeakPolarHBondContact O-CA 3.28Å; Q113-A131 WeakPolarHBondContact O-CB 3.27Å; Q113-L133 WeakPolarHBondContact CA-O 3.49Å; Q113-L133 CarbonylContact O-C 3.51Å; Q113-L133 WeakPolarHBondContact O-CA 3.24Å; Q113-L133 PolarHBondContact O-N 2.76Å; Q113-L133 VanDerWaalsContact O-N 3.09Å; Q113-F134 HydrophobicContact CB-CB 4.15Å; Q113-F134 PolarHBondContact O-N 2.78Å | ||
| 114 | W | 98.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 27% | 0.265 | 17% | 0.172 | S | C | . | . | trans | 62.2 | 42 | -177.8 | -80.7 | 49 | 0 | 0 | 0 | 114.1 | L39 F42 P60 G112 G116 A117 L133 | L39-W114 HydrophobicContact CD1-CH2 4.05Å; L39-W114 HydrophobicContact CD1-CZ2 4.23Å; F42-W114 HydrophobicContact CE1-CZ3 4.41Å; F42-W114 AromaticContact CE2-CZ3 3.92Å; F42-W114 HydrophobicContact CE2-CZ3 3.92Å; F42-W114 AromaticContact CZ-CZ3 3.83Å; F42-W114 HydrophobicContact CZ-CZ3 3.83Å; P60-W114 HydrophobicContact CB-CB 4Å; P60-W114 HydrophobicContact CB-CD2 3.86Å; P60-W114 HydrophobicContact CB-CE3 3.77Å; P60-W114 HydrophobicContact CB-CG 3.97Å; P60-W114 HydrophobicContact CG-CE3 4.28Å; P60-W114 WeakPolarHBondContact O-CA 3.42Å; G112-W114 PolarHBondContact O-N 3.19Å; W114-G116 PolarHBondContact O-N 2.92Å; W114-A117 HydrophobicContact CB-CB 4.32Å; W114-A117 HydrophobicContact CE3-CB 4.29Å; W114-A117 VanDerWaalsContact O-CB 3.28Å; W114-A117 WeakPolarHBondContact O-CB 3.15Å; W114-A117 PolarHBondContact O-N 3.14Å; W114-A117 VanDerWaalsContact O-N 3.1Å; W114-L133 HydrophobicContact CB-CB 4.44Å; W114-L133 HydrophobicContact CB-CD1 4.43Å; W114-L133 HydrophobicContact CB-CG 4.45Å; W114-L133 HydrophobicContact CD2-CD1 4.24Å; W114-L133 HydrophobicContact CG-CD1 3.9Å; W114-L133 HydrophobicContact CG-CG 4.42Å | ||
| 115 | F | 98.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.057 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 127.5 | 177 | -175.8 | -109.8 | 0 | 0 | 0 | 111.4 | P60 G72 G73 G74 V75 F91 Q113 A129 A131 L154 | P60-F115 WeakPolarHBondContact CA-O 3.38Å; G72-F115 WeakPolarHBondContact O-CB 3.37Å; G72-F115 PolarHBondContact O-N 2.95Å; G73-F115 CarbonylContact C-O 3.57Å; G73-F115 VanDerWaalsContact C-O 3.25Å; G73-F115 VanDerWaalsContact CA-O 3.25Å; G73-F115 WeakPolarHBondContact CA-O 3.5Å; G74-F115 PolarHBondContact N-O 3Å; G74-F115 VanDerWaalsContact N-O 3.09Å; V75-F115 HydrophobicContact CG2-CD1 4.35Å; V75-F115 HydrophobicContact CG2-CE1 3.85Å; V75-F115 HydrophobicContact CG2-CZ 4.3Å; F91-F115 HydrophobicContact CB-CE1 4Å; F91-F115 HydrophobicContact CB-CZ 3.75Å; F91-F115 AromaticContact CD1-CZ 3.81Å; F91-F115 HydrophobicContact CD1-CZ 3.81Å; F91-F115 AromaticContact CD2-CE1 3.91Å; F91-F115 HydrophobicContact CD2-CE1 3.91Å; F91-F115 AromaticContact CD2-CZ 3.86Å; F91-F115 HydrophobicContact CD2-CZ 3.86Å; F91-F115 HydrophobicContact CE1-CZ 4.29Å; F91-F115 HydrophobicContact CE2-CZ 4.37Å; F91-F115 AromaticContact CG-CE1 3.96Å; F91-F115 HydrophobicContact CG-CE1 3.96Å; F91-F115 AromaticContact CG-CZ 3.55Å; F91-F115 HydrophobicContact CG-CZ 3.55Å; Q113-F115 HydrophobicContact CG-CB 4.09Å; F115-A129 HydrophobicContact CE1-CB 4.3Å; F115-A129 HydrophobicContact CE2-CB 3.68Å; F115-A129 HydrophobicContact CZ-CB 3.51Å; F115-A131 HydrophobicContact CB-CB 3.93Å; F115-A131 HydrophobicContact CD2-CB 3.99Å; F115-A131 HydrophobicContact CG-CB 4.47Å; F115-L154 HydrophobicContact CE2-CB 4.05Å; F115-L154 HydrophobicContact CE2-CD1 3.75Å; F115-L154 HydrophobicContact CE2-CG 3.93Å; F115-L154 HydrophobicContact CZ-CB 4.32Å; F115-L154 HydrophobicContact CZ-CD1 3.93Å; F115-L154 HydrophobicContact CZ-CG 4.43Å |
| 116 | G | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 9.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S43 G58 W114 S118 C130 | S43-G116 PolarHBondContact OG-O 3.01Å; G58-G116 WeakPolarHBondContact CA-O 3.48Å; W114-G116 PolarHBondContact O-N 2.92Å; G116-S118 PolarHBondContact O-N 3.02Å; G116-C130 PolarHBondContact N-O 3.26Å |
| 117 | A | 98.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -65 | -29.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F42 S43 P60 W114 C130 P132 | F42-A117 HydrophobicContact CD1-CB 4.36Å; F42-A117 WeakPolarHBondContact CD1-O 3.46Å; F42-A117 HydrophobicContact CE1-CB 4.1Å; F42-A117 WeakPolarHBondContact CE1-O 3.18Å; S43-A117 WeakPolarHBondContact CB-O 3.29Å; P60-A117 HydrophobicContact CB-CB 4.49Å; P60-A117 HydrophobicContact CG-CB 4.15Å; W114-A117 HydrophobicContact CB-CB 4.32Å; W114-A117 HydrophobicContact CE3-CB 4.29Å; W114-A117 VanDerWaalsContact O-CB 3.28Å; W114-A117 WeakPolarHBondContact O-CB 3.15Å; W114-A117 PolarHBondContact O-N 3.14Å; W114-A117 VanDerWaalsContact O-N 3.1Å; A117-C130 PolarHBondContact N-O 3.22Å; A117-P132 HydrophobicContact CB-CG 3.85Å |
| 118 | S | 98.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.1 | 166.5 | 68.2 | 0 | 0 | 0 | 0 | 110 | G116 A129 C130 G193 | G116-S118 PolarHBondContact O-N 3.02Å; S118-A129 WeakPolarHBondContact O-CA 3.49Å; S118-C130 PolarHBondContact O-N 3.27Å; S118-C130 WeakPolarHBondContact OG-CB 3.35Å; S118-G193 WeakPolarHBondContact CB-O 3.41Å; S118-G193 PolarHBondContact OG-O 2.81Å |
| 119 | V | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138 | 177 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | S43 D45 V56 V75 L128 A129 | S43-V119 WeakPolarHBondContact OG-CG2 3.46Å; D45-V119 HydrophobicContact CB-CG2 4.26Å; V56-V119 HydrophobicContact CG1-CB 4.31Å; V56-V119 HydrophobicContact CG1-CG1 4.48Å; V56-V119 HydrophobicContact CG1-CG2 4.32Å; V75-V119 HydrophobicContact CG1-CG1 4.12Å; V75-V119 HydrophobicContact CG2-CG1 3.92Å; V119-L128 WeakPolarHBondContact CA-O 3.5Å; V119-A129 HydrophobicContact CG1-CB 4.23Å |
| 120 | R | 95.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 25 Ų | 25 | 21% | 0.211 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 128.4 | 175.6 | -70.2 | -64.8 | 173.3 | -114.2 | 7.3 | 111.4 | D45 V122 L128 A196 | D45-R120 WeakPolarHBondContact OD2-CA 3.4Å; R120-V122 PolarHBondContact O-N 2.96Å; R120-L128 HydrophobicContact CB-CB 4.46Å; R120-L128 PolarHBondContact N-O 3.32Å; R120-L128 PolarHBondContact O-N 3.07Å; R120-A196 HydrophobicContact CG-CB 4.08Å; R120-A196 PolarHBondContact NE-O 2.81Å; R120-A196 PolarHBondContact NH2-O 2.77Å |
| 121 | S | 93.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 17% | 0.168 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 113.6 | 166.7 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | D45 F46 H47 | D45-S121 PolarHBondContact OD2-N 3.44Å; F46-S121 WeakPolarHBondContact O-CB 3.46Å; F46-S121 PolarHBondContact O-OG 3.21Å; H47-S121 PolarHBondContact ND1-OG 3.45Å |
| 122 | V | 90.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 13% | 0.133 | 13% | 0.126 | C | C | . | . | trans | -85.3 | -41.9 | -175 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | R120 Y126 L128 L155 I198 L204 V223 | R120-V122 PolarHBondContact O-N 2.96Å; V122-Y126 WeakPolarHBondContact CB-O 3.4Å; V122-Y126 PolarHBondContact N-O 2.82Å; V122-L128 HydrophobicContact CG2-CB 3.79Å; V122-L155 HydrophobicContact CG2-CD1 3.88Å; V122-I198 HydrophobicContact CB-CD1 3.82Å; V122-I198 HydrophobicContact CG1-CD1 3.39Å; V122-I198 HydrophobicContact CG2-CD1 4.12Å; V122-L204 HydrophobicContact CG2-CD2 4.08Å; V122-V223 HydrophobicContact CG1-CB 4.33Å; V122-V223 HydrophobicContact CG1-CG1 3.95Å; V122-V223 HydrophobicContact CG1-CG2 3.51Å | ||
| 123 | S | 88.9 | Confident | 95.7 | Very high | 46 Ų | 46 | 24.4 Ų | 24.4 | 32% | 0.322 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -158.3 | -176.4 | 175.6 | 73.3 | 0 | 0 | 0 | 0 | 109 | H47 R125 Y126 | H47-S123 PolarHBondContact CE1-O 2.76Å; S123-R125 PolarHBondContact O-N 2.76Å; S123-R125 PolarHBondContact OG-N 2.96Å; S123-R125 VanDerWaalsContact OG-N 3.15Å; S123-Y126 PolarHBondContact N-O 3.43Å; S123-Y126 WeakPolarHBondContact OG-CD2 3.36Å; S123-Y126 PolarHBondContact OG-N 2.82Å |
| 124 | S | 86.7 | Confident | 95.7 | Very high | 74 Ų | 74 | 24.2 Ų | 24.2 | 52% | 0.517 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -68.9 | 3.8 | 173 | 59.5 | 0 | 0 | 0 | 0 | 115 | S48 F49 | S48-S124 CarbonylContact O-C 3.1Å; S48-S124 WeakPolarHBondContact O-CA 3.36Å; S48-S124 WeakPolarHBondContact O-CB 3.39Å; S48-S124 VanDerWaalsContact O-O 3.13Å; F49-S124 WeakPolarHBondContact CD2-O 3.49Å |
| 125 | R | 89.9 | Confident | 95.7 | Very high | 81 Ų | 81 | 23.2 Ų | 23.2 | 31% | 0.306 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -124.9 | -33.3 | 179.3 | 174.7 | 175.2 | 178.7 | 179.8 | -2.3 | 112.7 | S123 D157 Q158 M159 | S123-R125 PolarHBondContact O-N 2.76Å; S123-R125 PolarHBondContact OG-N 2.96Å; S123-R125 VanDerWaalsContact OG-N 3.15Å; R125-D157 WeakPolarHBondContact CG-OD1 3.4Å; R125-D157 IonicContact CZ-OD1 2.8Å; R125-D157 IonicContact CZ-OD2 2.82Å; R125-D157 VanDerWaalsContact CZ-OD2 3.25Å; R125-D157 VanDerWaalsContact NE-CG 3.31Å; R125-D157 IonicContact NE-OD1 3.09Å; R125-D157 PolarHBondContact NE-OD1 2.8Å; R125-D157 IonicContact NE-OD2 2.66Å; R125-D157 PolarHBondContact NE-OD2 3.49Å; R125-D157 VanDerWaalsContact NE-OD2 3.1Å; R125-D157 IonicContact NH2-OD1 3.34Å; R125-D157 IonicContact NH2-OD2 3.92Å; R125-D157 PolarHBondContact NH2-OD2 2.89Å; R125-Q158 PolarHBondContact O-N 2.91Å; R125-M159 HydrophobicContact CG-CG 4.16Å; R125-M159 HydrophobicContact CG-SD 4.47Å |
| 126 | Y | 92.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 22.8 Ų | 22.8 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.3 | -170.7 | -64.1 | -67.9 | 0 | 0 | 0 | 111.6 | V122 S123 L155 L156 D157 I227 | V122-Y126 WeakPolarHBondContact CB-O 3.4Å; V122-Y126 PolarHBondContact N-O 2.82Å; S123-Y126 PolarHBondContact N-O 3.43Å; S123-Y126 WeakPolarHBondContact OG-CD2 3.36Å; S123-Y126 PolarHBondContact OG-N 2.82Å; Y126-L155 HydrophobicContact CD1-CD2 4.44Å; Y126-L155 HydrophobicContact CD1-CG 4.37Å; Y126-L156 VanDerWaalsContact CA-O 3.31Å; Y126-L156 WeakPolarHBondContact CA-O 3.43Å; Y126-D157 HydrophobicContact CD1-CB 4.05Å; Y126-D157 HydrophobicContact CE1-CB 3.66Å; Y126-D157 WeakPolarHBondContact CE1-OD2 3.27Å; Y126-D157 PolarHBondContact OH-OD2 2.97Å; Y126-I227 HydrophobicContact CD1-CD1 4.49Å; Y126-I227 HydrophobicContact CD2-CD1 4.49Å; Y126-I227 HydrophobicContact CE1-CD1 3.82Å; Y126-I227 HydrophobicContact CE1-CG1 4.4Å; Y126-I227 HydrophobicContact CE2-CD1 3.84Å; Y126-I227 VanDerWaalsContact CZ-CD1 3.48Å |
| 127 | L | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.9 | 176.1 | -176.3 | 66.5 | 0 | 0 | 0 | 109.3 | V56 I89 F91 L156 | V56-L127 HydrophobicContact CG1-CD1 4.21Å; V56-L127 HydrophobicContact CG1-CD2 4.07Å; V56-L127 HydrophobicContact CG2-CD1 4.05Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å; I89-L127 HydrophobicContact CD1-CD2 3.75Å; F91-L127 HydrophobicContact CE2-CD2 4.35Å; F91-L127 HydrophobicContact CZ-CD2 3.88Å; F91-L127 HydrophobicContact CZ-CG 4.12Å; L127-L156 HydrophobicContact CB-CB 4.5Å; L127-L156 PolarHBondContact N-O 2.86Å; L127-L156 PolarHBondContact O-N 3.1Å |
| 128 | L | 97.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.6 | 176.8 | -174.8 | 78 | 0 | 0 | 0 | 109.7 | V119 R120 V122 C153 L155 A196 L204 L206 | V119-L128 WeakPolarHBondContact CA-O 3.5Å; R120-L128 HydrophobicContact CB-CB 4.46Å; R120-L128 PolarHBondContact N-O 3.32Å; R120-L128 PolarHBondContact O-N 3.07Å; V122-L128 HydrophobicContact CG2-CB 3.79Å; L128-C153 HydrophobicContact CD1-CB 3.93Å; L128-L155 HydrophobicContact CB-CD1 4.34Å; L128-L155 HydrophobicContact CD1-CB 4.37Å; L128-L155 HydrophobicContact CD1-CD1 4.19Å; L128-A196 HydrophobicContact CD2-CB 4.34Å; L128-L204 HydrophobicContact CD1-CD1 4Å; L128-L204 HydrophobicContact CD2-CD1 4.02Å; L128-L204 HydrophobicContact CD2-CD2 4.01Å; L128-L206 HydrophobicContact CD2-CD2 4.11Å |
| 129 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | V75 F91 F115 S118 V119 C153 L154 | V75-A129 HydrophobicContact CG2-CB 3.61Å; F91-A129 HydrophobicContact CE1-CB 4Å; F91-A129 HydrophobicContact CE2-CB 4.44Å; F91-A129 HydrophobicContact CZ-CB 3.88Å; F115-A129 HydrophobicContact CE1-CB 4.3Å; F115-A129 HydrophobicContact CE2-CB 3.68Å; F115-A129 HydrophobicContact CZ-CB 3.51Å; S118-A129 WeakPolarHBondContact O-CA 3.49Å; V119-A129 HydrophobicContact CG1-CB 4.23Å; A129-C153 CarbonylContact O-C 3.58Å; A129-C153 WeakPolarHBondContact O-CA 3.24Å; A129-L154 PolarHBondContact N-O 2.78Å; A129-L154 PolarHBondContact O-N 3.03Å |
| 130 | C | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.4 | -177.6 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | G116 A117 S118 N152 C153 | G116-C130 PolarHBondContact N-O 3.26Å; A117-C130 PolarHBondContact N-O 3.22Å; S118-C130 PolarHBondContact O-N 3.27Å; S118-C130 WeakPolarHBondContact OG-CB 3.35Å; C130-N152 CarbonylContact C-O 3.41Å; C130-N152 WeakPolarHBondContact CA-O 2.91Å; C130-C153 HydrophobicContact CB-CB 4.04Å; C130-C153 WeakPolarHBondContact CB-SG 3.49Å; C130-C153 WeakPolarHBondContact SG-CB 3.38Å; C130-C153 CovalentContact SG-SG 2.05Å; C130-C153 PolarHBondContact SG-SG 2.88Å |
| 131 | A | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 87.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q113 F115 L133 F134 G151 N152 | Q113-A131 HydrophobicContact CB-CB 4.06Å; Q113-A131 HydrophobicContact CG-CB 3.86Å; Q113-A131 CarbonylContact O-C 3.49Å; Q113-A131 WeakPolarHBondContact O-CA 3.28Å; Q113-A131 WeakPolarHBondContact O-CB 3.27Å; F115-A131 HydrophobicContact CB-CB 3.93Å; F115-A131 HydrophobicContact CD2-CB 3.99Å; F115-A131 HydrophobicContact CG-CB 4.47Å; A131-L133 PolarHBondContact O-N 3Å; A131-F134 HydrophobicContact CB-CB 4.07Å; A131-F134 VanDerWaalsContact O-CB 3.3Å; A131-F134 WeakPolarHBondContact O-CB 3.18Å; A131-F134 PolarHBondContact O-N 3.18Å; A131-F134 VanDerWaalsContact O-N 3.17Å; A131-G151 WeakPolarHBondContact O-CA 3.21Å; A131-N152 PolarHBondContact N-O 3.22Å; A131-N152 PolarHBondContact O-N 2.77Å |
| 132 | P | 98.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.3 | -176.2 | -22.6 | 33.8 | 0 | 0 | 0 | 112.7 | A117 F134 G151 E191 F194 | A117-P132 HydrophobicContact CB-CG 3.85Å; P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.72Å; P132-G151 VanDerWaalsContact O-CA 3.31Å; P132-G151 WeakPolarHBondContact O-CA 3.2Å; P132-E191 HydrophobicContact CB-CB 4.36Å; P132-E191 WeakPolarHBondContact O-CA 3.4Å; P132-F194 HydrophobicContact CB-CB 4.45Å |
| 133 | L | 98.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.288 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 18.6 | 179.8 | -58.7 | -177.6 | 0 | 0 | 0 | 113 | Q113 W114 A131 H135 E191 | Q113-L133 WeakPolarHBondContact CA-O 3.49Å; Q113-L133 CarbonylContact O-C 3.51Å; Q113-L133 WeakPolarHBondContact O-CA 3.24Å; Q113-L133 PolarHBondContact O-N 2.76Å; Q113-L133 VanDerWaalsContact O-N 3.09Å; W114-L133 HydrophobicContact CB-CB 4.44Å; W114-L133 HydrophobicContact CB-CD1 4.43Å; W114-L133 HydrophobicContact CB-CG 4.45Å; W114-L133 HydrophobicContact CD2-CD1 4.24Å; W114-L133 HydrophobicContact CG-CD1 3.9Å; W114-L133 HydrophobicContact CG-CG 4.42Å; A131-L133 PolarHBondContact O-N 3Å; L133-H135 PolarHBondContact O-CE1 2.8Å; L133-H135 VanDerWaalsContact O-CE1 3.31Å; L133-H135 PolarHBondContact O-N 3.41Å; L133-H135 PolarHBondContact O-ND1 2.7Å; L133-E191 HydrophobicContact CD2-CG 4.45Å |
| 134 | F | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | trans | -62.8 | 123 | 170.9 | 173.1 | -90.3 | 0 | 0 | 0 | 110.3 | K110 Q113 A131 P132 W136 P149 V150 G151 N152 | K110-F134 HydrophobicContact CG-CD2 4.38Å; K110-F134 HydrophobicContact CG-CE2 4.03Å; Q113-F134 HydrophobicContact CB-CB 4.15Å; Q113-F134 PolarHBondContact O-N 2.78Å; A131-F134 HydrophobicContact CB-CB 4.07Å; A131-F134 VanDerWaalsContact O-CB 3.3Å; A131-F134 WeakPolarHBondContact O-CB 3.18Å; A131-F134 PolarHBondContact O-N 3.18Å; A131-F134 VanDerWaalsContact O-N 3.17Å; P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.72Å; F134-W136 HydrophobicContact CE1-CB 4.45Å; F134-P149 CarbonylContact O-C 3.6Å; F134-P149 WeakPolarHBondContact O-CA 3.26Å; F134-V150 HydrophobicContact CD1-CG2 3.94Å; F134-V150 HydrophobicContact CE1-CG2 4.25Å; F134-V150 PolarHBondContact O-N 2.94Å; F134-V150 VanDerWaalsContact O-N 3.14Å; F134-G151 PolarHBondContact O-N 3.35Å; F134-G151 VanDerWaalsContact O-N 3.14Å; F134-N152 HydrophobicContact CB-CB 3.8Å; F134-N152 HydrophobicContact CD1-CB 3.73Å; F134-N152 HydrophobicContact CD2-CB 4.18Å; F134-N152 HydrophobicContact CE1-CB 4.38Å; F134-N152 HydrophobicContact CG-CB 3.61Å | ||
| 135 | H | 97.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.4 | -176.2 | -71.3 | 75 | 0 | 0 | 0 | 112.4 | F109 L133 K147 T148 | F109-H135 HydrophobicContact CB-CB 4.08Å; F109-H135 HydrophobicContact CD2-CB 4.16Å; F109-H135 PolarHBondContact N-O 3.15Å; F109-H135 PolarHBondContact O-N 2.9Å; L133-H135 PolarHBondContact O-CE1 2.8Å; L133-H135 VanDerWaalsContact O-CE1 3.31Å; L133-H135 PolarHBondContact O-N 3.41Å; L133-H135 PolarHBondContact O-ND1 2.7Å; H135-K147 HydrophobicContact CB-CG 3.99Å; H135-T148 CarbonylContact C-O 3.55Å; H135-T148 VanDerWaalsContact CA-O 3.26Å; H135-T148 WeakPolarHBondContact CA-O 3.35Å |
| 136 | W | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.3 | -177.8 | 173.6 | -105.9 | 0 | 0 | 0 | 110.7 | F106 F134 V138 G146 K147 T148 V150 R170 G171 P235 I236 | F106-W136 HydrophobicContact CB-CH2 3.71Å; F106-W136 HydrophobicContact CB-CZ2 4.33Å; F106-W136 HydrophobicContact CB-CZ3 4.17Å; F106-W136 AromaticContact CD1-CH2 3.5Å; F106-W136 HydrophobicContact CD1-CH2 3.5Å; F106-W136 VanDerWaalsContact CD1-CH2 3.5Å; F106-W136 AromaticContact CD1-CZ2 3.4Å; F106-W136 HydrophobicContact CD1-CZ2 3.4Å; F106-W136 HydrophobicContact CE1-CH2 4.47Å; F106-W136 HydrophobicContact CE1-CZ2 4.14Å; F106-W136 AromaticContact CG-CH2 3.98Å; F106-W136 HydrophobicContact CG-CH2 3.98Å; F106-W136 HydrophobicContact CG-CZ2 4.3Å; F134-W136 HydrophobicContact CE1-CB 4.45Å; W136-V138 HydrophobicContact CZ2-CG2 3.72Å; W136-V138 VanDerWaalsContact NE1-CG2 3.33Å; W136-G146 VanDerWaalsContact O-O 3.12Å; W136-K147 WeakPolarHBondContact O-CA 3.47Å; W136-T148 PolarHBondContact N-O 3.08Å; W136-T148 PolarHBondContact O-N 2.02Å; W136-V150 HydrophobicContact CB-CB 4.35Å; W136-V150 HydrophobicContact CB-CG1 3.94Å; W136-V150 HydrophobicContact CB-CG2 3.44Å; W136-V150 VanDerWaalsContact CB-CG2 3.44Å; W136-V150 HydrophobicContact CG-CG1 4.4Å; W136-V150 HydrophobicContact CG-CG2 4.22Å; W136-R170 HydrophobicContact CD2-CB 4.4Å; W136-R170 HydrophobicContact CD2-CG 3.89Å; W136-R170 HydrophobicContact CE3-CG 4.26Å; W136-R170 HydrophobicContact CG-CG 4.09Å; W136-R170 HydrophobicContact CZ2-CB 4.21Å; W136-R170 HydrophobicContact CZ2-CG 4.39Å; W136-G171 PolarHBondContact NE1-O 2.86Å; W136-P235 HydrophobicContact CH2-CB 4.15Å; W136-I236 HydrophobicContact CH2-CG1 4.18Å; W136-I236 HydrophobicContact CZ2-CD1 4.04Å; W136-I236 HydrophobicContact CZ2-CG1 3.88Å |
| 137 | N | 96.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 149.2 | 169.4 | -164.6 | 15.5 | 0 | 0 | 0 | 110.5 | H107 F109 N139 E144 S145 G146 K147 | H107-N137 HydrophobicContact CB-CB 4.32Å; H107-N137 PolarHBondContact N-O 2.87Å; H107-N137 PolarHBondContact O-N 3.33Å; F109-N137 HydrophobicContact CE2-CB 3.93Å; N137-N139 PolarHBondContact ND2-OD1 2.87Å; N137-E144 PolarHBondContact ND2-OE2 3.02Å; N137-S145 PolarHBondContact OD1-OG 2.76Å; N137-G146 VanDerWaalsContact OD1-C 3.25Å; N137-G146 WeakPolarHBondContact OD1-CA 3.3Å; N137-G146 PolarHBondContact OD1-N 3.2Å; N137-G146 PolarHBondContact OD1-O 2.91Å; N137-K147 HydrophobicContact CB-CB 4.47Å |
| 138 | V | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.6 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | L104 R105 F106 W136 E144 S145 G171 M174 | L104-V138 HydrophobicContact CB-CG1 4.08Å; L104-V138 HydrophobicContact CD2-CG1 4.26Å; R105-V138 CarbonylContact O-C 3.6Å; R105-V138 VanDerWaalsContact O-CA 3.28Å; R105-V138 WeakPolarHBondContact O-CA 3.32Å; F106-V138 HydrophobicContact CD1-CB 4.42Å; F106-V138 HydrophobicContact CD1-CG1 3.93Å; F106-V138 HydrophobicContact CD1-CG2 3.69Å; F106-V138 HydrophobicContact CE1-CG1 3.86Å; F106-V138 HydrophobicContact CE1-CG2 4.02Å; F106-V138 HydrophobicContact CZ-CG1 4.48Å; W136-V138 HydrophobicContact CZ2-CG2 3.72Å; W136-V138 VanDerWaalsContact NE1-CG2 3.33Å; V138-E144 CarbonylContact O-C 3.16Å; V138-E144 VanDerWaalsContact O-CA 3.28Å; V138-E144 WeakPolarHBondContact O-CA 3.36Å; V138-S145 PolarHBondContact N-OG 3.34Å; V138-S145 PolarHBondContact O-N 3.2Å; V138-G171 WeakPolarHBondContact CG2-O 3.27Å; V138-M174 HydrophobicContact CB-CE 4.49Å; V138-M174 HydrophobicContact CG1-CE 4Å |
| 139 | N | 94.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 19% | 0.193 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140 | 179 | -62.6 | 77.5 | 0 | 0 | 0 | 110.4 | L104 R105 H107 N137 A143 E144 | L104-N139 WeakPolarHBondContact CA-O 3.42Å; R105-N139 HydrophobicContact CB-CB 4.39Å; R105-N139 PolarHBondContact N-O 2.86Å; R105-N139 PolarHBondContact O-N 2.86Å; H107-N139 PolarHBondContact CD2-OD1 3.27Å; H107-N139 VanDerWaalsContact CD2-OD1 3.22Å; N137-N139 PolarHBondContact ND2-OD1 2.87Å; N139-A143 WeakPolarHBondContact CA-O 3.49Å; N139-E144 VanDerWaalsContact ND2-CB 3.34Å; N139-E144 WeakPolarHBondContact ND2-CB 3.48Å; N139-E144 PolarHBondContact ND2-OE2 2.88Å |
| 140 | Q | 92.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 44.4 Ų | 44.4 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 105.4 | 170.7 | -169.1 | 176.9 | 34 | 0 | 0 | 109.2 | L104 E142 A143 M174 | L104-Q140 HydrophobicContact CD2-CB 3.71Å; L104-Q140 HydrophobicContact CD2-CG 3.87Å; Q140-E142 PolarHBondContact O-N 3.01Å; Q140-E142 VanDerWaalsContact O-N 3.13Å; Q140-A143 PolarHBondContact N-O 3.38Å; Q140-A143 PolarHBondContact O-N 3.25Å; Q140-M174 HydrophobicContact CB-CE 3.53Å; Q140-M174 HydrophobicContact CB-SD 4.18Å |
| 141 | Q | 88.3 | Confident | 95.2 | Very high | 195 Ų | 195 | 44.4 Ų | 44.4 | 91% | 0.911 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -112.7 | -173.5 | -55.8 | 178.1 | -1.4 | 0 | 0 | 111.7 | ||
| 142 | E | 87.4 | Confident | 95.1 | Very high | 200 Ų | 200 | 45 Ų | 45 | 94% | 0.935 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9.5 | 177.1 | -63.6 | -174.5 | 173.6 | 0 | 0 | 113.2 | Q140 | Q140-E142 PolarHBondContact O-N 3.01Å; Q140-E142 VanDerWaalsContact O-N 3.13Å |
| 143 | A | 92 | Very high | 95 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 149.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N139 Q140 M174 | N139-A143 WeakPolarHBondContact CA-O 3.49Å; Q140-A143 PolarHBondContact N-O 3.38Å; Q140-A143 PolarHBondContact O-N 3.25Å; A143-M174 HydrophobicContact CB-CB 4.47Å; A143-M174 HydrophobicContact CB-CG 4.21Å; A143-M174 HydrophobicContact CB-SD 4.26Å |
| 144 | E | 94.1 | Very high | 94.9 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.4 | 174.4 | 69.8 | 176.1 | 177.9 | 0 | 0 | 112.8 | N137 V138 N139 G146 E175 | N137-E144 PolarHBondContact ND2-OE2 3.02Å; V138-E144 CarbonylContact O-C 3.16Å; V138-E144 VanDerWaalsContact O-CA 3.28Å; V138-E144 WeakPolarHBondContact O-CA 3.36Å; N139-E144 VanDerWaalsContact ND2-CB 3.34Å; N139-E144 WeakPolarHBondContact ND2-CB 3.48Å; N139-E144 PolarHBondContact ND2-OE2 2.88Å; E144-G146 VanDerWaalsContact C-N 3.34Å; E144-E175 WeakPolarHBondContact O-CB 3.25Å; E144-E175 PolarHBondContact O-N 3.35Å |
| 145 | S | 92.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -81.4 | -16.6 | 172.1 | 70.7 | 0 | 0 | 0 | 0 | 113 | N137 V138 L173 R188 | N137-S145 PolarHBondContact OD1-OG 2.76Å; V138-S145 PolarHBondContact N-OG 3.34Å; V138-S145 PolarHBondContact O-N 3.2Å; S145-L173 WeakPolarHBondContact CB-O 3.34Å; S145-R188 VanDerWaalsContact O-CD 3.3Å; S145-R188 WeakPolarHBondContact O-CD 3.31Å; S145-R188 PolarHBondContact O-NH1 2.83Å | ||
| 146 | G | 91.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | trans | 87.4 | 141.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W136 N137 E144 T148 | W136-G146 VanDerWaalsContact O-O 3.12Å; N137-G146 VanDerWaalsContact OD1-C 3.25Å; N137-G146 WeakPolarHBondContact OD1-CA 3.3Å; N137-G146 PolarHBondContact OD1-N 3.2Å; N137-G146 PolarHBondContact OD1-O 2.91Å; E144-G146 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 2.8Å; G146-T148 PolarHBondContact O-OG1 2.9Å | ||
| 147 | K | 95.6 | Very high | 94.5 | Very high | 116 Ų | 116 | 40.9 Ų | 40.9 | 50% | 0.504 | 20% | 0.204 | S | C | . | . | trans | -72.4 | 105.5 | 175.1 | -179.4 | 177.7 | 176.1 | 173.8 | 0 | 110 | F109 H135 W136 N137 | F109-K147 HydrophobicContact CD1-CD 4.41Å; F109-K147 HydrophobicContact CD2-CD 3.87Å; F109-K147 HydrophobicContact CD2-CG 3.88Å; F109-K147 HydrophobicContact CE1-CD 4.38Å; F109-K147 HydrophobicContact CE2-CB 4.43Å; F109-K147 HydrophobicContact CE2-CD 3.86Å; F109-K147 HydrophobicContact CE2-CG 3.83Å; F109-K147 HydrophobicContact CG-CD 4.15Å; F109-K147 VanDerWaalsContact CG-CE 3.49Å; F109-K147 HydrophobicContact CZ-CD 4.11Å; H135-K147 HydrophobicContact CB-CG 3.99Å; W136-K147 WeakPolarHBondContact O-CA 3.47Å; N137-K147 HydrophobicContact CB-CB 4.47Å | ||
| 148 | T | 96.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.1 | -167.5 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | H135 W136 G146 V150 R188 Y189 | H135-T148 CarbonylContact C-O 3.55Å; H135-T148 VanDerWaalsContact CA-O 3.26Å; H135-T148 WeakPolarHBondContact CA-O 3.35Å; W136-T148 PolarHBondContact N-O 3.08Å; W136-T148 PolarHBondContact O-N 2.02Å; G146-T148 PolarHBondContact O-N 2.8Å; G146-T148 PolarHBondContact O-OG1 2.9Å; T148-V150 PolarHBondContact O-N 2.94Å; T148-R188 CarbonylContact C-O 3.55Å; T148-R188 VanDerWaalsContact CB-O 3.24Å; T148-R188 WeakPolarHBondContact CB-O 3.29Å; T148-R188 HydrophobicContact CG2-CB 3.95Å; T148-R188 WeakPolarHBondContact OG1-CB 3.19Å; T148-R188 PolarHBondContact OG1-O 2.86Å; T148-Y189 HydrophobicContact CG2-CD1 4.39Å; T148-Y189 HydrophobicContact CG2-CE1 3.72Å; T148-Y189 HydrophobicContact CG2-CE2 4.28Å |
| 149 | P | 97.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 81.1 | -174.2 | 33.9 | -35.3 | 0 | 0 | 0 | 111.7 | F134 G151 R188 Y189 C190 E191 | F134-P149 CarbonylContact O-C 3.6Å; F134-P149 WeakPolarHBondContact O-CA 3.26Å; P149-G151 VanDerWaalsContact C-N 3.27Å; P149-G151 PolarHBondContact O-N 3.4Å; P149-R188 CarbonylContact C-O 3.56Å; P149-R188 VanDerWaalsContact C-O 3.28Å; P149-Y189 HydrophobicContact CG-CD1 4.12Å; P149-Y189 CarbonylContact O-C 3.6Å; P149-C190 PolarHBondContact O-N 2.78Å; P149-E191 HydrophobicContact CB-CG 4.24Å; P149-E191 HydrophobicContact CG-CG 4.33Å; P149-E191 PolarHBondContact O-N 3.27Å |
| 150 | V | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -72.3 | -23.5 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | F134 W136 T148 C169 R170 R188 E191 V192 | F134-V150 HydrophobicContact CD1-CG2 3.94Å; F134-V150 HydrophobicContact CE1-CG2 4.25Å; F134-V150 PolarHBondContact O-N 2.94Å; F134-V150 VanDerWaalsContact O-N 3.14Å; W136-V150 HydrophobicContact CB-CB 4.35Å; W136-V150 HydrophobicContact CB-CG1 3.94Å; W136-V150 HydrophobicContact CB-CG2 3.44Å; W136-V150 VanDerWaalsContact CB-CG2 3.44Å; W136-V150 HydrophobicContact CG-CG1 4.4Å; W136-V150 HydrophobicContact CG-CG2 4.22Å; T148-V150 PolarHBondContact O-N 2.94Å; V150-C169 HydrophobicContact CB-CB 4.19Å; V150-R170 HydrophobicContact CG2-CG 4Å; V150-R188 WeakPolarHBondContact CG1-O 3.48Å; V150-R188 PolarHBondContact N-O 2.8Å; V150-E191 PolarHBondContact O-N 3.3Å; V150-V192 WeakPolarHBondContact O-CG1 3.47Å; V150-V192 PolarHBondContact O-N 3.36Å | ||
| 151 | G | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 77.9 | 156.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A131 P132 F134 P149 S167 | A131-G151 WeakPolarHBondContact O-CA 3.21Å; P132-G151 VanDerWaalsContact O-CA 3.31Å; P132-G151 WeakPolarHBondContact O-CA 3.2Å; F134-G151 PolarHBondContact O-N 3.35Å; F134-G151 VanDerWaalsContact O-N 3.14Å; P149-G151 VanDerWaalsContact C-N 3.27Å; P149-G151 PolarHBondContact O-N 3.4Å; G151-S167 PolarHBondContact O-OG 2.83Å | ||
| 152 | N | 96.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 136.6 | 179.5 | -178.1 | 42.2 | 0 | 0 | 0 | 111 | C130 A131 F134 S167 | C130-N152 CarbonylContact C-O 3.41Å; C130-N152 WeakPolarHBondContact CA-O 2.91Å; A131-N152 PolarHBondContact N-O 3.22Å; A131-N152 PolarHBondContact O-N 2.77Å; F134-N152 HydrophobicContact CB-CB 3.8Å; F134-N152 HydrophobicContact CD1-CB 3.73Å; F134-N152 HydrophobicContact CD2-CB 4.18Å; F134-N152 HydrophobicContact CE1-CB 4.38Å; F134-N152 HydrophobicContact CG-CB 3.61Å; N152-S167 WeakPolarHBondContact OD1-CB 3.05Å |
| 153 | C | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.1 | 170.8 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | L128 A129 C130 P165 F166 | L128-C153 HydrophobicContact CD1-CB 3.93Å; A129-C153 CarbonylContact O-C 3.58Å; A129-C153 WeakPolarHBondContact O-CA 3.24Å; C130-C153 HydrophobicContact CB-CB 4.04Å; C130-C153 WeakPolarHBondContact CB-SG 3.49Å; C130-C153 WeakPolarHBondContact SG-CB 3.38Å; C130-C153 CovalentContact SG-SG 2.05Å; C130-C153 PolarHBondContact SG-SG 2.88Å; C153-P165 CarbonylContact O-C 3.56Å; C153-P165 WeakPolarHBondContact O-CA 3.44Å; C153-F166 PolarHBondContact N-O 2.86Å; C153-F166 PolarHBondContact O-N 2.81Å |
| 154 | L | 96.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.5 | 175.2 | -61.2 | -176.4 | 0 | 0 | 0 | 108.9 | F91 D92 F115 A129 A163 P165 | F91-L154 HydrophobicContact CB-CD1 3.8Å; F91-L154 HydrophobicContact CD1-CB 3.69Å; F91-L154 HydrophobicContact CD1-CD1 4.42Å; F91-L154 HydrophobicContact CE1-CB 4.35Å; D92-L154 HydrophobicContact CB-CD1 3.93Å; F115-L154 HydrophobicContact CE2-CB 4.05Å; F115-L154 HydrophobicContact CE2-CD1 3.75Å; F115-L154 HydrophobicContact CE2-CG 3.93Å; F115-L154 HydrophobicContact CZ-CB 4.32Å; F115-L154 HydrophobicContact CZ-CD1 3.93Å; F115-L154 HydrophobicContact CZ-CG 4.43Å; A129-L154 PolarHBondContact N-O 2.78Å; A129-L154 PolarHBondContact O-N 3.03Å; L154-A163 HydrophobicContact CB-CB 4.23Å; L154-P165 HydrophobicContact CD2-CB 3.69Å |
| 155 | L | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 104.3 | 174 | -174.8 | 73.4 | 0 | 0 | 0 | 109.1 | V122 Y126 L128 A163 T164 V223 I226 I227 | V122-L155 HydrophobicContact CG2-CD1 3.88Å; Y126-L155 HydrophobicContact CD1-CD2 4.44Å; Y126-L155 HydrophobicContact CD1-CG 4.37Å; L128-L155 HydrophobicContact CB-CD1 4.34Å; L128-L155 HydrophobicContact CD1-CB 4.37Å; L128-L155 HydrophobicContact CD1-CD1 4.19Å; L155-A163 CarbonylContact O-C 3.46Å; L155-A163 WeakPolarHBondContact O-CA 3.24Å; L155-T164 PolarHBondContact N-O 2.87Å; L155-T164 PolarHBondContact O-N 3.4Å; L155-V223 HydrophobicContact CD2-CG1 3.91Å; L155-I226 HydrophobicContact CD2-CG2 4.19Å; L155-I227 HydrophobicContact CD2-CD1 4.42Å; L155-I227 HydrophobicContact CD2-CG1 3.93Å |
| 156 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.2 | 178.4 | 179.4 | 70.7 | 0 | 0 | 0 | 110.9 | I89 F91 Y126 L127 Q158 W161 | I89-L156 HydrophobicContact CG2-CD2 3.52Å; F91-L156 HydrophobicContact CD1-CB 3.74Å; F91-L156 HydrophobicContact CE1-CB 3.34Å; F91-L156 HydrophobicContact CE1-CD2 4.26Å; F91-L156 HydrophobicContact CE1-CG 4.36Å; F91-L156 HydrophobicContact CE2-CD2 4.13Å; F91-L156 HydrophobicContact CZ-CB 3.85Å; F91-L156 HydrophobicContact CZ-CD2 3.99Å; Y126-L156 VanDerWaalsContact CA-O 3.31Å; Y126-L156 WeakPolarHBondContact CA-O 3.43Å; L127-L156 HydrophobicContact CB-CB 4.5Å; L127-L156 PolarHBondContact N-O 2.86Å; L127-L156 PolarHBondContact O-N 3.1Å; L156-Q158 HydrophobicContact CD2-CG 4.2Å; L156-Q158 HydrophobicContact CG-CG 4.46Å; L156-W161 HydrophobicContact CD2-CE3 4.41Å; L156-W161 HydrophobicContact CD2-CZ3 4.41Å |
| 157 | D | 93 | Very high | 94 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.1 | 165.3 | -172.7 | -21.5 | 0 | 0 | 0 | 109.6 | R125 Y126 M159 T160 W161 S162 | R125-D157 WeakPolarHBondContact CG-OD1 3.4Å; R125-D157 IonicContact CZ-OD1 2.8Å; R125-D157 IonicContact CZ-OD2 2.82Å; R125-D157 VanDerWaalsContact CZ-OD2 3.25Å; R125-D157 VanDerWaalsContact NE-CG 3.31Å; R125-D157 IonicContact NE-OD1 3.09Å; R125-D157 PolarHBondContact NE-OD1 2.8Å; R125-D157 IonicContact NE-OD2 2.66Å; R125-D157 PolarHBondContact NE-OD2 3.49Å; R125-D157 VanDerWaalsContact NE-OD2 3.1Å; R125-D157 IonicContact NH2-OD1 3.34Å; R125-D157 IonicContact NH2-OD2 3.92Å; R125-D157 PolarHBondContact NH2-OD2 2.89Å; Y126-D157 HydrophobicContact CD1-CB 4.05Å; Y126-D157 HydrophobicContact CE1-CB 3.66Å; Y126-D157 WeakPolarHBondContact CE1-OD2 3.27Å; Y126-D157 PolarHBondContact OH-OD2 2.97Å; D157-M159 PolarHBondContact O-N 2.77Å; D157-M159 WeakPolarHBondContact OD1-CB 3.29Å; D157-M159 PolarHBondContact OD1-N 3.2Å; D157-T160 WeakPolarHBondContact CB-OG1 3.44Å; D157-T160 PolarHBondContact O-N 2.89Å; D157-W161 VanDerWaalsContact O-CA 3.23Å; D157-W161 WeakPolarHBondContact O-CA 3.5Å; D157-W161 PolarHBondContact O-N 3.45Å; D157-S162 PolarHBondContact N-O 3.19Å; D157-S162 PolarHBondContact O-N 2.02Å |
| 158 | Q | 88.5 | Confident | 93.9 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.2 | -177.4 | -71.2 | -171 | -4.3 | 0 | 0 | 114.5 | H47 F49 R125 L156 W161 | H47-Q158 PolarHBondContact CD2-NE2 2.89Å; H47-Q158 PolarHBondContact NE2-NE2 2.83Å; H47-Q158 PolarHBondContact NE2-OE1 3.24Å; F49-Q158 HydrophobicContact CD2-CB 3.92Å; F49-Q158 HydrophobicContact CE1-CB 4.45Å; F49-Q158 HydrophobicContact CE2-CB 3.75Å; F49-Q158 HydrophobicContact CG-CB 4.37Å; F49-Q158 HydrophobicContact CZ-CB 4.03Å; R125-Q158 PolarHBondContact O-N 2.91Å; L156-Q158 HydrophobicContact CD2-CG 4.2Å; L156-Q158 HydrophobicContact CG-CG 4.46Å; Q158-W161 PolarHBondContact O-NE1 3.44Å |
| 159 | M | 89 | Confident | 93.8 | Very high | 120 Ų | 120 | 29 Ų | 29 | 59% | 0.591 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -35.2 | 173.1 | -70.1 | -172 | 171.1 | 0 | 0 | 111.8 | F49 R125 D157 | F49-M159 HydrophobicContact CE2-CG 4.3Å; R125-M159 HydrophobicContact CG-CG 4.16Å; R125-M159 HydrophobicContact CG-SD 4.47Å; D157-M159 PolarHBondContact O-N 2.77Å; D157-M159 WeakPolarHBondContact OD1-CB 3.29Å; D157-M159 PolarHBondContact OD1-N 3.2Å |
| 160 | T | 89.9 | Confident | 93.6 | Very high | 82 Ų | 82 | 30 Ų | 30 | 50% | 0.503 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -12.5 | -178.1 | 55 | 0 | 0 | 0 | 0 | 113.2 | D157 S162 | D157-T160 WeakPolarHBondContact CB-OG1 3.44Å; D157-T160 PolarHBondContact O-N 2.89Å; T160-S162 PolarHBondContact O-N 2.69Å; T160-S162 PolarHBondContact OG1-OG 3.44Å |
| 161 | W | 89.6 | Confident | 93.4 | Very high | 141 Ų | 141 | 31 Ų | 31 | 53% | 0.534 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.6 | -170.3 | -65.9 | 89.9 | 0 | 0 | 0 | 112.7 | I89 L156 D157 Q158 | I89-W161 HydrophobicContact CG2-CZ3 4.08Å; L156-W161 HydrophobicContact CD2-CE3 4.41Å; L156-W161 HydrophobicContact CD2-CZ3 4.41Å; D157-W161 VanDerWaalsContact O-CA 3.23Å; D157-W161 WeakPolarHBondContact O-CA 3.5Å; D157-W161 PolarHBondContact O-N 3.45Å; Q158-W161 PolarHBondContact O-NE1 3.44Å |
| 162 | S | 90.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.5 | 178 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | D157 T160 | D157-S162 PolarHBondContact N-O 3.19Å; D157-S162 PolarHBondContact O-N 2.02Å; T160-S162 PolarHBondContact O-N 2.69Å; T160-S162 PolarHBondContact OG1-OG 3.44Å |
| 163 | A | 92.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F91 L154 L155 | F91-A163 HydrophobicContact CD1-CB 4.25Å; F91-A163 VanDerWaalsContact O-CB 3.24Å; F91-A163 WeakPolarHBondContact O-CB 3.21Å; L154-A163 HydrophobicContact CB-CB 4.23Å; L155-A163 CarbonylContact O-C 3.46Å; L155-A163 WeakPolarHBondContact O-CA 3.24Å |
| 164 | T | 93 | Very high | 92.8 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.4 | 170.7 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | L155 I226 | L155-T164 PolarHBondContact N-O 2.87Å; L155-T164 PolarHBondContact O-N 3.4Å; T164-I226 HydrophobicContact CG2-CG2 3.97Å |
| 165 | P | 92.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.3 | 178.9 | 31.1 | -34.1 | 0 | 0 | 0 | 111.6 | C153 L154 Q237 | C153-P165 CarbonylContact O-C 3.56Å; C153-P165 WeakPolarHBondContact O-CA 3.44Å; L154-P165 HydrophobicContact CD2-CB 3.69Å; P165-Q237 PolarHBondContact O-OE1 2.76Å; P165-Q237 VanDerWaalsContact O-OE1 3.1Å |
| 166 | F | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 105.4 | 174.6 | -176.9 | -112.1 | 0 | 0 | 0 | 109 | C153 P168 L206 V221 I226 V239 I242 | C153-F166 PolarHBondContact N-O 2.86Å; C153-F166 PolarHBondContact O-N 2.81Å; F166-P168 HydrophobicContact CD1-CG 4.49Å; F166-P168 HydrophobicContact CE1-CG 3.81Å; F166-P168 HydrophobicContact CE2-CB 4.37Å; F166-P168 HydrophobicContact CE2-CG 4.4Å; F166-P168 HydrophobicContact CZ-CB 4.05Å; F166-P168 HydrophobicContact CZ-CG 3.75Å; F166-L206 HydrophobicContact CD1-CD1 3.74Å; F166-L206 HydrophobicContact CE1-CD1 3.63Å; F166-V221 HydrophobicContact CE1-CG1 3.78Å; F166-V221 HydrophobicContact CE2-CG1 4.2Å; F166-V221 HydrophobicContact CE2-CG2 4.42Å; F166-V221 HydrophobicContact CZ-CB 4.13Å; F166-V221 HydrophobicContact CZ-CG1 3.6Å; F166-V221 HydrophobicContact CZ-CG2 4.41Å; F166-I226 HydrophobicContact CB-CD1 4.39Å; F166-I226 HydrophobicContact CB-CG2 4.22Å; F166-I226 HydrophobicContact CD1-CD1 4.29Å; F166-I226 HydrophobicContact CD2-CD1 4.16Å; F166-I226 HydrophobicContact CD2-CG1 3.82Å; F166-I226 HydrophobicContact CE2-CG1 4.19Å; F166-I226 HydrophobicContact CG-CD1 4.01Å; F166-I226 HydrophobicContact CG-CG1 4.16Å; F166-V239 HydrophobicContact CD2-CG2 3.97Å; F166-V239 HydrophobicContact CE2-CB 4.21Å; F166-V239 HydrophobicContact CE2-CG1 4.18Å; F166-V239 HydrophobicContact CE2-CG2 3.9Å; F166-I242 HydrophobicContact CE2-CD1 4.06Å; F166-I242 HydrophobicContact CE2-CG1 4.36Å; F166-I242 HydrophobicContact CZ-CD1 4.23Å; F166-I242 HydrophobicContact CZ-CG1 4.32Å |
| 167 | S | 94.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | trans | -140 | 75.9 | -177.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | G151 N152 C169 R170 | G151-S167 PolarHBondContact O-OG 2.83Å; N152-S167 WeakPolarHBondContact OD1-CB 3.05Å; S167-C169 PolarHBondContact O-N 3.17Å; S167-R170 PolarHBondContact O-N 3.24Å; S167-R170 WeakPolarHBondContact OG-CG 2.95Å; S167-R170 PolarHBondContact OG-NE 2.77Å; S167-R170 VanDerWaalsContact OG-NE 3.14Å | ||
| 168 | P | 93.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.6 | -172.8 | 28.1 | -37.5 | 0 | 0 | 0 | 114 | F166 V192 I219 I242 | F166-P168 HydrophobicContact CD1-CG 4.49Å; F166-P168 HydrophobicContact CE1-CG 3.81Å; F166-P168 HydrophobicContact CE2-CB 4.37Å; F166-P168 HydrophobicContact CE2-CG 4.4Å; F166-P168 HydrophobicContact CZ-CB 4.05Å; F166-P168 HydrophobicContact CZ-CG 3.75Å; P168-V192 HydrophobicContact CG-CG2 4.27Å; P168-I219 HydrophobicContact CB-CD1 4.49Å; P168-I219 HydrophobicContact CG-CD1 3.71Å; P168-I219 HydrophobicContact CG-CG2 4.26Å; P168-I242 HydrophobicContact CB-CD1 4.15Å |
| 169 | C | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.4 | -178 | -68 | 0 | 0 | 0 | 0 | 113.9 | V150 S167 G171 Q187 C190 | V150-C169 HydrophobicContact CB-CB 4.19Å; S167-C169 PolarHBondContact O-N 3.17Å; C169-G171 PolarHBondContact O-N 2.95Å; C169-Q187 HydrophobicContact CB-CB 4.18Å; C169-C190 HydrophobicContact CB-CB 3.26Å; C169-C190 WeakPolarHBondContact CB-SG 3Å; C169-C190 WeakPolarHBondContact SG-CB 3.18Å; C169-C190 CovalentContact SG-SG 2.03Å; C169-C190 PolarHBondContact SG-SG 2.97Å |
| 170 | R | 94 | Very high | 92.3 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | trans | -69.2 | 117.6 | 172.7 | -71.4 | 177.4 | -171.7 | -170.4 | -0.1 | 110.6 | W136 V150 S167 P235 I236 | W136-R170 HydrophobicContact CD2-CB 4.4Å; W136-R170 HydrophobicContact CD2-CG 3.89Å; W136-R170 HydrophobicContact CE3-CG 4.26Å; W136-R170 HydrophobicContact CG-CG 4.09Å; W136-R170 HydrophobicContact CZ2-CB 4.21Å; W136-R170 HydrophobicContact CZ2-CG 4.39Å; V150-R170 HydrophobicContact CG2-CG 4Å; S167-R170 PolarHBondContact O-N 3.24Å; S167-R170 WeakPolarHBondContact OG-CG 2.95Å; S167-R170 PolarHBondContact OG-NE 2.77Å; S167-R170 VanDerWaalsContact OG-NE 3.14Å; R170-P235 PolarHBondContact NH1-O 2.83Å; R170-P235 VanDerWaalsContact NH1-O 3.13Å; R170-I236 HydrophobicContact CB-CD1 4.34Å; R170-I236 HydrophobicContact CB-CG1 4.09Å | ||
| 171 | G | 92 | Very high | 92.3 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | trans | -106.7 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W136 V138 C169 | W136-G171 PolarHBondContact NE1-O 2.86Å; V138-G171 WeakPolarHBondContact CG2-O 3.27Å; C169-G171 PolarHBondContact O-N 2.95Å | ||
| 172 | T | 93.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | trans | -119.9 | 1.1 | 174.6 | 59 | 0 | 0 | 0 | 0 | 113.6 | F106 I236 | F106-T172 HydrophobicContact CE1-CG2 4.04Å; T172-I236 HydrophobicContact CG2-CD1 3.39Å | ||
| 173 | L | 92.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -74 | 145.5 | 180 | -63.2 | 179.5 | 0 | 0 | 0 | 110.4 | S145 D177 Y178 | S145-L173 WeakPolarHBondContact CB-O 3.34Å; L173-D177 HydrophobicContact CB-CB 4.09Å; L173-D177 HydrophobicContact CD2-CB 4.23Å; L173-Y178 HydrophobicContact CB-CD2 4.18Å; L173-Y178 HydrophobicContact CB-CE1 4.36Å; L173-Y178 HydrophobicContact CB-CE2 3.52Å; L173-Y178 HydrophobicContact CD1-CE1 4.04Å; L173-Y178 WeakPolarHBondContact O-CE2 3.34Å | ||
| 174 | M | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | trans | -88.4 | 162.7 | 176.4 | -57.4 | -64.2 | 149.9 | 0 | 0 | 110.6 | L104 V138 Q140 A143 N176 D177 Y178 | L104-M174 HydrophobicContact CD2-CE 3.64Å; V138-M174 HydrophobicContact CB-CE 4.49Å; V138-M174 HydrophobicContact CG1-CE 4Å; Q140-M174 HydrophobicContact CB-CE 3.53Å; Q140-M174 HydrophobicContact CB-SD 4.18Å; A143-M174 HydrophobicContact CB-CB 4.47Å; A143-M174 HydrophobicContact CB-CG 4.21Å; A143-M174 HydrophobicContact CB-SD 4.26Å; M174-N176 PolarHBondContact O-N 2.79Å; M174-N176 VanDerWaalsContact O-N 3.14Å; M174-D177 PolarHBondContact N-OD2 3.02Å; M174-D177 WeakPolarHBondContact O-CA 3.37Å; M174-D177 WeakPolarHBondContact O-CB 3.35Å; M174-D177 PolarHBondContact O-N 3.45Å; M174-Y178 VanDerWaalsContact O-CD2 3.22Å; M174-Y178 WeakPolarHBondContact O-CD2 3.5Å; M174-Y178 PolarHBondContact O-N 3.35Å | ||
| 175 | E | 92.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.5 | -40.9 | 177.1 | -173 | 68.5 | -127.9 | 0 | 0 | 112.7 | E144 D177 Y178 T179 R188 | E144-E175 WeakPolarHBondContact O-CB 3.25Å; E144-E175 PolarHBondContact O-N 3.35Å; E175-D177 VanDerWaalsContact C-N 3.3Å; E175-D177 PolarHBondContact O-N 3.4Å; E175-Y178 PolarHBondContact O-N 2.77Å; E175-T179 PolarHBondContact O-N 3.17Å; E175-T179 PolarHBondContact O-OG1 2.73Å; E175-R188 VanDerWaalsContact CD-NH1 3.33Å; E175-R188 IonicContact OE1-CZ 2.74Å; E175-R188 IonicContact OE1-NH1 3.87Å; E175-R188 IonicContact OE1-NH2 3.11Å; E175-R188 PolarHBondContact OE1-NH2 2.79Å; E175-R188 IonicContact OE2-CZ 2.74Å; E175-R188 IonicContact OE2-NH1 3.06Å; E175-R188 PolarHBondContact OE2-NH1 2.8Å; E175-R188 IonicContact OE2-NH2 3.04Å |
| 176 | N | 91.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 178.5 | -165.5 | 27.4 | 0 | 0 | 0 | 112.6 | M174 T179 Q180 | M174-N176 PolarHBondContact O-N 2.79Å; M174-N176 VanDerWaalsContact O-N 3.14Å; N176-T179 VanDerWaalsContact CA-OG1 3.23Å; N176-T179 WeakPolarHBondContact CA-OG1 3.42Å; N176-T179 PolarHBondContact O-OG1 2.81Å; N176-Q180 PolarHBondContact ND2-NE2 2.86Å; N176-Q180 WeakPolarHBondContact O-CB 3.49Å; N176-Q180 WeakPolarHBondContact O-CG 3.46Å; N176-Q180 PolarHBondContact O-N 3.32Å; N176-Q180 PolarHBondContact OD1-NE2 2.99Å |
| 177 | D | 92.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 177.4 | -60.9 | -44.3 | 0 | 0 | 0 | 111.1 | L173 M174 E175 R181 | L173-D177 HydrophobicContact CB-CB 4.09Å; L173-D177 HydrophobicContact CD2-CB 4.23Å; M174-D177 PolarHBondContact N-OD2 3.02Å; M174-D177 WeakPolarHBondContact O-CA 3.37Å; M174-D177 WeakPolarHBondContact O-CB 3.35Å; M174-D177 PolarHBondContact O-N 3.45Å; E175-D177 VanDerWaalsContact C-N 3.3Å; E175-D177 PolarHBondContact O-N 3.4Å; D177-R181 VanDerWaalsContact O-CG 3.26Å; D177-R181 WeakPolarHBondContact O-CG 3.48Å; D177-R181 PolarHBondContact O-N 3.32Å |
| 178 | Y | 90.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -50.2 | 175.6 | -70.4 | -74.6 | 0 | 0 | 0 | 110.8 | L173 M174 E175 Q180 R181 S182 N183 D186 R188 | L173-Y178 HydrophobicContact CB-CD2 4.18Å; L173-Y178 HydrophobicContact CB-CE1 4.36Å; L173-Y178 HydrophobicContact CB-CE2 3.52Å; L173-Y178 HydrophobicContact CD1-CE1 4.04Å; L173-Y178 WeakPolarHBondContact O-CE2 3.34Å; M174-Y178 VanDerWaalsContact O-CD2 3.22Å; M174-Y178 WeakPolarHBondContact O-CD2 3.5Å; M174-Y178 PolarHBondContact O-N 3.35Å; E175-Y178 PolarHBondContact O-N 2.77Å; Y178-Q180 VanDerWaalsContact C-N 3.31Å; Y178-Q180 PolarHBondContact O-N 2.79Å; Y178-R181 CarbonylContact O-C 3.55Å; Y178-R181 WeakPolarHBondContact O-CA 3.23Å; Y178-R181 PolarHBondContact O-N 2.83Å; Y178-S182 PolarHBondContact O-N 2.82Å; Y178-N183 WeakPolarHBondContact CB-OD1 3.37Å; Y178-N183 WeakPolarHBondContact O-CA 3.4Å; Y178-N183 PolarHBondContact O-N 2.82Å; Y178-N183 PolarHBondContact O-OD1 3.47Å; Y178-D186 HydrophobicContact CD1-CB 3.98Å; Y178-D186 HydrophobicContact CE1-CB 4.15Å; Y178-R188 VanDerWaalsContact CE2-CD 3.49Å; Y178-R188 HydrophobicContact CE2-CG 4.08Å |
| 179 | T | 89.6 | Confident | 91.4 | Very high | 70 Ų | 70 | 61.5 Ų | 61.5 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 178.6 | 42.5 | 0 | 0 | 0 | 0 | 112.6 | E175 N176 R181 S182 N183 | E175-T179 PolarHBondContact O-N 3.17Å; E175-T179 PolarHBondContact O-OG1 2.73Å; N176-T179 VanDerWaalsContact CA-OG1 3.23Å; N176-T179 WeakPolarHBondContact CA-OG1 3.42Å; N176-T179 PolarHBondContact O-OG1 2.81Å; T179-R181 PolarHBondContact O-N 3.18Å; T179-S182 PolarHBondContact O-N 2.76Å; T179-S182 VanDerWaalsContact O-N 3.1Å; T179-N183 WeakPolarHBondContact CA-OD1 3.42Å; T179-N183 PolarHBondContact N-OD1 3.21Å |
| 180 | Q | 91.9 | Very high | 91.5 | Very high | 132 Ų | 132 | 61.3 Ų | 61.3 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.9 | -28.1 | 172.8 | -76.4 | 175.1 | 30.1 | 0 | 0 | 113.7 | N176 Y178 S182 | N176-Q180 PolarHBondContact ND2-NE2 2.86Å; N176-Q180 WeakPolarHBondContact O-CB 3.49Å; N176-Q180 WeakPolarHBondContact O-CG 3.46Å; N176-Q180 PolarHBondContact O-N 3.32Å; N176-Q180 PolarHBondContact OD1-NE2 2.99Å; Y178-Q180 VanDerWaalsContact C-N 3.31Å; Y178-Q180 PolarHBondContact O-N 2.79Å; Q180-S182 VanDerWaalsContact C-N 3.3Å |
| 181 | R | 88.9 | Confident | 91.7 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 51% | 0.506 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 11.7 | 176.7 | -66.6 | 174.7 | -173.6 | -155.1 | 2.9 | 113 | D177 Y178 T179 N183 R184 | D177-R181 VanDerWaalsContact O-CG 3.26Å; D177-R181 WeakPolarHBondContact O-CG 3.48Å; D177-R181 PolarHBondContact O-N 3.32Å; Y178-R181 CarbonylContact O-C 3.55Å; Y178-R181 WeakPolarHBondContact O-CA 3.23Å; Y178-R181 PolarHBondContact O-N 2.83Å; T179-R181 PolarHBondContact O-N 3.18Å; R181-N183 PolarHBondContact O-N 3.44Å; R181-N183 VanDerWaalsContact O-N 3.13Å; R181-R184 WeakPolarHBondContact O-CB 3.16Å; R181-R184 WeakPolarHBondContact O-CG 3.16Å; R181-R184 PolarHBondContact O-N 3.42Å; R181-R184 VanDerWaalsContact O-N 3.16Å |
| 182 | S | 87.3 | Confident | 92 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 32.6 | -170.8 | -50 | 0 | 0 | 0 | 0 | 111.9 | Y178 T179 Q180 R184 | Y178-S182 PolarHBondContact O-N 2.82Å; T179-S182 PolarHBondContact O-N 2.76Å; T179-S182 VanDerWaalsContact O-N 3.1Å; Q180-S182 VanDerWaalsContact C-N 3.3Å; S182-R184 PolarHBondContact O-N 2.84Å; S182-R184 VanDerWaalsContact O-N 3.13Å |
| 183 | N | 83.8 | Confident | 92.2 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.5 | 179.2 | -50.1 | -55.8 | 0 | 0 | 0 | 114.9 | Y178 T179 R181 D186 Y213 | Y178-N183 WeakPolarHBondContact CB-OD1 3.37Å; Y178-N183 WeakPolarHBondContact O-CA 3.4Å; Y178-N183 PolarHBondContact O-N 2.82Å; Y178-N183 PolarHBondContact O-OD1 3.47Å; T179-N183 WeakPolarHBondContact CA-OD1 3.42Å; T179-N183 PolarHBondContact N-OD1 3.21Å; R181-N183 PolarHBondContact O-N 3.44Å; R181-N183 VanDerWaalsContact O-N 3.13Å; N183-D186 WeakPolarHBondContact O-CB 3.29Å; N183-D186 PolarHBondContact O-N 3.21Å; N183-Y213 HydrophobicContact CB-CD2 4.49Å; N183-Y213 HydrophobicContact CB-CE2 3.24Å; N183-Y213 WeakPolarHBondContact CB-OH 3.48Å; N183-Y213 PolarHBondContact ND2-OH 3.39Å |
| 184 | R | 85.6 | Confident | 92.4 | Very high | 167 Ų | 167 | 58 Ų | 58 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 145.1 | 170.8 | -67.8 | -179.9 | -178.5 | -175.7 | 0.8 | 111.1 | R181 S182 D186 | R181-R184 WeakPolarHBondContact O-CB 3.16Å; R181-R184 WeakPolarHBondContact O-CG 3.16Å; R181-R184 PolarHBondContact O-N 3.42Å; R181-R184 VanDerWaalsContact O-N 3.16Å; S182-R184 PolarHBondContact O-N 2.84Å; S182-R184 VanDerWaalsContact O-N 3.13Å; R184-D186 PolarHBondContact O-N 3.45Å |
| 185 | N | 87.1 | Confident | 92.6 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.7 | -175.2 | -53.1 | -71.6 | 0 | 0 | 0 | 114.1 | Q187 F212 E247 | N185-Q187 PolarHBondContact O-N 3.13Å; N185-F212 HydrophobicContact CB-CE1 4.32Å; N185-E247 PolarHBondContact N-OE2 3.47Å |
| 186 | D | 92.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -74.2 | 110.6 | 176 | -167.6 | -7.6 | 0 | 0 | 0 | 111.2 | Y178 N183 R184 R188 F212 | Y178-D186 HydrophobicContact CD1-CB 3.98Å; Y178-D186 HydrophobicContact CE1-CB 4.15Å; N183-D186 WeakPolarHBondContact O-CB 3.29Å; N183-D186 PolarHBondContact O-N 3.21Å; R184-D186 PolarHBondContact O-N 3.45Å; D186-R188 WeakPolarHBondContact OD1-CB 3.43Å; D186-R188 WeakPolarHBondContact OD1-CG 3.2Å; D186-R188 PolarHBondContact OD1-N 3.35Å; D186-R188 IonicContact OD1-NE 3.56Å; D186-R188 PolarHBondContact OD1-NE 2.84Å; D186-R188 VanDerWaalsContact OD1-NE 3.09Å; D186-R188 IonicContact OD2-CZ 2.67Å; D186-R188 IonicContact OD2-NE 3.62Å; D186-R188 PolarHBondContact OD2-NE 2.76Å; D186-R188 IonicContact OD2-NH2 3.1Å; D186-R188 PolarHBondContact OD2-NH2 2.84Å; D186-F212 WeakPolarHBondContact O-CA 3.42Å; D186-F212 PolarHBondContact O-N 3.4Å | ||
| 187 | Q | 94.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | trans | -106.5 | 10.8 | 177.6 | -68 | 177.2 | -47.7 | 0 | 0 | 112.7 | C169 N185 Y189 C190 F212 | C169-Q187 HydrophobicContact CB-CB 4.18Å; N185-Q187 PolarHBondContact O-N 3.13Å; Q187-Y189 PolarHBondContact O-N 3.46Å; Q187-C190 HydrophobicContact CB-CB 4.34Å; Q187-C190 WeakPolarHBondContact O-CB 3.33Å; Q187-C190 PolarHBondContact O-N 2.88Å; Q187-C190 VanDerWaalsContact O-N 3.08Å; Q187-F212 HydrophobicContact CG-CD1 4.3Å; Q187-F212 HydrophobicContact CG-CE1 3.59Å; Q187-F212 HydrophobicContact CG-CZ 4.05Å | ||
| 188 | R | 95.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.6 | -176.8 | -74.4 | -176.2 | -64.8 | 169.1 | 1.3 | 113.5 | S145 T148 P149 V150 E175 Y178 D186 | S145-R188 VanDerWaalsContact O-CD 3.3Å; S145-R188 WeakPolarHBondContact O-CD 3.31Å; S145-R188 PolarHBondContact O-NH1 2.83Å; T148-R188 CarbonylContact C-O 3.55Å; T148-R188 VanDerWaalsContact CB-O 3.24Å; T148-R188 WeakPolarHBondContact CB-O 3.29Å; T148-R188 HydrophobicContact CG2-CB 3.95Å; T148-R188 WeakPolarHBondContact OG1-CB 3.19Å; T148-R188 PolarHBondContact OG1-O 2.86Å; P149-R188 CarbonylContact C-O 3.56Å; P149-R188 VanDerWaalsContact C-O 3.28Å; V150-R188 WeakPolarHBondContact CG1-O 3.48Å; V150-R188 PolarHBondContact N-O 2.8Å; E175-R188 VanDerWaalsContact CD-NH1 3.33Å; E175-R188 IonicContact OE1-CZ 2.74Å; E175-R188 IonicContact OE1-NH1 3.87Å; E175-R188 IonicContact OE1-NH2 3.11Å; E175-R188 PolarHBondContact OE1-NH2 2.79Å; E175-R188 IonicContact OE2-CZ 2.74Å; E175-R188 IonicContact OE2-NH1 3.06Å; E175-R188 PolarHBondContact OE2-NH1 2.8Å; E175-R188 IonicContact OE2-NH2 3.04Å; Y178-R188 VanDerWaalsContact CE2-CD 3.49Å; Y178-R188 HydrophobicContact CE2-CG 4.08Å; D186-R188 WeakPolarHBondContact OD1-CB 3.43Å; D186-R188 WeakPolarHBondContact OD1-CG 3.2Å; D186-R188 PolarHBondContact OD1-N 3.35Å; D186-R188 IonicContact OD1-NE 3.56Å; D186-R188 PolarHBondContact OD1-NE 2.84Å; D186-R188 VanDerWaalsContact OD1-NE 3.09Å; D186-R188 IonicContact OD2-CZ 2.67Å; D186-R188 IonicContact OD2-NE 3.62Å; D186-R188 PolarHBondContact OD2-NE 2.76Å; D186-R188 IonicContact OD2-NH2 3.1Å; D186-R188 PolarHBondContact OD2-NH2 2.84Å |
| 189 | Y | 96.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 20.4 | 179.4 | -54.1 | -85.9 | 0 | 0 | 0 | 112.7 | T148 P149 Q187 E191 G210 | T148-Y189 HydrophobicContact CG2-CD1 4.39Å; T148-Y189 HydrophobicContact CG2-CE1 3.72Å; T148-Y189 HydrophobicContact CG2-CE2 4.28Å; P149-Y189 HydrophobicContact CG-CD1 4.12Å; P149-Y189 CarbonylContact O-C 3.6Å; Q187-Y189 PolarHBondContact O-N 3.46Å; Y189-E191 VanDerWaalsContact C-N 3.29Å; Y189-E191 PolarHBondContact O-N 2.86Å; Y189-G210 CarbonylContact O-C 3.25Å; Y189-G210 WeakPolarHBondContact O-CA 3.39Å |
| 190 | C | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -55.4 | -36.1 | -168.7 | 163.3 | 0 | 0 | 0 | 0 | 115.1 | P149 C169 Q187 V192 A208 G210 S211 | P149-C190 PolarHBondContact O-N 2.78Å; C169-C190 HydrophobicContact CB-CB 3.26Å; C169-C190 WeakPolarHBondContact CB-SG 3Å; C169-C190 WeakPolarHBondContact SG-CB 3.18Å; C169-C190 CovalentContact SG-SG 2.03Å; C169-C190 PolarHBondContact SG-SG 2.97Å; Q187-C190 HydrophobicContact CB-CB 4.34Å; Q187-C190 WeakPolarHBondContact O-CB 3.33Å; Q187-C190 PolarHBondContact O-N 2.88Å; Q187-C190 VanDerWaalsContact O-N 3.08Å; C190-V192 PolarHBondContact O-N 3.15Å; C190-A208 CarbonylContact O-C 3.49Å; C190-A208 WeakPolarHBondContact O-CA 3.38Å; C190-A208 VanDerWaalsContact O-CB 3.28Å; C190-A208 WeakPolarHBondContact O-CB 3.05Å; C190-A208 WeakPolarHBondContact SG-CB 3.35Å; C190-G210 PolarHBondContact O-N 3.18Å; C190-S211 WeakPolarHBondContact CA-OG 3.48Å; C190-S211 WeakPolarHBondContact CB-OG 3.46Å | ||
| 191 | E | 98.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | 53.6 | 39.6 | -177.4 | -62.1 | 174.5 | -160.6 | 0 | 0 | 113.3 | P132 L133 P149 V150 Y189 G193 F194 | P132-E191 HydrophobicContact CB-CB 4.36Å; P132-E191 WeakPolarHBondContact O-CA 3.4Å; L133-E191 HydrophobicContact CD2-CG 4.45Å; P149-E191 HydrophobicContact CB-CG 4.24Å; P149-E191 HydrophobicContact CG-CG 4.33Å; P149-E191 PolarHBondContact O-N 3.27Å; V150-E191 PolarHBondContact O-N 3.3Å; Y189-E191 VanDerWaalsContact C-N 3.29Å; Y189-E191 PolarHBondContact O-N 2.86Å; E191-G193 PolarHBondContact O-N 2.84Å; E191-F194 WeakPolarHBondContact O-CB 3.44Å; E191-F194 PolarHBondContact O-N 2.84Å; E191-F194 VanDerWaalsContact O-N 3.14Å | ||
| 192 | V | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 135.7 | -176.8 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | V150 P168 C190 L206 A208 I219 | V150-V192 WeakPolarHBondContact O-CG1 3.47Å; V150-V192 PolarHBondContact O-N 3.36Å; P168-V192 HydrophobicContact CG-CG2 4.27Å; C190-V192 PolarHBondContact O-N 3.15Å; V192-L206 HydrophobicContact CG2-CB 4.01Å; V192-L206 HydrophobicContact CG2-CD1 3.89Å; V192-A208 HydrophobicContact CB-CB 4.34Å; V192-I219 HydrophobicContact CG2-CD1 4.04Å |
| 193 | G | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 9.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S118 E191 S195 G207 | S118-G193 WeakPolarHBondContact CB-O 3.41Å; S118-G193 PolarHBondContact OG-O 2.81Å; E191-G193 PolarHBondContact O-N 2.84Å; G193-S195 PolarHBondContact O-N 3.38Å; G193-G207 PolarHBondContact N-O 3.48Å |
| 194 | F | 98.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -51.1 | -46.8 | 167.3 | -172.5 | -84.7 | 0 | 0 | 0 | 111.2 | P132 E191 G207 P209 Y257 | P132-F194 HydrophobicContact CB-CB 4.45Å; E191-F194 WeakPolarHBondContact O-CB 3.44Å; E191-F194 PolarHBondContact O-N 2.84Å; E191-F194 VanDerWaalsContact O-N 3.14Å; F194-G207 PolarHBondContact N-O 2.92Å; F194-P209 HydrophobicContact CB-CG 3.86Å; F194-P209 HydrophobicContact CD1-CG 4.02Å; F194-P209 HydrophobicContact CD2-CG 3.87Å; F194-P209 HydrophobicContact CE2-CG 4.45Å; F194-P209 HydrophobicContact CG-CG 3.64Å; F194-Y257 WeakPolarHBondContact CD1-O 3.06Å; F194-Y257 AromaticContact CE1-CD1 3.98Å; F194-Y257 HydrophobicContact CE1-CD1 3.98Å; F194-Y257 AromaticContact CE1-CD2 3.67Å; F194-Y257 HydrophobicContact CE1-CD2 3.67Å; F194-Y257 AromaticContact CE1-CE1 3.93Å; F194-Y257 HydrophobicContact CE1-CE1 3.93Å; F194-Y257 AromaticContact CE1-CE2 3.65Å; F194-Y257 HydrophobicContact CE1-CE2 3.65Å; F194-Y257 AromaticContact CE1-CG 3.84Å; F194-Y257 HydrophobicContact CE1-CG 3.84Å; F194-Y257 AromaticContact CE1-CZ 3.76Å; F194-Y257 WeakPolarHBondContact CE1-O 3.33Å; F194-Y257 AromaticContact CZ-CD2 3.91Å; F194-Y257 HydrophobicContact CZ-CD2 3.91Å; F194-Y257 HydrophobicContact CZ-CE1 4.32Å; F194-Y257 AromaticContact CZ-CE2 3.47Å; F194-Y257 HydrophobicContact CZ-CE2 3.47Å; F194-Y257 VanDerWaalsContact CZ-CE2 3.47Å; F194-Y257 HydrophobicContact CZ-CG 4.5Å; F194-Y257 AromaticContact CZ-CZ 3.69Å |
| 195 | S | 98.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.2 | 167.5 | 67.6 | 0 | 0 | 0 | 0 | 110 | G193 L206 G207 G256 Y257 | G193-S195 PolarHBondContact O-N 3.38Å; S195-L206 WeakPolarHBondContact O-CA 3.09Å; S195-G207 PolarHBondContact O-N 2.89Å; S195-G207 WeakPolarHBondContact OG-CA 3.25Å; S195-G256 PolarHBondContact OG-O 2.93Å; S195-Y257 WeakPolarHBondContact CB-O 3.48Å |
| 196 | A | 97.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 138.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R120 L128 V205 L206 | R120-A196 HydrophobicContact CG-CB 4.08Å; R120-A196 PolarHBondContact NE-O 2.81Å; R120-A196 PolarHBondContact NH2-O 2.77Å; L128-A196 HydrophobicContact CD2-CB 4.34Å; A196-V205 CarbonylContact C-O 3.44Å; A196-V205 WeakPolarHBondContact CA-O 3.22Å; A196-L206 HydrophobicContact CB-CD2 3.63Å |
| 197 | D | 95.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 167 | 169.9 | -165.7 | 28.8 | 0 | 0 | 0 | 110.6 | V205 V259 A260 S261 | D197-V205 PolarHBondContact N-O 3.03Å; D197-V205 PolarHBondContact O-N 2.91Å; D197-V259 HydrophobicContact CB-CG2 4.01Å; D197-A260 WeakPolarHBondContact OD2-CA 3.32Å; D197-S261 PolarHBondContact OD2-N 2.98Å; D197-S261 VanDerWaalsContact OD2-N 3.16Å; D197-S261 PolarHBondContact OD2-OG 2.87Å |
| 198 | I | 93.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.6 | 178.1 | -169.5 | 170.8 | 0 | 0 | 0 | 111.4 | V122 L204 V223 | V122-I198 HydrophobicContact CB-CD1 3.82Å; V122-I198 HydrophobicContact CG1-CD1 3.39Å; V122-I198 HydrophobicContact CG2-CD1 4.12Å; I198-L204 HydrophobicContact CB-CD2 4.22Å; I198-L204 HydrophobicContact CD1-CD2 4.02Å; I198-L204 HydrophobicContact CG1-CD2 4.12Å; I198-V223 HydrophobicContact CD1-CG2 4.39Å |
| 199 | T | 91.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | trans | -73.8 | 156.8 | 174.3 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | D201 G202 R203 V205 T270 Y272 | T199-D201 WeakPolarHBondContact CB-OD1 3.37Å; T199-D201 PolarHBondContact O-N 3.33Å; T199-D201 VanDerWaalsContact O-N 3.16Å; T199-D201 PolarHBondContact OG1-OD1 2.93Å; T199-G202 PolarHBondContact O-N 3.43Å; T199-R203 HydrophobicContact CG2-CB 4.42Å; T199-R203 PolarHBondContact N-O 2.87Å; T199-R203 WeakPolarHBondContact OG1-CA 3.44Å; T199-R203 VanDerWaalsContact OG1-CB 3.29Å; T199-R203 WeakPolarHBondContact OG1-CB 3.44Å; T199-R203 PolarHBondContact OG1-N 3.19Å; T199-R203 PolarHBondContact OG1-O 2.84Å; T199-V205 HydrophobicContact CG2-CG2 4.01Å; T199-T270 HydrophobicContact CG2-CG2 3.67Å; T199-Y272 HydrophobicContact CG2-CD1 4.47Å; T199-Y272 HydrophobicContact CG2-CE1 3.78Å | ||
| 200 | K | 84.3 | Confident | 94.7 | Very high | 198 Ų | 198 | 26.1 Ų | 26.1 | 86% | 0.861 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.6 | 177.4 | -67.5 | 176.2 | -178.5 | 166.4 | 0 | 113.2 | G202 | K200-G202 VanDerWaalsContact C-N 3.3Š|
| 201 | D | 83.2 | Confident | 94.6 | Very high | 100 Ų | 100 | 26.1 Ų | 26.1 | 54% | 0.535 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 3.9 | 176.3 | 60.1 | -59.3 | 0 | 0 | 0 | 114.2 | T199 R203 T270 | T199-D201 WeakPolarHBondContact CB-OD1 3.37Å; T199-D201 PolarHBondContact O-N 3.33Å; T199-D201 VanDerWaalsContact O-N 3.16Å; T199-D201 PolarHBondContact OG1-OD1 2.93Å; D201-R203 VanDerWaalsContact OD2-CD 3.27Å; D201-R203 WeakPolarHBondContact OD2-CD 3.39Å; D201-R203 WeakPolarHBondContact OD2-CG 3.4Å; D201-T270 PolarHBondContact OD1-OG1 3.44Å |
| 202 | G | 85.8 | Confident | 94.4 | Very high | 26 Ų | 26 | 24.5 Ų | 24.5 | 27% | 0.268 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 80.4 | 29.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | T199 K200 V223 | T199-G202 PolarHBondContact O-N 3.43Å; K200-G202 VanDerWaalsContact C-N 3.3Å; G202-V223 WeakPolarHBondContact O-CB 3.25Å; G202-V223 WeakPolarHBondContact O-CG2 3.34Å; G202-V223 PolarHBondContact O-N 2.91Å; G202-V223 VanDerWaalsContact O-N 3.15Å |
| 203 | R | 91.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 28.4 Ų | 28.4 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.6 | 166.6 | -57.7 | -178.6 | 62.2 | 78 | 6.4 | 110.5 | T199 D201 T220 V221 G241 H243 | T199-R203 HydrophobicContact CG2-CB 4.42Å; T199-R203 PolarHBondContact N-O 2.87Å; T199-R203 WeakPolarHBondContact OG1-CA 3.44Å; T199-R203 VanDerWaalsContact OG1-CB 3.29Å; T199-R203 WeakPolarHBondContact OG1-CB 3.44Å; T199-R203 PolarHBondContact OG1-N 3.19Å; T199-R203 PolarHBondContact OG1-O 2.84Å; D201-R203 VanDerWaalsContact OD2-CD 3.27Å; D201-R203 WeakPolarHBondContact OD2-CD 3.39Å; D201-R203 WeakPolarHBondContact OD2-CG 3.4Å; R203-T220 PolarHBondContact NH2-OG1 3.16Å; R203-V221 CarbonylContact C-O 3.57Å; R203-V221 WeakPolarHBondContact CA-O 3.49Å; R203-G241 PolarHBondContact NH2-O 2.92Å; R203-H243 PolarHBondContact NH2-CD2 3.36Å |
| 204 | L | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143.6 | 172.4 | -63.1 | -179.5 | 0 | 0 | 0 | 110.2 | V122 L128 I198 T220 V221 V223 I226 | V122-L204 HydrophobicContact CG2-CD2 4.08Å; L128-L204 HydrophobicContact CD1-CD1 4Å; L128-L204 HydrophobicContact CD2-CD1 4.02Å; L128-L204 HydrophobicContact CD2-CD2 4.01Å; I198-L204 HydrophobicContact CB-CD2 4.22Å; I198-L204 HydrophobicContact CD1-CD2 4.02Å; I198-L204 HydrophobicContact CG1-CD2 4.12Å; L204-T220 WeakPolarHBondContact O-CA 3.33Å; L204-T220 WeakPolarHBondContact O-CB 3.42Å; L204-V221 HydrophobicContact CB-CG1 4.22Å; L204-V221 PolarHBondContact N-O 3.16Å; L204-V221 PolarHBondContact O-N 2.99Å; L204-V221 VanDerWaalsContact O-N 3.13Å; L204-V223 HydrophobicContact CD1-CG2 4.43Å; L204-V223 HydrophobicContact CD2-CG2 4.16Å; L204-V223 HydrophobicContact CG-CG2 3.89Å; L204-I226 HydrophobicContact CD1-CD1 3.58Å |
| 205 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.1 | 172.6 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | A196 D197 T199 V218 T220 V259 Y272 | A196-V205 CarbonylContact C-O 3.44Å; A196-V205 WeakPolarHBondContact CA-O 3.22Å; D197-V205 PolarHBondContact N-O 3.03Å; D197-V205 PolarHBondContact O-N 2.91Å; T199-V205 HydrophobicContact CG2-CG2 4.01Å; V205-V218 HydrophobicContact CG1-CG1 3.85Å; V205-T220 HydrophobicContact CB-CG2 4.39Å; V205-T220 HydrophobicContact CG1-CG2 4.15Å; V205-T220 HydrophobicContact CG2-CG2 4.12Å; V205-V259 HydrophobicContact CG1-CB 4.08Å; V205-V259 HydrophobicContact CG1-CG1 4.24Å; V205-V259 HydrophobicContact CG1-CG2 4.4Å; V205-Y272 HydrophobicContact CB-CD1 4.49Å; V205-Y272 HydrophobicContact CG1-CD1 4.18Å; V205-Y272 HydrophobicContact CG1-CG 4.4Å; V205-Y272 HydrophobicContact CG2-CD1 3.46Å; V205-Y272 VanDerWaalsContact CG2-CD1 3.46Å; V205-Y272 HydrophobicContact CG2-CE1 3.53Å; V205-Y272 HydrophobicContact CG2-CG 4.4Å |
| 206 | L | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.3 | -176.6 | -57.2 | -179.6 | 0 | 0 | 0 | 110.4 | L128 F166 V192 S195 A196 V218 I219 | L128-L206 HydrophobicContact CD2-CD2 4.11Å; F166-L206 HydrophobicContact CD1-CD1 3.74Å; F166-L206 HydrophobicContact CE1-CD1 3.63Å; V192-L206 HydrophobicContact CG2-CB 4.01Å; V192-L206 HydrophobicContact CG2-CD1 3.89Å; S195-L206 WeakPolarHBondContact O-CA 3.09Å; A196-L206 HydrophobicContact CB-CD2 3.63Å; L206-V218 WeakPolarHBondContact O-CA 3.04Å; L206-I219 PolarHBondContact N-O 3.13Å; L206-I219 PolarHBondContact O-N 2.97Å |
| 207 | G | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G193 F194 S195 G256 | G193-G207 PolarHBondContact N-O 3.48Å; F194-G207 PolarHBondContact N-O 2.92Å; S195-G207 PolarHBondContact O-N 2.89Å; S195-G207 WeakPolarHBondContact OG-CA 3.25Å; G207-G256 VanDerWaalsContact CA-O 3.25Å; G207-G256 WeakPolarHBondContact CA-O 3.37Å |
| 208 | A | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 71.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | C190 V192 G210 S211 G216 Q217 I219 | C190-A208 CarbonylContact O-C 3.49Å; C190-A208 WeakPolarHBondContact O-CA 3.38Å; C190-A208 VanDerWaalsContact O-CB 3.28Å; C190-A208 WeakPolarHBondContact O-CB 3.05Å; C190-A208 WeakPolarHBondContact SG-CB 3.35Å; V192-A208 HydrophobicContact CB-CB 4.34Å; A208-G210 VanDerWaalsContact C-N 3.27Å; A208-G210 PolarHBondContact O-N 2.85Å; A208-S211 PolarHBondContact O-N 3.06Å; A208-S211 PolarHBondContact O-OG 2.61Å; A208-G216 CarbonylContact O-C 3.34Å; A208-G216 VanDerWaalsContact O-CA 3.27Å; A208-G216 WeakPolarHBondContact O-CA 3.42Å; A208-Q217 HydrophobicContact CB-CB 4.33Å; A208-Q217 PolarHBondContact N-O 3.12Å; A208-Q217 PolarHBondContact O-N 2.81Å; A208-I219 HydrophobicContact CB-CD1 4.43Å |
| 209 | P | 97.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.032 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.2 | -167 | 25.8 | -34.7 | 0 | 0 | 0 | 114.8 | F194 F214 G216 Y254 R255 | F194-P209 HydrophobicContact CB-CG 3.86Å; F194-P209 HydrophobicContact CD1-CG 4.02Å; F194-P209 HydrophobicContact CD2-CG 3.87Å; F194-P209 HydrophobicContact CE2-CG 4.45Å; F194-P209 HydrophobicContact CG-CG 3.64Å; P209-F214 CarbonylContact O-C 3.49Å; P209-F214 WeakPolarHBondContact O-CA 3.24Å; P209-G216 WeakPolarHBondContact O-CA 3.28Å; P209-G216 PolarHBondContact O-N 3.13Å; P209-Y254 HydrophobicContact CB-CD1 4.47Å; P209-R255 WeakPolarHBondContact CA-O 3.05Å |
| 210 | G | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 0.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y189 C190 A208 F214 | Y189-G210 CarbonylContact O-C 3.25Å; Y189-G210 WeakPolarHBondContact O-CA 3.39Å; C190-G210 PolarHBondContact O-N 3.18Å; A208-G210 VanDerWaalsContact C-N 3.27Å; A208-G210 PolarHBondContact O-N 2.85Å; G210-F214 PolarHBondContact O-N 3.37Å |
| 211 | S | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.7 | 144.2 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 112 | C190 A208 F214 Q215 G216 | C190-S211 WeakPolarHBondContact CA-OG 3.48Å; C190-S211 WeakPolarHBondContact CB-OG 3.46Å; A208-S211 PolarHBondContact O-N 3.06Å; A208-S211 PolarHBondContact O-OG 2.61Å; S211-F214 PolarHBondContact O-N 3.16Å; S211-Q215 PolarHBondContact O-N 2.76Å; S211-Q215 VanDerWaalsContact O-N 3.13Å; S211-G216 PolarHBondContact O-N 2.76Å |
| 212 | F | 94.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 2% | 0.022 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | 53.9 | 63.9 | 174.4 | -37 | -58.3 | 0 | 0 | 0 | 113.5 | N185 D186 Q187 F214 Q215 Q217 E247 | N185-F212 HydrophobicContact CB-CE1 4.32Å; D186-F212 WeakPolarHBondContact O-CA 3.42Å; D186-F212 PolarHBondContact O-N 3.4Å; Q187-F212 HydrophobicContact CG-CD1 4.3Å; Q187-F212 HydrophobicContact CG-CE1 3.59Å; Q187-F212 HydrophobicContact CG-CZ 4.05Å; F212-F214 VanDerWaalsContact C-N 3.3Å; F212-F214 PolarHBondContact O-N 2.81Å; F212-Q215 HydrophobicContact CB-CB 4.16Å; F212-Q215 HydrophobicContact CB-CG 4.42Å; F212-Q215 VanDerWaalsContact O-CB 3.32Å; F212-Q215 WeakPolarHBondContact O-CB 3.39Å; F212-Q215 WeakPolarHBondContact O-CG 3.25Å; F212-Q215 PolarHBondContact O-N 3.28Å; F212-Q215 VanDerWaalsContact O-N 3.16Å; F212-Q215 PolarHBondContact O-NE2 2.84Å; F212-Q217 HydrophobicContact CE2-CB 4.1Å; F212-Q217 HydrophobicContact CE2-CG 4.36Å; F212-E247 HydrophobicContact CB-CB 4.35Å; F212-E247 HydrophobicContact CB-CG 3.78Å; F212-E247 HydrophobicContact CD1-CB 4.31Å; F212-E247 HydrophobicContact CD1-CG 4.44Å; F212-E247 HydrophobicContact CD2-CB 3.94Å; F212-E247 HydrophobicContact CD2-CG 4.28Å; F212-E247 HydrophobicContact CE2-CB 4.28Å; F212-E247 HydrophobicContact CG-CB 3.95Å; F212-E247 HydrophobicContact CG-CG 3.93Å |
| 213 | Y | 92 | Very high | 95.1 | Very high | 82 Ų | 82 | 10.7 Ų | 10.7 | 32% | 0.322 | 5% | 0.048 | S | C | . | . | H | α-helix | trans | 49.4 | 52.6 | -172.9 | -73.5 | -86.8 | 0 | 0 | 0 | 112.2 | N183 Q215 Y251 D252 | N183-Y213 HydrophobicContact CB-CD2 4.49Å; N183-Y213 HydrophobicContact CB-CE2 3.24Å; N183-Y213 WeakPolarHBondContact CB-OH 3.48Å; N183-Y213 PolarHBondContact ND2-OH 3.39Å; Y213-Q215 PolarHBondContact O-N 3.45Å; Y213-Y251 VanDerWaalsContact CB-CD1 3.41Å; Y213-Y251 HydrophobicContact CD2-CE1 4.27Å; Y213-Y251 HydrophobicContact CG-CD1 4.25Å; Y213-Y251 HydrophobicContact CG-CE1 4.33Å; Y213-D252 PolarHBondContact O-N 2.86Å; Y213-D252 VanDerWaalsContact O-N 3.11Å |
| 214 | F | 95.1 | Very high | 95 | Very high | 65 Ų | 65 | 11.8 Ų | 11.8 | 29% | 0.285 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | 60.2 | 15.3 | 175.7 | -50.9 | -81.8 | 0 | 0 | 0 | 115 | P209 G210 S211 F212 G216 D252 L253 Y254 | P209-F214 CarbonylContact O-C 3.49Å; P209-F214 WeakPolarHBondContact O-CA 3.24Å; G210-F214 PolarHBondContact O-N 3.37Å; S211-F214 PolarHBondContact O-N 3.16Å; F212-F214 VanDerWaalsContact C-N 3.3Å; F212-F214 PolarHBondContact O-N 2.81Å; F214-G216 PolarHBondContact O-N 2.99Å; F214-D252 WeakPolarHBondContact CB-OD1 3.44Å; F214-D252 WeakPolarHBondContact CD2-OD1 3.07Å; F214-D252 CarbonylContact O-C 3.36Å; F214-D252 WeakPolarHBondContact O-CA 3.45Å; F214-D252 PolarHBondContact O-N 2.82Å; F214-L253 PolarHBondContact O-N 3.03Å; F214-Y254 HydrophobicContact CB-CD1 4.01Å; F214-Y254 HydrophobicContact CB-CE1 3.71Å; F214-Y254 HydrophobicContact CD1-CE1 4.03Å; F214-Y254 HydrophobicContact CG-CE1 4.17Å; F214-Y254 PolarHBondContact O-N 2.83Å |
| 215 | Q | 94.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -40 | 162.9 | -76.4 | 175.6 | 37 | 0 | 0 | 110.6 | S211 F212 Y213 D250 Y251 R255 | S211-Q215 PolarHBondContact O-N 2.76Å; S211-Q215 VanDerWaalsContact O-N 3.13Å; F212-Q215 HydrophobicContact CB-CB 4.16Å; F212-Q215 HydrophobicContact CB-CG 4.42Å; F212-Q215 VanDerWaalsContact O-CB 3.32Å; F212-Q215 WeakPolarHBondContact O-CB 3.39Å; F212-Q215 WeakPolarHBondContact O-CG 3.25Å; F212-Q215 PolarHBondContact O-N 3.28Å; F212-Q215 VanDerWaalsContact O-N 3.16Å; F212-Q215 PolarHBondContact O-NE2 2.84Å; Y213-Q215 PolarHBondContact O-N 3.45Å; Q215-D250 WeakPolarHBondContact CG-O 3.34Å; Q215-Y251 HydrophobicContact CG-CD1 4.17Å; Q215-R255 WeakPolarHBondContact O-CB 3.27Å; Q215-R255 PolarHBondContact O-N 3.03Å |
| 216 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | 83.9 | 164.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A208 P209 S211 F214 R255 | A208-G216 CarbonylContact O-C 3.34Å; A208-G216 VanDerWaalsContact O-CA 3.27Å; A208-G216 WeakPolarHBondContact O-CA 3.42Å; P209-G216 WeakPolarHBondContact O-CA 3.28Å; P209-G216 PolarHBondContact O-N 3.13Å; S211-G216 PolarHBondContact O-N 2.76Å; F214-G216 PolarHBondContact O-N 2.99Å; G216-R255 CarbonylContact C-O 3.28Å; G216-R255 WeakPolarHBondContact CA-O 3.07Å |
| 217 | Q | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.7 | -176.4 | 178.8 | 172.1 | 47.6 | 0 | 0 | 111 | A208 F212 I219 Q244 S245 R255 | A208-Q217 HydrophobicContact CB-CB 4.33Å; A208-Q217 PolarHBondContact N-O 3.12Å; A208-Q217 PolarHBondContact O-N 2.81Å; F212-Q217 HydrophobicContact CE2-CB 4.1Å; F212-Q217 HydrophobicContact CE2-CG 4.36Å; Q217-I219 HydrophobicContact CG-CG1 3.98Å; Q217-Q244 VanDerWaalsContact NE2-CB 3.26Å; Q217-S245 WeakPolarHBondContact CA-OG 3.36Å; Q217-S245 PolarHBondContact NE2-O 2.86Å; Q217-R255 PolarHBondContact N-O 2.95Å; Q217-R255 VanDerWaalsContact N-O 3.11Å |
| 218 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.3 | 163.7 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | V205 L206 T220 Q244 S245 R255 V259 V274 L297 | V205-V218 HydrophobicContact CG1-CG1 3.85Å; L206-V218 WeakPolarHBondContact O-CA 3.04Å; V218-T220 HydrophobicContact CG1-CG2 4.37Å; V218-Q244 WeakPolarHBondContact O-CA 2.98Å; V218-S245 PolarHBondContact N-OG 2.84Å; V218-S245 VanDerWaalsContact N-OG 3.13Å; V218-S245 PolarHBondContact O-N 3.21Å; V218-R255 HydrophobicContact CG2-CG 4.49Å; V218-V259 HydrophobicContact CG2-CG1 4.32Å; V218-V274 HydrophobicContact CB-CG2 4.42Å; V218-V274 HydrophobicContact CG1-CG2 4.38Å; V218-V274 HydrophobicContact CG2-CB 4.2Å; V218-V274 HydrophobicContact CG2-CG1 3.42Å; V218-V274 VanDerWaalsContact CG2-CG1 3.42Å; V218-V274 HydrophobicContact CG2-CG2 3.67Å; V218-L297 HydrophobicContact CB-CD1 4.4Å; V218-L297 HydrophobicContact CG1-CD1 4.26Å |
| 219 | I | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.6 | -175.6 | -48 | -174 | 0 | 0 | 0 | 108.3 | P168 V192 L206 A208 Q217 I242 H243 Q244 | P168-I219 HydrophobicContact CB-CD1 4.49Å; P168-I219 HydrophobicContact CG-CD1 3.71Å; P168-I219 HydrophobicContact CG-CG2 4.26Å; V192-I219 HydrophobicContact CG2-CD1 4.04Å; L206-I219 PolarHBondContact N-O 3.13Å; L206-I219 PolarHBondContact O-N 2.97Å; A208-I219 HydrophobicContact CB-CD1 4.43Å; Q217-I219 HydrophobicContact CG-CG1 3.98Å; I219-I242 HydrophobicContact CG2-CG2 3.75Å; I219-H243 CarbonylContact C-O 3.47Å; I219-H243 WeakPolarHBondContact CA-O 3.39Å; I219-Q244 HydrophobicContact CB-CG 4.39Å; I219-Q244 HydrophobicContact CG1-CG 4.06Å; I219-Q244 HydrophobicContact CG2-CG 4Å |
| 220 | T | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.1 | 174.3 | 82.9 | 0 | 0 | 0 | 0 | 112.2 | R203 L204 V205 V218 I242 H243 Y272 L297 | R203-T220 PolarHBondContact NH2-OG1 3.16Å; L204-T220 WeakPolarHBondContact O-CA 3.33Å; L204-T220 WeakPolarHBondContact O-CB 3.42Å; V205-T220 HydrophobicContact CB-CG2 4.39Å; V205-T220 HydrophobicContact CG1-CG2 4.15Å; V205-T220 HydrophobicContact CG2-CG2 4.12Å; V218-T220 HydrophobicContact CG1-CG2 4.37Å; T220-I242 CarbonylContact O-C 3.58Å; T220-I242 WeakPolarHBondContact O-CA 3.36Å; T220-H243 PolarHBondContact N-O 2.01Å; T220-H243 PolarHBondContact O-N 2.89Å; T220-Y272 HydrophobicContact CG2-CD1 4.46Å; T220-Y272 HydrophobicContact CG2-CD2 4.04Å; T220-Y272 HydrophobicContact CG2-CE1 4.18Å; T220-Y272 HydrophobicContact CG2-CE2 3.72Å; T220-Y272 HydrophobicContact CG2-CG 4.39Å; T220-L297 HydrophobicContact CG2-CD1 4.16Å |
| 221 | V | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 145.3 | -176.1 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | F166 R203 L204 I226 V239 I242 | F166-V221 HydrophobicContact CE1-CG1 3.78Å; F166-V221 HydrophobicContact CE2-CG1 4.2Å; F166-V221 HydrophobicContact CE2-CG2 4.42Å; F166-V221 HydrophobicContact CZ-CB 4.13Å; F166-V221 HydrophobicContact CZ-CG1 3.6Å; F166-V221 HydrophobicContact CZ-CG2 4.41Å; R203-V221 CarbonylContact C-O 3.57Å; R203-V221 WeakPolarHBondContact CA-O 3.49Å; L204-V221 HydrophobicContact CB-CG1 4.22Å; L204-V221 PolarHBondContact N-O 3.16Å; L204-V221 PolarHBondContact O-N 2.99Å; L204-V221 VanDerWaalsContact O-N 3.13Å; V221-I226 HydrophobicContact CG1-CD1 3.61Å; V221-I226 HydrophobicContact CG1-CG1 4.06Å; V221-I226 HydrophobicContact CG2-CG1 4.07Å; V221-V239 HydrophobicContact CG2-CG1 3.82Å; V221-I242 HydrophobicContact CB-CG1 4.33Å; V221-I242 HydrophobicContact CG2-CG1 4.03Å |
| 222 | G | 92.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 133.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | S224 D225 I226 | G222-S224 PolarHBondContact O-N 3.46Å; G222-D225 PolarHBondContact O-N 2.75Å; G222-I226 PolarHBondContact O-N 2.61Å |
| 223 | V | 91.7 | Very high | 87.3 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.1 | -37.7 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V122 L155 I198 G202 L204 D225 I226 I227 | V122-V223 HydrophobicContact CG1-CB 4.33Å; V122-V223 HydrophobicContact CG1-CG1 3.95Å; V122-V223 HydrophobicContact CG1-CG2 3.51Å; L155-V223 HydrophobicContact CD2-CG1 3.91Å; I198-V223 HydrophobicContact CD1-CG2 4.39Å; G202-V223 WeakPolarHBondContact O-CB 3.25Å; G202-V223 WeakPolarHBondContact O-CG2 3.34Å; G202-V223 PolarHBondContact O-N 2.91Å; G202-V223 VanDerWaalsContact O-N 3.15Å; L204-V223 HydrophobicContact CD1-CG2 4.43Å; L204-V223 HydrophobicContact CD2-CG2 4.16Å; L204-V223 HydrophobicContact CG-CG2 3.89Å; V223-D225 PolarHBondContact O-N 2.8Å; V223-I226 PolarHBondContact O-N 2.82Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 WeakPolarHBondContact O-CG1 3.47Å; V223-I227 PolarHBondContact O-N 3.38Å; V223-I227 VanDerWaalsContact O-N 3.14Å |
| 224 | S | 90.1 | Very high | 86.4 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63 | -27.9 | 178.6 | 78.8 | 0 | 0 | 0 | 0 | 113.9 | G222 K228 | G222-S224 PolarHBondContact O-N 3.46Å; S224-K228 VanDerWaalsContact O-CG 3.28Å; S224-K228 WeakPolarHBondContact O-CG 3.27Å; S224-K228 PolarHBondContact O-N 3.32Å |
| 225 | D | 91.3 | Very high | 85.8 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -82.6 | -32.5 | -178.4 | -60.9 | -43.7 | 0 | 0 | 0 | 111.5 | G222 V223 K228 S229 V239 A240 | G222-D225 PolarHBondContact O-N 2.75Å; V223-D225 PolarHBondContact O-N 2.8Å; D225-K228 PolarHBondContact O-N 3.42Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.39Å; D225-S229 PolarHBondContact O-N 2.84Å; D225-S229 VanDerWaalsContact O-N 3.12Å; D225-V239 HydrophobicContact CB-CG1 4.2Å; D225-A240 WeakPolarHBondContact CB-O 3.42Å |
| 226 | I | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 168.3 | -61.7 | 167.8 | 0 | 0 | 0 | 110.1 | L155 T164 F166 L204 V221 G222 V223 K228 S229 G230 V239 | L155-I226 HydrophobicContact CD2-CG2 4.19Å; T164-I226 HydrophobicContact CG2-CG2 3.97Å; F166-I226 HydrophobicContact CB-CD1 4.39Å; F166-I226 HydrophobicContact CB-CG2 4.22Å; F166-I226 HydrophobicContact CD1-CD1 4.29Å; F166-I226 HydrophobicContact CD2-CD1 4.16Å; F166-I226 HydrophobicContact CD2-CG1 3.82Å; F166-I226 HydrophobicContact CE2-CG1 4.19Å; F166-I226 HydrophobicContact CG-CD1 4.01Å; F166-I226 HydrophobicContact CG-CG1 4.16Å; L204-I226 HydrophobicContact CD1-CD1 3.58Å; V221-I226 HydrophobicContact CG1-CD1 3.61Å; V221-I226 HydrophobicContact CG1-CG1 4.06Å; V221-I226 HydrophobicContact CG2-CG1 4.07Å; G222-I226 PolarHBondContact O-N 2.61Å; V223-I226 PolarHBondContact O-N 2.82Å; I226-K228 VanDerWaalsContact C-N 3.27Å; I226-K228 PolarHBondContact O-N 3.37Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 VanDerWaalsContact O-N 3.08Å; I226-S229 PolarHBondContact O-OG 2.83Å; I226-G230 PolarHBondContact O-N 2.76Å; I226-V239 HydrophobicContact CG1-CG1 4.35Å |
| 227 | I | 88.9 | Confident | 84.8 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -39.5 | -179.4 | -65 | 163.2 | 0 | 0 | 0 | 110.9 | Y126 L155 V223 S229 G230 | Y126-I227 HydrophobicContact CD1-CD1 4.49Å; Y126-I227 HydrophobicContact CD2-CD1 4.49Å; Y126-I227 HydrophobicContact CE1-CD1 3.82Å; Y126-I227 HydrophobicContact CE1-CG1 4.4Å; Y126-I227 HydrophobicContact CE2-CD1 3.84Å; Y126-I227 VanDerWaalsContact CZ-CD1 3.48Å; L155-I227 HydrophobicContact CD2-CD1 4.42Å; L155-I227 HydrophobicContact CD2-CG1 3.93Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 WeakPolarHBondContact O-CG1 3.47Å; V223-I227 PolarHBondContact O-N 3.38Å; V223-I227 VanDerWaalsContact O-N 3.14Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.59Å; I227-G230 PolarHBondContact O-N 2.74Å |
| 228 | K | 88 | Confident | 84.3 | Confident | 129 Ų | 129 | 51.4 Ų | 51.4 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.9 | -32.9 | 176.4 | -69.7 | 167.3 | -160.2 | 155.9 | 0 | 112.5 | S224 D225 I226 G230 | S224-K228 VanDerWaalsContact O-CG 3.28Å; S224-K228 WeakPolarHBondContact O-CG 3.27Å; S224-K228 PolarHBondContact O-N 3.32Å; D225-K228 PolarHBondContact O-N 3.42Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.39Å; I226-K228 VanDerWaalsContact C-N 3.27Å; I226-K228 PolarHBondContact O-N 3.37Å; K228-G230 VanDerWaalsContact C-N 3.31Å |
| 229 | S | 83.7 | Confident | 84 | Confident | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.9 | -25.3 | 179.9 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | D225 I226 I227 L231 S232 Q237 Y238 V239 | D225-S229 PolarHBondContact O-N 2.84Å; D225-S229 VanDerWaalsContact O-N 3.12Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 VanDerWaalsContact O-N 3.08Å; I226-S229 PolarHBondContact O-OG 2.83Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.59Å; S229-L231 PolarHBondContact O-N 3.5Å; S229-S232 WeakPolarHBondContact O-CB 3.44Å; S229-S232 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-OG 3.26Å; S229-Q237 PolarHBondContact OG-OE1 2.78Å; S229-Q237 VanDerWaalsContact OG-OE1 3.11Å; S229-Y238 WeakPolarHBondContact CB-O 3.24Å; S229-V239 WeakPolarHBondContact OG-CG2 3.26Å |
| 230 | G | 71.1 | Confident | 83.6 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -10.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I226 I227 K228 S232 | I226-G230 PolarHBondContact O-N 2.76Å; I227-G230 PolarHBondContact O-N 2.74Å; K228-G230 VanDerWaalsContact C-N 3.31Å; G230-S232 VanDerWaalsContact C-N 3.31Å |
| 231 | L | 64.1 | Low | 83.2 | Confident | 153 Ų | 153 | 56.2 Ų | 56.2 | 80% | 0.801 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.6 | 172.5 | -62.2 | 171.4 | 0 | 0 | 0 | 113.5 | S229 | S229-L231 PolarHBondContact O-N 3.5Š|
| 232 | S | 64.2 | Low | 83.1 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | trans | -90.4 | 120.1 | -179.7 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | S229 G230 G234 | S229-S232 WeakPolarHBondContact O-CB 3.44Å; S229-S232 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-OG 3.26Å; G230-S232 VanDerWaalsContact C-N 3.31Å; S232-G234 PolarHBondContact O-N 3.04Å | ||
| 233 | N | 63.4 | Low | 83 | Confident | 175 Ų | 175 | 59.6 Ų | 59.6 | 94% | 0.936 | 34% | 0.338 | S | S | * | . | trans | -86.3 | 89.3 | 175 | -73.2 | -13.3 | 0 | 0 | 0 | 109.3 | ||||
| 234 | G | 74.4 | Confident | 82.9 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -161 | 156 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S232 I236 | S232-G234 PolarHBondContact O-N 3.04Å; G234-I236 PolarHBondContact O-N 2.82Å |
| 235 | P | 82.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -71.5 | -18.5 | -177 | 31.2 | -36.7 | 0 | 0 | 0 | 113.1 | H99 F106 W136 R170 | H99-P235 HydrophobicContact CB-CB 4.25Å; F106-P235 HydrophobicContact CB-CB 4.06Å; F106-P235 HydrophobicContact CD1-CB 4.29Å; F106-P235 HydrophobicContact CD1-CG 4.15Å; F106-P235 HydrophobicContact CD2-CB 4.1Å; F106-P235 HydrophobicContact CD2-CG 3.62Å; F106-P235 HydrophobicContact CE1-CG 4.25Å; F106-P235 HydrophobicContact CE2-CG 3.78Å; F106-P235 HydrophobicContact CG-CB 3.88Å; F106-P235 HydrophobicContact CG-CG 3.82Å; F106-P235 HydrophobicContact CZ-CG 4.07Å; W136-P235 HydrophobicContact CH2-CB 4.15Å; R170-P235 PolarHBondContact NH1-O 2.83Å; R170-P235 VanDerWaalsContact NH1-O 3.13Å |
| 236 | I | 85.8 | Confident | 82.6 | Confident | 60 Ų | 60 | 61 Ų | 61 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -125.3 | 124.3 | 170.4 | -58.4 | 176.6 | 0 | 0 | 0 | 107.5 | F106 W136 R170 T172 G234 | F106-I236 HydrophobicContact CE1-CD1 4.32Å; W136-I236 HydrophobicContact CH2-CG1 4.18Å; W136-I236 HydrophobicContact CZ2-CD1 4.04Å; W136-I236 HydrophobicContact CZ2-CG1 3.88Å; R170-I236 HydrophobicContact CB-CD1 4.34Å; R170-I236 HydrophobicContact CB-CG1 4.09Å; T172-I236 HydrophobicContact CG2-CD1 3.39Å; G234-I236 PolarHBondContact O-N 2.82Å |
| 237 | Q | 84.1 | Confident | 82.1 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | trans | -92.2 | 134.3 | 179.8 | -64.2 | -172.2 | 1.6 | 0 | 0 | 111 | P165 S229 | P165-Q237 PolarHBondContact O-OE1 2.76Å; P165-Q237 VanDerWaalsContact O-OE1 3.1Å; S229-Q237 PolarHBondContact OG-OE1 2.78Å; S229-Q237 VanDerWaalsContact OG-OE1 3.11Å | ||
| 238 | Y | 84.8 | Confident | 81.5 | Confident | 192 Ų | 192 | 67.4 Ų | 67.4 | 75% | 0.753 | 37% | 0.367 | S | S | * | . | trans | -86.5 | 120.1 | 170.4 | -178.7 | -96.9 | 0 | 0 | 0 | 109.9 | S229 A240 | S229-Y238 WeakPolarHBondContact CB-O 3.24Å; Y238-A240 HydrophobicContact CE1-CB 4.46Å | ||
| 239 | V | 88.1 | Confident | 80.8 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | trans | -116.8 | 119.6 | 178.7 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | F166 V221 D225 I226 S229 I242 | F166-V239 HydrophobicContact CD2-CG2 3.97Å; F166-V239 HydrophobicContact CE2-CB 4.21Å; F166-V239 HydrophobicContact CE2-CG1 4.18Å; F166-V239 HydrophobicContact CE2-CG2 3.9Å; V221-V239 HydrophobicContact CG2-CG1 3.82Å; D225-V239 HydrophobicContact CB-CG1 4.2Å; I226-V239 HydrophobicContact CG1-CG1 4.35Å; S229-V239 WeakPolarHBondContact OG-CG2 3.26Å; V239-I242 HydrophobicContact CB-CD1 3.85Å; V239-I242 HydrophobicContact CB-CG1 4.18Å; V239-I242 HydrophobicContact CG1-CD1 4.47Å; V239-I242 HydrophobicContact CG1-CG1 4.29Å | ||
| 240 | A | 87.1 | Confident | 80.6 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 155.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | D225 Y238 I242 | D225-A240 WeakPolarHBondContact CB-O 3.42Å; Y238-A240 HydrophobicContact CE1-CB 4.46Å; A240-I242 VanDerWaalsContact C-N 3.34Å; A240-I242 PolarHBondContact O-N 2.92Å |
| 241 | G | 86.4 | Confident | 81.5 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 15 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R203 | R203-G241 PolarHBondContact NH2-O 2.92Š|
| 242 | I | 90.7 | Very high | 82.9 | Confident | 47 Ų | 47 | 71 Ų | 71 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | trans | -67.3 | 135.1 | 168.3 | -65 | 171.3 | 0 | 0 | 0 | 109.4 | F166 P168 I219 T220 V221 V239 A240 Q244 | F166-I242 HydrophobicContact CE2-CD1 4.06Å; F166-I242 HydrophobicContact CE2-CG1 4.36Å; F166-I242 HydrophobicContact CZ-CD1 4.23Å; F166-I242 HydrophobicContact CZ-CG1 4.32Å; P168-I242 HydrophobicContact CB-CD1 4.15Å; I219-I242 HydrophobicContact CG2-CG2 3.75Å; T220-I242 CarbonylContact O-C 3.58Å; T220-I242 WeakPolarHBondContact O-CA 3.36Å; V221-I242 HydrophobicContact CB-CG1 4.33Å; V221-I242 HydrophobicContact CG2-CG1 4.03Å; V239-I242 HydrophobicContact CB-CD1 3.85Å; V239-I242 HydrophobicContact CB-CG1 4.18Å; V239-I242 HydrophobicContact CG1-CD1 4.47Å; V239-I242 HydrophobicContact CG1-CG1 4.29Å; A240-I242 VanDerWaalsContact C-N 3.34Å; A240-I242 PolarHBondContact O-N 2.92Å; I242-Q244 HydrophobicContact CG2-CG 3.84Å | ||
| 243 | H | 91.3 | Very high | 84.4 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 14% | 0.139 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.5 | 168 | -56.9 | -33.2 | 0 | 0 | 0 | 109.3 | R203 I219 T220 G295 L297 | R203-H243 PolarHBondContact NH2-CD2 3.36Å; I219-H243 CarbonylContact C-O 3.47Å; I219-H243 WeakPolarHBondContact CA-O 3.39Å; T220-H243 PolarHBondContact N-O 2.01Å; T220-H243 PolarHBondContact O-N 2.89Å; H243-G295 PolarHBondContact CE1-N 3Å; H243-G295 VanDerWaalsContact CE1-N 3.28Å; H243-G295 WeakPolarHBondContact ND1-CA 2.95Å; H243-G295 PolarHBondContact ND1-N 3.46Å; H243-L297 HydrophobicContact CB-CD2 4.22Å; H243-L297 HydrophobicContact CB-CG 4.38Å |
| 244 | Q | 90.9 | Very high | 86 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.1 | -170.9 | -88.7 | -177 | 8 | 0 | 0 | 109.8 | Q217 V218 I219 I242 L297 | Q217-Q244 VanDerWaalsContact NE2-CB 3.26Å; V218-Q244 WeakPolarHBondContact O-CA 2.98Å; I219-Q244 HydrophobicContact CB-CG 4.39Å; I219-Q244 HydrophobicContact CG1-CG 4.06Å; I219-Q244 HydrophobicContact CG2-CG 4Å; I242-Q244 HydrophobicContact CG2-CG 3.84Å; Q244-L297 PolarHBondContact O-N 2.81Å |
| 245 | S | 89.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 143.6 | 165.8 | 68.2 | 0 | 0 | 0 | 0 | 110 | Q217 V218 R255 | Q217-S245 WeakPolarHBondContact CA-OG 3.36Å; Q217-S245 PolarHBondContact NE2-O 2.86Å; V218-S245 PolarHBondContact N-OG 2.84Å; V218-S245 VanDerWaalsContact N-OG 3.13Å; V218-S245 PolarHBondContact O-N 3.21Å; S245-R255 PolarHBondContact OG-NH1 2.75Å |
| 246 | N | 83.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 158.4 | -179.3 | -57.2 | -21.3 | 0 | 0 | 0 | 112.1 | Q248 R255 S296 | N246-Q248 PolarHBondContact O-N 2.97Å; N246-R255 PolarHBondContact O-NH1 2.76Å; N246-S296 PolarHBondContact ND2-OG 3.22Å; N246-S296 PolarHBondContact OD1-OG 2.84Å |
| 247 | E | 82 | Confident | 88.4 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 117.8 | 165.2 | -172.7 | 178.3 | 177.2 | 0 | 0 | 109.1 | N185 F212 | N185-E247 PolarHBondContact N-OE2 3.47Å; F212-E247 HydrophobicContact CB-CB 4.35Å; F212-E247 HydrophobicContact CB-CG 3.78Å; F212-E247 HydrophobicContact CD1-CB 4.31Å; F212-E247 HydrophobicContact CD1-CG 4.44Å; F212-E247 HydrophobicContact CD2-CB 3.94Å; F212-E247 HydrophobicContact CD2-CG 4.28Å; F212-E247 HydrophobicContact CE2-CB 4.28Å; F212-E247 HydrophobicContact CG-CB 3.95Å; F212-E247 HydrophobicContact CG-CG 3.93Å |
| 248 | Q | 75.3 | Confident | 89.1 | Confident | 140 Ų | 140 | 59.6 Ų | 59.6 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | trans | -162.7 | 127.9 | -176.1 | -172.2 | 177.3 | 3.1 | 0 | 0 | 110.6 | N246 R255 | N246-Q248 PolarHBondContact O-N 2.97Å; Q248-R255 PolarHBondContact O-NH2 3.47Å | ||
| 249 | G | 73.3 | Confident | 89.8 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 105.6 | -166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 250 | D | 81.2 | Confident | 90.2 | Very high | 128 Ų | 128 | 51 Ų | 51 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -75.6 | 167.4 | 175.1 | -65.3 | -36.3 | 0 | 0 | 0 | 111.7 | Q215 L253 | Q215-D250 WeakPolarHBondContact CG-O 3.34Å; D250-L253 HydrophobicContact CB-CD2 4.31Å; D250-L253 WeakPolarHBondContact O-CD1 3.33Å; D250-L253 WeakPolarHBondContact O-CG 3.49Å |
| 251 | Y | 89.1 | Confident | 90.6 | Very high | 131 Ų | 131 | 49.8 Ų | 49.8 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -77.4 | 167.5 | 178.4 | -55.9 | -55.1 | 0 | 0 | 0 | 112.9 | Y213 Q215 L253 | Y213-Y251 VanDerWaalsContact CB-CD1 3.41Å; Y213-Y251 HydrophobicContact CD2-CE1 4.27Å; Y213-Y251 HydrophobicContact CG-CD1 4.25Å; Y213-Y251 HydrophobicContact CG-CE1 4.33Å; Q215-Y251 HydrophobicContact CG-CD1 4.17Å; Y251-L253 VanDerWaalsContact C-N 3.35Å; Y251-L253 PolarHBondContact O-N 3Å |
| 252 | D | 93.8 | Very high | 91 | Very high | 81 Ų | 81 | 48.3 Ų | 48.3 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 63.2 | 28.2 | 171.4 | -51.5 | -60.8 | 0 | 0 | 0 | 116.5 | Y213 F214 N278 | Y213-D252 PolarHBondContact O-N 2.86Å; Y213-D252 VanDerWaalsContact O-N 3.11Å; F214-D252 WeakPolarHBondContact CB-OD1 3.44Å; F214-D252 WeakPolarHBondContact CD2-OD1 3.07Å; F214-D252 CarbonylContact O-C 3.36Å; F214-D252 WeakPolarHBondContact O-CA 3.45Å; F214-D252 PolarHBondContact O-N 2.82Å; D252-N278 WeakPolarHBondContact O-CB 3.45Å; D252-N278 PolarHBondContact O-ND2 2.96Å |
| 253 | L | 95.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | trans | -81.1 | -25.9 | -178.2 | -48.1 | 175.6 | 0 | 0 | 0 | 114.3 | F214 D250 Y251 V276 N278 | F214-L253 PolarHBondContact O-N 3.03Å; D250-L253 HydrophobicContact CB-CD2 4.31Å; D250-L253 WeakPolarHBondContact O-CD1 3.33Å; D250-L253 WeakPolarHBondContact O-CG 3.49Å; Y251-L253 VanDerWaalsContact C-N 3.35Å; Y251-L253 PolarHBondContact O-N 3Å; L253-V276 HydrophobicContact CB-CG1 3.68Å; L253-V276 VanDerWaalsContact O-CG1 3.24Å; L253-V276 WeakPolarHBondContact O-CG1 3.43Å; L253-N278 PolarHBondContact O-N 2.81Å | ||
| 254 | Y | 97.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | trans | 58.3 | 43.5 | -176.4 | -53.9 | -33.2 | 0 | 0 | 0 | 115.1 | P209 F214 G256 Y257 N278 | P209-Y254 HydrophobicContact CB-CD1 4.47Å; F214-Y254 HydrophobicContact CB-CD1 4.01Å; F214-Y254 HydrophobicContact CB-CE1 3.71Å; F214-Y254 HydrophobicContact CD1-CE1 4.03Å; F214-Y254 HydrophobicContact CG-CE1 4.17Å; F214-Y254 PolarHBondContact O-N 2.83Å; Y254-G256 PolarHBondContact O-N 3.47Å; Y254-Y257 WeakPolarHBondContact O-CB 3.34Å; Y254-Y257 PolarHBondContact O-N 2.04Å; Y254-Y257 VanDerWaalsContact O-N 3.09Å; Y254-N278 HydrophobicContact CD2-CB 4.28Å; Y254-N278 VanDerWaalsContact CD2-ND2 3.3Å; Y254-N278 WeakPolarHBondContact CD2-ND2 3.48Å; Y254-N278 WeakPolarHBondContact CE2-ND2 3.29Å | ||
| 255 | R | 97.4 | Very high | 91 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -59.2 | 129.7 | 174.5 | 179.5 | -166 | -55.3 | 174.7 | 9.3 | 111.2 | P209 Q215 G216 Q217 V218 S245 N246 Q248 V274 V276 Y289 | P209-R255 WeakPolarHBondContact CA-O 3.05Å; Q215-R255 WeakPolarHBondContact O-CB 3.27Å; Q215-R255 PolarHBondContact O-N 3.03Å; G216-R255 CarbonylContact C-O 3.28Å; G216-R255 WeakPolarHBondContact CA-O 3.07Å; Q217-R255 PolarHBondContact N-O 2.95Å; Q217-R255 VanDerWaalsContact N-O 3.11Å; V218-R255 HydrophobicContact CG2-CG 4.49Å; S245-R255 PolarHBondContact OG-NH1 2.75Å; N246-R255 PolarHBondContact O-NH1 2.76Å; Q248-R255 PolarHBondContact O-NH2 3.47Å; R255-V274 HydrophobicContact CG-CG1 3.98Å; R255-V276 HydrophobicContact CB-CG1 4.04Å; R255-V276 HydrophobicContact CB-CG2 4.08Å; R255-V276 HydrophobicContact CG-CG2 4.03Å; R255-Y289 VanDerWaalsContact CD-OH 3.3Å; R255-Y289 WeakPolarHBondContact CD-OH 3.46Å; R255-Y289 PolarHBondContact NE-OH 3.27Å |
| 256 | G | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 12.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | S195 G207 Y254 S258 G275 | S195-G256 PolarHBondContact OG-O 2.93Å; G207-G256 VanDerWaalsContact CA-O 3.25Å; G207-G256 WeakPolarHBondContact CA-O 3.37Å; Y254-G256 PolarHBondContact O-N 3.47Å; G256-S258 PolarHBondContact O-N 2.75Å; G256-G275 PolarHBondContact N-O 3.32Å; G256-G275 VanDerWaalsContact N-O 3.1Å |
| 257 | Y | 98.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -55.4 | -39.9 | 170.8 | -165.5 | -81.3 | 0 | 0 | 0 | 111.5 | F194 S195 Y254 G275 P277 Y311 H314 | F194-Y257 WeakPolarHBondContact CD1-O 3.06Å; F194-Y257 AromaticContact CE1-CD1 3.98Å; F194-Y257 HydrophobicContact CE1-CD1 3.98Å; F194-Y257 AromaticContact CE1-CD2 3.67Å; F194-Y257 HydrophobicContact CE1-CD2 3.67Å; F194-Y257 AromaticContact CE1-CE1 3.93Å; F194-Y257 HydrophobicContact CE1-CE1 3.93Å; F194-Y257 AromaticContact CE1-CE2 3.65Å; F194-Y257 HydrophobicContact CE1-CE2 3.65Å; F194-Y257 AromaticContact CE1-CG 3.84Å; F194-Y257 HydrophobicContact CE1-CG 3.84Å; F194-Y257 AromaticContact CE1-CZ 3.76Å; F194-Y257 WeakPolarHBondContact CE1-O 3.33Å; F194-Y257 AromaticContact CZ-CD2 3.91Å; F194-Y257 HydrophobicContact CZ-CD2 3.91Å; F194-Y257 HydrophobicContact CZ-CE1 4.32Å; F194-Y257 AromaticContact CZ-CE2 3.47Å; F194-Y257 HydrophobicContact CZ-CE2 3.47Å; F194-Y257 VanDerWaalsContact CZ-CE2 3.47Å; F194-Y257 HydrophobicContact CZ-CG 4.5Å; F194-Y257 AromaticContact CZ-CZ 3.69Å; S195-Y257 WeakPolarHBondContact CB-O 3.48Å; Y254-Y257 WeakPolarHBondContact O-CB 3.34Å; Y254-Y257 PolarHBondContact O-N 2.04Å; Y254-Y257 VanDerWaalsContact O-N 3.09Å; Y257-G275 PolarHBondContact N-O 3.1Å; Y257-P277 HydrophobicContact CD1-CG 4.44Å; Y257-P277 HydrophobicContact CD2-CG 4.12Å; Y257-P277 HydrophobicContact CG-CG 3.88Å; Y257-Y311 HydrophobicContact CE1-CE1 4.09Å; Y257-Y311 HydrophobicContact CE2-CE1 4.01Å; Y257-Y311 WeakPolarHBondContact CE2-OH 3.31Å; Y257-Y311 AromaticContact CZ-CE1 3.73Å; Y257-H314 AromaticContact CE1-CD2 3.51Å; Y257-H314 AromaticContact CE1-NE2 3.87Å |
| 258 | S | 98.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -134.6 | 148.9 | 171.6 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | G256 V274 G275 G313 H314 | G256-S258 PolarHBondContact O-N 2.75Å; S258-V274 WeakPolarHBondContact O-CA 3.47Å; S258-G275 PolarHBondContact O-N 3.32Å; S258-G313 PolarHBondContact OG-O 2.84Å; S258-H314 VanDerWaalsContact CB-O 3.31Å; S258-H314 WeakPolarHBondContact CB-O 3.06Å |
| 259 | V | 98.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.7 | 179 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | D197 V205 V218 V273 | D197-V259 HydrophobicContact CB-CG2 4.01Å; V205-V259 HydrophobicContact CG1-CB 4.08Å; V205-V259 HydrophobicContact CG1-CG1 4.24Å; V205-V259 HydrophobicContact CG1-CG2 4.4Å; V218-V259 HydrophobicContact CG2-CG1 4.32Å; V259-V273 CarbonylContact C-O 3.41Å; V259-V273 VanDerWaalsContact CA-O 3.31Å; V259-V273 WeakPolarHBondContact CA-O 3.32Å |
| 260 | A | 97.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 170.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | D197 V273 V316 V318 | D197-A260 WeakPolarHBondContact OD2-CA 3.32Å; A260-V273 HydrophobicContact CB-CB 4.38Å; A260-V273 PolarHBondContact N-O 2.73Å; A260-V273 PolarHBondContact O-N 2.71Å; A260-V316 HydrophobicContact CB-CG2 3.84Å; A260-V318 HydrophobicContact CB-CG2 3.95Å |
| 261 | S | 95.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 43 Ų | 43 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.6 | -178.4 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | D197 D271 | D197-S261 PolarHBondContact OD2-N 2.98Å; D197-S261 VanDerWaalsContact OD2-N 3.16Å; D197-S261 PolarHBondContact OD2-OG 2.87Å; S261-D271 WeakPolarHBondContact CA-O 3.14Å |
| 262 | G | 93.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -175.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D271 D327 | G262-D271 PolarHBondContact N-O 2.58Å; G262-D271 VanDerWaalsContact N-O 3.14Å; G262-D271 WeakPolarHBondContact O-CA 3.49Å; G262-D271 PolarHBondContact O-N 2.85Å; G262-D327 WeakPolarHBondContact CA-OD2 3.22Å |
| 263 | L | 93.6 | Very high | 93.4 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | trans | -98.4 | 100.7 | -177 | -63.2 | 174.2 | 0 | 0 | 0 | 110.7 | I269 D327 Q355 | L263-I269 WeakPolarHBondContact CD2-O 3.34Å; L263-D327 PolarHBondContact N-OD2 2.87Å; L263-Q355 PolarHBondContact O-NE2 3.31Å | ||
| 264 | L | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -127.5 | -8.2 | -166.7 | -59.1 | 168 | 0 | 0 | 0 | 114.1 | D271 V273 I288 V318 D327 V329 S359 F361 | L264-D271 HydrophobicContact CB-CB 4.28Å; L264-D271 PolarHBondContact N-OD2 2.96Å; L264-V273 HydrophobicContact CD1-CG2 3.22Å; L264-I288 HydrophobicContact CB-CD1 4.12Å; L264-I288 HydrophobicContact CB-CG2 4.11Å; L264-I288 HydrophobicContact CD1-CD1 3.92Å; L264-I288 HydrophobicContact CD1-CG1 4.19Å; L264-I288 HydrophobicContact CD1-CG2 4.13Å; L264-V318 HydrophobicContact CD2-CG1 4.35Å; L264-D327 HydrophobicContact CD2-CB 4.1Å; L264-D327 WeakPolarHBondContact CD2-O 3.18Å; L264-V329 HydrophobicContact CD1-CG2 4.21Å; L264-V329 HydrophobicContact CD2-CG2 3.79Å; L264-S359 WeakPolarHBondContact O-CB 3.46Å; L264-F361 HydrophobicContact CD2-CZ 3.95Å | ||
| 265 | T | 86.6 | Confident | 93.6 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 10% | 0.104 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -108.7 | 5.1 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | D267 D271 H300 | T265-D267 PolarHBondContact O-N 3.04Å; T265-D267 PolarHBondContact OG1-OD1 3.12Å; T265-D267 PolarHBondContact OG1-OD2 2.79Å; T265-D271 WeakPolarHBondContact CB-OD2 3.19Å; T265-D271 VanDerWaalsContact CG2-CG 3.48Å; T265-D271 WeakPolarHBondContact CG2-OD1 3.22Å; T265-D271 VanDerWaalsContact CG2-OD2 3.22Å; T265-D271 WeakPolarHBondContact CG2-OD2 3.32Å; T265-D271 PolarHBondContact N-OD2 3.29Å; T265-D271 PolarHBondContact OG1-OD1 3.46Å; T265-D271 PolarHBondContact OG1-OD2 3.07Å; T265-H300 HydrophobicContact CG2-CB 4.21Å |
| 266 | G | 81.8 | Confident | 93.7 | Very high | 61 Ų | 61 | 29 Ų | 29 | 63% | 0.629 | 16% | 0.162 | S | C | * | . | S | Bend | trans | 77.7 | 2.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S359 | G266-S359 WeakPolarHBondContact CA-OG 3.41Å; G266-S359 PolarHBondContact N-OG 2.86Å |
| 267 | D | 83.4 | Confident | 93.7 | Very high | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -92.9 | -176.5 | 163.5 | 67.5 | 41 | 0 | 0 | 0 | 111.3 | T265 I269 R292 | T265-D267 PolarHBondContact O-N 3.04Å; T265-D267 PolarHBondContact OG1-OD1 3.12Å; T265-D267 PolarHBondContact OG1-OD2 2.79Å; D267-I269 WeakPolarHBondContact OD1-CA 3.22Å; D267-I269 WeakPolarHBondContact OD1-CB 3.42Å; D267-I269 PolarHBondContact OD1-N 2.89Å; D267-R292 WeakPolarHBondContact OD2-CD 3.43Å; D267-R292 VanDerWaalsContact OD2-CG 3.27Å; D267-R292 WeakPolarHBondContact OD2-CG 3.36Å; D267-R292 IonicContact OD2-CZ 3.43Å; D267-R292 IonicContact OD2-NE 3.8Å; D267-R292 PolarHBondContact OD2-NE 3.48Å; D267-R292 IonicContact OD2-NH1 3.62Å; D267-R292 PolarHBondContact OD2-NH1 2.97Å; D267-R292 IonicContact OD2-NH2 2.76Å |
| 268 | K | 85.5 | Confident | 93.5 | Very high | 201 Ų | 201 | 28 Ų | 28 | 87% | 0.874 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -98.2 | 14.8 | -179.2 | -62.7 | -173.4 | 178.3 | -175.3 | 0 | 112.4 | ||
| 269 | I | 88.7 | Confident | 93.3 | Very high | 82 Ų | 82 | 28.6 Ų | 28.6 | 42% | 0.421 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -103.1 | 135.2 | -178.1 | -68 | 167.2 | 0 | 0 | 0 | 107.6 | L263 D267 D271 R292 | L263-I269 WeakPolarHBondContact CD2-O 3.34Å; D267-I269 WeakPolarHBondContact OD1-CA 3.22Å; D267-I269 WeakPolarHBondContact OD1-CB 3.42Å; D267-I269 PolarHBondContact OD1-N 2.89Å; I269-D271 PolarHBondContact O-N 2.98Å; I269-R292 HydrophobicContact CB-CG 4.23Å; I269-R292 HydrophobicContact CD1-CB 4.49Å; I269-R292 HydrophobicContact CD1-CG 3.66Å; I269-R292 HydrophobicContact CG2-CG 4.29Å |
| 270 | T | 92.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -69 | 126.1 | -178.3 | -44.7 | 0 | 0 | 0 | 0 | 110.3 | T199 D201 G291 | T199-T270 HydrophobicContact CG2-CG2 3.67Å; D201-T270 PolarHBondContact OD1-OG1 3.44Å; T270-G291 WeakPolarHBondContact O-CA 3.38Å |
| 271 | D | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 165.6 | 174.6 | -59.9 | -56.8 | 0 | 0 | 0 | 111.1 | S261 G262 L264 T265 I269 I288 D290 G291 | S261-D271 WeakPolarHBondContact CA-O 3.14Å; G262-D271 PolarHBondContact N-O 2.58Å; G262-D271 VanDerWaalsContact N-O 3.14Å; G262-D271 WeakPolarHBondContact O-CA 3.49Å; G262-D271 PolarHBondContact O-N 2.85Å; L264-D271 HydrophobicContact CB-CB 4.28Å; L264-D271 PolarHBondContact N-OD2 2.96Å; T265-D271 WeakPolarHBondContact CB-OD2 3.19Å; T265-D271 VanDerWaalsContact CG2-CG 3.48Å; T265-D271 WeakPolarHBondContact CG2-OD1 3.22Å; T265-D271 VanDerWaalsContact CG2-OD2 3.22Å; T265-D271 WeakPolarHBondContact CG2-OD2 3.32Å; T265-D271 PolarHBondContact N-OD2 3.29Å; T265-D271 PolarHBondContact OG1-OD1 3.46Å; T265-D271 PolarHBondContact OG1-OD2 3.07Å; I269-D271 PolarHBondContact O-N 2.98Å; D271-I288 HydrophobicContact CB-CG2 4.16Å; D271-D290 WeakPolarHBondContact OD1-CA 3.07Å; D271-G291 PolarHBondContact OD1-N 3.48Å |
| 272 | Y | 96 | Very high | 92.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.3 | -174.5 | -43 | -58.5 | 0 | 0 | 0 | 111.3 | T199 V205 T220 I288 Y289 L297 | T199-Y272 HydrophobicContact CG2-CD1 4.47Å; T199-Y272 HydrophobicContact CG2-CE1 3.78Å; V205-Y272 HydrophobicContact CB-CD1 4.49Å; V205-Y272 HydrophobicContact CG1-CD1 4.18Å; V205-Y272 HydrophobicContact CG1-CG 4.4Å; V205-Y272 HydrophobicContact CG2-CD1 3.46Å; V205-Y272 VanDerWaalsContact CG2-CD1 3.46Å; V205-Y272 HydrophobicContact CG2-CE1 3.53Å; V205-Y272 HydrophobicContact CG2-CG 4.4Å; T220-Y272 HydrophobicContact CG2-CD1 4.46Å; T220-Y272 HydrophobicContact CG2-CD2 4.04Å; T220-Y272 HydrophobicContact CG2-CE1 4.18Å; T220-Y272 HydrophobicContact CG2-CE2 3.72Å; T220-Y272 HydrophobicContact CG2-CG 4.39Å; Y272-I288 CarbonylContact O-C 3.55Å; Y272-I288 WeakPolarHBondContact O-CA 3.49Å; Y272-Y289 PolarHBondContact N-O 3.46Å; Y272-Y289 PolarHBondContact O-N 2.86Å; Y272-L297 HydrophobicContact CD2-CD2 3.96Å; Y272-L297 HydrophobicContact CE2-CD2 3.7Å |
| 273 | V | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.5 | 174 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | V259 A260 L264 V286 I288 V316 V318 V329 | V259-V273 CarbonylContact C-O 3.41Å; V259-V273 VanDerWaalsContact CA-O 3.31Å; V259-V273 WeakPolarHBondContact CA-O 3.32Å; A260-V273 HydrophobicContact CB-CB 4.38Å; A260-V273 PolarHBondContact N-O 2.73Å; A260-V273 PolarHBondContact O-N 2.71Å; L264-V273 HydrophobicContact CD1-CG2 3.22Å; V273-V286 HydrophobicContact CG1-CG1 3.42Å; V273-V286 VanDerWaalsContact CG1-CG1 3.42Å; V273-I288 HydrophobicContact CG2-CG1 4.43Å; V273-V316 HydrophobicContact CG1-CB 4.09Å; V273-V316 HydrophobicContact CG1-CG1 4.17Å; V273-V316 HydrophobicContact CG1-CG2 4.34Å; V273-V318 HydrophobicContact CB-CG2 4.23Å; V273-V318 HydrophobicContact CG2-CG2 3.58Å; V273-V329 HydrophobicContact CG1-CG1 4.16Å |
| 274 | V | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.6 | -168.7 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | V218 R255 S258 V276 V286 K287 Y289 | V218-V274 HydrophobicContact CB-CG2 4.42Å; V218-V274 HydrophobicContact CG1-CG2 4.38Å; V218-V274 HydrophobicContact CG2-CB 4.2Å; V218-V274 HydrophobicContact CG2-CG1 3.42Å; V218-V274 VanDerWaalsContact CG2-CG1 3.42Å; V218-V274 HydrophobicContact CG2-CG2 3.67Å; R255-V274 HydrophobicContact CG-CG1 3.98Å; S258-V274 WeakPolarHBondContact O-CA 3.47Å; V274-V276 HydrophobicContact CG1-CG2 4.5Å; V274-V286 CarbonylContact O-C 3.35Å; V274-V286 WeakPolarHBondContact O-CA 3.46Å; V274-K287 PolarHBondContact N-O 3.33Å; V274-K287 PolarHBondContact O-N 2.96Å; V274-Y289 HydrophobicContact CB-CD2 4.08Å; V274-Y289 HydrophobicContact CB-CE2 3.8Å; V274-Y289 HydrophobicContact CG1-CE2 4.27Å; V274-Y289 HydrophobicContact CG2-CD2 3.53Å; V274-Y289 HydrophobicContact CG2-CE2 3.69Å |
| 275 | G | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | G256 Y257 S258 G313 | G256-G275 PolarHBondContact N-O 3.32Å; G256-G275 VanDerWaalsContact N-O 3.1Å; Y257-G275 PolarHBondContact N-O 3.1Å; S258-G275 PolarHBondContact O-N 3.32Å; G275-G313 WeakPolarHBondContact CA-O 3.48Å |
| 276 | V | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 72.1 | 177.1 | -161.7 | 0 | 0 | 0 | 0 | 108.3 | L253 R255 V274 N278 D279 G284 T285 K287 | L253-V276 HydrophobicContact CB-CG1 3.68Å; L253-V276 VanDerWaalsContact O-CG1 3.24Å; L253-V276 WeakPolarHBondContact O-CG1 3.43Å; R255-V276 HydrophobicContact CB-CG1 4.04Å; R255-V276 HydrophobicContact CB-CG2 4.08Å; R255-V276 HydrophobicContact CG-CG2 4.03Å; V274-V276 HydrophobicContact CG1-CG2 4.5Å; V276-N278 VanDerWaalsContact C-N 3.25Å; V276-N278 PolarHBondContact O-N 2.92Å; V276-N278 VanDerWaalsContact O-N 3.17Å; V276-D279 HydrophobicContact CB-CB 4.11Å; V276-D279 HydrophobicContact CG1-CB 3.76Å; V276-D279 WeakPolarHBondContact O-CB 3.2Å; V276-D279 PolarHBondContact O-N 2.83Å; V276-G284 WeakPolarHBondContact O-CA 3.41Å; V276-T285 CarbonylContact C-O 3.53Å; V276-T285 WeakPolarHBondContact CA-O 3.36Å; V276-T285 PolarHBondContact N-O 3.17Å; V276-T285 PolarHBondContact O-N 2.79Å; V276-K287 HydrophobicContact CG2-CD 4.36Å |
| 277 | P | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.1 | -163.6 | 25.5 | -34.8 | 0 | 0 | 0 | 114.9 | Y257 G284 Y311 F312 | Y257-P277 HydrophobicContact CD1-CG 4.44Å; Y257-P277 HydrophobicContact CD2-CG 4.12Å; Y257-P277 HydrophobicContact CG-CG 3.88Å; P277-G284 WeakPolarHBondContact O-CA 3.32Å; P277-Y311 HydrophobicContact CB-CD1 4.12Å; P277-Y311 HydrophobicContact CB-CD2 4.05Å; P277-Y311 HydrophobicContact CB-CE1 4.25Å; P277-Y311 HydrophobicContact CB-CE2 4.17Å; P277-Y311 HydrophobicContact CB-CG 4.01Å; P277-Y311 HydrophobicContact CG-CE1 4.24Å; P277-Y311 HydrophobicContact CG-CE2 4.41Å; P277-F312 WeakPolarHBondContact CA-O 3.22Å |
| 278 | N | 95.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2 | 179.5 | -82.4 | 8 | 0 | 0 | 0 | 114.2 | D252 L253 Y254 V276 T282 | D252-N278 WeakPolarHBondContact O-CB 3.45Å; D252-N278 PolarHBondContact O-ND2 2.96Å; L253-N278 PolarHBondContact O-N 2.81Å; Y254-N278 HydrophobicContact CD2-CB 4.28Å; Y254-N278 VanDerWaalsContact CD2-ND2 3.3Å; Y254-N278 WeakPolarHBondContact CD2-ND2 3.48Å; Y254-N278 WeakPolarHBondContact CE2-ND2 3.29Å; V276-N278 VanDerWaalsContact C-N 3.25Å; V276-N278 PolarHBondContact O-N 2.92Å; V276-N278 VanDerWaalsContact O-N 3.17Å; N278-T282 PolarHBondContact O-N 2.89Å |
| 279 | D | 93.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | 156.9 | 178.6 | -159.8 | 1.2 | 0 | 0 | 0 | 111.9 | V276 N281 T282 A283 G284 T285 K287 | V276-D279 HydrophobicContact CB-CB 4.11Å; V276-D279 HydrophobicContact CG1-CB 3.76Å; V276-D279 WeakPolarHBondContact O-CB 3.2Å; V276-D279 PolarHBondContact O-N 2.83Å; D279-N281 PolarHBondContact O-N 2.72Å; D279-T282 PolarHBondContact O-N 3.19Å; D279-A283 PolarHBondContact O-N 3.34Å; D279-G284 PolarHBondContact O-N 3.08Å; D279-T285 HydrophobicContact CB-CG2 3.87Å; D279-T285 WeakPolarHBondContact CB-OG1 3.31Å; D279-T285 WeakPolarHBondContact OD2-CG2 3.28Å; D279-T285 PolarHBondContact OD2-OG1 3.21Å; D279-K287 WeakPolarHBondContact OD2-CE 3.5Å; D279-K287 IonicContact OD2-NZ 3.14Å; D279-K287 PolarHBondContact OD2-NZ 3.35Å |
| 280 | R | 90.5 | Very high | 94.8 | Very high | 136 Ų | 136 | 22 Ų | 22 | 51% | 0.513 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | 50.5 | 57.3 | 179.9 | -61.7 | -176.7 | 61.7 | 174.1 | -1.6 | 113.3 | T282 A283 T285 | R280-T282 PolarHBondContact O-N 3.07Å; R280-A283 HydrophobicContact CB-CB 4.23Å; R280-A283 VanDerWaalsContact O-CB 3.31Å; R280-A283 WeakPolarHBondContact O-CB 3.43Å; R280-A283 PolarHBondContact O-N 3.09Å; R280-T285 HydrophobicContact CG-CG2 3.98Å |
| 281 | N | 88.3 | Confident | 94.6 | Very high | 143 Ų | 143 | 21.9 Ų | 21.9 | 77% | 0.765 | 11% | 0.112 | S | C | * | . | H | α-helix | trans | 54.6 | 47.5 | -177.8 | -64.5 | -37.9 | 0 | 0 | 0 | 112.7 | D279 A283 | D279-N281 PolarHBondContact O-N 2.72Å; N281-A283 PolarHBondContact O-N 3.32Å |
| 282 | T | 92.6 | Very high | 94 | Very high | 53 Ų | 53 | 28 Ų | 28 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | 66 | 10.5 | -179.1 | 76.7 | 0 | 0 | 0 | 0 | 116 | N278 D279 R280 G284 V308 A309 | N278-T282 PolarHBondContact O-N 2.89Å; D279-T282 PolarHBondContact O-N 3.19Å; R280-T282 PolarHBondContact O-N 3.07Å; T282-G284 PolarHBondContact O-N 3.25Å; T282-V308 CarbonylContact O-C 3.6Å; T282-A309 PolarHBondContact O-N 2.82Å; T282-A309 PolarHBondContact OG1-N 2.87Å; T282-A309 VanDerWaalsContact OG1-N 3.17Å |
| 283 | A | 92.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | D279 R280 N281 G305 V308 F312 | D279-A283 PolarHBondContact O-N 3.34Å; R280-A283 HydrophobicContact CB-CB 4.23Å; R280-A283 VanDerWaalsContact O-CB 3.31Å; R280-A283 WeakPolarHBondContact O-CB 3.43Å; R280-A283 PolarHBondContact O-N 3.09Å; N281-A283 PolarHBondContact O-N 3.32Å; A283-G305 WeakPolarHBondContact O-CA 3.44Å; A283-V308 HydrophobicContact CB-CG1 4.3Å; A283-F312 WeakPolarHBondContact O-CB 3.46Å |
| 284 | G | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 83.5 | 151.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V276 P277 D279 T282 G305 | V276-G284 WeakPolarHBondContact O-CA 3.41Å; P277-G284 WeakPolarHBondContact O-CA 3.32Å; D279-G284 PolarHBondContact O-N 3.08Å; T282-G284 PolarHBondContact O-N 3.25Å; G284-G305 WeakPolarHBondContact O-CA 3.46Å; G284-G305 PolarHBondContact O-N 2.86Å | ||
| 285 | T | 97.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.8 | 169.3 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | V276 D279 R280 K287 T302 F303 | V276-T285 CarbonylContact C-O 3.53Å; V276-T285 WeakPolarHBondContact CA-O 3.36Å; V276-T285 PolarHBondContact N-O 3.17Å; V276-T285 PolarHBondContact O-N 2.79Å; D279-T285 HydrophobicContact CB-CG2 3.87Å; D279-T285 WeakPolarHBondContact CB-OG1 3.31Å; D279-T285 WeakPolarHBondContact OD2-CG2 3.28Å; D279-T285 PolarHBondContact OD2-OG1 3.21Å; R280-T285 HydrophobicContact CG-CG2 3.98Å; T285-K287 VanDerWaalsContact OG1-CE 3.28Å; T285-K287 WeakPolarHBondContact OG1-CE 3.39Å; T285-T302 HydrophobicContact CG2-CG2 4.09Å; T285-F303 VanDerWaalsContact CA-O 3.3Å; T285-F303 WeakPolarHBondContact CA-O 3.16Å |
| 286 | V | 98.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.8 | 165.1 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | V273 V274 T302 F303 F312 V316 I331 | V273-V286 HydrophobicContact CG1-CG1 3.42Å; V273-V286 VanDerWaalsContact CG1-CG1 3.42Å; V274-V286 CarbonylContact O-C 3.35Å; V274-V286 WeakPolarHBondContact O-CA 3.46Å; V286-T302 CarbonylContact O-C 3.58Å; V286-T302 WeakPolarHBondContact O-CA 3.39Å; V286-F303 HydrophobicContact CB-CB 4.25Å; V286-F303 HydrophobicContact CB-CD2 4.15Å; V286-F303 HydrophobicContact CG1-CD2 4.12Å; V286-F303 PolarHBondContact N-O 2.76Å; V286-F303 WeakPolarHBondContact O-CD2 3.38Å; V286-F303 PolarHBondContact O-N 3.3Å; V286-F312 HydrophobicContact CB-CE1 4.28Å; V286-F312 HydrophobicContact CG2-CD1 4.26Å; V286-F312 HydrophobicContact CG2-CE1 3.82Å; V286-F312 HydrophobicContact CG2-CZ 4.44Å; V286-V316 HydrophobicContact CG1-CG1 3.94Å; V286-V316 HydrophobicContact CG2-CG1 3.96Å; V286-I331 HydrophobicContact CB-CD1 3.71Å; V286-I331 HydrophobicContact CB-CG1 4.31Å; V286-I331 HydrophobicContact CG1-CD1 4.07Å; V286-I331 HydrophobicContact CG1-CG1 4.35Å; V286-I331 HydrophobicContact CG2-CB 4.39Å; V286-I331 HydrophobicContact CG2-CD1 3.74Å; V286-I331 HydrophobicContact CG2-CG1 3.95Å; V286-I331 HydrophobicContact CG2-CG2 3.57Å |
| 287 | K | 95.7 | Very high | 87.3 | Confident | 31 Ų | 31 | 43 Ų | 43 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.8 | -173.9 | -64.7 | -178.9 | -175.8 | 173.5 | 0 | 110.4 | V274 V276 D279 T285 Y289 V299 Y301 T302 | V274-K287 PolarHBondContact N-O 3.33Å; V274-K287 PolarHBondContact O-N 2.96Å; V276-K287 HydrophobicContact CG2-CD 4.36Å; D279-K287 WeakPolarHBondContact OD2-CE 3.5Å; D279-K287 IonicContact OD2-NZ 3.14Å; D279-K287 PolarHBondContact OD2-NZ 3.35Å; T285-K287 VanDerWaalsContact OG1-CE 3.28Å; T285-K287 WeakPolarHBondContact OG1-CE 3.39Å; K287-Y289 HydrophobicContact CB-CD2 4.38Å; K287-Y289 HydrophobicContact CB-CE2 3.8Å; K287-V299 HydrophobicContact CB-CG1 4.17Å; K287-V299 HydrophobicContact CB-CG2 4.49Å; K287-V299 HydrophobicContact CD-CG1 4.4Å; K287-V299 HydrophobicContact CD-CG2 4.11Å; K287-V299 HydrophobicContact CG-CG1 4.34Å; K287-Y301 WeakPolarHBondContact CA-O 3.49Å; K287-T302 HydrophobicContact CG-CG2 4.09Å |
| 288 | I | 95.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.7 | 169.7 | -58.9 | 178.6 | 0 | 0 | 0 | 107.6 | L264 D271 Y272 V273 V299 H300 Y301 F303 F361 | L264-I288 HydrophobicContact CB-CD1 4.12Å; L264-I288 HydrophobicContact CB-CG2 4.11Å; L264-I288 HydrophobicContact CD1-CD1 3.92Å; L264-I288 HydrophobicContact CD1-CG1 4.19Å; L264-I288 HydrophobicContact CD1-CG2 4.13Å; D271-I288 HydrophobicContact CB-CG2 4.16Å; Y272-I288 CarbonylContact O-C 3.55Å; Y272-I288 WeakPolarHBondContact O-CA 3.49Å; V273-I288 HydrophobicContact CG2-CG1 4.43Å; I288-V299 CarbonylContact O-C 3.07Å; I288-V299 WeakPolarHBondContact O-CA 3.45Å; I288-H300 HydrophobicContact CG2-CB 4.38Å; I288-H300 PolarHBondContact O-N 2.93Å; I288-Y301 PolarHBondContact N-O 3.19Å; I288-F303 HydrophobicContact CD1-CE2 3.67Å; I288-F303 HydrophobicContact CD1-CZ 3.97Å; I288-F303 HydrophobicContact CG1-CE2 3.87Å; I288-F361 HydrophobicContact CD1-CD2 4.36Å; I288-F361 HydrophobicContact CD1-CE2 3.64Å; I288-F361 HydrophobicContact CD1-CZ 4.15Å |
| 289 | Y | 93.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.9 | 173.4 | -69.6 | -97.9 | 0 | 0 | 0 | 110.4 | R255 Y272 V274 K287 G291 L297 T298 V299 | R255-Y289 VanDerWaalsContact CD-OH 3.3Å; R255-Y289 WeakPolarHBondContact CD-OH 3.46Å; R255-Y289 PolarHBondContact NE-OH 3.27Å; Y272-Y289 PolarHBondContact N-O 3.46Å; Y272-Y289 PolarHBondContact O-N 2.86Å; V274-Y289 HydrophobicContact CB-CD2 4.08Å; V274-Y289 HydrophobicContact CB-CE2 3.8Å; V274-Y289 HydrophobicContact CG1-CE2 4.27Å; V274-Y289 HydrophobicContact CG2-CD2 3.53Å; V274-Y289 HydrophobicContact CG2-CE2 3.69Å; K287-Y289 HydrophobicContact CB-CD2 4.38Å; K287-Y289 HydrophobicContact CB-CE2 3.8Å; Y289-G291 PolarHBondContact O-N 2.92Å; Y289-L297 HydrophobicContact CD1-CB 3.65Å; Y289-L297 HydrophobicContact CE1-CB 4.32Å; Y289-L297 HydrophobicContact CG-CB 4.36Å; Y289-T298 WeakPolarHBondContact CA-O 3.4Å; Y289-V299 HydrophobicContact CD1-CG2 4.12Å; Y289-V299 HydrophobicContact CE1-CG2 3.57Å; Y289-V299 HydrophobicContact CE2-CG2 4.41Å |
| 290 | D | 89.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | trans | -69.5 | 122.2 | 178.8 | -176.2 | -28.5 | 0 | 0 | 0 | 110.6 | D271 R292 T298 | D271-D290 WeakPolarHBondContact OD1-CA 3.07Å; D290-R292 VanDerWaalsContact C-N 3.32Å; D290-R292 PolarHBondContact O-N 3.3Å; D290-R292 WeakPolarHBondContact OD1-CB 3.17Å; D290-R292 VanDerWaalsContact OD1-CG 3.25Å; D290-R292 WeakPolarHBondContact OD1-CG 3.32Å; D290-R292 IonicContact OD1-CZ 3.17Å; D290-R292 PolarHBondContact OD1-N 3.36Å; D290-R292 IonicContact OD1-NE 3.62Å; D290-R292 PolarHBondContact OD1-NE 2.95Å; D290-R292 VanDerWaalsContact OD1-NE 3.11Å; D290-R292 IonicContact OD1-NH2 2.61Å; D290-R292 IonicContact OD2-CZ 3.21Å; D290-R292 VanDerWaalsContact OD2-CZ 3.32Å; D290-R292 IonicContact OD2-NE 3.72Å; D290-R292 PolarHBondContact OD2-NE 3.35Å; D290-R292 IonicContact OD2-NH2 3.45Å; D290-R292 PolarHBondContact OD2-NH2 3.4Å; D290-T298 PolarHBondContact N-O 2.95Å | ||
| 291 | G | 87.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -12.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T270 D271 Y289 | T270-G291 WeakPolarHBondContact O-CA 3.38Å; D271-G291 PolarHBondContact OD1-N 3.48Å; Y289-G291 PolarHBondContact O-N 2.92Å |
| 292 | R | 81.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 41.9 Ų | 41.9 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -34.6 | -174.1 | -65.9 | -178.6 | -80.3 | -141.5 | 2.2 | 114.6 | D267 I269 D290 A294 | D267-R292 WeakPolarHBondContact OD2-CD 3.43Å; D267-R292 VanDerWaalsContact OD2-CG 3.27Å; D267-R292 WeakPolarHBondContact OD2-CG 3.36Å; D267-R292 IonicContact OD2-CZ 3.43Å; D267-R292 IonicContact OD2-NE 3.8Å; D267-R292 PolarHBondContact OD2-NE 3.48Å; D267-R292 IonicContact OD2-NH1 3.62Å; D267-R292 PolarHBondContact OD2-NH1 2.97Å; D267-R292 IonicContact OD2-NH2 2.76Å; I269-R292 HydrophobicContact CB-CG 4.23Å; I269-R292 HydrophobicContact CD1-CB 4.49Å; I269-R292 HydrophobicContact CD1-CG 3.66Å; I269-R292 HydrophobicContact CG2-CG 4.29Å; D290-R292 VanDerWaalsContact C-N 3.32Å; D290-R292 PolarHBondContact O-N 3.3Å; D290-R292 WeakPolarHBondContact OD1-CB 3.17Å; D290-R292 VanDerWaalsContact OD1-CG 3.25Å; D290-R292 WeakPolarHBondContact OD1-CG 3.32Å; D290-R292 IonicContact OD1-CZ 3.17Å; D290-R292 PolarHBondContact OD1-N 3.36Å; D290-R292 IonicContact OD1-NE 3.62Å; D290-R292 PolarHBondContact OD1-NE 2.95Å; D290-R292 VanDerWaalsContact OD1-NE 3.11Å; D290-R292 IonicContact OD1-NH2 2.61Å; D290-R292 IonicContact OD2-CZ 3.21Å; D290-R292 VanDerWaalsContact OD2-CZ 3.32Å; D290-R292 IonicContact OD2-NE 3.72Å; D290-R292 PolarHBondContact OD2-NE 3.35Å; D290-R292 IonicContact OD2-NH2 3.45Å; D290-R292 PolarHBondContact OD2-NH2 3.4Å; R292-A294 PolarHBondContact O-N 2.9Å |
| 293 | R | 66 | Low | 86.6 | Confident | 144 Ų | 144 | 39.4 Ų | 39.4 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | trans | -80.9 | 104.6 | -168 | -73.4 | -175.6 | -179.9 | 159.8 | -3.2 | 110.4 | G295 T298 | R293-G295 PolarHBondContact O-N 3.38Å; R293-T298 PolarHBondContact NH1-OG1 3.38Å | ||
| 294 | A | 61.1 | Low | 86.7 | Confident | 87 Ų | 87 | 41 Ų | 41 | 72% | 0.719 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -63.1 | 126.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R292 | R292-A294 PolarHBondContact O-N 2.9Š|
| 295 | G | 62.5 | Low | 86.4 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 103.2 | -34.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H243 R293 | H243-G295 PolarHBondContact CE1-N 3Å; H243-G295 VanDerWaalsContact CE1-N 3.28Å; H243-G295 WeakPolarHBondContact ND1-CA 2.95Å; H243-G295 PolarHBondContact ND1-N 3.46Å; R293-G295 PolarHBondContact O-N 3.38Å |
| 296 | S | 73.1 | Confident | 86 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -143.1 | 121.3 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 111 | N246 T298 | N246-S296 PolarHBondContact ND2-OG 3.22Å; N246-S296 PolarHBondContact OD1-OG 2.84Å; S296-T298 PolarHBondContact O-N 2.04Å |
| 297 | L | 85.7 | Confident | 85.6 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -76.2 | 121.1 | 179.1 | -61.4 | 174.8 | 0 | 0 | 0 | 109.4 | V218 T220 H243 Q244 Y272 Y289 | V218-L297 HydrophobicContact CB-CD1 4.4Å; V218-L297 HydrophobicContact CG1-CD1 4.26Å; T220-L297 HydrophobicContact CG2-CD1 4.16Å; H243-L297 HydrophobicContact CB-CD2 4.22Å; H243-L297 HydrophobicContact CB-CG 4.38Å; Q244-L297 PolarHBondContact O-N 2.81Å; Y272-L297 HydrophobicContact CD2-CD2 3.96Å; Y272-L297 HydrophobicContact CE2-CD2 3.7Å; Y289-L297 HydrophobicContact CD1-CB 3.65Å; Y289-L297 HydrophobicContact CE1-CB 4.32Å; Y289-L297 HydrophobicContact CG-CB 4.36Å | ||
| 298 | T | 85.1 | Confident | 85.5 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | trans | -111 | 138.3 | 179 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | Y289 D290 R293 S296 H300 | Y289-T298 WeakPolarHBondContact CA-O 3.4Å; D290-T298 PolarHBondContact N-O 2.95Å; R293-T298 PolarHBondContact NH1-OG1 3.38Å; S296-T298 PolarHBondContact O-N 2.04Å; T298-H300 PolarHBondContact O-N 2.81Å | ||
| 299 | V | 90.1 | Very high | 85.5 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126.7 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | K287 I288 Y289 | K287-V299 HydrophobicContact CB-CG1 4.17Å; K287-V299 HydrophobicContact CB-CG2 4.49Å; K287-V299 HydrophobicContact CD-CG1 4.4Å; K287-V299 HydrophobicContact CD-CG2 4.11Å; K287-V299 HydrophobicContact CG-CG1 4.34Å; I288-V299 CarbonylContact O-C 3.07Å; I288-V299 WeakPolarHBondContact O-CA 3.45Å; Y289-V299 HydrophobicContact CD1-CG2 4.12Å; Y289-V299 HydrophobicContact CE1-CG2 3.57Å; Y289-V299 HydrophobicContact CE2-CG2 4.41Å |
| 300 | H | 88.6 | Confident | 85.7 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 40% | 0.398 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -42 | 174.1 | -176.9 | 72 | 0 | 0 | 0 | 111.9 | T265 I288 T298 | T265-H300 HydrophobicContact CG2-CB 4.21Å; I288-H300 HydrophobicContact CG2-CB 4.38Å; I288-H300 PolarHBondContact O-N 2.93Å; T298-H300 PolarHBondContact O-N 2.81Å |
| 301 | Y | 90.8 | Very high | 86.1 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.9 | -177.7 | -166.3 | -93.7 | 0 | 0 | 0 | 111 | K287 I288 F303 F361 | K287-Y301 WeakPolarHBondContact CA-O 3.49Å; I288-Y301 PolarHBondContact N-O 3.19Å; Y301-F303 HydrophobicContact CD1-CD1 4.09Å; Y301-F303 HydrophobicContact CD1-CD2 4.07Å; Y301-F303 AromaticContact CD1-CE1 3.81Å; Y301-F303 HydrophobicContact CD1-CE1 3.81Å; Y301-F303 AromaticContact CD1-CE2 3.81Å; Y301-F303 HydrophobicContact CD1-CE2 3.81Å; Y301-F303 HydrophobicContact CD1-CG 4.2Å; Y301-F303 AromaticContact CD1-CZ 3.65Å; Y301-F303 HydrophobicContact CD1-CZ 3.65Å; Y301-F303 AromaticContact CE1-CD1 3.54Å; Y301-F303 HydrophobicContact CE1-CD1 3.54Å; Y301-F303 HydrophobicContact CE1-CD2 4.34Å; Y301-F303 AromaticContact CE1-CE1 3.38Å; Y301-F303 HydrophobicContact CE1-CE1 3.38Å; Y301-F303 HydrophobicContact CE1-CE2 4.23Å; Y301-F303 HydrophobicContact CE1-CG 4.02Å; Y301-F303 AromaticContact CE1-CZ 3.76Å; Y301-F303 HydrophobicContact CE1-CZ 3.76Å; Y301-F361 HydrophobicContact CD1-CD2 4.17Å; Y301-F361 HydrophobicContact CE1-CB 4.05Å; Y301-F361 HydrophobicContact CE1-CD2 4.27Å; Y301-F361 HydrophobicContact CE1-CG 4.46Å; Y301-F361 HydrophobicContact CE2-CB 4.49Å; Y301-F361 HydrophobicContact CG-CD2 4.34Å |
| 302 | T | 93.6 | Very high | 86.6 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.3 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | T285 V286 K287 P304 | T285-T302 HydrophobicContact CG2-CG2 4.09Å; V286-T302 CarbonylContact O-C 3.58Å; V286-T302 WeakPolarHBondContact O-CA 3.39Å; K287-T302 HydrophobicContact CG-CG2 4.09Å; T302-P304 WeakPolarHBondContact O-CD 3.4Å |
| 303 | F | 95.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.3 | 168.2 | -56.5 | -83.8 | 0 | 0 | 0 | 109.2 | T285 V286 I288 Y301 F312 V329 I331 Y353 F361 | T285-F303 VanDerWaalsContact CA-O 3.3Å; T285-F303 WeakPolarHBondContact CA-O 3.16Å; V286-F303 HydrophobicContact CB-CB 4.25Å; V286-F303 HydrophobicContact CB-CD2 4.15Å; V286-F303 HydrophobicContact CG1-CD2 4.12Å; V286-F303 PolarHBondContact N-O 2.76Å; V286-F303 WeakPolarHBondContact O-CD2 3.38Å; V286-F303 PolarHBondContact O-N 3.3Å; I288-F303 HydrophobicContact CD1-CE2 3.67Å; I288-F303 HydrophobicContact CD1-CZ 3.97Å; I288-F303 HydrophobicContact CG1-CE2 3.87Å; Y301-F303 HydrophobicContact CD1-CD1 4.09Å; Y301-F303 HydrophobicContact CD1-CD2 4.07Å; Y301-F303 AromaticContact CD1-CE1 3.81Å; Y301-F303 HydrophobicContact CD1-CE1 3.81Å; Y301-F303 AromaticContact CD1-CE2 3.81Å; Y301-F303 HydrophobicContact CD1-CE2 3.81Å; Y301-F303 HydrophobicContact CD1-CG 4.2Å; Y301-F303 AromaticContact CD1-CZ 3.65Å; Y301-F303 HydrophobicContact CD1-CZ 3.65Å; Y301-F303 AromaticContact CE1-CD1 3.54Å; Y301-F303 HydrophobicContact CE1-CD1 3.54Å; Y301-F303 HydrophobicContact CE1-CD2 4.34Å; Y301-F303 AromaticContact CE1-CE1 3.38Å; Y301-F303 HydrophobicContact CE1-CE1 3.38Å; Y301-F303 HydrophobicContact CE1-CE2 4.23Å; Y301-F303 HydrophobicContact CE1-CG 4.02Å; Y301-F303 AromaticContact CE1-CZ 3.76Å; Y301-F303 HydrophobicContact CE1-CZ 3.76Å; F303-F312 HydrophobicContact CB-CE1 4.31Å; F303-F312 HydrophobicContact CB-CZ 4.14Å; F303-F312 WeakPolarHBondContact O-CE1 3.33Å; F303-V329 HydrophobicContact CE2-CB 4.48Å; F303-V329 HydrophobicContact CE2-CG1 4.16Å; F303-V329 HydrophobicContact CE2-CG2 4.41Å; F303-V329 HydrophobicContact CZ-CB 4.3Å; F303-V329 HydrophobicContact CZ-CG1 4.44Å; F303-V329 HydrophobicContact CZ-CG2 4.27Å; F303-I331 HydrophobicContact CB-CD1 3.78Å; F303-I331 HydrophobicContact CD1-CD1 4.45Å; F303-I331 HydrophobicContact CD2-CD1 4.02Å; F303-I331 HydrophobicContact CG-CD1 3.84Å; F303-Y353 AromaticContact CD1-CD1 3.73Å; F303-Y353 HydrophobicContact CD1-CD1 3.73Å; F303-Y353 AromaticContact CD1-CD2 3.95Å; F303-Y353 HydrophobicContact CD1-CD2 3.95Å; F303-Y353 AromaticContact CD1-CE1 3.82Å; F303-Y353 HydrophobicContact CD1-CE1 3.82Å; F303-Y353 HydrophobicContact CD1-CE2 4.05Å; F303-Y353 AromaticContact CD1-CG 3.79Å; F303-Y353 HydrophobicContact CD1-CG 3.79Å; F303-Y353 AromaticContact CD1-CZ 3.97Å; F303-Y353 AromaticContact CE1-CD1 3.71Å; F303-Y353 HydrophobicContact CE1-CD1 3.71Å; F303-Y353 HydrophobicContact CE1-CD2 4.13Å; F303-Y353 HydrophobicContact CE1-CE1 4.27Å; F303-Y353 AromaticContact CE1-CG 3.62Å; F303-Y353 HydrophobicContact CE1-CG 3.62Å; F303-F361 HydrophobicContact CE1-CB 3.88Å; F303-F361 HydrophobicContact CE1-CD1 4.07Å; F303-F361 HydrophobicContact CE1-CD2 4.21Å; F303-F361 AromaticContact CE1-CG 3.77Å; F303-F361 HydrophobicContact CE1-CG 3.77Å; F303-F361 HydrophobicContact CZ-CB 4.35Å; F303-F361 AromaticContact CZ-CD1 3.99Å; F303-F361 HydrophobicContact CZ-CD1 3.99Å; F303-F361 AromaticContact CZ-CD2 3.82Å; F303-F361 HydrophobicContact CZ-CD2 3.82Å; F303-F361 HydrophobicContact CZ-CE1 4.25Å; F303-F361 HydrophobicContact CZ-CE2 4.12Å; F303-F361 AromaticContact CZ-CG 3.76Å; F303-F361 HydrophobicContact CZ-CG 3.76Å; F303-F361 HydrophobicContact CZ-CZ 4.33Å |
| 304 | P | 93.7 | Very high | 89 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 29% | 0.286 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133 | 177.9 | 33.5 | -33.2 | 0 | 0 | 0 | 112 | T302 | T302-P304 WeakPolarHBondContact O-CD 3.4Å |
| 305 | G | 91.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 149 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A283 G284 | A283-G305 WeakPolarHBondContact O-CA 3.44Å; G284-G305 WeakPolarHBondContact O-CA 3.46Å; G284-G305 PolarHBondContact O-N 2.86Å |
| 306 | T | 86.9 | Confident | 92.5 | Very high | 106 Ų | 106 | 38.2 Ų | 38.2 | 65% | 0.65 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -100.7 | -20.8 | -173.3 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 307 | Q | 91.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -126.7 | 125.2 | -175.9 | -174.5 | -178.5 | 95.7 | 0 | 0 | 111 | S310 F336 M337 | Q307-S310 VanDerWaalsContact O-CB 3.28Å; Q307-S310 WeakPolarHBondContact O-CB 3.33Å; Q307-S310 PolarHBondContact O-N 2.89Å; Q307-S310 PolarHBondContact O-OG 3.25Å; Q307-F336 HydrophobicContact CB-CD2 4.26Å; Q307-F336 HydrophobicContact CB-CE2 4.32Å; Q307-M337 PolarHBondContact NE2-O 2.86Å |
| 308 | V | 93.4 | Very high | 94.2 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 145 | 174.3 | -62 | 0 | 0 | 0 | 0 | 111.7 | T282 A283 S310 | T282-V308 CarbonylContact O-C 3.6Å; A283-V308 HydrophobicContact CB-CG1 4.3Å; V308-S310 PolarHBondContact O-N 2.82Å |
| 309 | A | 95.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 11.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T282 Y311 L335 | T282-A309 PolarHBondContact O-N 2.82Å; T282-A309 PolarHBondContact OG1-N 2.87Å; T282-A309 VanDerWaalsContact OG1-N 3.17Å; A309-Y311 PolarHBondContact O-N 3.37Å; A309-L335 WeakPolarHBondContact O-CB 3.49Å |
| 310 | S | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -73.3 | -12.7 | 173.9 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | Q307 V308 F312 A333 L335 | Q307-S310 VanDerWaalsContact O-CB 3.28Å; Q307-S310 WeakPolarHBondContact O-CB 3.33Å; Q307-S310 PolarHBondContact O-N 2.89Å; Q307-S310 PolarHBondContact O-OG 3.25Å; V308-S310 PolarHBondContact O-N 2.82Å; S310-F312 VanDerWaalsContact C-N 3.28Å; S310-F312 PolarHBondContact O-N 2.84Å; S310-A333 CarbonylContact O-C 3.53Å; S310-L335 PolarHBondContact O-N 2.86Å; S310-L335 VanDerWaalsContact O-N 3.12Å |
| 311 | Y | 98.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 29.5 Ų | 29.5 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | trans | 61.5 | 36.8 | -177.7 | -130.5 | -119.9 | 0 | 0 | 0 | 112.3 | Y257 P277 A309 G313 H314 L335 | Y257-Y311 HydrophobicContact CE1-CE1 4.09Å; Y257-Y311 HydrophobicContact CE2-CE1 4.01Å; Y257-Y311 WeakPolarHBondContact CE2-OH 3.31Å; Y257-Y311 AromaticContact CZ-CE1 3.73Å; P277-Y311 HydrophobicContact CB-CD1 4.12Å; P277-Y311 HydrophobicContact CB-CD2 4.05Å; P277-Y311 HydrophobicContact CB-CE1 4.25Å; P277-Y311 HydrophobicContact CB-CE2 4.17Å; P277-Y311 HydrophobicContact CB-CG 4.01Å; P277-Y311 HydrophobicContact CG-CE1 4.24Å; P277-Y311 HydrophobicContact CG-CE2 4.41Å; A309-Y311 PolarHBondContact O-N 3.37Å; Y311-G313 PolarHBondContact O-N 3.26Å; Y311-H314 HydrophobicContact CD1-CB 3.91Å; Y311-H314 AromaticContact CD1-CD2 3.58Å; Y311-H314 AromaticContact CE1-CD2 3.81Å; Y311-H314 VanDerWaalsContact O-CB 3.32Å; Y311-H314 WeakPolarHBondContact O-CB 3.41Å; Y311-H314 PolarHBondContact O-N 2.94Å; Y311-L335 HydrophobicContact CG-CD1 4.45Å | ||
| 312 | F | 98.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 122.1 | 177.2 | 176.4 | -89.1 | 0 | 0 | 0 | 111.3 | P277 A283 V286 F303 S310 I331 A333 L351 | P277-F312 WeakPolarHBondContact CA-O 3.22Å; A283-F312 WeakPolarHBondContact O-CB 3.46Å; V286-F312 HydrophobicContact CB-CE1 4.28Å; V286-F312 HydrophobicContact CG2-CD1 4.26Å; V286-F312 HydrophobicContact CG2-CE1 3.82Å; V286-F312 HydrophobicContact CG2-CZ 4.44Å; F303-F312 HydrophobicContact CB-CE1 4.31Å; F303-F312 HydrophobicContact CB-CZ 4.14Å; F303-F312 WeakPolarHBondContact O-CE1 3.33Å; S310-F312 VanDerWaalsContact C-N 3.28Å; S310-F312 PolarHBondContact O-N 2.84Å; F312-I331 HydrophobicContact CD1-CG2 4.24Å; F312-I331 HydrophobicContact CD2-CG2 3.8Å; F312-I331 HydrophobicContact CE1-CD1 4.16Å; F312-I331 HydrophobicContact CE1-CG2 3.98Å; F312-I331 HydrophobicContact CE2-CB 4.05Å; F312-I331 HydrophobicContact CE2-CD1 4.19Å; F312-I331 HydrophobicContact CE2-CG2 3.5Å; F312-I331 VanDerWaalsContact CE2-CG2 3.5Å; F312-I331 HydrophobicContact CG-CG2 4.17Å; F312-I331 HydrophobicContact CZ-CB 4.17Å; F312-I331 HydrophobicContact CZ-CD1 3.51Å; F312-I331 HydrophobicContact CZ-CG1 4.41Å; F312-I331 HydrophobicContact CZ-CG2 3.62Å; F312-A333 HydrophobicContact CB-CB 4.15Å; F312-A333 HydrophobicContact CD2-CB 4.3Å; F312-L351 HydrophobicContact CD2-CD1 4.06Å; F312-L351 HydrophobicContact CE2-CD1 3.59Å |
| 313 | G | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 8.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | S258 G275 Y311 S315 G332 | S258-G313 PolarHBondContact OG-O 2.84Å; G275-G313 WeakPolarHBondContact CA-O 3.48Å; Y311-G313 PolarHBondContact O-N 3.26Å; G313-S315 PolarHBondContact O-N 2.8Å; G313-G332 PolarHBondContact N-O 3.2Å |
| 314 | H | 98.6 | Very high | 95.5 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -55 | -41.8 | 170.5 | 177.1 | -87.3 | 0 | 0 | 0 | 112.2 | Y257 S258 Y311 G332 P334 S380 | Y257-H314 AromaticContact CE1-CD2 3.51Å; Y257-H314 AromaticContact CE1-NE2 3.87Å; S258-H314 VanDerWaalsContact CB-O 3.31Å; S258-H314 WeakPolarHBondContact CB-O 3.06Å; Y311-H314 HydrophobicContact CD1-CB 3.91Å; Y311-H314 AromaticContact CD1-CD2 3.58Å; Y311-H314 AromaticContact CE1-CD2 3.81Å; Y311-H314 VanDerWaalsContact O-CB 3.32Å; Y311-H314 WeakPolarHBondContact O-CB 3.41Å; Y311-H314 PolarHBondContact O-N 2.94Å; H314-G332 PolarHBondContact N-O 2.77Å; H314-P334 HydrophobicContact CB-CG 3.71Å; H314-S380 PolarHBondContact CE1-O 3.06Å; H314-S380 PolarHBondContact ND1-O 2.86Å |
| 315 | S | 98.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.3 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 109.4 | G313 G332 G379 L382 | G313-S315 PolarHBondContact O-N 2.8Å; S315-G332 PolarHBondContact O-N 3.13Å; S315-G332 WeakPolarHBondContact OG-CA 3.37Å; S315-G379 PolarHBondContact OG-O 2.9Å; S315-L382 WeakPolarHBondContact OG-CG 3.41Å |
| 316 | V | 98.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.9 | 177.2 | -66 | 0 | 0 | 0 | 0 | 109.3 | A260 V273 V286 L330 | A260-V316 HydrophobicContact CB-CG2 3.84Å; V273-V316 HydrophobicContact CG1-CB 4.09Å; V273-V316 HydrophobicContact CG1-CG1 4.17Å; V273-V316 HydrophobicContact CG1-CG2 4.34Å; V286-V316 HydrophobicContact CG1-CG1 3.94Å; V286-V316 HydrophobicContact CG2-CG1 3.96Å; V316-L330 WeakPolarHBondContact CA-O 3.29Å |
| 317 | A | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L330 L382 V384 | A317-L330 HydrophobicContact CB-CB 4.35Å; A317-L330 PolarHBondContact N-O 3.31Å; A317-L330 PolarHBondContact O-N 2.77Å; A317-L382 HydrophobicContact CB-CB 3.82Å; A317-L382 HydrophobicContact CB-CD1 4.34Å; A317-V384 HydrophobicContact CB-CG2 4.25Å |
| 318 | V | 97.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.9 | -177.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | A260 L264 V273 D327 D328 | A260-V318 HydrophobicContact CB-CG2 3.95Å; L264-V318 HydrophobicContact CD2-CG1 4.35Å; V273-V318 HydrophobicContact CB-CG2 4.23Å; V273-V318 HydrophobicContact CG2-CG2 3.58Å; V318-D327 HydrophobicContact CG1-CB 3.58Å; V318-D328 VanDerWaalsContact CA-O 3.26Å; V318-D328 WeakPolarHBondContact CA-O 3.5Å |
| 319 | A | 95.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 147 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V321 D328 V384 I396 | A319-V321 HydrophobicContact CB-CG1 4.04Å; A319-V321 PolarHBondContact O-N 2.91Å; A319-D328 PolarHBondContact N-O 2.79Å; A319-D328 WeakPolarHBondContact O-CA 3.38Å; A319-D328 WeakPolarHBondContact O-CB 3.23Å; A319-D328 PolarHBondContact O-N 3.44Å; A319-V384 HydrophobicContact CB-CB 4.36Å; A319-V384 HydrophobicContact CB-CG1 3.68Å; A319-V384 HydrophobicContact CB-CG2 3.72Å; A319-I396 HydrophobicContact CB-CD1 4.08Å |
| 320 | D | 96.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | trans | -82.5 | 88.5 | 169.5 | 176.4 | 4 | 0 | 0 | 0 | 109.2 | N322 S323 D324 G325 L326 Q394 | D320-N322 PolarHBondContact OD1-OD1 3.38Å; D320-N322 VanDerWaalsContact OD1-OD1 3.1Å; D320-S323 WeakPolarHBondContact OD1-CA 3.28Å; D320-S323 PolarHBondContact OD1-N 3.15Å; D320-D324 PolarHBondContact OD1-N 3.09Å; D320-G325 WeakPolarHBondContact OD2-CA 3.41Å; D320-G325 PolarHBondContact OD2-N 2.88Å; D320-L326 WeakPolarHBondContact CA-O 3.34Å; D320-L326 VanDerWaalsContact CB-O 3.28Å; D320-L326 WeakPolarHBondContact CB-O 3.21Å; D320-Q394 WeakPolarHBondContact O-CB 3.43Å; D320-Q394 VanDerWaalsContact O-CG 3.3Å; D320-Q394 WeakPolarHBondContact O-CG 3.4Å | ||
| 321 | V | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -85.7 | -18.7 | -173.6 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | A319 D328 L352 L354 I396 G415 N416 L420 | A319-V321 HydrophobicContact CB-CG1 4.04Å; A319-V321 PolarHBondContact O-N 2.91Å; V321-D328 HydrophobicContact CG2-CB 4.34Å; V321-D328 VanDerWaalsContact CG2-OD2 3.24Å; V321-D328 WeakPolarHBondContact CG2-OD2 3.27Å; V321-D328 PolarHBondContact N-OD2 3.37Å; V321-L352 HydrophobicContact CG2-CD1 3.95Å; V321-L352 HydrophobicContact CG2-CD2 4.1Å; V321-L354 HydrophobicContact CG2-CD2 3.89Å; V321-I396 HydrophobicContact CG1-CD1 4.06Å; V321-I396 HydrophobicContact CG1-CG1 3.96Å; V321-G415 WeakPolarHBondContact O-CA 3.37Å; V321-N416 PolarHBondContact O-N 2.59Å; V321-L420 HydrophobicContact CB-CD2 4.11Å; V321-L420 HydrophobicContact CG1-CD2 4.06Å; V321-L420 HydrophobicContact CG2-CG 4.5Å |
| 322 | N | 95.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 11% | 0.112 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -102.3 | 1.5 | 179.2 | 72.9 | -10.9 | 0 | 0 | 0 | 113.8 | D320 D324 L354 Y393 N416 | D320-N322 PolarHBondContact OD1-OD1 3.38Å; D320-N322 VanDerWaalsContact OD1-OD1 3.1Å; N322-D324 VanDerWaalsContact C-N 3.28Å; N322-D324 PolarHBondContact ND2-OD2 2.79Å; N322-D324 PolarHBondContact O-N 3.44Å; N322-D324 PolarHBondContact OD1-N 3.43Å; N322-D324 PolarHBondContact OD1-OD1 3.22Å; N322-D324 PolarHBondContact OD1-OD2 3.49Å; N322-L354 HydrophobicContact CB-CD2 4.48Å; N322-Y393 VanDerWaalsContact O-CE1 3.29Å; N322-Y393 WeakPolarHBondContact O-CE1 3.36Å; N322-N416 WeakPolarHBondContact CA-O 3.45Å |
| 323 | S | 95.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 19.6 Ų | 19.6 | 46% | 0.455 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 57.9 | 37.3 | 177.2 | -153.8 | 0 | 0 | 0 | 0 | 112.8 | D320 G392 Y393 | D320-S323 WeakPolarHBondContact OD1-CA 3.28Å; D320-S323 PolarHBondContact OD1-N 3.15Å; S323-G392 WeakPolarHBondContact CB-O 3.34Å; S323-G392 PolarHBondContact OG-O 2.89Å; S323-Y393 VanDerWaalsContact CB-CD1 3.5Å |
| 324 | D | 93 | Very high | 96.7 | Very high | 81 Ų | 81 | 19.8 Ų | 19.8 | 43% | 0.433 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -95.3 | -2.8 | 177.3 | 79 | 12.1 | 0 | 0 | 0 | 113.7 | D320 N322 L326 | D320-D324 PolarHBondContact OD1-N 3.09Å; N322-D324 VanDerWaalsContact C-N 3.28Å; N322-D324 PolarHBondContact ND2-OD2 2.79Å; N322-D324 PolarHBondContact O-N 3.44Å; N322-D324 PolarHBondContact OD1-N 3.43Å; N322-D324 PolarHBondContact OD1-OD1 3.22Å; N322-D324 PolarHBondContact OD1-OD2 3.49Å; D324-L326 VanDerWaalsContact OD1-CB 3.25Å; D324-L326 WeakPolarHBondContact OD1-CB 3.12Å; D324-L326 PolarHBondContact OD1-N 3Å |
| 325 | G | 91.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 20.6 Ų | 20.6 | 63% | 0.629 | 13% | 0.133 | S | C | * | . | S | Bend | trans | 86.7 | 4.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D320 | D320-G325 WeakPolarHBondContact OD2-CA 3.41Å; D320-G325 PolarHBondContact OD2-N 2.88Å |
| 326 | L | 93.4 | Very high | 96.7 | Very high | 51 Ų | 51 | 21.1 Ų | 21.1 | 27% | 0.267 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -109.1 | 141.3 | 173.7 | -55 | 175.4 | 0 | 0 | 0 | 109.9 | D320 D324 Q355 | D320-L326 WeakPolarHBondContact CA-O 3.34Å; D320-L326 VanDerWaalsContact CB-O 3.28Å; D320-L326 WeakPolarHBondContact CB-O 3.21Å; D324-L326 VanDerWaalsContact OD1-CB 3.25Å; D324-L326 WeakPolarHBondContact OD1-CB 3.12Å; D324-L326 PolarHBondContact OD1-N 3Å; L326-Q355 HydrophobicContact CB-CB 3.99Å; L326-Q355 HydrophobicContact CB-CG 4.21Å; L326-Q355 HydrophobicContact CD1-CG 4.33Å |
| 327 | D | 95.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 23.5 Ų | 23.5 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | trans | -76.5 | 129.7 | 177.4 | -75.4 | -27.4 | 0 | 0 | 0 | 110.5 | G262 L263 L264 V318 Q355 | G262-D327 WeakPolarHBondContact CA-OD2 3.22Å; L263-D327 PolarHBondContact N-OD2 2.87Å; L264-D327 HydrophobicContact CD2-CB 4.1Å; L264-D327 WeakPolarHBondContact CD2-O 3.18Å; V318-D327 HydrophobicContact CG1-CB 3.58Å; D327-Q355 VanDerWaalsContact O-CB 3.24Å; D327-Q355 WeakPolarHBondContact O-CB 3.06Å; D327-Q355 PolarHBondContact O-NE2 3.37Å | ||
| 328 | D | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 160.1 | 175.3 | -51 | -56.5 | 0 | 0 | 0 | 111.6 | V318 A319 V321 L352 L354 Q355 | V318-D328 VanDerWaalsContact CA-O 3.26Å; V318-D328 WeakPolarHBondContact CA-O 3.5Å; A319-D328 PolarHBondContact N-O 2.79Å; A319-D328 WeakPolarHBondContact O-CA 3.38Å; A319-D328 WeakPolarHBondContact O-CB 3.23Å; A319-D328 PolarHBondContact O-N 3.44Å; V321-D328 HydrophobicContact CG2-CB 4.34Å; V321-D328 VanDerWaalsContact CG2-OD2 3.24Å; V321-D328 WeakPolarHBondContact CG2-OD2 3.27Å; V321-D328 PolarHBondContact N-OD2 3.37Å; D328-L352 HydrophobicContact CB-CD1 4.13Å; D328-L354 HydrophobicContact CB-CD2 4.1Å; D328-L354 VanDerWaalsContact CG-CD2 3.44Å; D328-L354 VanDerWaalsContact OD1-CA 3.22Å; D328-L354 WeakPolarHBondContact OD1-CA 3.36Å; D328-L354 WeakPolarHBondContact OD1-CD2 3.46Å; D328-L354 WeakPolarHBondContact OD2-CD2 3.39Å; D328-Q355 PolarHBondContact OD1-N 2.93Å |
| 329 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.6 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | L264 V273 F303 I331 Y353 F361 | L264-V329 HydrophobicContact CD1-CG2 4.21Å; L264-V329 HydrophobicContact CD2-CG2 3.79Å; V273-V329 HydrophobicContact CG1-CG1 4.16Å; F303-V329 HydrophobicContact CE2-CB 4.48Å; F303-V329 HydrophobicContact CE2-CG1 4.16Å; F303-V329 HydrophobicContact CE2-CG2 4.41Å; F303-V329 HydrophobicContact CZ-CB 4.3Å; F303-V329 HydrophobicContact CZ-CG1 4.44Å; F303-V329 HydrophobicContact CZ-CG2 4.27Å; V329-I331 HydrophobicContact CG1-CD1 4.3Å; V329-I331 HydrophobicContact CG1-CG1 4Å; V329-Y353 PolarHBondContact N-O 3.4Å; V329-Y353 PolarHBondContact O-N 2.63Å; V329-F361 HydrophobicContact CG2-CE1 4.08Å; V329-F361 HydrophobicContact CG2-CZ 4.08Å |
| 330 | L | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.1 | 171.9 | -64 | 96.7 | 0 | 0 | 0 | 111 | V316 A317 V350 L351 L352 L382 I396 L420 | V316-L330 WeakPolarHBondContact CA-O 3.29Å; A317-L330 HydrophobicContact CB-CB 4.35Å; A317-L330 PolarHBondContact N-O 3.31Å; A317-L330 PolarHBondContact O-N 2.77Å; L330-V350 HydrophobicContact CD2-CG1 4.32Å; L330-L351 WeakPolarHBondContact CA-O 3.49Å; L330-L352 HydrophobicContact CD1-CD1 4.1Å; L330-L352 HydrophobicContact CD2-CD1 4.33Å; L330-L352 HydrophobicContact CG-CD1 3.81Å; L330-L382 HydrophobicContact CB-CD1 4.03Å; L330-I396 HydrophobicContact CD1-CD1 4.15Å; L330-I396 HydrophobicContact CD1-CG1 4.49Å; L330-I396 HydrophobicContact CD2-CD1 4.42Å; L330-I396 HydrophobicContact CD2-CG1 4.01Å; L330-I396 HydrophobicContact CD2-CG2 4.07Å; L330-L420 HydrophobicContact CD2-CD1 3.87Å |
| 331 | I | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126 | -176.5 | -55.4 | 171.5 | 0 | 0 | 0 | 110 | V286 F303 F312 V329 V350 L351 Y353 | V286-I331 HydrophobicContact CB-CD1 3.71Å; V286-I331 HydrophobicContact CB-CG1 4.31Å; V286-I331 HydrophobicContact CG1-CD1 4.07Å; V286-I331 HydrophobicContact CG1-CG1 4.35Å; V286-I331 HydrophobicContact CG2-CB 4.39Å; V286-I331 HydrophobicContact CG2-CD1 3.74Å; V286-I331 HydrophobicContact CG2-CG1 3.95Å; V286-I331 HydrophobicContact CG2-CG2 3.57Å; F303-I331 HydrophobicContact CB-CD1 3.78Å; F303-I331 HydrophobicContact CD1-CD1 4.45Å; F303-I331 HydrophobicContact CD2-CD1 4.02Å; F303-I331 HydrophobicContact CG-CD1 3.84Å; F312-I331 HydrophobicContact CD1-CG2 4.24Å; F312-I331 HydrophobicContact CD2-CG2 3.8Å; F312-I331 HydrophobicContact CE1-CD1 4.16Å; F312-I331 HydrophobicContact CE1-CG2 3.98Å; F312-I331 HydrophobicContact CE2-CB 4.05Å; F312-I331 HydrophobicContact CE2-CD1 4.19Å; F312-I331 HydrophobicContact CE2-CG2 3.5Å; F312-I331 VanDerWaalsContact CE2-CG2 3.5Å; F312-I331 HydrophobicContact CG-CG2 4.17Å; F312-I331 HydrophobicContact CZ-CB 4.17Å; F312-I331 HydrophobicContact CZ-CD1 3.51Å; F312-I331 HydrophobicContact CZ-CG1 4.41Å; F312-I331 HydrophobicContact CZ-CG2 3.62Å; V329-I331 HydrophobicContact CG1-CD1 4.3Å; V329-I331 HydrophobicContact CG1-CG1 4Å; I331-V350 WeakPolarHBondContact O-CA 3.4Å; I331-L351 PolarHBondContact N-O 3.35Å; I331-L351 PolarHBondContact O-N 2.95Å; I331-Y353 HydrophobicContact CD1-CD2 4.11Å; I331-Y353 HydrophobicContact CD1-CE2 3.97Å |
| 332 | G | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | G313 H314 S315 | G313-G332 PolarHBondContact N-O 3.2Å; H314-G332 PolarHBondContact N-O 2.77Å; S315-G332 PolarHBondContact O-N 3.13Å; S315-G332 WeakPolarHBondContact OG-CA 3.37Å |
| 333 | A | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 76.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S310 F312 L335 F336 G348 Q349 | S310-A333 CarbonylContact O-C 3.53Å; F312-A333 HydrophobicContact CB-CB 4.15Å; F312-A333 HydrophobicContact CD2-CB 4.3Å; A333-L335 PolarHBondContact O-N 2.08Å; A333-F336 HydrophobicContact CB-CB 4.23Å; A333-F336 VanDerWaalsContact O-CB 3.25Å; A333-F336 WeakPolarHBondContact O-CB 3.34Å; A333-F336 PolarHBondContact O-N 2.79Å; A333-F336 VanDerWaalsContact O-N 3.1Å; A333-G348 WeakPolarHBondContact O-CA 3.48Å; A333-Q349 PolarHBondContact N-O 3.14Å; A333-Q349 PolarHBondContact O-N 3.1Å |
| 334 | P | 98.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.5 | -168.5 | 23.5 | -33.3 | 0 | 0 | 0 | 114.4 | H314 G348 R377 F378 | H314-P334 HydrophobicContact CB-CG 3.71Å; P334-G348 VanDerWaalsContact O-CA 3.24Å; P334-G348 WeakPolarHBondContact O-CA 3.43Å; P334-R377 HydrophobicContact CB-CB 4.02Å; P334-R377 WeakPolarHBondContact O-CA 3.33Å; P334-F378 WeakPolarHBondContact CA-O 3.08Å |
| 335 | L | 98.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 11.6 | 179.6 | -54.5 | -177.8 | 0 | 0 | 0 | 112.6 | A309 S310 Y311 A333 M337 R377 | A309-L335 WeakPolarHBondContact O-CB 3.49Å; S310-L335 PolarHBondContact O-N 2.86Å; S310-L335 VanDerWaalsContact O-N 3.12Å; Y311-L335 HydrophobicContact CG-CD1 4.45Å; A333-L335 PolarHBondContact O-N 2.08Å; L335-M337 PolarHBondContact O-N 2.83Å; L335-R377 HydrophobicContact CD2-CG 4.2Å |
| 336 | F | 98 | Very high | 92.9 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | trans | -58.8 | 131.6 | 177.3 | 178 | -95.5 | 0 | 0 | 0 | 111.8 | Q307 A333 D338 R347 G348 Q349 I370 | Q307-F336 HydrophobicContact CB-CD2 4.26Å; Q307-F336 HydrophobicContact CB-CE2 4.32Å; A333-F336 HydrophobicContact CB-CB 4.23Å; A333-F336 VanDerWaalsContact O-CB 3.25Å; A333-F336 WeakPolarHBondContact O-CB 3.34Å; A333-F336 PolarHBondContact O-N 2.79Å; A333-F336 VanDerWaalsContact O-N 3.1Å; F336-D338 HydrophobicContact CE1-CB 4.11Å; F336-R347 PolarHBondContact O-N 3.05Å; F336-G348 PolarHBondContact O-N 2.9Å; F336-Q349 HydrophobicContact CB-CB 3.69Å; F336-Q349 HydrophobicContact CD1-CB 3.69Å; F336-Q349 HydrophobicContact CD1-CG 4.39Å; F336-Q349 HydrophobicContact CD2-CB 4.4Å; F336-Q349 VanDerWaalsContact CD2-OE1 3.29Å; F336-Q349 HydrophobicContact CE1-CB 4.43Å; F336-Q349 HydrophobicContact CG-CB 3.67Å; F336-I370 HydrophobicContact CE1-CD1 4.43Å | ||
| 337 | M | 94.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.7 | 175.3 | -64.4 | -178.2 | -75.5 | 0 | 0 | 111 | Q307 L335 L344 Q345 E346 | Q307-M337 PolarHBondContact NE2-O 2.86Å; L335-M337 PolarHBondContact O-N 2.83Å; M337-L344 HydrophobicContact CB-CB 4.21Å; M337-L344 HydrophobicContact CB-CD2 4.14Å; M337-L344 HydrophobicContact CE-CD1 4.36Å; M337-L344 HydrophobicContact SD-CB 4.1Å; M337-L344 HydrophobicContact SD-CD1 4.29Å; M337-Q345 CarbonylContact C-O 3.57Å; M337-Q345 VanDerWaalsContact CA-O 3.25Å; M337-Q345 WeakPolarHBondContact CA-O 3.33Å; M337-E346 HydrophobicContact CG-CB 4.33Å |
| 338 | D | 93.2 | Very high | 93 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.2 | 172.6 | -175.4 | 20.7 | 0 | 0 | 0 | 110.3 | F336 V340 L344 Q345 R347 I370 | F336-D338 HydrophobicContact CE1-CB 4.11Å; D338-V340 WeakPolarHBondContact OD2-CG2 3.46Å; D338-L344 WeakPolarHBondContact O-CA 3.38Å; D338-Q345 PolarHBondContact N-O 2.84Å; D338-Q345 PolarHBondContact O-N 3.07Å; D338-R347 HydrophobicContact CB-CB 4.47Å; D338-R347 HydrophobicContact CB-CG 4.36Å; D338-R347 IonicContact OD2-NH1 2.59Å; D338-R347 PolarHBondContact OD2-NH1 3Å; D338-R347 VanDerWaalsContact OD2-NH1 3.09Å; D338-I370 HydrophobicContact CB-CG2 4.09Å |
| 339 | R | 85.6 | Confident | 93.1 | Very high | 167 Ų | 167 | 47.2 Ų | 47.2 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 90.9 | -176.7 | -164.3 | 179.2 | -112.2 | -87.3 | -0.7 | 110.1 | G342 Q343 L344 | R339-G342 PolarHBondContact NH1-O 3.16Å; R339-Q343 CarbonylContact C-O 3.5Å; R339-Q343 WeakPolarHBondContact CA-O 3.43Å; R339-L344 HydrophobicContact CB-CD2 4.32Å; R339-L344 HydrophobicContact CG-CD2 4.44Å |
| 340 | V | 81.1 | Confident | 93.1 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.1 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | D338 G342 Q343 | D338-V340 WeakPolarHBondContact OD2-CG2 3.46Å; V340-G342 PolarHBondContact O-N 3.34Å; V340-G342 VanDerWaalsContact O-N 3.08Å; V340-Q343 PolarHBondContact N-O 3.44Å; V340-Q343 PolarHBondContact O-N 3.25Å |
| 341 | M | 79.5 | Confident | 93 | Very high | 186 Ų | 186 | 47.5 Ų | 47.5 | 92% | 0.916 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.8 | -176.8 | -61.1 | -176.8 | -70 | 0 | 0 | 113.7 | Q343 | M341-Q343 VanDerWaalsContact C-N 3.32Å; M341-Q343 PolarHBondContact O-N 3.16Å |
| 342 | G | 78.3 | Confident | 93 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -3.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R339 V340 | R339-G342 PolarHBondContact NH1-O 3.16Å; V340-G342 PolarHBondContact O-N 3.34Å; V340-G342 VanDerWaalsContact O-N 3.08Å |
| 343 | Q | 85.6 | Confident | 93 | Very high | 137 Ų | 137 | 47.9 Ų | 47.9 | 64% | 0.64 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142.8 | 174.1 | -67 | -174.6 | -14.8 | 0 | 0 | 111.2 | R339 V340 M341 | R339-Q343 CarbonylContact C-O 3.5Å; R339-Q343 WeakPolarHBondContact CA-O 3.43Å; V340-Q343 PolarHBondContact N-O 3.44Å; V340-Q343 PolarHBondContact O-N 3.25Å; M341-Q343 VanDerWaalsContact C-N 3.32Å; M341-Q343 PolarHBondContact O-N 3.16Å |
| 344 | L | 88.9 | Confident | 92.8 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.9 | 173.2 | -69.4 | 174.5 | 0 | 0 | 0 | 109.6 | M337 D338 R339 | M337-L344 HydrophobicContact CB-CB 4.21Å; M337-L344 HydrophobicContact CB-CD2 4.14Å; M337-L344 HydrophobicContact CE-CD1 4.36Å; M337-L344 HydrophobicContact SD-CB 4.1Å; M337-L344 HydrophobicContact SD-CD1 4.29Å; D338-L344 WeakPolarHBondContact O-CA 3.38Å; R339-L344 HydrophobicContact CB-CD2 4.32Å; R339-L344 HydrophobicContact CG-CD2 4.44Å |
| 345 | Q | 93.5 | Very high | 92.6 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.4 | 177.3 | -63.6 | -179.4 | -6.1 | 0 | 0 | 108.6 | M337 D338 R347 I374 | M337-Q345 CarbonylContact C-O 3.57Å; M337-Q345 VanDerWaalsContact CA-O 3.25Å; M337-Q345 WeakPolarHBondContact CA-O 3.33Å; D338-Q345 PolarHBondContact N-O 2.84Å; D338-Q345 PolarHBondContact O-N 3.07Å; Q345-R347 HydrophobicContact CB-CG 4.22Å; Q345-R347 PolarHBondContact O-N 2.96Å; Q345-R347 VanDerWaalsContact O-N 3.11Å; Q345-I374 HydrophobicContact CB-CD1 4.5Å; Q345-I374 HydrophobicContact CB-CG1 4.41Å; Q345-I374 HydrophobicContact CB-CG2 4.45Å; Q345-I374 HydrophobicContact CG-CD1 4.27Å |
| 346 | E | 95.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 112.8 | 172 | -176.3 | -169.5 | 128.8 | 0 | 0 | 108.6 | M337 I374 Y375 R377 | M337-E346 HydrophobicContact CG-CB 4.33Å; E346-I374 CarbonylContact O-C 3.51Å; E346-I374 WeakPolarHBondContact O-CA 3.45Å; E346-Y375 HydrophobicContact CB-CD1 3.8Å; E346-Y375 HydrophobicContact CB-CE1 3.91Å; E346-Y375 HydrophobicContact CG-CD1 4.26Å; E346-Y375 PolarHBondContact O-N 2.81Å; E346-Y375 WeakPolarHBondContact OE2-CD1 3.45Å; E346-R377 IonicContact OE1-NE 3.32Å |
| 347 | R | 95.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | trans | -124.7 | -20.4 | 179.6 | -66.7 | -177.9 | 88.5 | -168.2 | 5.1 | 112.4 | F336 D338 Q345 I370 G371 Q372 F378 | F336-R347 PolarHBondContact O-N 3.05Å; D338-R347 HydrophobicContact CB-CB 4.47Å; D338-R347 HydrophobicContact CB-CG 4.36Å; D338-R347 IonicContact OD2-NH1 2.59Å; D338-R347 PolarHBondContact OD2-NH1 3Å; D338-R347 VanDerWaalsContact OD2-NH1 3.09Å; Q345-R347 HydrophobicContact CB-CG 4.22Å; Q345-R347 PolarHBondContact O-N 2.96Å; Q345-R347 VanDerWaalsContact O-N 3.11Å; R347-I370 HydrophobicContact CB-CG2 4.06Å; R347-G371 WeakPolarHBondContact CB-O 3.34Å; R347-G371 PolarHBondContact NE-O 3.39Å; R347-G371 PolarHBondContact NH2-O 2.76Å; R347-G371 WeakPolarHBondContact O-CA 3.27Å; R347-Q372 PolarHBondContact NE-O 3.45Å; R347-Q372 PolarHBondContact NH2-O 3.44Å; R347-F378 WeakPolarHBondContact O-CB 3.42Å | ||
| 348 | G | 97.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | 75.9 | 154.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A333 P334 F336 G371 F378 | A333-G348 WeakPolarHBondContact O-CA 3.48Å; P334-G348 VanDerWaalsContact O-CA 3.24Å; P334-G348 WeakPolarHBondContact O-CA 3.43Å; F336-G348 PolarHBondContact O-N 2.9Å; G348-G371 PolarHBondContact O-N 3.33Å; G348-F378 CarbonylContact C-O 3.59Å; G348-F378 WeakPolarHBondContact CA-O 3.17Å |
| 349 | Q | 97.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148.7 | -175.3 | -173.9 | -178.3 | 40.3 | 0 | 0 | 110.7 | A333 F336 L351 S368 L369 I370 F378 | A333-Q349 PolarHBondContact N-O 3.14Å; A333-Q349 PolarHBondContact O-N 3.1Å; F336-Q349 HydrophobicContact CB-CB 3.69Å; F336-Q349 HydrophobicContact CD1-CB 3.69Å; F336-Q349 HydrophobicContact CD1-CG 4.39Å; F336-Q349 HydrophobicContact CD2-CB 4.4Å; F336-Q349 VanDerWaalsContact CD2-OE1 3.29Å; F336-Q349 HydrophobicContact CE1-CB 4.43Å; F336-Q349 HydrophobicContact CG-CB 3.67Å; Q349-L351 HydrophobicContact CG-CD2 4.08Å; Q349-L351 HydrophobicContact CG-CG 4.14Å; Q349-S368 PolarHBondContact NE2-OG 3.05Å; Q349-L369 CarbonylContact C-O 3.54Å; Q349-L369 VanDerWaalsContact CA-O 3.31Å; Q349-L369 WeakPolarHBondContact CA-O 3.1Å; Q349-I370 HydrophobicContact CG-CG1 4.3Å; Q349-F378 PolarHBondContact N-O 2.89Å |
| 350 | V | 98.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.5 | 166 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L330 I331 L369 F378 L382 V398 | L330-V350 HydrophobicContact CD2-CG1 4.32Å; I331-V350 WeakPolarHBondContact O-CA 3.4Å; V350-L369 HydrophobicContact CB-CB 4.37Å; V350-L369 PolarHBondContact N-O 3.3Å; V350-L369 PolarHBondContact O-N 2.93Å; V350-F378 HydrophobicContact CB-CE1 4.06Å; V350-F378 HydrophobicContact CG2-CD1 4.05Å; V350-F378 HydrophobicContact CG2-CE1 3.64Å; V350-F378 HydrophobicContact CG2-CZ 4.35Å; V350-L382 HydrophobicContact CG1-CD1 4.5Å; V350-L382 HydrophobicContact CG1-CD2 3.93Å; V350-L382 HydrophobicContact CG2-CD2 3.84Å; V350-V398 HydrophobicContact CG2-CG1 3.71Å; V350-V398 HydrophobicContact CG2-CG2 4.37Å |
| 351 | L | 98.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.8 | -178.7 | -67.3 | 171.5 | 0 | 0 | 0 | 109.3 | F312 L330 I331 Q349 Y353 P365 | F312-L351 HydrophobicContact CD2-CD1 4.06Å; F312-L351 HydrophobicContact CE2-CD1 3.59Å; L330-L351 WeakPolarHBondContact CA-O 3.49Å; I331-L351 PolarHBondContact N-O 3.35Å; I331-L351 PolarHBondContact O-N 2.95Å; Q349-L351 HydrophobicContact CG-CD2 4.08Å; Q349-L351 HydrophobicContact CG-CG 4.14Å; L351-Y353 HydrophobicContact CB-CE2 4Å; L351-P365 HydrophobicContact CB-CB 4.15Å; L351-P365 HydrophobicContact CD2-CB 3.86Å; L351-P365 HydrophobicContact CD2-CG 3.72Å; L351-P365 HydrophobicContact CG-CB 4.48Å |
| 352 | L | 98.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.7 | 176.5 | 174.9 | 66.9 | 0 | 0 | 0 | 109.4 | V321 D328 L330 L354 D366 Q367 L420 | V321-L352 HydrophobicContact CG2-CD1 3.95Å; V321-L352 HydrophobicContact CG2-CD2 4.1Å; D328-L352 HydrophobicContact CB-CD1 4.13Å; L330-L352 HydrophobicContact CD1-CD1 4.1Å; L330-L352 HydrophobicContact CD2-CD1 4.33Å; L330-L352 HydrophobicContact CG-CD1 3.81Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CD2-CD2 3.92Å; L352-L354 HydrophobicContact CD2-CG 4.33Å; L352-L354 HydrophobicContact CG-CD2 4.09Å; L352-L354 HydrophobicContact CG-CG 4.35Å; L352-D366 PolarHBondContact O-N 3.26Å; L352-Q367 HydrophobicContact CB-CB 4.15Å; L352-Q367 HydrophobicContact CD2-CB 4.32Å; L352-Q367 HydrophobicContact CD2-CG 4.25Å; L352-Q367 PolarHBondContact N-O 2.89Å; L352-Q367 PolarHBondContact O-N 2.89Å; L352-L420 HydrophobicContact CD2-CD1 4.41Å; L352-L420 HydrophobicContact CD2-CG 4.13Å |
| 353 | Y | 97.3 | Very high | 90 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.1 | 171.4 | -68.3 | -94.4 | 0 | 0 | 0 | 108.5 | F303 V329 I331 L351 P365 | F303-Y353 AromaticContact CD1-CD1 3.73Å; F303-Y353 HydrophobicContact CD1-CD1 3.73Å; F303-Y353 AromaticContact CD1-CD2 3.95Å; F303-Y353 HydrophobicContact CD1-CD2 3.95Å; F303-Y353 AromaticContact CD1-CE1 3.82Å; F303-Y353 HydrophobicContact CD1-CE1 3.82Å; F303-Y353 HydrophobicContact CD1-CE2 4.05Å; F303-Y353 AromaticContact CD1-CG 3.79Å; F303-Y353 HydrophobicContact CD1-CG 3.79Å; F303-Y353 AromaticContact CD1-CZ 3.97Å; F303-Y353 AromaticContact CE1-CD1 3.71Å; F303-Y353 HydrophobicContact CE1-CD1 3.71Å; F303-Y353 HydrophobicContact CE1-CD2 4.13Å; F303-Y353 HydrophobicContact CE1-CE1 4.27Å; F303-Y353 AromaticContact CE1-CG 3.62Å; F303-Y353 HydrophobicContact CE1-CG 3.62Å; V329-Y353 PolarHBondContact N-O 3.4Å; V329-Y353 PolarHBondContact O-N 2.63Å; I331-Y353 HydrophobicContact CD1-CD2 4.11Å; I331-Y353 HydrophobicContact CD1-CE2 3.97Å; L351-Y353 HydrophobicContact CB-CE2 4Å; Y353-P365 HydrophobicContact CD1-CB 4.5Å; Y353-P365 HydrophobicContact CD2-CB 4.49Å; Y353-P365 HydrophobicContact CE1-CB 4.01Å; Y353-P365 HydrophobicContact CE2-CB 3.99Å |
| 354 | L | 95.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 130.2 | 178.7 | -64.9 | 175.6 | 0 | 0 | 0 | 109.7 | V321 N322 D328 L352 K356 D366 | V321-L354 HydrophobicContact CG2-CD2 3.89Å; N322-L354 HydrophobicContact CB-CD2 4.48Å; D328-L354 HydrophobicContact CB-CD2 4.1Å; D328-L354 VanDerWaalsContact CG-CD2 3.44Å; D328-L354 VanDerWaalsContact OD1-CA 3.22Å; D328-L354 WeakPolarHBondContact OD1-CA 3.36Å; D328-L354 WeakPolarHBondContact OD1-CD2 3.46Å; D328-L354 WeakPolarHBondContact OD2-CD2 3.39Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CD2-CD2 3.92Å; L352-L354 HydrophobicContact CD2-CG 4.33Å; L352-L354 HydrophobicContact CG-CD2 4.09Å; L352-L354 HydrophobicContact CG-CG 4.35Å; L354-K356 PolarHBondContact O-N 2.9Å; L354-D366 HydrophobicContact CB-CB 4.46Å; L354-D366 HydrophobicContact CD1-CB 4.08Å; L354-D366 HydrophobicContact CG-CB 4.04Å; L354-D366 PolarHBondContact N-OD2 2.91Å |
| 355 | Q | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 129.3 | 176.3 | -170 | -179.4 | 165.8 | 0 | 0 | 109.5 | L263 L326 D327 D328 S359 F361 | L263-Q355 PolarHBondContact O-NE2 3.31Å; L326-Q355 HydrophobicContact CB-CB 3.99Å; L326-Q355 HydrophobicContact CB-CG 4.21Å; L326-Q355 HydrophobicContact CD1-CG 4.33Å; D327-Q355 VanDerWaalsContact O-CB 3.24Å; D327-Q355 WeakPolarHBondContact O-CB 3.06Å; D327-Q355 PolarHBondContact O-NE2 3.37Å; D328-Q355 PolarHBondContact OD1-N 2.93Å; Q355-S359 PolarHBondContact OE1-OG 3.45Å; Q355-F361 HydrophobicContact CB-CE1 3.7Å; Q355-F361 HydrophobicContact CB-CZ 3.96Å; Q355-F361 HydrophobicContact CG-CE1 4.1Å; Q355-F361 HydrophobicContact CG-CZ 3.89Å |
| 356 | K | 88 | Confident | 89.8 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -99.4 | 166 | 177.1 | -48.9 | -58.4 | 178.6 | -175.4 | 0 | 110.8 | L354 K358 S359 S360 D366 | L354-K356 PolarHBondContact O-N 2.9Å; K356-K358 PolarHBondContact O-N 3.25Å; K356-S359 PolarHBondContact O-N 2.93Å; K356-S360 WeakPolarHBondContact CB-O 3.42Å; K356-S360 PolarHBondContact N-O 2.9Å; K356-D366 WeakPolarHBondContact CE-OD1 3.22Å; K356-D366 IonicContact NZ-OD1 3.25Å; K356-D366 PolarHBondContact NZ-OD1 2.99Å |
| 357 | K | 77.3 | Confident | 89.7 | Confident | 185 Ų | 185 | 48.8 Ų | 48.8 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.2 | 173.9 | -66.6 | 179.8 | -177.8 | 170.3 | 0 | 110.5 | S359 | K357-S359 VanDerWaalsContact C-N 3.34Š|
| 358 | K | 76.3 | Confident | 89.7 | Confident | 207 Ų | 207 | 48.9 Ų | 48.9 | 90% | 0.9 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 16.7 | -169.7 | -49.7 | 172.8 | 177.9 | 173.7 | 0 | 114.8 | K356 S360 | K356-K358 PolarHBondContact O-N 3.25Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.24Å |
| 359 | S | 79.5 | Confident | 89.6 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 41 | 174 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | L264 G266 Q355 K356 K357 | L264-S359 WeakPolarHBondContact O-CB 3.46Å; G266-S359 WeakPolarHBondContact CA-OG 3.41Å; G266-S359 PolarHBondContact N-OG 2.86Å; Q355-S359 PolarHBondContact OE1-OG 3.45Å; K356-S359 PolarHBondContact O-N 2.93Å; K357-S359 VanDerWaalsContact C-N 3.34Å |
| 360 | S | 85.4 | Confident | 89.5 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -107.2 | 151.7 | 174.1 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | K356 K358 | K356-S360 WeakPolarHBondContact CB-O 3.42Å; K356-S360 PolarHBondContact N-O 2.9Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.24Å |
| 361 | F | 88.3 | Confident | 89.3 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | trans | -113 | 154 | 172 | -62.6 | -84.7 | 0 | 0 | 0 | 110.1 | L264 I288 Y301 F303 V329 Q355 | L264-F361 HydrophobicContact CD2-CZ 3.95Å; I288-F361 HydrophobicContact CD1-CD2 4.36Å; I288-F361 HydrophobicContact CD1-CE2 3.64Å; I288-F361 HydrophobicContact CD1-CZ 4.15Å; Y301-F361 HydrophobicContact CD1-CD2 4.17Å; Y301-F361 HydrophobicContact CE1-CB 4.05Å; Y301-F361 HydrophobicContact CE1-CD2 4.27Å; Y301-F361 HydrophobicContact CE1-CG 4.46Å; Y301-F361 HydrophobicContact CE2-CB 4.49Å; Y301-F361 HydrophobicContact CG-CD2 4.34Å; F303-F361 HydrophobicContact CE1-CB 3.88Å; F303-F361 HydrophobicContact CE1-CD1 4.07Å; F303-F361 HydrophobicContact CE1-CD2 4.21Å; F303-F361 AromaticContact CE1-CG 3.77Å; F303-F361 HydrophobicContact CE1-CG 3.77Å; F303-F361 HydrophobicContact CZ-CB 4.35Å; F303-F361 AromaticContact CZ-CD1 3.99Å; F303-F361 HydrophobicContact CZ-CD1 3.99Å; F303-F361 AromaticContact CZ-CD2 3.82Å; F303-F361 HydrophobicContact CZ-CD2 3.82Å; F303-F361 HydrophobicContact CZ-CE1 4.25Å; F303-F361 HydrophobicContact CZ-CE2 4.12Å; F303-F361 AromaticContact CZ-CG 3.76Å; F303-F361 HydrophobicContact CZ-CG 3.76Å; F303-F361 HydrophobicContact CZ-CZ 4.33Å; V329-F361 HydrophobicContact CG2-CE1 4.08Å; V329-F361 HydrophobicContact CG2-CZ 4.08Å; Q355-F361 HydrophobicContact CB-CE1 3.7Å; Q355-F361 HydrophobicContact CB-CZ 3.96Å; Q355-F361 HydrophobicContact CG-CE1 4.1Å; Q355-F361 HydrophobicContact CG-CZ 3.89Å | ||
| 362 | S | 82.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | trans | -64.3 | 149.9 | 169.2 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | Q364 | S362-Q364 WeakPolarHBondContact CB-O 3.25Å; S362-Q364 PolarHBondContact O-N 3.4Å | ||
| 363 | S | 76.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 58% | 0.58 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -69.3 | -21.6 | 175.5 | 60 | 0 | 0 | 0 | 0 | 113 | ||
| 364 | Q | 82.1 | Confident | 88.4 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -114.2 | 153.2 | 173.2 | -65 | -61.4 | -39.1 | 0 | 0 | 109.8 | S362 | S362-Q364 WeakPolarHBondContact CB-O 3.25Å; S362-Q364 PolarHBondContact O-N 3.4Å |
| 365 | P | 90.9 | Very high | 88.3 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | trans | -63.6 | 138.3 | 175.3 | 26.8 | -34.1 | 0 | 0 | 0 | 111 | L351 Y353 Q367 | L351-P365 HydrophobicContact CB-CB 4.15Å; L351-P365 HydrophobicContact CD2-CB 3.86Å; L351-P365 HydrophobicContact CD2-CG 3.72Å; L351-P365 HydrophobicContact CG-CB 4.48Å; Y353-P365 HydrophobicContact CD1-CB 4.5Å; Y353-P365 HydrophobicContact CD2-CB 4.49Å; Y353-P365 HydrophobicContact CE1-CB 4.01Å; Y353-P365 HydrophobicContact CE2-CB 3.99Å; P365-Q367 VanDerWaalsContact C-N 3.29Å; P365-Q367 PolarHBondContact O-N 3.45Å | ||
| 366 | D | 91.1 | Very high | 88.4 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.1 | -32.7 | 175.7 | -65.7 | -95.7 | 0 | 0 | 0 | 111.3 | L352 L354 K356 | L352-D366 PolarHBondContact O-N 3.26Å; L354-D366 HydrophobicContact CB-CB 4.46Å; L354-D366 HydrophobicContact CD1-CB 4.08Å; L354-D366 HydrophobicContact CG-CB 4.04Å; L354-D366 PolarHBondContact N-OD2 2.91Å; K356-D366 WeakPolarHBondContact CE-OD1 3.22Å; K356-D366 IonicContact NZ-OD1 3.25Å; K356-D366 PolarHBondContact NZ-OD1 2.99Å |
| 367 | Q | 94.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151 | 174.2 | -58 | -178 | -22.9 | 0 | 0 | 112.3 | L352 P365 N418 L420 | L352-Q367 HydrophobicContact CB-CB 4.15Å; L352-Q367 HydrophobicContact CD2-CB 4.32Å; L352-Q367 HydrophobicContact CD2-CG 4.25Å; L352-Q367 PolarHBondContact N-O 2.89Å; L352-Q367 PolarHBondContact O-N 2.89Å; P365-Q367 VanDerWaalsContact C-N 3.29Å; P365-Q367 PolarHBondContact O-N 3.45Å; Q367-N418 PolarHBondContact NE2-O 3.08Å; Q367-L420 PolarHBondContact NE2-O 3.39Å; Q367-L420 VanDerWaalsContact NE2-O 3.08Å; Q367-L420 PolarHBondContact OE1-O 2.9Å |
| 368 | S | 94.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.5 | 175.6 | 163.2 | 0 | 0 | 0 | 0 | 110.5 | Q349 | Q349-S368 PolarHBondContact NE2-OG 3.05Å |
| 369 | L | 96.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.6 | 175.8 | -53.5 | 177.9 | 0 | 0 | 0 | 108.9 | Q349 V350 F378 Y413 L420 | Q349-L369 CarbonylContact C-O 3.54Å; Q349-L369 VanDerWaalsContact CA-O 3.31Å; Q349-L369 WeakPolarHBondContact CA-O 3.1Å; V350-L369 HydrophobicContact CB-CB 4.37Å; V350-L369 PolarHBondContact N-O 3.3Å; V350-L369 PolarHBondContact O-N 2.93Å; L369-F378 HydrophobicContact CB-CE1 4.03Å; L369-F378 HydrophobicContact CB-CZ 4.3Å; L369-Y413 HydrophobicContact CD1-CD1 3.96Å; L369-Y413 HydrophobicContact CD1-CD2 4.28Å; L369-Y413 HydrophobicContact CD1-CE1 3.93Å; L369-Y413 HydrophobicContact CD1-CE2 4.25Å; L369-Y413 HydrophobicContact CD1-CG 4.13Å; L369-Y413 HydrophobicContact CD2-CD1 4.46Å; L369-Y413 HydrophobicContact CD2-CE1 4.07Å; L369-L420 HydrophobicContact CD1-CD1 4.02Å |
| 370 | I | 95.4 | Very high | 91.7 | Very high | 57 Ų | 57 | 51 Ų | 51 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.2 | -177.3 | -59.8 | 174.6 | 0 | 0 | 0 | 109.1 | F336 D338 R347 Q349 | F336-I370 HydrophobicContact CE1-CD1 4.43Å; D338-I370 HydrophobicContact CB-CG2 4.09Å; R347-I370 HydrophobicContact CB-CG2 4.06Å; Q349-I370 HydrophobicContact CG-CG1 4.3Å |
| 371 | G | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -61.4 | 149.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R347 G348 F378 | R347-G371 WeakPolarHBondContact CB-O 3.34Å; R347-G371 PolarHBondContact NE-O 3.39Å; R347-G371 PolarHBondContact NH2-O 2.76Å; R347-G371 WeakPolarHBondContact O-CA 3.27Å; G348-G371 PolarHBondContact O-N 3.33Å; G371-F378 VanDerWaalsContact CA-CB 3.47Å; G371-F378 VanDerWaalsContact CA-CG 3.48Å | ||
| 372 | Q | 89.3 | Confident | 92.8 | Very high | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -83.4 | -38.8 | -178.8 | -67.7 | -174.2 | -7.6 | 0 | 0 | 112.9 | R347 | R347-Q372 PolarHBondContact NE-O 3.45Å; R347-Q372 PolarHBondContact NH2-O 3.44Å |
| 373 | S | 91.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -88.7 | 142 | -176.4 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | G376 S403 | S373-G376 PolarHBondContact O-N 3.25Å; S373-S403 WeakPolarHBondContact OG-CB 3.36Å |
| 374 | I | 93.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 137.6 | 171.1 | -49.1 | 176.6 | 0 | 0 | 0 | 108.7 | Q345 E346 G376 | Q345-I374 HydrophobicContact CB-CD1 4.5Å; Q345-I374 HydrophobicContact CB-CG1 4.41Å; Q345-I374 HydrophobicContact CB-CG2 4.45Å; Q345-I374 HydrophobicContact CG-CD1 4.27Å; E346-I374 CarbonylContact O-C 3.51Å; E346-I374 WeakPolarHBondContact O-CA 3.45Å; I374-G376 PolarHBondContact O-N 2.9Å; I374-G376 VanDerWaalsContact O-N 3.09Å |
| 375 | Y | 94.6 | Very high | 95 | Very high | 153 Ų | 153 | 40.2 Ų | 40.2 | 60% | 0.6 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 15.5 | -175.2 | -51.1 | -63.9 | 0 | 0 | 0 | 114.3 | E346 R377 W402 | E346-Y375 HydrophobicContact CB-CD1 3.8Å; E346-Y375 HydrophobicContact CB-CE1 3.91Å; E346-Y375 HydrophobicContact CG-CD1 4.26Å; E346-Y375 PolarHBondContact O-N 2.81Å; E346-Y375 WeakPolarHBondContact OE2-CD1 3.45Å; Y375-R377 PolarHBondContact O-N 3Å; Y375-W402 WeakPolarHBondContact O-CB 3.17Å |
| 376 | G | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -72.9 | -17.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S373 I374 F378 A400 W402 | S373-G376 PolarHBondContact O-N 3.25Å; I374-G376 PolarHBondContact O-N 2.9Å; I374-G376 VanDerWaalsContact O-N 3.09Å; G376-F378 PolarHBondContact O-N 2.83Å; G376-A400 CarbonylContact O-C 3.59Å; G376-A400 WeakPolarHBondContact O-CA 3.31Å; G376-A400 WeakPolarHBondContact O-CB 3.38Å; G376-W402 PolarHBondContact O-N 2.82Å | ||
| 377 | R | 97.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 38.7 Ų | 38.7 | 41% | 0.408 | 20% | 0.198 | S | C | . | . | trans | 54.5 | 46.9 | -176.9 | -58.9 | -166.7 | -174.7 | 178.9 | -0.5 | 113.8 | P334 L335 E346 Y375 G379 S380 | P334-R377 HydrophobicContact CB-CB 4.02Å; P334-R377 WeakPolarHBondContact O-CA 3.33Å; L335-R377 HydrophobicContact CD2-CG 4.2Å; E346-R377 IonicContact OE1-NE 3.32Å; Y375-R377 PolarHBondContact O-N 3Å; R377-G379 PolarHBondContact O-N 3.43Å; R377-S380 WeakPolarHBondContact CB-OG 3.49Å; R377-S380 WeakPolarHBondContact O-CB 3.24Å; R377-S380 PolarHBondContact O-N 2.85Å; R377-S380 VanDerWaalsContact O-N 3.15Å; R377-S380 PolarHBondContact O-OG 2.82Å | ||
| 378 | F | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 129.6 | 175.5 | 179.5 | -95.7 | 0 | 0 | 0 | 111 | P334 R347 G348 Q349 V350 L369 G371 G376 V398 A400 F411 Y413 | P334-F378 WeakPolarHBondContact CA-O 3.08Å; R347-F378 WeakPolarHBondContact O-CB 3.42Å; G348-F378 CarbonylContact C-O 3.59Å; G348-F378 WeakPolarHBondContact CA-O 3.17Å; Q349-F378 PolarHBondContact N-O 2.89Å; V350-F378 HydrophobicContact CB-CE1 4.06Å; V350-F378 HydrophobicContact CG2-CD1 4.05Å; V350-F378 HydrophobicContact CG2-CE1 3.64Å; V350-F378 HydrophobicContact CG2-CZ 4.35Å; L369-F378 HydrophobicContact CB-CE1 4.03Å; L369-F378 HydrophobicContact CB-CZ 4.3Å; G371-F378 VanDerWaalsContact CA-CB 3.47Å; G371-F378 VanDerWaalsContact CA-CG 3.48Å; G376-F378 PolarHBondContact O-N 2.83Å; F378-V398 HydrophobicContact CD1-CG1 4.24Å; F378-V398 HydrophobicContact CD2-CG1 3.83Å; F378-V398 HydrophobicContact CE1-CG1 3.92Å; F378-V398 HydrophobicContact CE2-CB 3.79Å; F378-V398 HydrophobicContact CE2-CG1 3.46Å; F378-V398 VanDerWaalsContact CE2-CG1 3.46Å; F378-V398 HydrophobicContact CG-CG1 4.21Å; F378-V398 HydrophobicContact CZ-CB 3.89Å; F378-V398 HydrophobicContact CZ-CG1 3.51Å; F378-V398 HydrophobicContact CZ-CG2 4.15Å; F378-A400 HydrophobicContact CB-CB 4.2Å; F378-A400 HydrophobicContact CD2-CB 4.31Å; F378-F411 AromaticContact CD2-CD2 3.8Å; F378-F411 HydrophobicContact CD2-CD2 3.8Å; F378-F411 AromaticContact CD2-CE2 3.95Å; F378-F411 HydrophobicContact CD2-CE2 3.95Å; F378-F411 HydrophobicContact CD2-CG 4.36Å; F378-F411 HydrophobicContact CE2-CB 4.1Å; F378-F411 HydrophobicContact CE2-CD1 4.42Å; F378-F411 AromaticContact CE2-CD2 3.7Å; F378-F411 HydrophobicContact CE2-CD2 3.7Å; F378-F411 HydrophobicContact CE2-CE2 4.24Å; F378-F411 AromaticContact CE2-CG 3.82Å; F378-F411 HydrophobicContact CE2-CG 3.82Å; F378-Y413 HydrophobicContact CE2-CE2 4.14Å; F378-Y413 AromaticContact CZ-CE2 3.84Å; F378-Y413 HydrophobicContact CZ-CE2 3.84Å |
| 379 | G | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 10.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S315 R377 A381 G399 | S315-G379 PolarHBondContact OG-O 2.9Å; R377-G379 PolarHBondContact O-N 3.43Å; G379-A381 VanDerWaalsContact C-N 3.28Å; G379-A381 PolarHBondContact O-N 2.98Å; G379-G399 PolarHBondContact N-O 2.89Å |
| 380 | S | 98.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -63.9 | -36 | 173.2 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | H314 R377 G399 P401 | H314-S380 PolarHBondContact CE1-O 3.06Å; H314-S380 PolarHBondContact ND1-O 2.86Å; R377-S380 WeakPolarHBondContact CB-OG 3.49Å; R377-S380 WeakPolarHBondContact O-CB 3.24Å; R377-S380 PolarHBondContact O-N 2.85Å; R377-S380 VanDerWaalsContact O-N 3.15Å; R377-S380 PolarHBondContact O-OG 2.82Å; S380-G399 PolarHBondContact N-O 2.94Å; S380-P401 WeakPolarHBondContact OG-CD 3.22Å |
| 381 | A | 98.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G379 V398 G399 G440 F441 L443 | G379-A381 VanDerWaalsContact C-N 3.28Å; G379-A381 PolarHBondContact O-N 2.98Å; A381-V398 WeakPolarHBondContact O-CA 3.33Å; A381-G399 PolarHBondContact O-N 3.36Å; A381-G440 WeakPolarHBondContact CB-O 3.29Å; A381-F441 WeakPolarHBondContact CB-O 3.26Å; A381-L443 HydrophobicContact CB-CB 4.43Å; A381-L443 HydrophobicContact CB-CD1 3.86Å; A381-L443 HydrophobicContact CB-CG 3.91Å |
| 382 | L | 98.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132 | 173.7 | -63.9 | 174.8 | 0 | 0 | 0 | 108 | S315 A317 L330 V350 V398 | S315-L382 WeakPolarHBondContact OG-CG 3.41Å; A317-L382 HydrophobicContact CB-CB 3.82Å; A317-L382 HydrophobicContact CB-CD1 4.34Å; L330-L382 HydrophobicContact CB-CD1 4.03Å; V350-L382 HydrophobicContact CG1-CD1 4.5Å; V350-L382 HydrophobicContact CG1-CD2 3.93Å; V350-L382 HydrophobicContact CG2-CD2 3.84Å; L382-V398 HydrophobicContact CD2-CB 4.39Å; L382-V398 HydrophobicContact CD2-CG1 4.1Å; L382-V398 HydrophobicContact CD2-CG2 3.86Å |
| 383 | S | 96.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.7 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | I396 A397 S445 | S383-I396 WeakPolarHBondContact O-CA 3.46Å; S383-A397 PolarHBondContact N-O 3.39Å; S383-A397 PolarHBondContact O-N 3.33Å; S383-S445 PolarHBondContact OG-N 3.11Å |
| 384 | V | 95.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 24% | 0.242 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 124.2 | 168.1 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | A317 A319 I396 | A317-V384 HydrophobicContact CB-CG2 4.25Å; A319-V384 HydrophobicContact CB-CB 4.36Å; A319-V384 HydrophobicContact CB-CG1 3.68Å; A319-V384 HydrophobicContact CB-CG2 3.72Å; V384-I396 HydrophobicContact CB-CD1 4.34Å; V384-I396 HydrophobicContact CG1-CD1 4.4Å; V384-I396 HydrophobicContact CG2-CD1 4.03Å |
| 385 | L | 94.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -13.9 | -179.2 | -55.6 | -179.9 | 0 | 0 | 0 | 112.2 | L388 D395 A397 I412 S445 P455 L457 | L385-L388 HydrophobicContact CB-CB 4.4Å; L385-L388 HydrophobicContact CD1-CD2 4Å; L385-D395 HydrophobicContact CB-CB 4.19Å; L385-D395 WeakPolarHBondContact CB-O 3.47Å; L385-D395 HydrophobicContact CD1-CB 4.27Å; L385-D395 PolarHBondContact N-O 2.97Å; L385-A397 HydrophobicContact CD1-CB 3.99Å; L385-A397 HydrophobicContact CD2-CB 3.72Å; L385-A397 HydrophobicContact CG-CB 4.09Å; L385-I412 HydrophobicContact CD1-CD1 3.95Å; L385-I412 HydrophobicContact CD1-CG2 3.89Å; L385-S445 WeakPolarHBondContact CD2-OG 3.3Å; L385-P455 WeakPolarHBondContact O-CB 3.17Å; L385-P455 WeakPolarHBondContact O-CG 3.45Å; L385-L457 HydrophobicContact CD2-CD1 3.8Å |
| 386 | G | 92.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 26 Ų | 26 | 23% | 0.227 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.3 | -157.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L388 D395 | G386-L388 PolarHBondContact O-N 2.81Å; G386-D395 PolarHBondContact O-N 3.25Å |
| 387 | D | 93.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 26 Ų | 26 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -83.8 | 92.9 | 176.7 | -173.2 | -9.6 | 0 | 0 | 0 | 109.1 | D389 M390 D391 G392 Y393 | D387-D389 VanDerWaalsContact C-N 3.32Å; D387-D389 PolarHBondContact O-N 3.26Å; D387-M390 VanDerWaalsContact O-CE 3.32Å; D387-M390 WeakPolarHBondContact O-CE 3.18Å; D387-M390 WeakPolarHBondContact OD1-CA 3.5Å; D387-M390 PolarHBondContact OD1-N 2.8Å; D387-M390 VanDerWaalsContact OD2-C 3.3Å; D387-M390 VanDerWaalsContact OD2-CA 3.26Å; D387-M390 WeakPolarHBondContact OD2-CA 3.48Å; D387-D391 PolarHBondContact OD1-N 3.34Å; D387-D391 PolarHBondContact OD2-N 2.88Å; D387-G392 VanDerWaalsContact OD2-CA 3.27Å; D387-G392 WeakPolarHBondContact OD2-CA 3.45Å; D387-G392 PolarHBondContact OD2-N 2.87Å; D387-Y393 VanDerWaalsContact CA-O 3.3Å; D387-Y393 WeakPolarHBondContact CA-O 3.19Å; D387-Y393 VanDerWaalsContact CB-O 3.3Å; D387-Y393 WeakPolarHBondContact CB-O 3.15Å; D387-Y393 VanDerWaalsContact CG-O 3.27Å |
| 388 | L | 91.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -70 | -32 | -171.7 | -176.5 | 68.3 | 0 | 0 | 0 | 111 | N24 L25 L385 G386 D395 I412 Y454 P455 | N24-L388 PolarHBondContact ND2-O 3.24Å; N24-L388 WeakPolarHBondContact OD1-CD2 3.4Å; N24-L388 WeakPolarHBondContact OD1-CG 3.4Å; L25-L388 HydrophobicContact CD1-CD2 4.12Å; L25-L388 HydrophobicContact CD2-CD1 4.19Å; L25-L388 HydrophobicContact CG-CD1 4.39Å; L25-L388 HydrophobicContact CG-CD2 4.21Å; L385-L388 HydrophobicContact CB-CB 4.4Å; L385-L388 HydrophobicContact CD1-CD2 4Å; G386-L388 PolarHBondContact O-N 2.81Å; L388-D395 WeakPolarHBondContact CA-OD2 3.02Å; L388-D395 HydrophobicContact CB-CB 4.17Å; L388-D395 WeakPolarHBondContact CB-OD2 3.33Å; L388-D395 PolarHBondContact N-OD2 3.47Å; L388-I412 HydrophobicContact CD2-CG2 3.83Å; L388-Y454 WeakPolarHBondContact O-CD1 3.23Å; L388-P455 HydrophobicContact CD1-CG 4.08Å; L388-P455 WeakPolarHBondContact CD1-O 3.43Å |
| 389 | D | 89 | Confident | 94.9 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -109.8 | -0.5 | -177.8 | 86.2 | -31.1 | 0 | 0 | 0 | 114 | M23 D387 D391 V475 R477 | M23-D389 HydrophobicContact CE-CB 3.2Å; M23-D389 VanDerWaalsContact CE-OD2 3.24Å; M23-D389 WeakPolarHBondContact CE-OD2 3.27Å; M23-D389 HydrophobicContact SD-CB 3.99Å; D387-D389 VanDerWaalsContact C-N 3.32Å; D387-D389 PolarHBondContact O-N 3.26Å; D389-D391 VanDerWaalsContact OD1-CB 3.25Å; D389-D391 WeakPolarHBondContact OD1-CB 3.48Å; D389-D391 VanDerWaalsContact OD1-CG 3.27Å; D389-D391 PolarHBondContact OD1-N 2.91Å; D389-D391 VanDerWaalsContact OD1-N 3.16Å; D389-V475 HydrophobicContact CB-CG2 4.07Å; D389-R477 VanDerWaalsContact C-NH2 3.32Å; D389-R477 PolarHBondContact O-NH2 2.69Å; D389-R477 IonicContact OD1-NH2 3.54Å; D389-R477 PolarHBondContact OD1-NH2 3.34Å; D389-R477 IonicContact OD2-CZ 2.81Å; D389-R477 IonicContact OD2-NH2 2.95Å; D389-R477 PolarHBondContact OD2-NH2 2.84Å |
| 390 | M | 91.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 20.9 Ų | 20.9 | 28% | 0.281 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 65.8 | 37.3 | -179.4 | -59.8 | -80.7 | 154.8 | 0 | 0 | 112.7 | D387 G453 Y454 R477 H517 | D387-M390 VanDerWaalsContact O-CE 3.32Å; D387-M390 WeakPolarHBondContact O-CE 3.18Å; D387-M390 WeakPolarHBondContact OD1-CA 3.5Å; D387-M390 PolarHBondContact OD1-N 2.8Å; D387-M390 VanDerWaalsContact OD2-C 3.3Å; D387-M390 VanDerWaalsContact OD2-CA 3.26Å; D387-M390 WeakPolarHBondContact OD2-CA 3.48Å; M390-G453 WeakPolarHBondContact CE-O 3.49Å; M390-Y454 HydrophobicContact CB-CE1 3.96Å; M390-Y454 HydrophobicContact CE-CD1 4.48Å; M390-Y454 HydrophobicContact CG-CD1 3.64Å; M390-Y454 HydrophobicContact CG-CE1 3.4Å; M390-Y454 VanDerWaalsContact CG-CE1 3.4Å; M390-Y454 HydrophobicContact CG-CG 4.44Å; M390-R477 VanDerWaalsContact C-NH2 3.33Å; M390-R477 PolarHBondContact O-NH1 3.45Å; M390-R477 PolarHBondContact O-NH2 3.44Å; M390-H517 HydrophobicContact CB-CB 3.83Å; M390-H517 HydrophobicContact CG-CB 3.9Å |
| 391 | D | 88.9 | Confident | 94.8 | Very high | 60 Ų | 60 | 20.4 Ų | 20.4 | 32% | 0.321 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -88.2 | -10.9 | 177.6 | 82.1 | -10 | 0 | 0 | 0 | 114.9 | D387 D389 Y393 R477 | D387-D391 PolarHBondContact OD1-N 3.34Å; D387-D391 PolarHBondContact OD2-N 2.88Å; D389-D391 VanDerWaalsContact OD1-CB 3.25Å; D389-D391 WeakPolarHBondContact OD1-CB 3.48Å; D389-D391 VanDerWaalsContact OD1-CG 3.27Å; D389-D391 PolarHBondContact OD1-N 2.91Å; D389-D391 VanDerWaalsContact OD1-N 3.16Å; D391-Y393 WeakPolarHBondContact OD1-CD2 3.12Å; D391-Y393 PolarHBondContact OD1-N 3.27Å; D391-R477 VanDerWaalsContact CA-NH2 3.27Å |
| 392 | G | 91.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 22.5 Ų | 22.5 | 40% | 0.402 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 103.4 | -0.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | S323 D387 | S323-G392 WeakPolarHBondContact CB-O 3.34Å; S323-G392 PolarHBondContact OG-O 2.89Å; D387-G392 VanDerWaalsContact OD2-CA 3.27Å; D387-G392 WeakPolarHBondContact OD2-CA 3.45Å; D387-G392 PolarHBondContact OD2-N 2.87Å |
| 393 | Y | 94.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 21.5 Ų | 21.5 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -115.3 | 153.6 | 177.1 | -58.4 | -87.7 | 0 | 0 | 0 | 110.9 | N322 S323 D387 D391 G415 N416 | N322-Y393 VanDerWaalsContact O-CE1 3.29Å; N322-Y393 WeakPolarHBondContact O-CE1 3.36Å; S323-Y393 VanDerWaalsContact CB-CD1 3.5Å; D387-Y393 VanDerWaalsContact CA-O 3.3Å; D387-Y393 WeakPolarHBondContact CA-O 3.19Å; D387-Y393 VanDerWaalsContact CB-O 3.3Å; D387-Y393 WeakPolarHBondContact CB-O 3.15Å; D387-Y393 VanDerWaalsContact CG-O 3.27Å; D391-Y393 WeakPolarHBondContact OD1-CD2 3.12Å; D391-Y393 PolarHBondContact OD1-N 3.27Å; Y393-G415 VanDerWaalsContact CB-C 3.47Å; Y393-N416 VanDerWaalsContact CD1-C 3.45Å; Y393-N416 VanDerWaalsContact CE1-C 3.41Å |
| 394 | Q | 95.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 29% | 0.285 | 14% | 0.142 | S | C | . | . | trans | -86.8 | 139.5 | 174.8 | -60.3 | -176.5 | 30.8 | 0 | 0 | 111.2 | D320 G415 | D320-Q394 WeakPolarHBondContact O-CB 3.43Å; D320-Q394 VanDerWaalsContact O-CG 3.3Å; D320-Q394 WeakPolarHBondContact O-CG 3.4Å; Q394-G415 WeakPolarHBondContact O-CA 3.05Å; Q394-G415 PolarHBondContact O-N 3.37Å | ||
| 395 | D | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 158.8 | -176.6 | -53.5 | -45.2 | 0 | 0 | 0 | 111.7 | L385 G386 L388 L414 G415 | L385-D395 HydrophobicContact CB-CB 4.19Å; L385-D395 WeakPolarHBondContact CB-O 3.47Å; L385-D395 HydrophobicContact CD1-CB 4.27Å; L385-D395 PolarHBondContact N-O 2.97Å; G386-D395 PolarHBondContact O-N 3.25Å; L388-D395 WeakPolarHBondContact CA-OD2 3.02Å; L388-D395 HydrophobicContact CB-CB 4.17Å; L388-D395 WeakPolarHBondContact CB-OD2 3.33Å; L388-D395 PolarHBondContact N-OD2 3.47Å; D395-L414 HydrophobicContact CB-CD2 4.26Å; D395-L414 WeakPolarHBondContact OD1-CA 3.22Å; D395-G415 PolarHBondContact OD1-N 2.83Å |
| 396 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.9 | -174.3 | -56.1 | -64.6 | 0 | 0 | 0 | 110.7 | A319 V321 L330 S383 V384 V398 Y413 L420 | A319-I396 HydrophobicContact CB-CD1 4.08Å; V321-I396 HydrophobicContact CG1-CD1 4.06Å; V321-I396 HydrophobicContact CG1-CG1 3.96Å; L330-I396 HydrophobicContact CD1-CD1 4.15Å; L330-I396 HydrophobicContact CD1-CG1 4.49Å; L330-I396 HydrophobicContact CD2-CD1 4.42Å; L330-I396 HydrophobicContact CD2-CG1 4.01Å; L330-I396 HydrophobicContact CD2-CG2 4.07Å; S383-I396 WeakPolarHBondContact O-CA 3.46Å; V384-I396 HydrophobicContact CB-CD1 4.34Å; V384-I396 HydrophobicContact CG1-CD1 4.4Å; V384-I396 HydrophobicContact CG2-CD1 4.03Å; I396-V398 HydrophobicContact CG2-CG2 4.22Å; I396-Y413 PolarHBondContact N-O 3Å; I396-Y413 PolarHBondContact O-N 3.45Å; I396-L420 HydrophobicContact CB-CD2 4.37Å; I396-L420 HydrophobicContact CG1-CD1 4.29Å; I396-L420 HydrophobicContact CG1-CD2 3.88Å |
| 397 | A | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S383 L385 V410 F411 I412 L443 L457 | S383-A397 PolarHBondContact N-O 3.39Å; S383-A397 PolarHBondContact O-N 3.33Å; L385-A397 HydrophobicContact CD1-CB 3.99Å; L385-A397 HydrophobicContact CD2-CB 3.72Å; L385-A397 HydrophobicContact CG-CB 4.09Å; A397-V410 HydrophobicContact CB-CG1 4.02Å; A397-F411 CarbonylContact C-O 3.31Å; A397-F411 WeakPolarHBondContact CA-O 3.37Å; A397-I412 HydrophobicContact CB-CD1 3.81Å; A397-L443 HydrophobicContact CB-CD1 4.14Å; A397-L457 HydrophobicContact CB-CD1 4.43Å; A397-L457 HydrophobicContact CB-CD2 4.46Å |
| 398 | V | 98.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.5 | 177 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | V350 F378 A381 L382 I396 V410 F411 Y413 | V350-V398 HydrophobicContact CG2-CG1 3.71Å; V350-V398 HydrophobicContact CG2-CG2 4.37Å; F378-V398 HydrophobicContact CD1-CG1 4.24Å; F378-V398 HydrophobicContact CD2-CG1 3.83Å; F378-V398 HydrophobicContact CE1-CG1 3.92Å; F378-V398 HydrophobicContact CE2-CB 3.79Å; F378-V398 HydrophobicContact CE2-CG1 3.46Å; F378-V398 VanDerWaalsContact CE2-CG1 3.46Å; F378-V398 HydrophobicContact CG-CG1 4.21Å; F378-V398 HydrophobicContact CZ-CB 3.89Å; F378-V398 HydrophobicContact CZ-CG1 3.51Å; F378-V398 HydrophobicContact CZ-CG2 4.15Å; A381-V398 WeakPolarHBondContact O-CA 3.33Å; L382-V398 HydrophobicContact CD2-CB 4.39Å; L382-V398 HydrophobicContact CD2-CG1 4.1Å; L382-V398 HydrophobicContact CD2-CG2 3.86Å; I396-V398 HydrophobicContact CG2-CG2 4.22Å; V398-V410 WeakPolarHBondContact O-CA 3.42Å; V398-F411 PolarHBondContact N-O 3.08Å; V398-F411 PolarHBondContact O-N 3.24Å; V398-Y413 HydrophobicContact CB-CE2 4.45Å; V398-Y413 HydrophobicContact CG2-CD2 3.98Å; V398-Y413 HydrophobicContact CG2-CE2 4.09Å |
| 399 | G | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G379 S380 A381 G440 | G379-G399 PolarHBondContact N-O 2.89Å; S380-G399 PolarHBondContact N-O 2.94Å; A381-G399 PolarHBondContact O-N 3.36Å; G399-G440 WeakPolarHBondContact CA-O 3.33Å |
| 400 | A | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 83.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G376 F378 W402 S403 G408 Q409 F411 | G376-A400 CarbonylContact O-C 3.59Å; G376-A400 WeakPolarHBondContact O-CA 3.31Å; G376-A400 WeakPolarHBondContact O-CB 3.38Å; F378-A400 HydrophobicContact CB-CB 4.2Å; F378-A400 HydrophobicContact CD2-CB 4.31Å; A400-W402 PolarHBondContact O-N 3.33Å; A400-S403 PolarHBondContact O-N 3.48Å; A400-S403 PolarHBondContact O-OG 3.32Å; A400-S403 VanDerWaalsContact O-OG 3.1Å; A400-G408 WeakPolarHBondContact O-CA 3.29Å; A400-Q409 PolarHBondContact N-O 3.49Å; A400-Q409 PolarHBondContact O-N 2.79Å; A400-F411 HydrophobicContact CB-CD2 4.39Å; A400-F411 HydrophobicContact CB-CE2 3.72Å |
| 401 | P | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18 | -165.2 | -25.3 | 35.7 | 0 | 0 | 0 | 115.6 | S380 G408 F439 F441 | S380-P401 WeakPolarHBondContact OG-CD 3.22Å; P401-G408 VanDerWaalsContact O-CA 3.23Å; P401-G408 WeakPolarHBondContact O-CA 3.28Å; P401-F439 WeakPolarHBondContact CA-O 3.41Å; P401-F441 HydrophobicContact CB-CB 4.19Å; P401-F441 HydrophobicContact CG-CB 3.94Å; P401-F441 HydrophobicContact CG-CD2 4.15Å |
| 402 | W | 94.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 20.9 Ų | 20.9 | 20% | 0.201 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 12.6 | -173.9 | -50.7 | 130.7 | 0 | 0 | 0 | 113.5 | Y375 G376 A400 G406 S436 A438 W462 A463 | Y375-W402 WeakPolarHBondContact O-CB 3.17Å; G376-W402 PolarHBondContact O-N 2.82Å; A400-W402 PolarHBondContact O-N 3.33Å; W402-G406 WeakPolarHBondContact O-CA 3.48Å; W402-G406 PolarHBondContact O-N 2.98Å; W402-S436 WeakPolarHBondContact CZ3-OG 3.22Å; W402-A438 HydrophobicContact CH2-CB 3.34Å; W402-A438 HydrophobicContact CZ2-CB 3.92Å; W402-A438 VanDerWaalsContact CZ3-CA 3.45Å; W402-A438 HydrophobicContact CZ3-CB 3.77Å; W402-W462 HydrophobicContact CH2-CH2 4.5Å; W402-W462 HydrophobicContact CH2-CZ2 4.28Å; W402-W462 HydrophobicContact CZ2-CZ2 4.11Å; W402-A463 HydrophobicContact CH2-CB 4.31Å |
| 403 | S | 92.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 175.8 | 173.2 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | S373 A400 G405 G406 G407 G408 Q409 | S373-S403 WeakPolarHBondContact OG-CB 3.36Å; A400-S403 PolarHBondContact O-N 3.48Å; A400-S403 PolarHBondContact O-OG 3.32Å; A400-S403 VanDerWaalsContact O-OG 3.1Å; S403-G405 PolarHBondContact O-N 3.37Å; S403-G406 CarbonylContact O-C 3.49Å; S403-G406 PolarHBondContact O-N 3.08Å; S403-G406 VanDerWaalsContact O-N 3.08Å; S403-G407 PolarHBondContact O-N 3.38Å; S403-G407 VanDerWaalsContact O-N 3.17Å; S403-G408 PolarHBondContact O-N 2.98Å; S403-Q409 VanDerWaalsContact CB-OE1 3.25Å; S403-Q409 WeakPolarHBondContact OG-CB 3.27Å; S403-Q409 WeakPolarHBondContact OG-CG 3.36Å; S403-Q409 PolarHBondContact OG-N 2.91Å; S403-Q409 VanDerWaalsContact OG-N 3.17Å; S403-Q409 PolarHBondContact OG-OE1 2.89Å |
| 404 | D | 87.9 | Confident | 94.2 | Very high | 96 Ų | 96 | 17.7 Ų | 17.7 | 51% | 0.513 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | 51.7 | 52.8 | -179.5 | -163.2 | 31.8 | 0 | 0 | 0 | 114.1 | G406 G407 Q409 | D404-G406 PolarHBondContact O-N 2.81Å; D404-G407 PolarHBondContact O-N 3.16Å; D404-Q409 HydrophobicContact CB-CG 3.98Å |
| 405 | G | 82.7 | Confident | 94.2 | Very high | 73 Ų | 73 | 14.9 Ų | 14.9 | 75% | 0.753 | 10% | 0.097 | S | C | * | . | G | 310 helix | trans | 68.2 | 22.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S403 | S403-G405 PolarHBondContact O-N 3.37Š|
| 406 | G | 84.8 | Confident | 94 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | 90.8 | -0.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W402 S403 D404 G408 S435 S436 S437 | W402-G406 WeakPolarHBondContact O-CA 3.48Å; W402-G406 PolarHBondContact O-N 2.98Å; S403-G406 CarbonylContact O-C 3.49Å; S403-G406 PolarHBondContact O-N 3.08Å; S403-G406 VanDerWaalsContact O-N 3.08Å; D404-G406 PolarHBondContact O-N 2.81Å; G406-G408 VanDerWaalsContact C-N 3.31Å; G406-G408 PolarHBondContact O-N 2.97Å; G406-S435 VanDerWaalsContact C-C 3.49Å; G406-S435 CarbonylContact C-O 3.54Å; G406-S435 VanDerWaalsContact C-O 3.27Å; G406-S435 WeakPolarHBondContact CA-O 3.3Å; G406-S435 CarbonylContact O-C 3.56Å; G406-S435 VanDerWaalsContact O-C 3.31Å; G406-S436 VanDerWaalsContact O-CA 3.23Å; G406-S436 WeakPolarHBondContact O-CA 3.44Å; G406-S436 PolarHBondContact O-N 2.99Å; G406-S437 PolarHBondContact O-N 3.37Å |
| 407 | G | 89.6 | Confident | 93.7 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S403 D404 S430 S437 | S403-G407 PolarHBondContact O-N 3.38Å; S403-G407 VanDerWaalsContact O-N 3.17Å; D404-G407 PolarHBondContact O-N 3.16Å; G407-S430 WeakPolarHBondContact O-CB 3.31Å; G407-S430 PolarHBondContact O-OG 3.46Å; G407-S437 PolarHBondContact O-OG 3.23Å |
| 408 | G | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 90.8 | 145.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A400 P401 S403 G406 S430 | A400-G408 WeakPolarHBondContact O-CA 3.29Å; P401-G408 VanDerWaalsContact O-CA 3.23Å; P401-G408 WeakPolarHBondContact O-CA 3.28Å; S403-G408 PolarHBondContact O-N 2.98Å; G406-G408 VanDerWaalsContact C-N 3.31Å; G406-G408 PolarHBondContact O-N 2.97Å; G408-S430 WeakPolarHBondContact O-CB 3.39Å; G408-S430 PolarHBondContact O-N 3.28Å | ||
| 409 | Q | 95 | Very high | 92.9 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.8 | 179.6 | -60.6 | 170.9 | -64.8 | 0 | 0 | 112.1 | A400 S403 D404 F411 I427 I428 N429 | A400-Q409 PolarHBondContact N-O 3.49Å; A400-Q409 PolarHBondContact O-N 2.79Å; S403-Q409 VanDerWaalsContact CB-OE1 3.25Å; S403-Q409 WeakPolarHBondContact OG-CB 3.27Å; S403-Q409 WeakPolarHBondContact OG-CG 3.36Å; S403-Q409 PolarHBondContact OG-N 2.91Å; S403-Q409 VanDerWaalsContact OG-N 3.17Å; S403-Q409 PolarHBondContact OG-OE1 2.89Å; D404-Q409 HydrophobicContact CB-CG 3.98Å; Q409-F411 HydrophobicContact CB-CE2 3.88Å; Q409-F411 HydrophobicContact CB-CZ 4.25Å; Q409-I427 HydrophobicContact CB-CG2 4.17Å; Q409-I427 HydrophobicContact CG-CG2 4.4Å; Q409-I428 CarbonylContact C-O 3.52Å; Q409-I428 VanDerWaalsContact CA-O 3.29Å; Q409-I428 WeakPolarHBondContact CA-O 2.92Å; Q409-N429 PolarHBondContact NE2-OD1 3.49Å |
| 410 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.2 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | A397 V398 I412 I427 I428 F439 L443 L457 V459 | A397-V410 HydrophobicContact CB-CG1 4.02Å; V398-V410 WeakPolarHBondContact O-CA 3.42Å; V410-I412 HydrophobicContact CG1-CD1 4.29Å; V410-I427 WeakPolarHBondContact O-CA 3.41Å; V410-I428 HydrophobicContact CB-CB 4.3Å; V410-I428 PolarHBondContact N-O 2.68Å; V410-I428 PolarHBondContact O-N 3.31Å; V410-F439 HydrophobicContact CB-CE1 4.47Å; V410-F439 HydrophobicContact CG2-CD1 4.21Å; V410-F439 HydrophobicContact CG2-CE1 3.75Å; V410-F439 HydrophobicContact CG2-CZ 4.45Å; V410-L443 HydrophobicContact CG1-CD1 4.2Å; V410-L443 HydrophobicContact CG1-CD2 4.04Å; V410-L443 HydrophobicContact CG2-CD2 3.79Å; V410-L457 HydrophobicContact CG1-CD2 4.36Å; V410-V459 HydrophobicContact CG2-CG1 3.83Å; V410-V459 HydrophobicContact CG2-CG2 4.27Å |
| 411 | F | 96.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.7 | -176.4 | -61.1 | -103.2 | 0 | 0 | 0 | 109.6 | F378 A397 V398 A400 Q409 Y413 P424 I427 | F378-F411 AromaticContact CD2-CD2 3.8Å; F378-F411 HydrophobicContact CD2-CD2 3.8Å; F378-F411 AromaticContact CD2-CE2 3.95Å; F378-F411 HydrophobicContact CD2-CE2 3.95Å; F378-F411 HydrophobicContact CD2-CG 4.36Å; F378-F411 HydrophobicContact CE2-CB 4.1Å; F378-F411 HydrophobicContact CE2-CD1 4.42Å; F378-F411 AromaticContact CE2-CD2 3.7Å; F378-F411 HydrophobicContact CE2-CD2 3.7Å; F378-F411 HydrophobicContact CE2-CE2 4.24Å; F378-F411 AromaticContact CE2-CG 3.82Å; F378-F411 HydrophobicContact CE2-CG 3.82Å; A397-F411 CarbonylContact C-O 3.31Å; A397-F411 WeakPolarHBondContact CA-O 3.37Å; V398-F411 PolarHBondContact N-O 3.08Å; V398-F411 PolarHBondContact O-N 3.24Å; A400-F411 HydrophobicContact CB-CD2 4.39Å; A400-F411 HydrophobicContact CB-CE2 3.72Å; Q409-F411 HydrophobicContact CB-CE2 3.88Å; Q409-F411 HydrophobicContact CB-CZ 4.25Å; F411-Y413 HydrophobicContact CB-CD2 4.23Å; F411-Y413 HydrophobicContact CB-CE2 3.58Å; F411-P424 HydrophobicContact CB-CB 4.29Å; F411-P424 HydrophobicContact CD1-CB 4.26Å; F411-P424 HydrophobicContact CD1-CG 4.1Å; F411-I427 HydrophobicContact CD1-CD1 3.75Å; F411-I427 HydrophobicContact CD1-CG1 3.76Å; F411-I427 HydrophobicContact CD1-CG2 4.38Å; F411-I427 HydrophobicContact CE1-CD1 3.56Å; F411-I427 HydrophobicContact CE1-CG1 4.05Å; F411-I427 HydrophobicContact CE1-CG2 4.27Å |
| 412 | I | 96 | Very high | 92 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.1 | 177.8 | -50.2 | -57.7 | 0 | 0 | 0 | 108.9 | L25 L385 L388 A397 V410 L414 P424 S425 Q426 I428 L457 | L25-I412 HydrophobicContact CD1-CD1 3.93Å; L25-I412 HydrophobicContact CD1-CG1 4.13Å; L385-I412 HydrophobicContact CD1-CD1 3.95Å; L385-I412 HydrophobicContact CD1-CG2 3.89Å; L388-I412 HydrophobicContact CD2-CG2 3.83Å; A397-I412 HydrophobicContact CB-CD1 3.81Å; V410-I412 HydrophobicContact CG1-CD1 4.29Å; I412-L414 HydrophobicContact CG2-CD2 4.44Å; I412-P424 CarbonylContact O-C 3.5Å; I412-P424 WeakPolarHBondContact O-CA 3.48Å; I412-P424 WeakPolarHBondContact O-CB 3.41Å; I412-S425 PolarHBondContact O-N 3.35Å; I412-S425 PolarHBondContact O-OG 3.39Å; I412-Q426 HydrophobicContact CB-CB 4.15Å; I412-Q426 HydrophobicContact CG1-CB 4.09Å; I412-Q426 PolarHBondContact N-O 2.81Å; I412-I428 HydrophobicContact CD1-CD1 4.37Å; I412-L457 HydrophobicContact CD1-CD2 3.98Å |
| 413 | Y | 95.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.9 | 177.4 | -70.8 | -90.1 | 0 | 0 | 0 | 109.4 | L369 F378 I396 V398 F411 S421 P424 | L369-Y413 HydrophobicContact CD1-CD1 3.96Å; L369-Y413 HydrophobicContact CD1-CD2 4.28Å; L369-Y413 HydrophobicContact CD1-CE1 3.93Å; L369-Y413 HydrophobicContact CD1-CE2 4.25Å; L369-Y413 HydrophobicContact CD1-CG 4.13Å; L369-Y413 HydrophobicContact CD2-CD1 4.46Å; L369-Y413 HydrophobicContact CD2-CE1 4.07Å; F378-Y413 HydrophobicContact CE2-CE2 4.14Å; F378-Y413 AromaticContact CZ-CE2 3.84Å; F378-Y413 HydrophobicContact CZ-CE2 3.84Å; I396-Y413 PolarHBondContact N-O 3Å; I396-Y413 PolarHBondContact O-N 3.45Å; V398-Y413 HydrophobicContact CB-CE2 4.45Å; V398-Y413 HydrophobicContact CG2-CD2 3.98Å; V398-Y413 HydrophobicContact CG2-CE2 4.09Å; F411-Y413 HydrophobicContact CB-CD2 4.23Å; F411-Y413 HydrophobicContact CB-CE2 3.58Å; Y413-S421 VanDerWaalsContact CD1-O 3.32Å; Y413-S421 WeakPolarHBondContact CD1-O 3.45Å; Y413-P424 HydrophobicContact CE1-CB 4.14Å; Y413-P424 HydrophobicContact CE2-CB 4.31Å |
| 414 | L | 94.2 | Very high | 91.8 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | trans | -93.4 | 141.6 | -177.2 | -55.3 | 174.6 | 0 | 0 | 0 | 111.5 | M23 D395 I412 L420 S421 S425 | M23-L414 HydrophobicContact CE-CD1 3.18Å; M23-L414 HydrophobicContact CE-CD2 3.48Å; M23-L414 VanDerWaalsContact CE-CD2 3.48Å; M23-L414 HydrophobicContact CE-CG 3.92Å; M23-L414 HydrophobicContact SD-CD1 3.97Å; M23-L414 HydrophobicContact SD-CD2 3.47Å; M23-L414 WeakPolarHBondContact SD-CD2 3.47Å; M23-L414 HydrophobicContact SD-CG 4.26Å; D395-L414 HydrophobicContact CB-CD2 4.26Å; D395-L414 WeakPolarHBondContact OD1-CA 3.22Å; I412-L414 HydrophobicContact CG2-CD2 4.44Å; L414-L420 CarbonylContact O-C 3.56Å; L414-L420 WeakPolarHBondContact O-CA 3.49Å; L414-S421 PolarHBondContact N-OG 2.83Å; L414-S421 PolarHBondContact O-N 3.01Å; L414-S425 WeakPolarHBondContact CG-OG 3.35Å | ||
| 415 | G | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 155 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V321 Y393 Q394 D395 G419 | V321-G415 WeakPolarHBondContact O-CA 3.37Å; Y393-G415 VanDerWaalsContact CB-C 3.47Å; Q394-G415 WeakPolarHBondContact O-CA 3.05Å; Q394-G415 PolarHBondContact O-N 3.37Å; D395-G415 PolarHBondContact OD1-N 2.83Å; G415-G419 CarbonylContact C-O 3.5Å |
| 416 | N | 93.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 174.4 | 169.4 | 63.6 | 81.6 | 0 | 0 | 0 | 109.4 | V321 N322 Y393 N418 G419 L420 S421 | V321-N416 PolarHBondContact O-N 2.59Å; N322-N416 WeakPolarHBondContact CA-O 3.45Å; Y393-N416 VanDerWaalsContact CD1-C 3.45Å; Y393-N416 VanDerWaalsContact CE1-C 3.41Å; N416-N418 PolarHBondContact O-N 3.35Å; N416-N418 WeakPolarHBondContact OD1-CA 3.28Å; N416-N418 WeakPolarHBondContact OD1-CB 3.27Å; N416-N418 PolarHBondContact OD1-N 2.98Å; N416-G419 PolarHBondContact N-O 3.01Å; N416-G419 PolarHBondContact ND2-O 2.98Å; N416-G419 PolarHBondContact O-N 3.2Å; N416-G419 VanDerWaalsContact O-O 3.05Å; N416-L420 PolarHBondContact ND2-O 3.41Å; N416-S421 PolarHBondContact ND2-N 3.06Å |
| 417 | S | 90.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 27.3 Ų | 27.3 | 40% | 0.399 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -17.1 | -178.1 | 68.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 418 | N | 86.6 | Confident | 92.9 | Very high | 101 Ų | 101 | 27.4 Ų | 27.4 | 54% | 0.54 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.8 | -179.2 | -57.5 | -13.7 | 0 | 0 | 0 | 113.3 | Q367 N416 | Q367-N418 PolarHBondContact NE2-O 3.08Å; N416-N418 PolarHBondContact O-N 3.35Å; N416-N418 WeakPolarHBondContact OD1-CA 3.28Å; N416-N418 WeakPolarHBondContact OD1-CB 3.27Å; N416-N418 PolarHBondContact OD1-N 2.98Å |
| 419 | G | 92.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.5 | -133.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G415 N416 | G415-G419 CarbonylContact C-O 3.5Å; N416-G419 PolarHBondContact N-O 3.01Å; N416-G419 PolarHBondContact ND2-O 2.98Å; N416-G419 PolarHBondContact O-N 3.2Å; N416-G419 VanDerWaalsContact O-O 3.05Å |
| 420 | L | 95.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 160 | 178.7 | -65.5 | 173.3 | 0 | 0 | 0 | 112.7 | V321 L330 L352 Q367 L369 I396 L414 N416 | V321-L420 HydrophobicContact CB-CD2 4.11Å; V321-L420 HydrophobicContact CG1-CD2 4.06Å; V321-L420 HydrophobicContact CG2-CG 4.5Å; L330-L420 HydrophobicContact CD2-CD1 3.87Å; L352-L420 HydrophobicContact CD2-CD1 4.41Å; L352-L420 HydrophobicContact CD2-CG 4.13Å; Q367-L420 PolarHBondContact NE2-O 3.39Å; Q367-L420 VanDerWaalsContact NE2-O 3.08Å; Q367-L420 PolarHBondContact OE1-O 2.9Å; L369-L420 HydrophobicContact CD1-CD1 4.02Å; I396-L420 HydrophobicContact CB-CD2 4.37Å; I396-L420 HydrophobicContact CG1-CD1 4.29Å; I396-L420 HydrophobicContact CG1-CD2 3.88Å; L414-L420 CarbonylContact O-C 3.56Å; L414-L420 WeakPolarHBondContact O-CA 3.49Å; N416-L420 PolarHBondContact ND2-O 3.41Å |
| 421 | S | 91.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | trans | -64.3 | 138.2 | 169.2 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | Y413 L414 N416 T423 | Y413-S421 VanDerWaalsContact CD1-O 3.32Å; Y413-S421 WeakPolarHBondContact CD1-O 3.45Å; L414-S421 PolarHBondContact N-OG 2.83Å; L414-S421 PolarHBondContact O-N 3.01Å; N416-S421 PolarHBondContact ND2-N 3.06Å; S421-T423 PolarHBondContact O-N 3.36Å; S421-T423 PolarHBondContact OG-O 2.82Å | ||
| 422 | A | 85.8 | Confident | 91.8 | Very high | 92 Ų | 92 | 35.5 Ų | 35.5 | 76% | 0.76 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -67.4 | -24.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 423 | T | 90.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 60% | 0.601 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -118.8 | 145.7 | 176.7 | 55 | 0 | 0 | 0 | 0 | 109.9 | S421 | S421-T423 PolarHBondContact O-N 3.36Å; S421-T423 PolarHBondContact OG-O 2.82Å |
| 424 | P | 92.9 | Very high | 89.4 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | trans | -64.1 | 137.2 | 174.6 | 28.6 | -35.6 | 0 | 0 | 0 | 110.2 | F411 I412 Y413 I427 | F411-P424 HydrophobicContact CB-CB 4.29Å; F411-P424 HydrophobicContact CD1-CB 4.26Å; F411-P424 HydrophobicContact CD1-CG 4.1Å; I412-P424 CarbonylContact O-C 3.5Å; I412-P424 WeakPolarHBondContact O-CA 3.48Å; I412-P424 WeakPolarHBondContact O-CB 3.41Å; Y413-P424 HydrophobicContact CE1-CB 4.14Å; Y413-P424 HydrophobicContact CE2-CB 4.31Å; P424-I427 HydrophobicContact CB-CG1 4.25Å; P424-I427 HydrophobicContact CG-CD1 4.11Å; P424-I427 HydrophobicContact CG-CG1 4.02Å | ||
| 425 | S | 90.9 | Very high | 88.2 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -76.5 | -27.7 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | I412 L414 | I412-S425 PolarHBondContact O-N 3.35Å; I412-S425 PolarHBondContact O-OG 3.39Å; L414-S425 WeakPolarHBondContact CG-OG 3.35Å |
| 426 | Q | 91.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 143 | 177.1 | -178.1 | 170.1 | -2.1 | 0 | 0 | 109.8 | M23 L25 I412 I428 | M23-Q426 HydrophobicContact CB-CB 4.14Å; L25-Q426 PolarHBondContact O-NE2 3.4Å; I412-Q426 HydrophobicContact CB-CB 4.15Å; I412-Q426 HydrophobicContact CG1-CB 4.09Å; I412-Q426 PolarHBondContact N-O 2.81Å; Q426-I428 HydrophobicContact CG-CG1 4.38Å |
| 427 | I | 94 | Very high | 87.3 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128 | 168.8 | -56.9 | -178.2 | 0 | 0 | 0 | 107.9 | I20 Q409 V410 F411 P424 | I20-I427 HydrophobicContact CD1-CD1 3.46Å; I20-I427 VanDerWaalsContact CD1-CD1 3.46Å; I20-I427 HydrophobicContact CD1-CG1 4.13Å; I20-I427 HydrophobicContact CG2-CB 4.49Å; I20-I427 HydrophobicContact CG2-CG1 4.18Å; Q409-I427 HydrophobicContact CB-CG2 4.17Å; Q409-I427 HydrophobicContact CG-CG2 4.4Å; V410-I427 WeakPolarHBondContact O-CA 3.41Å; F411-I427 HydrophobicContact CD1-CD1 3.75Å; F411-I427 HydrophobicContact CD1-CG1 3.76Å; F411-I427 HydrophobicContact CD1-CG2 4.38Å; F411-I427 HydrophobicContact CE1-CD1 3.56Å; F411-I427 HydrophobicContact CE1-CG1 4.05Å; F411-I427 HydrophobicContact CE1-CG2 4.27Å; P424-I427 HydrophobicContact CB-CG1 4.25Å; P424-I427 HydrophobicContact CG-CD1 4.11Å; P424-I427 HydrophobicContact CG-CG1 4.02Å |
| 428 | I | 93.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114 | 176.8 | -55.3 | 173.5 | 0 | 0 | 0 | 107.3 | L25 Q409 V410 I412 Q426 F439 L457 Y470 | L25-I428 HydrophobicContact CB-CD1 4.46Å; L25-I428 HydrophobicContact CD1-CD1 3.81Å; Q409-I428 CarbonylContact C-O 3.52Å; Q409-I428 VanDerWaalsContact CA-O 3.29Å; Q409-I428 WeakPolarHBondContact CA-O 2.92Å; V410-I428 HydrophobicContact CB-CB 4.3Å; V410-I428 PolarHBondContact N-O 2.68Å; V410-I428 PolarHBondContact O-N 3.31Å; I412-I428 HydrophobicContact CD1-CD1 4.37Å; Q426-I428 HydrophobicContact CG-CG1 4.38Å; I428-F439 HydrophobicContact CG2-CE1 4.08Å; I428-F439 HydrophobicContact CG2-CZ 3.83Å; I428-L457 HydrophobicContact CD1-CD2 4.01Å; I428-Y470 HydrophobicContact CD1-CD1 4.28Å; I428-Y470 HydrophobicContact CD1-CG 4.35Å; I428-Y470 HydrophobicContact CG2-CD1 4.21Å; I428-Y470 HydrophobicContact CG2-CE1 3.47Å; I428-Y470 VanDerWaalsContact CG2-CE1 3.47Å; I428-Y470 HydrophobicContact CG2-CE2 4.05Å; I428-Y470 WeakPolarHBondContact CG2-OH 3.44Å |
| 429 | N | 92.4 | Very high | 88 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 149.3 | 173.4 | -57.4 | -37.4 | 0 | 0 | 0 | 109.8 | Q409 | Q409-N429 PolarHBondContact NE2-OD1 3.49Å |
| 430 | S | 91.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 12% | 0.119 | 27% | 0.269 | C | S | . | . | trans | -55.1 | 129.7 | 171 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | G407 G408 L432 S437 | G407-S430 WeakPolarHBondContact O-CB 3.31Å; G407-S430 PolarHBondContact O-OG 3.46Å; G408-S430 WeakPolarHBondContact O-CB 3.39Å; G408-S430 PolarHBondContact O-N 3.28Å; S430-L432 PolarHBondContact O-N 3.01Å; S430-L432 PolarHBondContact OG-N 3.34Å; S430-S437 PolarHBondContact OG-OG 3.48Å | ||
| 431 | P | 89.3 | Confident | 88.3 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.6 | -1.5 | 175.1 | 31.6 | -34.8 | 0 | 0 | 0 | 112.2 | F468 | P431-F468 HydrophobicContact CG-CD1 3.74Å; P431-F468 HydrophobicContact CG-CE1 3.31Å; P431-F468 HydrophobicContact CG-CE2 4.22Å; P431-F468 HydrophobicContact CG-CG 4.35Å; P431-F468 HydrophobicContact CG-CZ 3.6Å |
| 432 | L | 85.9 | Confident | 88.5 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | trans | -94.1 | 141 | -176.4 | -57.6 | 172.3 | 0 | 0 | 0 | 111.2 | S430 S434 A461 A464 F468 | S430-L432 PolarHBondContact O-N 3.01Å; S430-L432 PolarHBondContact OG-N 3.34Å; L432-S434 VanDerWaalsContact C-N 3.27Å; L432-S434 PolarHBondContact O-N 2.99Å; L432-A461 HydrophobicContact CD1-CB 4.41Å; L432-A464 HydrophobicContact CD1-CB 3.58Å; L432-F468 HydrophobicContact CD1-CE2 4.16Å; L432-F468 HydrophobicContact CD1-CZ 3.95Å; L432-F468 HydrophobicContact CD2-CZ 4.06Å; L432-F468 HydrophobicContact CG-CZ 3.91Å | ||
| 433 | F | 72.7 | Confident | 89.1 | Confident | 218 Ų | 218 | 42.7 Ų | 42.7 | 96% | 0.956 | 24% | 0.244 | S | C | * | . | trans | -83.9 | 0.4 | 176.6 | -57.3 | -78.6 | 0 | 0 | 0 | 113.3 | ||||
| 434 | S | 69.2 | Low | 89.4 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | -81 | 139.1 | 179.5 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | L432 S436 | L432-S434 VanDerWaalsContact C-N 3.27Å; L432-S434 PolarHBondContact O-N 2.99Å; S434-S436 PolarHBondContact O-N 3.23Å; S434-S436 VanDerWaalsContact O-N 3.14Å | ||
| 435 | S | 67.2 | Low | 89.3 | Confident | 94 Ų | 94 | 40.5 Ų | 40.5 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -77.9 | 11.5 | -177.6 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | G406 | G406-S435 VanDerWaalsContact C-C 3.49Å; G406-S435 CarbonylContact C-O 3.54Å; G406-S435 VanDerWaalsContact C-O 3.27Å; G406-S435 WeakPolarHBondContact CA-O 3.3Å; G406-S435 CarbonylContact O-C 3.56Å; G406-S435 VanDerWaalsContact O-C 3.31Å |
| 436 | S | 80.4 | Confident | 88.6 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | trans | -162.8 | 72.1 | -179.6 | -163.8 | 0 | 0 | 0 | 0 | 110.6 | W402 G406 S434 A463 | W402-S436 WeakPolarHBondContact CZ3-OG 3.22Å; G406-S436 VanDerWaalsContact O-CA 3.23Å; G406-S436 WeakPolarHBondContact O-CA 3.44Å; G406-S436 PolarHBondContact O-N 2.99Å; S434-S436 PolarHBondContact O-N 3.23Å; S434-S436 VanDerWaalsContact O-N 3.14Å; S436-A463 WeakPolarHBondContact O-CB 3.44Å | ||
| 437 | S | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -96.3 | -13.5 | -177.2 | 77.5 | 0 | 0 | 0 | 0 | 114.2 | G406 G407 S430 F439 A461 A463 | G406-S437 PolarHBondContact O-N 3.37Å; G407-S437 PolarHBondContact O-OG 3.23Å; S430-S437 PolarHBondContact OG-OG 3.48Å; S437-F439 PolarHBondContact O-N 3.45Å; S437-F439 WeakPolarHBondContact OG-CB 3.38Å; S437-F439 PolarHBondContact OG-N 3.41Å; S437-A461 CarbonylContact O-C 3.49Å; S437-A461 VanDerWaalsContact O-CA 3.27Å; S437-A461 WeakPolarHBondContact O-CA 3.18Å; S437-A461 WeakPolarHBondContact O-CB 3.41Å; S437-A463 PolarHBondContact O-N 3.1Å | ||
| 438 | A | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | 57.7 | 25.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W402 G440 F441 W462 A463 | W402-A438 HydrophobicContact CH2-CB 3.34Å; W402-A438 HydrophobicContact CZ2-CB 3.92Å; W402-A438 VanDerWaalsContact CZ3-CA 3.45Å; W402-A438 HydrophobicContact CZ3-CB 3.77Å; A438-G440 PolarHBondContact O-N 3.42Å; A438-F441 HydrophobicContact CB-CB 4.26Å; A438-F441 VanDerWaalsContact O-CB 3.22Å; A438-F441 WeakPolarHBondContact O-CB 3.24Å; A438-F441 PolarHBondContact O-N 3.47Å; A438-W462 HydrophobicContact CB-CD2 3.96Å; A438-W462 HydrophobicContact CB-CG 4.13Å; A438-W462 HydrophobicContact CB-CZ2 3.96Å; A438-A463 HydrophobicContact CB-CB 3.87Å | ||
| 439 | F | 97 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 119.9 | -178.7 | 177.1 | -91.3 | 0 | 0 | 0 | 111.1 | P401 V410 I428 S437 V459 G460 A461 F468 Y470 | P401-F439 WeakPolarHBondContact CA-O 3.41Å; V410-F439 HydrophobicContact CB-CE1 4.47Å; V410-F439 HydrophobicContact CG2-CD1 4.21Å; V410-F439 HydrophobicContact CG2-CE1 3.75Å; V410-F439 HydrophobicContact CG2-CZ 4.45Å; I428-F439 HydrophobicContact CG2-CE1 4.08Å; I428-F439 HydrophobicContact CG2-CZ 3.83Å; S437-F439 PolarHBondContact O-N 3.45Å; S437-F439 WeakPolarHBondContact OG-CB 3.38Å; S437-F439 PolarHBondContact OG-N 3.41Å; F439-V459 HydrophobicContact CD1-CG1 4.2Å; F439-V459 HydrophobicContact CD2-CG1 3.8Å; F439-V459 HydrophobicContact CE1-CG1 3.95Å; F439-V459 HydrophobicContact CE2-CB 3.98Å; F439-V459 HydrophobicContact CE2-CG1 3.52Å; F439-V459 HydrophobicContact CG-CG1 4.12Å; F439-V459 HydrophobicContact CZ-CB 4.11Å; F439-V459 HydrophobicContact CZ-CG1 3.6Å; F439-V459 HydrophobicContact CZ-CG2 4.33Å; F439-G460 WeakPolarHBondContact CA-O 3.28Å; F439-A461 HydrophobicContact CB-CB 4.11Å; F439-A461 HydrophobicContact CD2-CB 4.24Å; F439-F468 AromaticContact CD2-CD2 3.71Å; F439-F468 HydrophobicContact CD2-CD2 3.71Å; F439-F468 AromaticContact CD2-CE2 3.89Å; F439-F468 HydrophobicContact CD2-CE2 3.89Å; F439-F468 HydrophobicContact CE2-CB 4.35Å; F439-F468 AromaticContact CE2-CD2 3.56Å; F439-F468 HydrophobicContact CE2-CD2 3.56Å; F439-F468 HydrophobicContact CE2-CE2 4.12Å; F439-F468 HydrophobicContact CE2-CG 4.08Å; F439-Y470 HydrophobicContact CE2-CE2 4.12Å; F439-Y470 AromaticContact CZ-CE2 3.86Å; F439-Y470 HydrophobicContact CZ-CE2 3.86Å; F439-Y470 AromaticContact CZ-CZ 3.94Å; F439-Y470 WeakPolarHBondContact CZ-OH 3.44Å |
| 440 | G | 96.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | 8.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A381 G399 A438 S442 G460 | A381-G440 WeakPolarHBondContact CB-O 3.29Å; G399-G440 WeakPolarHBondContact CA-O 3.33Å; A438-G440 PolarHBondContact O-N 3.42Å; G440-S442 VanDerWaalsContact C-N 3.34Å; G440-G460 PolarHBondContact N-O 2.86Å |
| 441 | F | 97.2 | Very high | 87.1 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -70.4 | -31.9 | 174.3 | -176.3 | -91 | 0 | 0 | 0 | 113 | F42 A381 P401 A438 W462 | F42-F441 HydrophobicContact CD2-CE1 4.16Å; F42-F441 AromaticContact CE2-CE1 3.75Å; F42-F441 HydrophobicContact CE2-CE1 3.75Å; F42-F441 HydrophobicContact CE2-CZ 4.21Å; F42-F441 HydrophobicContact CZ-CE1 4.02Å; F42-F441 HydrophobicContact CZ-CZ 4.44Å; A381-F441 WeakPolarHBondContact CB-O 3.26Å; P401-F441 HydrophobicContact CB-CB 4.19Å; P401-F441 HydrophobicContact CG-CB 3.94Å; P401-F441 HydrophobicContact CG-CD2 4.15Å; A438-F441 HydrophobicContact CB-CB 4.26Å; A438-F441 VanDerWaalsContact O-CB 3.22Å; A438-F441 WeakPolarHBondContact O-CB 3.24Å; A438-F441 PolarHBondContact O-N 3.47Å; F441-W462 AromaticContact CD1-CD1 3.35Å; F441-W462 AromaticContact CD1-NE1 3.17Å; F441-W462 AromaticContact CD2-NE1 3.5Å; F441-W462 AromaticContact CE1-NE1 3.7Å; F441-W462 AromaticContact CE2-NE1 3.99Å; F441-W462 AromaticContact CG-CD1 3.53Å; F441-W462 AromaticContact CG-NE1 3.05Å |
| 442 | S | 98 | Very high | 86.9 | Confident | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.4 | 172.3 | 65.5 | 0 | 0 | 0 | 0 | 108.8 | G41 F42 G440 G460 | G41-S442 PolarHBondContact O-OG 2.84Å; F42-S442 WeakPolarHBondContact O-CB 3.13Å; G440-S442 VanDerWaalsContact C-N 3.34Å; S442-G460 PolarHBondContact O-N 2.86Å; S442-G460 WeakPolarHBondContact OG-CA 3.17Å |
| 443 | L | 97.9 | Very high | 87 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.8 | -177.1 | -63.8 | 175.7 | 0 | 0 | 0 | 109.4 | A381 A397 V410 L458 V459 | A381-L443 HydrophobicContact CB-CB 4.43Å; A381-L443 HydrophobicContact CB-CD1 3.86Å; A381-L443 HydrophobicContact CB-CG 3.91Å; A397-L443 HydrophobicContact CB-CD1 4.14Å; V410-L443 HydrophobicContact CG1-CD1 4.2Å; V410-L443 HydrophobicContact CG1-CD2 4.04Å; V410-L443 HydrophobicContact CG2-CD2 3.79Å; L443-L458 WeakPolarHBondContact CA-O 3.47Å; L443-V459 HydrophobicContact CD2-CB 4.2Å; L443-V459 HydrophobicContact CD2-CG1 3.91Å; L443-V459 HydrophobicContact CD2-CG2 3.83Å |
| 444 | R | 95.6 | Very high | 87.8 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 23% | 0.226 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 140.7 | 170.4 | -164.9 | 70.2 | 160.8 | 171.3 | -3.8 | 111.2 | I44 D45 F46 L458 | I44-R444 HydrophobicContact CD1-CB 4.31Å; I44-R444 HydrophobicContact CG1-CB 4.32Å; D45-R444 WeakPolarHBondContact OD1-CG 3.34Å; D45-R444 IonicContact OD1-CZ 2.73Å; D45-R444 IonicContact OD1-NE 3.93Å; D45-R444 PolarHBondContact OD1-NE 3.38Å; D45-R444 IonicContact OD1-NH2 3.84Å; D45-R444 PolarHBondContact OD1-NH2 2.84Å; D45-R444 IonicContact OD2-CZ 2.71Å; D45-R444 IonicContact OD2-NE 3.01Å; D45-R444 IonicContact OD2-NH2 2.76Å; D45-R444 PolarHBondContact OD2-NH2 2.86Å; F46-R444 HydrophobicContact CD2-CG 3.98Å; F46-R444 HydrophobicContact CE2-CB 4.38Å; F46-R444 HydrophobicContact CE2-CG 4.21Å; F46-R444 WeakPolarHBondContact CE2-O 3.36Å; R444-L458 HydrophobicContact CB-CB 4.47Å; R444-L458 PolarHBondContact N-O 2.79Å; R444-L458 VanDerWaalsContact N-O 3.1Å; R444-L458 PolarHBondContact O-N 3.17Å |
| 445 | S | 91 | Very high | 88.9 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | -166.2 | 175.3 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | S383 L385 D456 | S383-S445 PolarHBondContact OG-N 3.11Å; L385-S445 WeakPolarHBondContact CD2-OG 3.3Å; S445-D456 WeakPolarHBondContact CA-O 3.4Å; S445-D456 WeakPolarHBondContact CB-O 3.29Å; S445-D456 PolarHBondContact OG-O 2.82Å |
| 446 | G | 76.7 | Confident | 90.1 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 54% | 0.536 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.9 | 9.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 447 | V | 85.8 | Confident | 90.9 | Very high | 37 Ų | 37 | 21.7 Ų | 21.7 | 22% | 0.224 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.5 | 176.3 | -177 | 0 | 0 | 0 | 0 | 109.8 | F46 F53 L449 D456 | F46-V447 HydrophobicContact CB-CB 4.19Å; F46-V447 HydrophobicContact CB-CG2 3.72Å; F46-V447 HydrophobicContact CD1-CB 4.28Å; F46-V447 HydrophobicContact CD2-CB 4.06Å; F46-V447 HydrophobicContact CD2-CG2 3.92Å; F46-V447 HydrophobicContact CE2-CB 4.48Å; F46-V447 HydrophobicContact CG-CB 3.93Å; F46-V447 HydrophobicContact CG-CG2 3.88Å; F53-V447 HydrophobicContact CD1-CG1 3.88Å; F53-V447 HydrophobicContact CE1-CG1 3.78Å; V447-L449 HydrophobicContact CG1-CD2 4.05Å; V447-L449 HydrophobicContact CG1-CG 4.49Å; V447-D456 PolarHBondContact O-N 3.34Å |
| 448 | D | 89.4 | Confident | 91.2 | Very high | 39 Ų | 39 | 21.7 Ų | 21.7 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | trans | -89.3 | 105.6 | 169.4 | 170.1 | 10.6 | 0 | 0 | 0 | 108.3 | D450 G451 N452 G453 Y454 | D448-D450 PolarHBondContact OD1-N 3.02Å; D448-G451 VanDerWaalsContact OD1-CA 3.3Å; D448-G451 WeakPolarHBondContact OD1-CA 3.35Å; D448-G451 PolarHBondContact OD1-N 3.26Å; D448-G451 WeakPolarHBondContact OD2-CA 3.3Å; D448-N452 PolarHBondContact OD1-N 3.49Å; D448-N452 VanDerWaalsContact OD1-N 3.12Å; D448-N452 PolarHBondContact OD2-N 3.37Å; D448-G453 VanDerWaalsContact OD2-CA 3.24Å; D448-G453 WeakPolarHBondContact OD2-CA 3.47Å; D448-G453 PolarHBondContact OD2-N 3.38Å; D448-Y454 WeakPolarHBondContact CA-O 3.49Å; D448-Y454 VanDerWaalsContact CB-O 3.26Å; D448-Y454 WeakPolarHBondContact CB-O 3.4Å | ||
| 449 | L | 85.8 | Confident | 91.3 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -82.4 | -30.2 | -174.7 | -72.8 | 178.3 | 0 | 0 | 0 | 113.4 | F46 F53 W80 V447 D456 L469 | F46-L449 HydrophobicContact CD1-CD1 4.06Å; F46-L449 HydrophobicContact CD1-CD2 4.03Å; F46-L449 HydrophobicContact CD1-CG 4.19Å; F46-L449 HydrophobicContact CE1-CD1 3.62Å; F46-L449 HydrophobicContact CE1-CD2 4.33Å; F46-L449 HydrophobicContact CE1-CG 3.99Å; F53-L449 HydrophobicContact CB-CD2 3.36Å; F53-L449 HydrophobicContact CD1-CD2 4.11Å; F53-L449 HydrophobicContact CG-CD2 3.83Å; W80-L449 HydrophobicContact CB-CD1 4.39Å; V447-L449 HydrophobicContact CG1-CD2 4.05Å; V447-L449 HydrophobicContact CG1-CG 4.49Å; L449-D456 WeakPolarHBondContact CB-OD2 3.33Å; L449-D456 PolarHBondContact N-OD2 3.13Å; L449-L469 HydrophobicContact CD1-CD1 3.71Å; L449-L469 HydrophobicContact CD1-CD2 3.43Å; L449-L469 VanDerWaalsContact CD1-CD2 3.43Å; L449-L469 HydrophobicContact CD1-CG 4.2Å |
| 450 | D | 83.4 | Confident | 91.4 | Very high | 55 Ų | 55 | 21.7 Ų | 21.7 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -102.2 | 1.8 | -176 | 70 | 11.9 | 0 | 0 | 0 | 114 | W80 D448 N452 R471 | W80-D450 HydrophobicContact CH2-CB 4.17Å; W80-D450 HydrophobicContact CZ3-CB 4.39Å; D448-D450 PolarHBondContact OD1-N 3.02Å; D450-N452 VanDerWaalsContact C-N 3.26Å; D450-N452 PolarHBondContact O-N 3.04Å; D450-N452 WeakPolarHBondContact OD1-CB 3.25Å; D450-N452 PolarHBondContact OD1-N 3.11Å; D450-N452 PolarHBondContact OD1-ND2 2.74Å; D450-R471 IonicContact OD2-NH1 4Å; D450-R471 PolarHBondContact OD2-NH1 2.75Å; D450-R471 VanDerWaalsContact OD2-NH1 3.07Å |
| 451 | G | 85.9 | Confident | 91.4 | Very high | 43 Ų | 43 | 21.7 Ų | 21.7 | 44% | 0.443 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 75 | 15.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D448 G453 R518 | D448-G451 VanDerWaalsContact OD1-CA 3.3Å; D448-G451 WeakPolarHBondContact OD1-CA 3.35Å; D448-G451 PolarHBondContact OD1-N 3.26Å; D448-G451 WeakPolarHBondContact OD2-CA 3.3Å; G451-G453 PolarHBondContact O-N 2.74Å; G451-R518 PolarHBondContact O-NH1 3.19Å; G451-R518 VanDerWaalsContact O-NH1 3.11Å |
| 452 | N | 85 | Confident | 91.3 | Very high | 40 Ų | 40 | 21.6 Ų | 21.6 | 21% | 0.214 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -74.6 | -8.3 | -176.7 | 73.8 | 19.8 | 0 | 0 | 0 | 113.1 | D448 D450 Y454 S472 R518 | D448-N452 PolarHBondContact OD1-N 3.49Å; D448-N452 VanDerWaalsContact OD1-N 3.12Å; D448-N452 PolarHBondContact OD2-N 3.37Å; D450-N452 VanDerWaalsContact C-N 3.26Å; D450-N452 PolarHBondContact O-N 3.04Å; D450-N452 WeakPolarHBondContact OD1-CB 3.25Å; D450-N452 PolarHBondContact OD1-N 3.11Å; D450-N452 PolarHBondContact OD1-ND2 2.74Å; N452-Y454 WeakPolarHBondContact OD1-CA 3.47Å; N452-Y454 WeakPolarHBondContact OD1-CB 3.24Å; N452-Y454 PolarHBondContact OD1-N 3.06Å; N452-Y454 PolarHBondContact OD1-O 3.39Å; N452-S472 PolarHBondContact ND2-O 3.01Å; N452-R518 WeakPolarHBondContact O-CD 3.45Å |
| 453 | G | 87.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 91.9 | 9.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | M390 D448 G451 | M390-G453 WeakPolarHBondContact CE-O 3.49Å; D448-G453 VanDerWaalsContact OD2-CA 3.24Å; D448-G453 WeakPolarHBondContact OD2-CA 3.47Å; D448-G453 PolarHBondContact OD2-N 3.38Å; G451-G453 PolarHBondContact O-N 2.74Å |
| 454 | Y | 91 | Very high | 91 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -128.2 | 141.6 | -178 | -64.2 | -99.8 | 0 | 0 | 0 | 110.3 | L388 M390 D448 N452 S472 A474 V475 H517 | L388-Y454 WeakPolarHBondContact O-CD1 3.23Å; M390-Y454 HydrophobicContact CB-CE1 3.96Å; M390-Y454 HydrophobicContact CE-CD1 4.48Å; M390-Y454 HydrophobicContact CG-CD1 3.64Å; M390-Y454 HydrophobicContact CG-CE1 3.4Å; M390-Y454 VanDerWaalsContact CG-CE1 3.4Å; M390-Y454 HydrophobicContact CG-CG 4.44Å; D448-Y454 WeakPolarHBondContact CA-O 3.49Å; D448-Y454 VanDerWaalsContact CB-O 3.26Å; D448-Y454 WeakPolarHBondContact CB-O 3.4Å; N452-Y454 WeakPolarHBondContact OD1-CA 3.47Å; N452-Y454 WeakPolarHBondContact OD1-CB 3.24Å; N452-Y454 PolarHBondContact OD1-N 3.06Å; N452-Y454 PolarHBondContact OD1-O 3.39Å; Y454-S472 WeakPolarHBondContact CB-OG 3.4Å; Y454-S472 PolarHBondContact O-OG 2.81Å; Y454-A474 HydrophobicContact CD2-CB 4.47Å; Y454-A474 HydrophobicContact CE2-CB 3.76Å; Y454-V475 HydrophobicContact CE1-CB 4.33Å; Y454-V475 HydrophobicContact CE1-CG2 4.17Å; Y454-V475 PolarHBondContact OH-N 3.43Å; Y454-V475 VanDerWaalsContact OH-N 3.13Å; Y454-H517 WeakPolarHBondContact CE2-O 3.22Å; Y454-H517 PolarHBondContact OH-N 3.1Å; Y454-H517 PolarHBondContact OH-O 3.3Å |
| 455 | P | 92.4 | Very high | 91 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | trans | -73.4 | 146.2 | -177.8 | 29 | -32.3 | 0 | 0 | 0 | 111.9 | L385 L388 S472 | L385-P455 WeakPolarHBondContact O-CB 3.17Å; L385-P455 WeakPolarHBondContact O-CG 3.45Å; L388-P455 HydrophobicContact CD1-CG 4.08Å; L388-P455 WeakPolarHBondContact CD1-O 3.43Å; P455-S472 VanDerWaalsContact O-CB 3.31Å; P455-S472 WeakPolarHBondContact O-CB 3.25Å; P455-S472 PolarHBondContact O-OG 3.04Å; P455-S472 VanDerWaalsContact O-OG 3.05Å | ||
| 456 | D | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 164.6 | 177.3 | -61 | -40.9 | 0 | 0 | 0 | 111.6 | S445 V447 L449 L469 R471 S472 | S445-D456 WeakPolarHBondContact CA-O 3.4Å; S445-D456 WeakPolarHBondContact CB-O 3.29Å; S445-D456 PolarHBondContact OG-O 2.82Å; V447-D456 PolarHBondContact O-N 3.34Å; L449-D456 WeakPolarHBondContact CB-OD2 3.33Å; L449-D456 PolarHBondContact N-OD2 3.13Å; D456-L469 HydrophobicContact CB-CD1 4.02Å; D456-R471 WeakPolarHBondContact OD1-CA 3.36Å; D456-S472 PolarHBondContact OD1-N 3.45Å; D456-S472 PolarHBondContact OD1-OG 2.82Å |
| 457 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.9 | -176.9 | 175.5 | 63.2 | 0 | 0 | 0 | 111.5 | L25 L385 A397 V410 I412 I428 V459 Y470 | L25-L457 HydrophobicContact CD1-CB 4.26Å; L25-L457 HydrophobicContact CD1-CD2 3.84Å; L25-L457 HydrophobicContact CD2-CB 4.2Å; L385-L457 HydrophobicContact CD2-CD1 3.8Å; A397-L457 HydrophobicContact CB-CD1 4.43Å; A397-L457 HydrophobicContact CB-CD2 4.46Å; V410-L457 HydrophobicContact CG1-CD2 4.36Å; I412-L457 HydrophobicContact CD1-CD2 3.98Å; I428-L457 HydrophobicContact CD1-CD2 4.01Å; L457-V459 HydrophobicContact CD2-CG2 4.12Å; L457-V459 HydrophobicContact CG-CG2 3.96Å; L457-Y470 PolarHBondContact N-O 3.13Å; L457-Y470 PolarHBondContact O-N 2.89Å |
| 458 | L | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.5 | 167.2 | -72.8 | 167.9 | 0 | 0 | 0 | 110.9 | F32 I44 F46 V55 L443 R444 F468 L469 | F32-L458 HydrophobicContact CE2-CD2 4.48Å; I44-L458 HydrophobicContact CD1-CB 3.58Å; I44-L458 WeakPolarHBondContact CD1-O 3.37Å; F46-L458 HydrophobicContact CD1-CD1 3.6Å; F46-L458 HydrophobicContact CD1-CG 4.29Å; F46-L458 HydrophobicContact CD2-CD1 3.96Å; F46-L458 HydrophobicContact CE1-CD1 3.35Å; F46-L458 HydrophobicContact CE1-CD2 4.32Å; F46-L458 HydrophobicContact CE1-CG 3.52Å; F46-L458 HydrophobicContact CE2-CB 4.46Å; F46-L458 HydrophobicContact CE2-CD1 3.71Å; F46-L458 HydrophobicContact CE2-CG 3.98Å; F46-L458 HydrophobicContact CG-CD1 3.92Å; F46-L458 HydrophobicContact CZ-CB 4.17Å; F46-L458 HydrophobicContact CZ-CD1 3.44Å; F46-L458 VanDerWaalsContact CZ-CD1 3.44Å; F46-L458 HydrophobicContact CZ-CG 3.37Å; V55-L458 HydrophobicContact CB-CD1 4.49Å; V55-L458 HydrophobicContact CB-CD2 4.47Å; V55-L458 HydrophobicContact CG1-CD1 3.7Å; V55-L458 HydrophobicContact CG1-CD2 3.65Å; V55-L458 HydrophobicContact CG1-CG 4.35Å; V55-L458 HydrophobicContact CG2-CD1 4.25Å; V55-L458 HydrophobicContact CG2-CD2 3.94Å; L443-L458 WeakPolarHBondContact CA-O 3.47Å; R444-L458 HydrophobicContact CB-CB 4.47Å; R444-L458 PolarHBondContact N-O 2.79Å; R444-L458 VanDerWaalsContact N-O 3.1Å; R444-L458 PolarHBondContact O-N 3.17Å; L458-F468 CarbonylContact C-O 3.44Å; L458-F468 WeakPolarHBondContact CA-O 3.32Å; L458-L469 HydrophobicContact CD2-CB 3.73Å; L458-L469 HydrophobicContact CD2-CD1 3.76Å; L458-L469 HydrophobicContact CD2-CG 4.32Å; L458-L469 HydrophobicContact CG-CD1 4.09Å |
| 459 | V | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.7 | 179.2 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | V410 F439 L443 L457 A467 F468 Y470 | V410-V459 HydrophobicContact CG2-CG1 3.83Å; V410-V459 HydrophobicContact CG2-CG2 4.27Å; F439-V459 HydrophobicContact CD1-CG1 4.2Å; F439-V459 HydrophobicContact CD2-CG1 3.8Å; F439-V459 HydrophobicContact CE1-CG1 3.95Å; F439-V459 HydrophobicContact CE2-CB 3.98Å; F439-V459 HydrophobicContact CE2-CG1 3.52Å; F439-V459 HydrophobicContact CG-CG1 4.12Å; F439-V459 HydrophobicContact CZ-CB 4.11Å; F439-V459 HydrophobicContact CZ-CG1 3.6Å; F439-V459 HydrophobicContact CZ-CG2 4.33Å; L443-V459 HydrophobicContact CD2-CB 4.2Å; L443-V459 HydrophobicContact CD2-CG1 3.91Å; L443-V459 HydrophobicContact CD2-CG2 3.83Å; L457-V459 HydrophobicContact CD2-CG2 4.12Å; L457-V459 HydrophobicContact CG-CG2 3.96Å; V459-A467 CarbonylContact O-C 3.57Å; V459-A467 WeakPolarHBondContact O-CA 3.3Å; V459-F468 PolarHBondContact N-O 2.78Å; V459-F468 PolarHBondContact O-N 2.89Å; V459-Y470 HydrophobicContact CB-CE2 4.28Å; V459-Y470 HydrophobicContact CG2-CD2 3.84Å; V459-Y470 HydrophobicContact CG2-CE2 3.9Å |
| 460 | G | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 146.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G41 F439 G440 S442 | G41-G460 WeakPolarHBondContact O-CA 3.32Å; F439-G460 WeakPolarHBondContact CA-O 3.28Å; G440-G460 PolarHBondContact N-O 2.86Å; S442-G460 PolarHBondContact O-N 2.86Å; S442-G460 WeakPolarHBondContact OG-CA 3.17Å |
| 461 | A | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 66.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L432 S437 F439 A463 A464 D465 Q466 F468 | L432-A461 HydrophobicContact CD1-CB 4.41Å; S437-A461 CarbonylContact O-C 3.49Å; S437-A461 VanDerWaalsContact O-CA 3.27Å; S437-A461 WeakPolarHBondContact O-CA 3.18Å; S437-A461 WeakPolarHBondContact O-CB 3.41Å; F439-A461 HydrophobicContact CB-CB 4.11Å; F439-A461 HydrophobicContact CD2-CB 4.24Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 2.88Å; A461-A464 CarbonylContact O-C 3.57Å; A461-A464 PolarHBondContact O-N 3.01Å; A461-D465 PolarHBondContact O-N 3.3Å; A461-Q466 CarbonylContact C-O 3.48Å; A461-Q466 WeakPolarHBondContact CA-O 3.5Å; A461-Q466 PolarHBondContact N-O 2.9Å; A461-Q466 PolarHBondContact O-N 3.25Å; A461-F468 HydrophobicContact CB-CD2 4.43Å; A461-F468 HydrophobicContact CB-CE2 3.86Å |
| 462 | W | 95.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 15.4 Ų | 15.4 | 21% | 0.205 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -63.8 | -27.1 | -167 | 62 | -102.8 | 0 | 0 | 0 | 114.5 | L39 F40 F42 W402 A438 F441 A464 D465 | L39-W462 HydrophobicContact CB-CB 4.4Å; L39-W462 HydrophobicContact CB-CE3 4.5Å; L39-W462 HydrophobicContact CD2-CE3 3.67Å; L39-W462 HydrophobicContact CD2-CZ3 3.98Å; F40-W462 WeakPolarHBondContact O-CA 3.4Å; F42-W462 HydrophobicContact CB-CB 4.03Å; F42-W462 HydrophobicContact CB-CG 4.46Å; F42-W462 HydrophobicContact CD2-CB 4.41Å; F42-W462 HydrophobicContact CD2-CD2 4.28Å; F42-W462 AromaticContact CD2-CG 4Å; F42-W462 HydrophobicContact CD2-CG 4Å; W402-W462 HydrophobicContact CH2-CH2 4.5Å; W402-W462 HydrophobicContact CH2-CZ2 4.28Å; W402-W462 HydrophobicContact CZ2-CZ2 4.11Å; A438-W462 HydrophobicContact CB-CD2 3.96Å; A438-W462 HydrophobicContact CB-CG 4.13Å; A438-W462 HydrophobicContact CB-CZ2 3.96Å; F441-W462 AromaticContact CD1-CD1 3.35Å; F441-W462 AromaticContact CD1-NE1 3.17Å; F441-W462 AromaticContact CD2-NE1 3.5Å; F441-W462 AromaticContact CE1-NE1 3.7Å; F441-W462 AromaticContact CE2-NE1 3.99Å; F441-W462 AromaticContact CG-CD1 3.53Å; F441-W462 AromaticContact CG-NE1 3.05Å; W462-A464 PolarHBondContact O-N 2.99Å; W462-D465 PolarHBondContact O-N 2.79Å; W462-D465 VanDerWaalsContact O-N 3.13Å |
| 463 | A | 94.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 15.6 Ų | 15.6 | 33% | 0.331 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -72.4 | -15.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | W402 S436 S437 A438 A461 | W402-A463 HydrophobicContact CH2-CB 4.31Å; S436-A463 WeakPolarHBondContact O-CB 3.44Å; S437-A463 PolarHBondContact O-N 3.1Å; A438-A463 HydrophobicContact CB-CB 3.87Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 2.88Å |
| 464 | A | 94.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 15.8 Ų | 15.8 | 23% | 0.231 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -104.7 | 6.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L432 A461 W462 Q466 | L432-A464 HydrophobicContact CD1-CB 3.58Å; A461-A464 CarbonylContact O-C 3.57Å; A461-A464 PolarHBondContact O-N 3.01Å; W462-A464 PolarHBondContact O-N 2.99Å; A464-Q466 VanDerWaalsContact C-N 3.28Å; A464-Q466 WeakPolarHBondContact O-CG 3.31Å; A464-Q466 PolarHBondContact O-N 3.16Å |
| 465 | D | 95.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 11% | 0.112 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 39.5 | -175.3 | -58.2 | -69.1 | 0 | 0 | 0 | 113.5 | G34 A36 G37 S38 L39 F40 A461 W462 | G34-D465 PolarHBondContact N-O 3.34Å; A36-D465 WeakPolarHBondContact CA-OD2 3.18Å; G37-D465 PolarHBondContact N-OD1 2.77Å; G37-D465 PolarHBondContact N-OD2 2.77Å; S38-D465 PolarHBondContact N-OD1 3.43Å; S38-D465 PolarHBondContact OG-OD1 3.03Å; L39-D465 WeakPolarHBondContact CA-OD1 3.15Å; L39-D465 PolarHBondContact N-OD1 2.95Å; F40-D465 HydrophobicContact CB-CB 4.09Å; F40-D465 WeakPolarHBondContact CD1-O 3.36Å; F40-D465 PolarHBondContact N-OD1 3.3Å; F40-D465 CarbonylContact O-C 3.54Å; F40-D465 VanDerWaalsContact O-C 3.25Å; F40-D465 WeakPolarHBondContact O-CA 3.47Å; A461-D465 PolarHBondContact O-N 3.3Å; W462-D465 PolarHBondContact O-N 2.79Å; W462-D465 VanDerWaalsContact O-N 3.13Å |
| 466 | Q | 95.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 15.2 Ų | 15.2 | 14% | 0.14 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159.2 | -173.2 | -75.7 | 179.8 | -19 | 0 | 0 | 114 | F32 S33 F40 A461 A464 F468 | F32-Q466 WeakPolarHBondContact O-CA 3.45Å; S33-Q466 PolarHBondContact OG-NE2 3.49Å; F40-Q466 PolarHBondContact O-N 3.26Å; A461-Q466 CarbonylContact C-O 3.48Å; A461-Q466 WeakPolarHBondContact CA-O 3.5Å; A461-Q466 PolarHBondContact N-O 2.9Å; A461-Q466 PolarHBondContact O-N 3.25Å; A464-Q466 VanDerWaalsContact C-N 3.28Å; A464-Q466 WeakPolarHBondContact O-CG 3.31Å; A464-Q466 PolarHBondContact O-N 3.16Å; Q466-F468 HydrophobicContact CB-CE2 4.12Å; Q466-F468 HydrophobicContact CB-CZ 4.18Å |
| 467 | A | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F32 F40 I44 I57 V459 | F32-A467 HydrophobicContact CB-CB 4.48Å; F32-A467 PolarHBondContact N-O 3.33Å; F32-A467 PolarHBondContact O-N 2.76Å; F40-A467 HydrophobicContact CE1-CB 4.4Å; I44-A467 HydrophobicContact CG2-CB 4.4Å; I57-A467 HydrophobicContact CD1-CB 3.66Å; V459-A467 CarbonylContact O-C 3.57Å; V459-A467 WeakPolarHBondContact O-CA 3.3Å |
| 468 | F | 94.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.4 | -172.6 | -59.7 | -85.2 | 0 | 0 | 0 | 110.6 | P29 V30 M31 P431 L432 F439 L458 V459 A461 Q466 Y470 | P29-F468 HydrophobicContact CB-CB 4.02Å; P29-F468 HydrophobicContact CB-CD1 4.27Å; P29-F468 HydrophobicContact CG-CB 4.36Å; P29-F468 HydrophobicContact CG-CD1 3.81Å; P29-F468 HydrophobicContact CG-CG 4.49Å; V30-F468 WeakPolarHBondContact O-CA 3.31Å; M31-F468 HydrophobicContact CB-CD1 4.11Å; M31-F468 HydrophobicContact CB-CE1 4.01Å; M31-F468 HydrophobicContact CG-CD1 4.05Å; M31-F468 HydrophobicContact CG-CE1 3.54Å; M31-F468 HydrophobicContact CG-CZ 4.21Å; M31-F468 HydrophobicContact SD-CE1 3.86Å; M31-F468 HydrophobicContact SD-CZ 4.36Å; P431-F468 HydrophobicContact CG-CD1 3.74Å; P431-F468 HydrophobicContact CG-CE1 3.31Å; P431-F468 HydrophobicContact CG-CE2 4.22Å; P431-F468 HydrophobicContact CG-CG 4.35Å; P431-F468 HydrophobicContact CG-CZ 3.6Å; L432-F468 HydrophobicContact CD1-CE2 4.16Å; L432-F468 HydrophobicContact CD1-CZ 3.95Å; L432-F468 HydrophobicContact CD2-CZ 4.06Å; L432-F468 HydrophobicContact CG-CZ 3.91Å; F439-F468 AromaticContact CD2-CD2 3.71Å; F439-F468 HydrophobicContact CD2-CD2 3.71Å; F439-F468 AromaticContact CD2-CE2 3.89Å; F439-F468 HydrophobicContact CD2-CE2 3.89Å; F439-F468 HydrophobicContact CE2-CB 4.35Å; F439-F468 AromaticContact CE2-CD2 3.56Å; F439-F468 HydrophobicContact CE2-CD2 3.56Å; F439-F468 HydrophobicContact CE2-CE2 4.12Å; F439-F468 HydrophobicContact CE2-CG 4.08Å; L458-F468 CarbonylContact C-O 3.44Å; L458-F468 WeakPolarHBondContact CA-O 3.32Å; V459-F468 PolarHBondContact N-O 2.78Å; V459-F468 PolarHBondContact O-N 2.89Å; A461-F468 HydrophobicContact CB-CD2 4.43Å; A461-F468 HydrophobicContact CB-CE2 3.86Å; Q466-F468 HydrophobicContact CB-CE2 4.12Å; Q466-F468 HydrophobicContact CB-CZ 4.18Å; F468-Y470 HydrophobicContact CB-CD2 4.22Å; F468-Y470 HydrophobicContact CB-CE2 3.59Å; F468-Y470 HydrophobicContact CG-CE2 4.5Å |
| 469 | L | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.8 | 171.6 | 172.2 | 66.3 | 0 | 0 | 0 | 110 | P29 V30 F32 F46 W80 L449 D456 L458 R471 | P29-L469 CarbonylContact C-O 3.51Å; P29-L469 WeakPolarHBondContact CA-O 3.28Å; P29-L469 VanDerWaalsContact CB-O 3.31Å; P29-L469 WeakPolarHBondContact CB-O 3.44Å; V30-L469 HydrophobicContact CB-CB 4.25Å; V30-L469 PolarHBondContact N-O 2.82Å; V30-L469 PolarHBondContact O-N 2.86Å; F32-L469 HydrophobicContact CE2-CB 3.88Å; F46-L469 HydrophobicContact CE1-CD1 4Å; F46-L469 HydrophobicContact CZ-CD1 4.28Å; W80-L469 HydrophobicContact CB-CD2 4.15Å; L449-L469 HydrophobicContact CD1-CD1 3.71Å; L449-L469 HydrophobicContact CD1-CD2 3.43Å; L449-L469 VanDerWaalsContact CD1-CD2 3.43Å; L449-L469 HydrophobicContact CD1-CG 4.2Å; D456-L469 HydrophobicContact CB-CD1 4.02Å; L458-L469 HydrophobicContact CD2-CB 3.73Å; L458-L469 HydrophobicContact CD2-CD1 3.76Å; L458-L469 HydrophobicContact CD2-CG 4.32Å; L458-L469 HydrophobicContact CG-CD1 4.09Å; L469-R471 HydrophobicContact CG-CG 4.43Å |
| 470 | Y | 92.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.1 | 173.2 | -68.5 | -93.7 | 0 | 0 | 0 | 109.1 | L26 P29 I428 F439 L457 V459 F468 | L26-Y470 VanDerWaalsContact O-CD1 3.26Å; L26-Y470 WeakPolarHBondContact O-CD1 3.25Å; P29-Y470 HydrophobicContact CB-CD1 4.14Å; P29-Y470 HydrophobicContact CB-CD2 4.22Å; P29-Y470 HydrophobicContact CB-CE1 3.93Å; P29-Y470 HydrophobicContact CB-CE2 4.03Å; P29-Y470 HydrophobicContact CB-CG 4.26Å; P29-Y470 HydrophobicContact CG-CE1 4.03Å; P29-Y470 HydrophobicContact CG-CE2 4.44Å; I428-Y470 HydrophobicContact CD1-CD1 4.28Å; I428-Y470 HydrophobicContact CD1-CG 4.35Å; I428-Y470 HydrophobicContact CG2-CD1 4.21Å; I428-Y470 HydrophobicContact CG2-CE1 3.47Å; I428-Y470 VanDerWaalsContact CG2-CE1 3.47Å; I428-Y470 HydrophobicContact CG2-CE2 4.05Å; I428-Y470 WeakPolarHBondContact CG2-OH 3.44Å; F439-Y470 HydrophobicContact CE2-CE2 4.12Å; F439-Y470 AromaticContact CZ-CE2 3.86Å; F439-Y470 HydrophobicContact CZ-CE2 3.86Å; F439-Y470 AromaticContact CZ-CZ 3.94Å; F439-Y470 WeakPolarHBondContact CZ-OH 3.44Å; L457-Y470 PolarHBondContact N-O 3.13Å; L457-Y470 PolarHBondContact O-N 2.89Å; V459-Y470 HydrophobicContact CB-CE2 4.28Å; V459-Y470 HydrophobicContact CG2-CD2 3.84Å; V459-Y470 HydrophobicContact CG2-CE2 3.9Å; F468-Y470 HydrophobicContact CB-CD2 4.22Å; F468-Y470 HydrophobicContact CB-CE2 3.59Å; F468-Y470 HydrophobicContact CG-CE2 4.5Å |
| 471 | R | 89.9 | Confident | 92.5 | Very high | 75 Ų | 75 | 29 Ų | 29 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | P | Polyproline II helix | trans | -90.9 | 145.3 | 175.8 | -67 | -178.6 | -66.9 | 147.3 | -3.7 | 111.4 | L26 D450 D456 L469 | L26-R471 WeakPolarHBondContact CB-O 3.4Å; L26-R471 HydrophobicContact CD1-CB 4.07Å; L26-R471 WeakPolarHBondContact CG-O 3.41Å; L26-R471 PolarHBondContact N-O 2.81Å; D450-R471 IonicContact OD2-NH1 4Å; D450-R471 PolarHBondContact OD2-NH1 2.75Å; D450-R471 VanDerWaalsContact OD2-NH1 3.07Å; D456-R471 WeakPolarHBondContact OD1-CA 3.36Å; L469-R471 HydrophobicContact CG-CG 4.43Å |
| 472 | S | 90 | Very high | 92.4 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 150 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | N24 N452 Y454 P455 D456 | N24-S472 CarbonylContact O-C 3.54Å; N24-S472 WeakPolarHBondContact O-CA 3.25Å; N452-S472 PolarHBondContact ND2-O 3.01Å; Y454-S472 WeakPolarHBondContact CB-OG 3.4Å; Y454-S472 PolarHBondContact O-OG 2.81Å; P455-S472 VanDerWaalsContact O-CB 3.31Å; P455-S472 WeakPolarHBondContact O-CB 3.25Å; P455-S472 PolarHBondContact O-OG 3.04Å; P455-S472 VanDerWaalsContact O-OG 3.05Å; D456-S472 PolarHBondContact OD1-N 3.45Å; D456-S472 PolarHBondContact OD1-OG 2.82Å |
| 473 | Q | 87.4 | Confident | 92.3 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -102.6 | 153.3 | 170.8 | -69.8 | -170.4 | -11.6 | 0 | 0 | 110 | N24 L26 V475 N600 | N24-Q473 PolarHBondContact O-N 3.24Å; L26-Q473 HydrophobicContact CD2-CG 3.51Å; L26-Q473 HydrophobicContact CG-CG 3.9Å; Q473-V475 PolarHBondContact O-N 3.47Å; Q473-N600 WeakPolarHBondContact CB-O 3.16Å |
| 474 | A | 87.5 | Confident | 92.2 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y454 N600 A601 L602 | Y454-A474 HydrophobicContact CD2-CB 4.47Å; Y454-A474 HydrophobicContact CE2-CB 3.76Å; A474-N600 PolarHBondContact N-O 3.41Å; A474-A601 HydrophobicContact CB-CB 4.2Å; A474-A601 CarbonylContact O-C 3.27Å; A474-A601 WeakPolarHBondContact O-CA 3.31Å; A474-A601 WeakPolarHBondContact O-CB 3.48Å; A474-L602 PolarHBondContact O-N 3.34Å |
| 475 | V | 89.3 | Confident | 91.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.6 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | N24 D389 Y454 Q473 R477 H604 | N24-V475 HydrophobicContact CB-CG2 3.63Å; D389-V475 HydrophobicContact CB-CG2 4.07Å; Y454-V475 HydrophobicContact CE1-CB 4.33Å; Y454-V475 HydrophobicContact CE1-CG2 4.17Å; Y454-V475 PolarHBondContact OH-N 3.43Å; Y454-V475 VanDerWaalsContact OH-N 3.13Å; Q473-V475 PolarHBondContact O-N 3.47Å; V475-R477 HydrophobicContact CG1-CG 4.39Å; V475-H604 HydrophobicContact CG1-CB 3.79Å |
| 476 | I | 88.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 100.8 | 176.3 | -60.9 | 178.3 | 0 | 0 | 0 | 107.7 | S478 V514 I519 T523 L594 A601 L602 L603 H604 | I476-S478 PolarHBondContact O-N 3.06Å; I476-V514 HydrophobicContact CG2-CG1 3.33Å; I476-I519 HydrophobicContact CG1-CB 4.28Å; I476-I519 HydrophobicContact CG1-CG2 3.8Å; I476-T523 HydrophobicContact CD1-CG2 3.92Å; I476-T523 HydrophobicContact CG2-CG2 4.35Å; I476-L594 HydrophobicContact CD1-CD2 4.2Å; I476-A601 HydrophobicContact CD1-CB 3.63Å; I476-A601 HydrophobicContact CG1-CB 3.98Å; I476-L602 PolarHBondContact N-O 3.16Å; I476-L603 HydrophobicContact CB-CD1 4.21Å; I476-L603 HydrophobicContact CG2-CD1 3.8Å; I476-H604 PolarHBondContact O-N 2.8Å |
| 477 | R | 89.4 | Confident | 90.6 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.5 | 173.8 | -67.9 | -168 | -177.1 | 89.2 | 20.9 | 110.2 | D389 M390 D391 V475 V514 S515 H604 | D389-R477 VanDerWaalsContact C-NH2 3.32Å; D389-R477 PolarHBondContact O-NH2 2.69Å; D389-R477 IonicContact OD1-NH2 3.54Å; D389-R477 PolarHBondContact OD1-NH2 3.34Å; D389-R477 IonicContact OD2-CZ 2.81Å; D389-R477 IonicContact OD2-NH2 2.95Å; D389-R477 PolarHBondContact OD2-NH2 2.84Å; M390-R477 VanDerWaalsContact C-NH2 3.33Å; M390-R477 PolarHBondContact O-NH1 3.45Å; M390-R477 PolarHBondContact O-NH2 3.44Å; D391-R477 VanDerWaalsContact CA-NH2 3.27Å; V475-R477 HydrophobicContact CG1-CG 4.39Å; R477-V514 WeakPolarHBondContact O-CA 3.42Å; R477-S515 WeakPolarHBondContact CA-O 3.14Å; R477-S515 PolarHBondContact N-O 2.89Å; R477-S515 PolarHBondContact O-N 2.96Å; R477-S515 PolarHBondContact O-OG 3.11Å; R477-H604 WeakPolarHBondContact CA-O 2.98Å |
| 478 | S | 90.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.9 | -178.5 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | I476 H513 H604 Q606 | I476-S478 PolarHBondContact O-N 3.06Å; S478-H513 CarbonylContact C-O 3.58Å; S478-H513 VanDerWaalsContact CA-O 3.31Å; S478-H513 WeakPolarHBondContact CA-O 3.36Å; S478-H604 PolarHBondContact N-O 2.87Å; S478-H604 PolarHBondContact OG-O 3.28Å; S478-H604 VanDerWaalsContact OG-O 3.06Å; S478-Q606 PolarHBondContact O-N 3.43Å |
| 479 | R | 92.8 | Very high | 89.4 | Confident | 168 Ų | 168 | 41.7 Ų | 41.7 | 63% | 0.634 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 105.7 | 169.6 | -174 | -178.6 | -176 | -177.6 | 1.4 | 109.5 | H513 | R479-H513 HydrophobicContact CB-CB 4.33Å; R479-H513 PolarHBondContact N-O 3.49Å; R479-H513 PolarHBondContact O-N 3.09Å |
| 480 | V | 94.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 139.4 | 172 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | M510 V512 A590 I592 Q606 S609 | V480-M510 HydrophobicContact CG1-CE 4Å; V480-V512 HydrophobicContact CG2-CG1 4.4Å; V480-V512 HydrophobicContact CG2-CG2 4.27Å; V480-A590 HydrophobicContact CG1-CB 3.92Å; V480-I592 HydrophobicContact CG2-CB 4.1Å; V480-I592 HydrophobicContact CG2-CD1 3.43Å; V480-I592 VanDerWaalsContact CG2-CD1 3.43Å; V480-I592 HydrophobicContact CG2-CG1 3.47Å; V480-I592 VanDerWaalsContact CG2-CG1 3.47Å; V480-I592 HydrophobicContact CG2-CG2 3.56Å; V480-Q606 PolarHBondContact N-O 2.87Å; V480-S609 WeakPolarHBondContact O-CB 3.42Å |
| 481 | S | 93.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.5 | 172.3 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | M510 C511 | S481-M510 WeakPolarHBondContact O-CA 3.34Å; S481-C511 PolarHBondContact N-O 2.85Å; S481-C511 PolarHBondContact O-N 2.77Å; S481-C511 PolarHBondContact OG-O 2.88Å |
| 482 | V | 94.3 | Very high | 88 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 9% | 0.085 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140 | 172.9 | -177 | 0 | 0 | 0 | 0 | 107.6 | L484 V508 R509 I588 A590 V611 | V482-L484 HydrophobicContact CG1-CD2 4.22Å; V482-V508 HydrophobicContact CG1-CG1 3.91Å; V482-R509 CarbonylContact C-O 3.6Å; V482-R509 WeakPolarHBondContact CA-O 3.47Å; V482-I588 HydrophobicContact CG1-CG2 4.07Å; V482-A590 HydrophobicContact CG2-CB 3.29Å; V482-V611 HydrophobicContact CB-CB 4.3Å; V482-V611 HydrophobicContact CB-CG2 3.95Å; V482-V611 HydrophobicContact CG1-CB 4.44Å; V482-V611 WeakPolarHBondContact O-CG2 3.46Å |
| 483 | S | 92.9 | Very high | 87.8 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.8 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | R509 | S483-R509 PolarHBondContact N-O 2.84Å; S483-R509 PolarHBondContact O-N 2.81Å; S483-R509 WeakPolarHBondContact OG-CB 3.33Å; S483-R509 PolarHBondContact OG-O 3.22Å |
| 484 | L | 92 | Very high | 87.8 | Confident | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.8 | -175.9 | -54.2 | -178.4 | 0 | 0 | 0 | 109.2 | V482 P486 F506 A507 V508 I588 V611 | V482-L484 HydrophobicContact CG1-CD2 4.22Å; L484-P486 CarbonylContact C-O 3.54Å; L484-F506 HydrophobicContact CD2-CD2 4.43Å; L484-F506 HydrophobicContact CD2-CE2 4.26Å; L484-A507 WeakPolarHBondContact CA-O 3.5Å; L484-V508 HydrophobicContact CD2-CB 4.23Å; L484-V508 HydrophobicContact CD2-CG1 3.93Å; L484-V508 HydrophobicContact CD2-CG2 3.9Å; L484-I588 HydrophobicContact CD1-CD1 3.88Å; L484-I588 HydrophobicContact CD2-CD1 3.53Å; L484-I588 HydrophobicContact CG-CD1 4.38Å; L484-V611 HydrophobicContact CD1-CG1 3.84Å; L484-V611 HydrophobicContact CG-CG1 4Å |
| 485 | L | 89.1 | Confident | 87.8 | Confident | 136 Ų | 136 | 58 Ų | 58 | 71% | 0.712 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 111 | 176.4 | -164.7 | 82.9 | 0 | 0 | 0 | 110.3 | A507 | L485-A507 HydrophobicContact CB-CB 4.38Å; L485-A507 PolarHBondContact N-O 2.9Å; L485-A507 PolarHBondContact O-N 2.91Å |
| 486 | P | 86.6 | Confident | 87.9 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | S | Bend | cis | -65.4 | 162.1 | -10.8 | 28.9 | -35.1 | 0 | 0 | 0 | 112.9 | L484 F488 | L484-P486 CarbonylContact C-O 3.54Å; P486-F488 VanDerWaalsContact C-N 3.3Å; P486-F488 HydrophobicContact CB-CE2 4.45Å; P486-F488 WeakPolarHBondContact CB-O 3.49Å; P486-F488 VanDerWaalsContact CG-O 3.23Å; P486-F488 WeakPolarHBondContact CG-O 3.3Å |
| 487 | D | 76.9 | Confident | 87.9 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -78 | -14.9 | 176.6 | 60.3 | -25.7 | 0 | 0 | 0 | 113.2 | S613 | D487-S613 PolarHBondContact O-OG 2.82Š|
| 488 | F | 81 | Confident | 87.7 | Confident | 78 Ų | 78 | 64 Ų | 64 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.8 | 170.8 | 51.4 | -96.6 | 0 | 0 | 0 | 111.8 | P486 R614 I616 | P486-F488 VanDerWaalsContact C-N 3.3Å; P486-F488 HydrophobicContact CB-CE2 4.45Å; P486-F488 WeakPolarHBondContact CB-O 3.49Å; P486-F488 VanDerWaalsContact CG-O 3.23Å; P486-F488 WeakPolarHBondContact CG-O 3.3Å; F488-R614 HydrophobicContact CB-CG 4.46Å; F488-I616 HydrophobicContact CB-CD1 4.14Å; F488-I616 HydrophobicContact CB-CG1 4.09Å; F488-I616 HydrophobicContact CD2-CD1 3.29Å; F488-I616 HydrophobicContact CD2-CG1 4.11Å; F488-I616 HydrophobicContact CE2-CD1 3.8Å; F488-I616 HydrophobicContact CG-CD1 3.78Å; F488-I616 HydrophobicContact CG-CG1 4.3Å |
| 489 | L | 84.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.6 | 178.3 | -56.7 | -178.7 | 0 | 0 | 0 | 110 | F506 T542 L573 I586 R614 L615 I616 | L489-F506 HydrophobicContact CD1-CD1 4.08Å; L489-F506 HydrophobicContact CD1-CE1 3.84Å; L489-F506 HydrophobicContact CD1-CZ 4.41Å; L489-F506 HydrophobicContact CD2-CB 3.66Å; L489-F506 HydrophobicContact CD2-CD1 3.24Å; L489-F506 HydrophobicContact CD2-CD2 4.26Å; L489-F506 HydrophobicContact CD2-CE1 3.86Å; L489-F506 HydrophobicContact CD2-CG 3.47Å; L489-F506 VanDerWaalsContact CD2-CG 3.47Å; L489-F506 HydrophobicContact CG-CD1 4.31Å; L489-T542 HydrophobicContact CD1-CG2 4.18Å; L489-L573 HydrophobicContact CD1-CD1 4.41Å; L489-I586 HydrophobicContact CD1-CD1 3.57Å; L489-R614 PolarHBondContact N-O 2.88Å; L489-L615 HydrophobicContact CB-CD2 4.1Å; L489-L615 WeakPolarHBondContact O-CA 3.26Å; L489-I616 PolarHBondContact O-N 2.98Å; L489-I616 VanDerWaalsContact O-N 3.1Å |
| 490 | N | 82.4 | Confident | 87 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | trans | -103.7 | 113.6 | 168.1 | -174 | -24.3 | 0 | 0 | 0 | 108.4 | D492 V493 S504 | N490-D492 PolarHBondContact O-N 2.93Å; N490-D492 WeakPolarHBondContact OD1-CB 3.5Å; N490-D492 PolarHBondContact OD1-N 3.28Å; N490-V493 HydrophobicContact CB-CB 4.17Å; N490-V493 HydrophobicContact CB-CG2 3.88Å; N490-V493 PolarHBondContact O-N 2.89Å; N490-S504 WeakPolarHBondContact O-CB 2.99Å; N490-S504 PolarHBondContact O-OG 2.81Å | ||
| 491 | P | 83.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27 | 177.2 | -26.6 | 36.5 | 0 | 0 | 0 | 114.6 | K494 L573 E576 L615 | P491-K494 WeakPolarHBondContact O-CE 3.42Å; P491-L573 HydrophobicContact CB-CD2 4.24Å; P491-L573 HydrophobicContact CG-CD2 4.02Å; P491-E576 HydrophobicContact CB-CG 4.48Å; P491-L615 HydrophobicContact CG-CD2 3.73Å |
| 492 | D | 81.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22.6 | -177.1 | -60.7 | -41.5 | 0 | 0 | 0 | 112.4 | N490 K494 | N490-D492 PolarHBondContact O-N 2.93Å; N490-D492 WeakPolarHBondContact OD1-CB 3.5Å; N490-D492 PolarHBondContact OD1-N 3.28Å; D492-K494 PolarHBondContact O-N 2.84Å |
| 493 | V | 84.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | trans | -89.6 | 87.9 | -178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | N490 L495 S504 | N490-V493 HydrophobicContact CB-CB 4.17Å; N490-V493 HydrophobicContact CB-CG2 3.88Å; N490-V493 PolarHBondContact O-N 2.89Å; V493-L495 HydrophobicContact CG1-CD1 3.79Å; V493-L495 HydrophobicContact CG1-CD2 4.44Å; V493-L495 HydrophobicContact CG1-CG 3.76Å; V493-L495 PolarHBondContact O-N 2.82Å; V493-S504 WeakPolarHBondContact O-CA 3.36Å | ||
| 494 | K | 88.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | trans | -97.9 | 77 | -176.2 | -61.3 | 174.7 | -176.5 | 172.9 | 0 | 112.5 | P491 D492 P502 V503 | P491-K494 WeakPolarHBondContact O-CE 3.42Å; D492-K494 PolarHBondContact O-N 2.84Å; K494-P502 HydrophobicContact CB-CB 3.97Å; K494-P502 HydrophobicContact CD-CB 4.43Å; K494-V503 CarbonylContact C-O 3.39Å; K494-V503 WeakPolarHBondContact CA-O 3.12Å | ||
| 495 | L | 87.9 | Confident | 86.4 | Confident | 139 Ų | 139 | 72.4 Ų | 72.4 | 73% | 0.728 | 39% | 0.385 | S | S | * | . | trans | -83.3 | -24.1 | -175.3 | -66.8 | 169.2 | 0 | 0 | 0 | 114.6 | V493 V503 | V493-L495 HydrophobicContact CG1-CD1 3.79Å; V493-L495 HydrophobicContact CG1-CD2 4.44Å; V493-L495 HydrophobicContact CG1-CG 3.76Å; V493-L495 PolarHBondContact O-N 2.82Å; L495-V503 PolarHBondContact N-O 2.84Å | ||
| 496 | C | 90.5 | Very high | 86.6 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 164.2 | -179.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | P502 V503 C505 L545 | C496-P502 CarbonylContact O-C 3.56Å; C496-P502 WeakPolarHBondContact O-CA 3.42Å; C496-V503 HydrophobicContact CB-CG2 4.02Å; C496-V503 PolarHBondContact N-O 3.4Å; C496-V503 PolarHBondContact O-N 3.42Å; C496-C505 HydrophobicContact CB-CB 3.47Å; C496-C505 VanDerWaalsContact CB-CB 3.47Å; C496-C505 WeakPolarHBondContact CB-SG 3.49Å; C496-C505 WeakPolarHBondContact SG-CB 3.35Å; C496-C505 CovalentContact SG-SG 2.01Å; C496-C505 PolarHBondContact SG-SG 3.43Å; C496-L545 HydrophobicContact CB-CD2 4.39Å |
| 497 | H | 89.2 | Confident | 87 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123 | 173.4 | -67.1 | 74 | 0 | 0 | 0 | 109.7 | T501 | H497-T501 WeakPolarHBondContact CA-O 3.26Å |
| 498 | H | 85.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.153 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 109.4 | 166.5 | 175.6 | -110.8 | 0 | 0 | 0 | 108 | T500 T501 V503 L545 | H498-T500 VanDerWaalsContact C-N 3.33Å; H498-T500 PolarHBondContact O-N 2.83Å; H498-T501 PolarHBondContact N-O 3.42Å; H498-T501 PolarHBondContact O-N 3.19Å; H498-T501 PolarHBondContact O-OG1 3.17Å; H498-V503 HydrophobicContact CB-CG1 4.02Å; H498-V503 HydrophobicContact CB-CG2 4.06Å; H498-L545 HydrophobicContact CB-CD1 3.92Å |
| 499 | K | 84.1 | Confident | 88.6 | Confident | 184 Ų | 184 | 63.3 Ų | 63.3 | 80% | 0.8 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -89.7 | -166.5 | -53.7 | 177.8 | -178.1 | 179.1 | 0 | 111.1 | ||
| 500 | T | 83.9 | Confident | 89.1 | Confident | 124 Ų | 124 | 63.3 Ų | 63.3 | 76% | 0.761 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -6 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | H498 | H498-T500 VanDerWaalsContact C-N 3.33Å; H498-T500 PolarHBondContact O-N 2.83Å |
| 501 | T | 87.5 | Confident | 89.7 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.8 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | H497 H498 V503 | H497-T501 WeakPolarHBondContact CA-O 3.26Å; H498-T501 PolarHBondContact N-O 3.42Å; H498-T501 PolarHBondContact O-N 3.19Å; H498-T501 PolarHBondContact O-OG1 3.17Å; T501-V503 PolarHBondContact O-N 2.76Å |
| 502 | P | 91.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 130.3 | 174.6 | 29 | -33.6 | 0 | 0 | 0 | 109.8 | K494 C496 | K494-P502 HydrophobicContact CB-CB 3.97Å; K494-P502 HydrophobicContact CD-CB 4.43Å; C496-P502 CarbonylContact O-C 3.56Å; C496-P502 WeakPolarHBondContact O-CA 3.42Å |
| 503 | V | 91.9 | Very high | 90.8 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.3 | -176.6 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | K494 L495 C496 H498 T501 L545 Y572 | K494-V503 CarbonylContact C-O 3.39Å; K494-V503 WeakPolarHBondContact CA-O 3.12Å; L495-V503 PolarHBondContact N-O 2.84Å; C496-V503 HydrophobicContact CB-CG2 4.02Å; C496-V503 PolarHBondContact N-O 3.4Å; C496-V503 PolarHBondContact O-N 3.42Å; H498-V503 HydrophobicContact CB-CG1 4.02Å; H498-V503 HydrophobicContact CB-CG2 4.06Å; T501-V503 PolarHBondContact O-N 2.76Å; V503-L545 HydrophobicContact CG2-CD1 4.5Å; V503-Y572 HydrophobicContact CB-CD2 3.8Å; V503-Y572 HydrophobicContact CB-CG 4.35Å; V503-Y572 HydrophobicContact CG1-CD2 3.85Å; V503-Y572 HydrophobicContact CG1-CE2 4.14Å; V503-Y572 HydrophobicContact CG2-CD2 3.96Å; V503-Y572 HydrophobicContact CG2-CG 4.06Å |
| 504 | S | 91.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | trans | -73.4 | 122.9 | 169.4 | 166.3 | 0 | 0 | 0 | 0 | 108.8 | N490 V493 Y572 L573 | N490-S504 WeakPolarHBondContact O-CB 2.99Å; N490-S504 PolarHBondContact O-OG 2.81Å; V493-S504 WeakPolarHBondContact O-CA 3.36Å; S504-Y572 CarbonylContact O-C 3.57Å; S504-Y572 WeakPolarHBondContact O-CA 3.17Å; S504-Y572 WeakPolarHBondContact O-CB 3.3Å; S504-L573 PolarHBondContact O-N 3.2Å | ||
| 505 | C | 93 | Very high | 91.2 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.5 | -175.5 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | C496 T570 A571 | C496-C505 HydrophobicContact CB-CB 3.47Å; C496-C505 VanDerWaalsContact CB-CB 3.47Å; C496-C505 WeakPolarHBondContact CB-SG 3.49Å; C496-C505 WeakPolarHBondContact SG-CB 3.35Å; C496-C505 CovalentContact SG-SG 2.01Å; C496-C505 PolarHBondContact SG-SG 3.43Å; C505-T570 HydrophobicContact CB-CG2 4.24Å; C505-A571 CarbonylContact C-O 3.56Å; C505-A571 WeakPolarHBondContact CA-O 3.34Å; C505-A571 WeakPolarHBondContact CB-O 3.37Å |
| 506 | F | 93.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.9 | 179.5 | 62.7 | -77.7 | 0 | 0 | 0 | 109.7 | L484 L489 V508 T542 A571 I588 | L484-F506 HydrophobicContact CD2-CD2 4.43Å; L484-F506 HydrophobicContact CD2-CE2 4.26Å; L489-F506 HydrophobicContact CD1-CD1 4.08Å; L489-F506 HydrophobicContact CD1-CE1 3.84Å; L489-F506 HydrophobicContact CD1-CZ 4.41Å; L489-F506 HydrophobicContact CD2-CB 3.66Å; L489-F506 HydrophobicContact CD2-CD1 3.24Å; L489-F506 HydrophobicContact CD2-CD2 4.26Å; L489-F506 HydrophobicContact CD2-CE1 3.86Å; L489-F506 HydrophobicContact CD2-CG 3.47Å; L489-F506 VanDerWaalsContact CD2-CG 3.47Å; L489-F506 HydrophobicContact CG-CD1 4.31Å; F506-V508 HydrophobicContact CD2-CG2 3.83Å; F506-V508 HydrophobicContact CE2-CG2 3.47Å; F506-V508 VanDerWaalsContact CE2-CG2 3.47Å; F506-V508 HydrophobicContact CZ-CG2 4.38Å; F506-T542 HydrophobicContact CE1-CG2 3.89Å; F506-T542 HydrophobicContact CZ-CG2 4.08Å; F506-A571 HydrophobicContact CD1-CB 4.22Å; F506-A571 HydrophobicContact CD2-CB 4.45Å; F506-A571 HydrophobicContact CE1-CB 3.64Å; F506-A571 HydrophobicContact CE2-CB 3.89Å; F506-A571 HydrophobicContact CZ-CB 3.46Å; F506-A571 VanDerWaalsContact CZ-CB 3.46Å; F506-A571 PolarHBondContact N-O 2.7Å; F506-A571 PolarHBondContact O-N 3.38Å; F506-I588 HydrophobicContact CE2-CD1 3.48Å; F506-I588 VanDerWaalsContact CE2-CD1 3.48Å; F506-I588 HydrophobicContact CZ-CD1 3.91Å |
| 507 | A | 94.4 | Very high | 91 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | L484 L485 | L484-A507 WeakPolarHBondContact CA-O 3.5Å; L485-A507 HydrophobicContact CB-CB 4.38Å; L485-A507 PolarHBondContact N-O 2.9Å; L485-A507 PolarHBondContact O-N 2.91Å |
| 508 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.1 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 107.3 | V482 L484 F506 L529 L531 H569 A571 I588 | V482-V508 HydrophobicContact CG1-CG1 3.91Å; L484-V508 HydrophobicContact CD2-CB 4.23Å; L484-V508 HydrophobicContact CD2-CG1 3.93Å; L484-V508 HydrophobicContact CD2-CG2 3.9Å; F506-V508 HydrophobicContact CD2-CG2 3.83Å; F506-V508 HydrophobicContact CE2-CG2 3.47Å; F506-V508 VanDerWaalsContact CE2-CG2 3.47Å; F506-V508 HydrophobicContact CZ-CG2 4.38Å; V508-L529 HydrophobicContact CB-CD2 4.47Å; V508-L529 HydrophobicContact CG1-CD1 4.02Å; V508-L529 HydrophobicContact CG1-CD2 3.93Å; V508-L531 HydrophobicContact CG2-CD2 4.41Å; V508-H569 PolarHBondContact N-O 3.1Å; V508-H569 PolarHBondContact O-N 3.33Å; V508-A571 HydrophobicContact CG2-CB 4.02Å; V508-I588 HydrophobicContact CG1-CG2 3.98Å; V508-I588 HydrophobicContact CG2-CD1 4.21Å |
| 509 | R | 95.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 51.1 Ų | 51.1 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.3 | 176.6 | 173.1 | 171.7 | -174.6 | 174.6 | 3 | 109.5 | V482 S483 C511 T567 N568 | V482-R509 CarbonylContact C-O 3.6Å; V482-R509 WeakPolarHBondContact CA-O 3.47Å; S483-R509 PolarHBondContact N-O 2.84Å; S483-R509 PolarHBondContact O-N 2.81Å; S483-R509 WeakPolarHBondContact OG-CB 3.33Å; S483-R509 PolarHBondContact OG-O 3.22Å; R509-C511 PolarHBondContact NE-SG 2.88Å; R509-C511 VanDerWaalsContact NE-SG 3.38Å; R509-T567 WeakPolarHBondContact CA-O 3.42Å; R509-N568 WeakPolarHBondContact CB-OD1 3.47Å; R509-N568 WeakPolarHBondContact CD-OD1 2.97Å; R509-N568 WeakPolarHBondContact CG-OD1 2.88Å |
| 510 | M | 95 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.3 | 171.1 | 177.8 | 177.8 | 173.6 | 0 | 0 | 108.4 | V480 S481 V512 M554 L556 C566 T567 A590 I592 | V480-M510 HydrophobicContact CG1-CE 4Å; S481-M510 WeakPolarHBondContact O-CA 3.34Å; M510-V512 HydrophobicContact CE-CG2 3.8Å; M510-M554 HydrophobicContact CE-CE 4.18Å; M510-M554 HydrophobicContact SD-CE 3.15Å; M510-M554 WeakPolarHBondContact SD-CE 3.32Å; M510-L556 HydrophobicContact CE-CD1 3.95Å; M510-C566 CarbonylContact O-C 3.41Å; M510-C566 WeakPolarHBondContact O-CA 3.37Å; M510-T567 PolarHBondContact N-O 2.92Å; M510-T567 PolarHBondContact O-N 2.88Å; M510-A590 HydrophobicContact CE-CB 4Å; M510-A590 HydrophobicContact CG-CB 4.11Å; M510-A590 HydrophobicContact SD-CB 3.76Å; M510-I592 HydrophobicContact CE-CG2 3.42Å; M510-I592 VanDerWaalsContact CE-CG2 3.42Å |
| 511 | C | 95.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.6 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 109.6 | S481 R509 L564 A565 C566 | S481-C511 PolarHBondContact N-O 2.85Å; S481-C511 PolarHBondContact O-N 2.77Å; S481-C511 PolarHBondContact OG-O 2.88Å; R509-C511 PolarHBondContact NE-SG 2.88Å; R509-C511 VanDerWaalsContact NE-SG 3.38Å; C511-L564 HydrophobicContact CB-CD1 4.11Å; C511-A565 CarbonylContact C-O 3.55Å; C511-A565 WeakPolarHBondContact CA-O 3.02Å; C511-C566 HydrophobicContact CB-CB 4.16Å; C511-C566 WeakPolarHBondContact CB-SG 3.28Å; C511-C566 WeakPolarHBondContact SG-CB 3.42Å; C511-C566 CovalentContact SG-SG 2.04Å; C511-C566 PolarHBondContact SG-SG 2.86Å |
| 512 | V | 94.7 | Very high | 91 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.3 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | V480 M510 V514 L525 L556 L564 A565 I592 | V480-V512 HydrophobicContact CG2-CG1 4.4Å; V480-V512 HydrophobicContact CG2-CG2 4.27Å; M510-V512 HydrophobicContact CE-CG2 3.8Å; V512-V514 HydrophobicContact CG1-CG2 4.12Å; V512-L525 HydrophobicContact CG1-CD1 3.67Å; V512-L556 HydrophobicContact CG2-CD1 3.66Å; V512-L564 WeakPolarHBondContact O-CA 3.39Å; V512-A565 PolarHBondContact N-O 2.81Å; V512-A565 PolarHBondContact O-N 2.82Å; V512-I592 HydrophobicContact CG1-CD1 3.82Å; V512-I592 HydrophobicContact CG2-CG2 3.79Å |
| 513 | H | 93.8 | Very high | 90.9 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 39% | 0.389 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.7 | 170.5 | -177 | -87.1 | 0 | 0 | 0 | 109.7 | S478 R479 G563 L564 | S478-H513 CarbonylContact C-O 3.58Å; S478-H513 VanDerWaalsContact CA-O 3.31Å; S478-H513 WeakPolarHBondContact CA-O 3.36Å; R479-H513 HydrophobicContact CB-CB 4.33Å; R479-H513 PolarHBondContact N-O 3.49Å; R479-H513 PolarHBondContact O-N 3.09Å; H513-G563 CarbonylContact C-O 3.53Å; H513-G563 WeakPolarHBondContact CA-O 3.47Å; H513-G563 PolarHBondContact CD2-O 3.44Å; H513-G563 VanDerWaalsContact CD2-O 3.25Å; H513-L564 HydrophobicContact CB-CD1 4.35Å |
| 514 | V | 91.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.5 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | I476 R477 V512 I519 L525 V558 G563 | I476-V514 HydrophobicContact CG2-CG1 3.33Å; R477-V514 WeakPolarHBondContact O-CA 3.42Å; V512-V514 HydrophobicContact CG1-CG2 4.12Å; V514-I519 HydrophobicContact CG1-CD1 3.88Å; V514-L525 HydrophobicContact CG2-CD1 3.93Å; V514-V558 HydrophobicContact CB-CB 4.43Å; V514-V558 HydrophobicContact CB-CG1 4Å; V514-V558 HydrophobicContact CG2-CB 4.24Å; V514-V558 HydrophobicContact CG2-CG1 4.18Å; V514-V558 HydrophobicContact CG2-CG2 4.03Å; V514-G563 PolarHBondContact N-O 3.32Å; V514-G563 WeakPolarHBondContact O-CA 3.15Å |
| 515 | S | 89.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.8 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | R477 | R477-S515 WeakPolarHBondContact CA-O 3.14Å; R477-S515 PolarHBondContact N-O 2.89Å; R477-S515 PolarHBondContact O-N 2.96Å; R477-S515 PolarHBondContact O-OG 3.11Å |
| 516 | G | 86.7 | Confident | 90.9 | Very high | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | 161.8 | 157 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 517 | H | 87.4 | Confident | 90.9 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 130 | 177.3 | -167.9 | 74.8 | 0 | 0 | 0 | 110.1 | M390 Y454 I519 | M390-H517 HydrophobicContact CB-CB 3.83Å; M390-H517 HydrophobicContact CG-CB 3.9Å; Y454-H517 WeakPolarHBondContact CE2-O 3.22Å; Y454-H517 PolarHBondContact OH-N 3.1Å; Y454-H517 PolarHBondContact OH-O 3.3Å; H517-I519 PolarHBondContact O-N 3.12Å |
| 518 | R | 84.6 | Confident | 91 | Very high | 148 Ų | 148 | 48 Ų | 48 | 56% | 0.558 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 28.9 | 178.7 | -64 | -172.1 | -155 | -162.5 | 6.4 | 116.5 | G451 N452 | G451-R518 PolarHBondContact O-NH1 3.19Å; G451-R518 VanDerWaalsContact O-NH1 3.11Å; N452-R518 WeakPolarHBondContact O-CD 3.45Å |
| 519 | I | 84.9 | Confident | 91 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | trans | -64.9 | 159.9 | 174.1 | 63.9 | 171.5 | 0 | 0 | 0 | 111.9 | I476 V514 H517 R560 | I476-I519 HydrophobicContact CG1-CB 4.28Å; I476-I519 HydrophobicContact CG1-CG2 3.8Å; V514-I519 HydrophobicContact CG1-CD1 3.88Å; H517-I519 PolarHBondContact O-N 3.12Å; I519-R560 HydrophobicContact CD1-CG 4.18Å; I519-R560 HydrophobicContact CG1-CG 3.91Å; I519-R560 WeakPolarHBondContact O-CD 3.46Å; I519-R560 PolarHBondContact O-NH1 2.82Å | ||
| 520 | P | 84.8 | Confident | 90.9 | Very high | 40 Ų | 40 | 44 Ų | 44 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | trans | -51.7 | 152.4 | 177 | -27.6 | 35.5 | 0 | 0 | 0 | 113.3 | Q522 Q599 | P520-Q522 PolarHBondContact O-N 2.82Å; P520-Q599 HydrophobicContact CG-CB 4.45Å | ||
| 521 | Q | 86.9 | Confident | 90.9 | Very high | 156 Ų | 156 | 43.9 Ų | 43.9 | 73% | 0.729 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -60.9 | -33.2 | 178.9 | -75.7 | -164.4 | -1.8 | 0 | 0 | 113 | R560 | Q521-R560 PolarHBondContact O-N 2.86Š|
| 522 | Q | 88.3 | Confident | 90.8 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.3 | 176.4 | -172.6 | -179.9 | 56 | 0 | 0 | 109.4 | P520 F557 V558 Q599 | P520-Q522 PolarHBondContact O-N 2.82Å; Q522-F557 HydrophobicContact CG-CB 4.23Å; Q522-F557 HydrophobicContact CG-CD1 4.36Å; Q522-V558 WeakPolarHBondContact CA-O 3.37Å; Q522-Q599 PolarHBondContact O-NE2 2.97Å |
| 523 | T | 89.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.9 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | I476 L525 F557 V558 L594 | I476-T523 HydrophobicContact CD1-CG2 3.92Å; I476-T523 HydrophobicContact CG2-CG2 4.35Å; T523-L525 HydrophobicContact CG2-CD2 3.92Å; T523-L525 HydrophobicContact CG2-CG 4.06Å; T523-F557 WeakPolarHBondContact O-CA 3.34Å; T523-V558 PolarHBondContact N-O 2.78Å; T523-V558 PolarHBondContact O-N 2.94Å; T523-L594 HydrophobicContact CG2-CD2 4.05Å |
| 524 | A | 90.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F557 L595 | A524-F557 HydrophobicContact CB-CD1 3.97Å; A524-F557 HydrophobicContact CB-CE1 3.84Å; A524-L595 HydrophobicContact CB-CB 4.09Å; A524-L595 HydrophobicContact CB-CD1 4.1Å; A524-L595 PolarHBondContact O-N 3.44Å |
| 525 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.2 | -178.1 | -59 | 172.3 | 0 | 0 | 0 | 110.7 | V512 V514 T523 L556 V558 I592 S593 L594 L595 L603 | V512-L525 HydrophobicContact CG1-CD1 3.67Å; V514-L525 HydrophobicContact CG2-CD1 3.93Å; T523-L525 HydrophobicContact CG2-CD2 3.92Å; T523-L525 HydrophobicContact CG2-CG 4.06Å; L525-L556 HydrophobicContact CB-CB 4.23Å; L525-L556 PolarHBondContact N-O 3.38Å; L525-L556 PolarHBondContact O-N 2.89Å; L525-V558 HydrophobicContact CD1-CG2 4.09Å; L525-I592 HydrophobicContact CD1-CD1 4.16Å; L525-S593 CarbonylContact C-O 3.15Å; L525-S593 VanDerWaalsContact CA-O 3.26Å; L525-S593 WeakPolarHBondContact CA-O 3.44Å; L525-L594 HydrophobicContact CD2-CD2 3.77Å; L525-L594 HydrophobicContact CD2-CG 4.3Å; L525-L595 WeakPolarHBondContact O-CD1 3.39Å; L525-L603 HydrophobicContact CD2-CD1 4.17Å; L525-L603 HydrophobicContact CD2-CD2 4.34Å |
| 526 | R | 93.8 | Very high | 89.4 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 42% | 0.419 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.2 | 164.4 | 170.1 | 172.7 | -82.2 | -177.4 | -3.6 | 107.2 | E528 M554 I592 S593 L595 | R526-E528 HydrophobicContact CG-CG 4.29Å; R526-M554 WeakPolarHBondContact CA-O 3.36Å; R526-I592 CarbonylContact O-C 3.55Å; R526-I592 VanDerWaalsContact O-CA 3.29Å; R526-I592 WeakPolarHBondContact O-CA 3.24Å; R526-S593 PolarHBondContact N-O 3.28Å; R526-S593 PolarHBondContact O-N 3.28Å; R526-L595 HydrophobicContact CB-CD2 4.16Å; R526-L595 HydrophobicContact CB-CG 3.92Å |
| 527 | G | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S553 M554 E591 | G527-S553 CarbonylContact O-C 3.44Å; G527-S553 WeakPolarHBondContact O-CA 3.43Å; G527-M554 PolarHBondContact N-O 3.03Å; G527-M554 PolarHBondContact O-N 2.91Å; G527-E591 CarbonylContact C-O 3.44Å; G527-E591 WeakPolarHBondContact CA-O 3.16Å |
| 528 | E | 95.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.6 | 173.9 | -59.3 | -166.5 | 161.5 | 0 | 0 | 109.2 | R526 H530 A590 E591 | R526-E528 HydrophobicContact CG-CG 4.29Å; E528-H530 IonicContact OE2-NE2 2.79Å; E528-A590 CarbonylContact O-C 3.54Å; E528-A590 VanDerWaalsContact O-CA 3.27Å; E528-A590 WeakPolarHBondContact O-CA 3.14Å; E528-E591 PolarHBondContact N-O 3.45Å; E528-E591 PolarHBondContact O-N 2.77Å |
| 529 | L | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.5 | 179.3 | -179.7 | 72.1 | 0 | 0 | 0 | 109 | V508 L544 Q551 T552 M554 H569 I588 T589 A590 | V508-L529 HydrophobicContact CB-CD2 4.47Å; V508-L529 HydrophobicContact CG1-CD1 4.02Å; V508-L529 HydrophobicContact CG1-CD2 3.93Å; L529-L544 HydrophobicContact CD2-CD2 4.5Å; L529-Q551 CarbonylContact O-C 3.45Å; L529-Q551 WeakPolarHBondContact O-CA 3.32Å; L529-T552 HydrophobicContact CB-CG2 4.07Å; L529-T552 HydrophobicContact CD2-CG2 4.44Å; L529-T552 PolarHBondContact N-O 3.48Å; L529-T552 PolarHBondContact O-N 2.86Å; L529-M554 HydrophobicContact CB-CE 4.23Å; L529-H569 HydrophobicContact CD2-CB 4.23Å; L529-I588 HydrophobicContact CD1-CG2 3.75Å; L529-T589 WeakPolarHBondContact CA-O 3.33Å; L529-A590 HydrophobicContact CD1-CB 4.19Å |
| 530 | H | 95.2 | Very high | 88.9 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.3 | 179.3 | -54.2 | -88.9 | 0 | 0 | 0 | 110.5 | E528 T533 Q551 I588 T589 | E528-H530 IonicContact OE2-NE2 2.79Å; H530-T533 HydrophobicContact CB-CG2 3.38Å; H530-Q551 PolarHBondContact CE1-OE1 3.04Å; H530-Q551 PolarHBondContact ND1-OE1 3.43Å; H530-Q551 VanDerWaalsContact ND1-OE1 3.16Å; H530-I588 WeakPolarHBondContact O-CA 3.15Å; H530-T589 PolarHBondContact N-O 3.11Å; H530-T589 PolarHBondContact O-N 3.37Å |
| 531 | L | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.1 | 178.7 | -56.8 | -179.1 | 0 | 0 | 0 | 111.1 | V508 T533 R540 L544 P550 A571 I588 | V508-L531 HydrophobicContact CG2-CD2 4.41Å; L531-T533 VanDerWaalsContact C-N 3.34Å; L531-T533 PolarHBondContact O-N 2.76Å; L531-R540 WeakPolarHBondContact O-CD 3.48Å; L531-R540 PolarHBondContact O-NE 2.86Å; L531-L544 HydrophobicContact CD1-CD2 4.02Å; L531-L544 HydrophobicContact CD1-CG 3.76Å; L531-P550 WeakPolarHBondContact CB-O 3.24Å; L531-P550 PolarHBondContact N-O 2.85Å; L531-A571 HydrophobicContact CD1-CB 3.74Å; L531-A571 HydrophobicContact CD2-CB 4.39Å; L531-I588 HydrophobicContact CD2-CD1 4.05Å; L531-I588 HydrophobicContact CD2-CG1 3.88Å; L531-I588 HydrophobicContact CD2-CG2 3.95Å |
| 532 | D | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 52.2 | 39.8 | 177.9 | -159.5 | 15.9 | 0 | 0 | 0 | 114.9 | M534 K535 R540 R541 I586 F587 | D532-M534 PolarHBondContact O-N 2.69Å; D532-K535 PolarHBondContact O-N 3.07Å; D532-K535 WeakPolarHBondContact OD2-CG 3.25Å; D532-R540 WeakPolarHBondContact O-CD 3.43Å; D532-R540 PolarHBondContact O-NH1 3.02Å; D532-R541 IonicContact OD1-CZ 3.35Å; D532-R541 IonicContact OD1-NE 3.18Å; D532-R541 IonicContact OD1-NH2 3.96Å; D532-R541 PolarHBondContact OD1-NH2 3.5Å; D532-R541 WeakPolarHBondContact OD2-CB 3.39Å; D532-R541 WeakPolarHBondContact OD2-CG 3.35Å; D532-R541 IonicContact OD2-CZ 2.95Å; D532-R541 PolarHBondContact OD2-N 3.14Å; D532-R541 IonicContact OD2-NE 3.92Å; D532-R541 PolarHBondContact OD2-NE 2.7Å; D532-R541 IonicContact OD2-NH2 2.73Å; D532-I586 HydrophobicContact CB-CG2 4Å; D532-F587 CarbonylContact C-O 3.59Å; D532-F587 WeakPolarHBondContact CA-O 3.42Å; D532-F587 PolarHBondContact N-O 3.01Å |
| 533 | T | 88.8 | Confident | 89.8 | Confident | 40 Ų | 40 | 46 Ų | 46 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -26.2 | -164 | 42.8 | 0 | 0 | 0 | 0 | 116.4 | H530 L531 K535 R540 F587 T589 | H530-T533 HydrophobicContact CB-CG2 3.38Å; L531-T533 VanDerWaalsContact C-N 3.34Å; L531-T533 PolarHBondContact O-N 2.76Å; T533-K535 VanDerWaalsContact C-N 3.34Å; T533-K535 PolarHBondContact O-N 2.77Å; T533-R540 PolarHBondContact O-NH1 3.49Å; T533-F587 PolarHBondContact N-O 2.9Å; T533-F587 VanDerWaalsContact OG1-CB 3.32Å; T533-F587 WeakPolarHBondContact OG1-CB 3.39Å; T533-F587 PolarHBondContact OG1-O 3.38Å; T533-T589 WeakPolarHBondContact CG2-OG1 3.32Å; T533-T589 PolarHBondContact OG1-OG1 2.89Å; T533-T589 VanDerWaalsContact OG1-OG1 3.06Å |
| 534 | M | 85.6 | Confident | 90 | Very high | 141 Ų | 141 | 45.9 Ų | 45.9 | 70% | 0.695 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.1 | 177.6 | -66.9 | -62.1 | -73.4 | 0 | 0 | 115 | D532 F587 | D532-M534 PolarHBondContact O-N 2.69Å; M534-F587 HydrophobicContact CB-CD2 3.91Å; M534-F587 HydrophobicContact CB-CE2 4.45Å; M534-F587 HydrophobicContact CG-CB 4.21Å; M534-F587 HydrophobicContact CG-CD2 3.24Å; M534-F587 HydrophobicContact CG-CE2 3.69Å; M534-F587 HydrophobicContact CG-CG 3.8Å |
| 535 | K | 86 | Confident | 90.1 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 22% | 0.222 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.5 | 164 | 175.5 | -63.7 | -55 | -176 | -168.9 | 0 | 112.9 | D532 T533 A539 R540 D581 S584 | D532-K535 PolarHBondContact O-N 3.07Å; D532-K535 WeakPolarHBondContact OD2-CG 3.25Å; T533-K535 VanDerWaalsContact C-N 3.34Å; T533-K535 PolarHBondContact O-N 2.77Å; K535-A539 HydrophobicContact CB-CB 4.46Å; K535-R540 VanDerWaalsContact O-CZ 3.28Å; K535-R540 PolarHBondContact O-NH1 2.76Å; K535-D581 WeakPolarHBondContact CE-OD2 3.49Å; K535-D581 IonicContact NZ-OD2 3.81Å; K535-D581 PolarHBondContact NZ-OD2 3.3Å; K535-S584 VanDerWaalsContact CE-OG 3.25Å; K535-S584 WeakPolarHBondContact CE-OG 3.34Å; K535-S584 PolarHBondContact NZ-OG 3.06Å; K535-S584 VanDerWaalsContact NZ-OG 3.13Å |
| 536 | Q | 81.8 | Confident | 90 | Very high | 148 Ų | 148 | 52.7 Ų | 52.7 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | trans | -71 | 151.3 | 168.5 | -68.4 | -65.2 | -24.9 | 0 | 0 | 109.6 | L538 A539 R540 | Q536-L538 PolarHBondContact O-N 3.13Å; Q536-L538 VanDerWaalsContact O-N 3.07Å; Q536-A539 HydrophobicContact CB-CB 4.36Å; Q536-A539 CarbonylContact O-C 3.56Å; Q536-A539 WeakPolarHBondContact O-CA 3.24Å; Q536-A539 PolarHBondContact O-N 2.92Å; Q536-R540 PolarHBondContact O-N 2.9Å | ||
| 537 | P | 79 | Confident | 89.9 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -51.1 | -36.6 | -176.3 | -29.9 | 35.4 | 0 | 0 | 0 | 115.2 | R540 | P537-R540 WeakPolarHBondContact O-CG 3.46Š|
| 538 | L | 79.1 | Confident | 89.8 | Confident | 168 Ų | 168 | 53.7 Ų | 53.7 | 88% | 0.88 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -79.3 | -20.2 | 178 | -68 | 167.8 | 0 | 0 | 0 | 113.8 | Q536 R574 | Q536-L538 PolarHBondContact O-N 3.13Å; Q536-L538 VanDerWaalsContact O-N 3.07Å; L538-R574 PolarHBondContact O-NH1 3.28Å |
| 539 | A | 84.3 | Confident | 89.6 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -100.3 | 7.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K535 Q536 R541 | K535-A539 HydrophobicContact CB-CB 4.46Å; Q536-A539 HydrophobicContact CB-CB 4.36Å; Q536-A539 CarbonylContact O-C 3.56Å; Q536-A539 WeakPolarHBondContact O-CA 3.24Å; Q536-A539 PolarHBondContact O-N 2.92Å; A539-R541 PolarHBondContact O-N 2.77Å |
| 540 | R | 89.6 | Confident | 89.5 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | trans | -59.3 | 124.3 | 174.6 | -62.1 | -73.4 | -162.6 | -141 | -2.7 | 109 | L531 D532 T533 K535 Q536 P537 P550 R574 | L531-R540 WeakPolarHBondContact O-CD 3.48Å; L531-R540 PolarHBondContact O-NE 2.86Å; D532-R540 WeakPolarHBondContact O-CD 3.43Å; D532-R540 PolarHBondContact O-NH1 3.02Å; T533-R540 PolarHBondContact O-NH1 3.49Å; K535-R540 VanDerWaalsContact O-CZ 3.28Å; K535-R540 PolarHBondContact O-NH1 2.76Å; Q536-R540 PolarHBondContact O-N 2.9Å; P537-R540 WeakPolarHBondContact O-CG 3.46Å; R540-P550 HydrophobicContact CB-CB 4.03Å; R540-P550 HydrophobicContact CG-CB 3.74Å; R540-P550 HydrophobicContact CG-CG 4.16Å; R540-R574 WeakPolarHBondContact O-CD 3.33Å; R540-R574 PolarHBondContact O-NH1 2.8Å; R540-R574 VanDerWaalsContact O-NH1 3.07Å | ||
| 541 | R | 92.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 60 Ų | 60 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -86.2 | -25.1 | -177 | -61.7 | 170.5 | -70.5 | 172.6 | -0.2 | 112.4 | D532 A539 L573 R574 V579 D581 S584 P585 I586 | D532-R541 IonicContact OD1-CZ 3.35Å; D532-R541 IonicContact OD1-NE 3.18Å; D532-R541 IonicContact OD1-NH2 3.96Å; D532-R541 PolarHBondContact OD1-NH2 3.5Å; D532-R541 WeakPolarHBondContact OD2-CB 3.39Å; D532-R541 WeakPolarHBondContact OD2-CG 3.35Å; D532-R541 IonicContact OD2-CZ 2.95Å; D532-R541 PolarHBondContact OD2-N 3.14Å; D532-R541 IonicContact OD2-NE 3.92Å; D532-R541 PolarHBondContact OD2-NE 2.7Å; D532-R541 IonicContact OD2-NH2 2.73Å; A539-R541 PolarHBondContact O-N 2.77Å; R541-L573 HydrophobicContact CB-CD1 4.22Å; R541-R574 WeakPolarHBondContact O-CB 3.21Å; R541-R574 VanDerWaalsContact O-CG 3.32Å; R541-R574 WeakPolarHBondContact O-CG 3.27Å; R541-R574 PolarHBondContact O-N 3.21Å; R541-V579 HydrophobicContact CB-CG1 4.31Å; R541-V579 HydrophobicContact CB-CG2 4.05Å; R541-V579 HydrophobicContact CG-CG1 3.86Å; R541-V579 HydrophobicContact CG-CG2 4.12Å; R541-D581 WeakPolarHBondContact CD-O 3.46Å; R541-D581 PolarHBondContact NH1-O 3.39Å; R541-S584 PolarHBondContact NH1-O 2.81Å; R541-S584 PolarHBondContact NH1-OG 3.1Å; R541-S584 PolarHBondContact NH2-O 3.35Å; R541-S584 PolarHBondContact NH2-OG 3.18Å; R541-P585 PolarHBondContact NH2-O 2.97Å; R541-I586 VanDerWaalsContact NH2-CG1 3.25Å |
| 542 | T | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | L489 F506 Y572 L573 I586 | L489-T542 HydrophobicContact CD1-CG2 4.18Å; F506-T542 HydrophobicContact CE1-CG2 3.89Å; F506-T542 HydrophobicContact CZ-CG2 4.08Å; T542-Y572 CarbonylContact C-O 3.55Å; T542-Y572 VanDerWaalsContact CA-O 3.22Å; T542-Y572 WeakPolarHBondContact CA-O 3.49Å; T542-L573 HydrophobicContact CG2-CD1 4.02Å; T542-I586 HydrophobicContact CG2-CD1 3.93Å; T542-I586 HydrophobicContact CG2-CG2 3.9Å |
| 543 | L | 93.6 | Very high | 89.5 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.3 | 178.9 | -61 | 174.7 | 0 | 0 | 0 | 110.1 | N548 P550 A571 Y572 R574 | L543-N548 WeakPolarHBondContact CD1-OD1 3.48Å; L543-P550 HydrophobicContact CD2-CB 3.94Å; L543-P550 HydrophobicContact CD2-CG 4.39Å; L543-A571 CarbonylContact O-C 3.32Å; L543-A571 VanDerWaalsContact O-CA 3.29Å; L543-A571 WeakPolarHBondContact O-CA 3.39Å; L543-Y572 HydrophobicContact CB-CD1 4.34Å; L543-Y572 HydrophobicContact CB-CE1 3.73Å; L543-Y572 PolarHBondContact N-O 3.48Å; L543-Y572 VanDerWaalsContact O-CD1 3.27Å; L543-Y572 WeakPolarHBondContact O-CD1 3.13Å; L543-Y572 PolarHBondContact O-N 2.86Å; L543-R574 HydrophobicContact CD1-CG 4.15Å; L543-R574 HydrophobicContact CG-CG 4.39Å |
| 544 | L | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135 | 172.1 | -70.6 | 164.6 | 0 | 0 | 0 | 110 | L529 L531 S546 N547 N548 Q549 T552 H569 | L529-L544 HydrophobicContact CD2-CD2 4.5Å; L531-L544 HydrophobicContact CD1-CD2 4.02Å; L531-L544 HydrophobicContact CD1-CG 3.76Å; L544-S546 VanDerWaalsContact C-N 3.27Å; L544-S546 PolarHBondContact O-N 2.87Å; L544-N547 VanDerWaalsContact CB-OD1 3.31Å; L544-N547 WeakPolarHBondContact CB-OD1 3.11Å; L544-N548 VanDerWaalsContact O-CA 3.22Å; L544-N548 WeakPolarHBondContact O-CA 3.48Å; L544-N548 PolarHBondContact O-N 2.8Å; L544-Q549 WeakPolarHBondContact CB-O 3.44Å; L544-Q549 PolarHBondContact N-O 2.78Å; L544-T552 HydrophobicContact CD1-CG2 3.57Å; L544-H569 HydrophobicContact CD2-CB 3.92Å |
| 545 | L | 92.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28 | -178.3 | -170.4 | 66.6 | 0 | 0 | 0 | 112.4 | C496 H498 V503 T570 Y572 | C496-L545 HydrophobicContact CB-CD2 4.39Å; H498-L545 HydrophobicContact CB-CD1 3.92Å; V503-L545 HydrophobicContact CG2-CD1 4.5Å; L545-T570 HydrophobicContact CB-CG2 4.33Å; L545-T570 WeakPolarHBondContact CB-O 3.34Å; L545-T570 HydrophobicContact CD2-CG2 3.96Å; L545-T570 PolarHBondContact N-O 2.95Å; L545-Y572 HydrophobicContact CB-CD1 4.29Å; L545-Y572 HydrophobicContact CD1-CD1 3.91Å; L545-Y572 HydrophobicContact CD1-CE1 4.44Å; L545-Y572 HydrophobicContact CD1-CG 4.39Å |
| 546 | S | 90.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 70% | 0.699 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -43.2 | -175.3 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | L544 | L544-S546 VanDerWaalsContact C-N 3.27Å; L544-S546 PolarHBondContact O-N 2.87Å |
| 547 | N | 90.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -2.8 | -172.4 | 67.5 | 2.4 | 0 | 0 | 0 | 113.6 | L544 Q549 | L544-N547 VanDerWaalsContact CB-OD1 3.31Å; L544-N547 WeakPolarHBondContact CB-OD1 3.11Å; N547-Q549 PolarHBondContact O-N 3.06Å; N547-Q549 WeakPolarHBondContact OD1-CB 2.91Å; N547-Q549 PolarHBondContact OD1-N 2.81Å |
| 548 | N | 90.9 | Very high | 91.3 | Very high | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 55.8 | 33 | -176.4 | -162.2 | 47.6 | 0 | 0 | 0 | 114 | L543 L544 Y572 | L543-N548 WeakPolarHBondContact CD1-OD1 3.48Å; L544-N548 VanDerWaalsContact O-CA 3.22Å; L544-N548 WeakPolarHBondContact O-CA 3.48Å; L544-N548 PolarHBondContact O-N 2.8Å; N548-Y572 PolarHBondContact OD1-OH 3.23Å |
| 549 | Q | 92.7 | Very high | 91.9 | Very high | 104 Ų | 104 | 52.3 Ų | 52.3 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -115.1 | 154.7 | 176.4 | -65.5 | -64.1 | -35.6 | 0 | 0 | 110.6 | L544 N547 Q551 | L544-Q549 WeakPolarHBondContact CB-O 3.44Å; L544-Q549 PolarHBondContact N-O 2.78Å; N547-Q549 PolarHBondContact O-N 3.06Å; N547-Q549 WeakPolarHBondContact OD1-CB 2.91Å; N547-Q549 PolarHBondContact OD1-N 2.81Å; Q549-Q551 PolarHBondContact O-N 3.46Å |
| 550 | P | 92.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -79.9 | 1.1 | 175.4 | 33.7 | -35.8 | 0 | 0 | 0 | 112.8 | L531 R540 L543 | L531-P550 WeakPolarHBondContact CB-O 3.24Å; L531-P550 PolarHBondContact N-O 2.85Å; R540-P550 HydrophobicContact CB-CB 4.03Å; R540-P550 HydrophobicContact CG-CB 3.74Å; R540-P550 HydrophobicContact CG-CG 4.16Å; L543-P550 HydrophobicContact CD2-CB 3.94Å; L543-P550 HydrophobicContact CD2-CG 4.39Å |
| 551 | Q | 93.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 63.1 Ų | 63.1 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.1 | -179.4 | 66.8 | -174.2 | 1.7 | 0 | 0 | 112.3 | L529 H530 Q549 | L529-Q551 CarbonylContact O-C 3.45Å; L529-Q551 WeakPolarHBondContact O-CA 3.32Å; H530-Q551 PolarHBondContact CE1-OE1 3.04Å; H530-Q551 PolarHBondContact ND1-OE1 3.43Å; H530-Q551 VanDerWaalsContact ND1-OE1 3.16Å; Q549-Q551 PolarHBondContact O-N 3.46Å |
| 552 | T | 94.8 | Very high | 91.4 | Very high | 33 Ų | 33 | 67.4 Ų | 67.4 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 150.6 | 171 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | L529 L544 M554 | L529-T552 HydrophobicContact CB-CG2 4.07Å; L529-T552 HydrophobicContact CD2-CG2 4.44Å; L529-T552 PolarHBondContact N-O 3.48Å; L529-T552 PolarHBondContact O-N 2.86Å; L544-T552 HydrophobicContact CD1-CG2 3.57Å; T552-M554 HydrophobicContact CG2-SD 4.14Å |
| 553 | S | 94.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.7 | 167.9 | 59.8 | 0 | 0 | 0 | 0 | 110 | G527 | G527-S553 CarbonylContact O-C 3.44Å; G527-S553 WeakPolarHBondContact O-CA 3.43Å |
| 554 | M | 92.8 | Very high | 91.2 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 14% | 0.143 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 158.8 | 178.9 | 53.7 | -88 | 177.8 | 0 | 0 | 111.3 | M510 R526 G527 L529 T552 L556 | M510-M554 HydrophobicContact CE-CE 4.18Å; M510-M554 HydrophobicContact SD-CE 3.15Å; M510-M554 WeakPolarHBondContact SD-CE 3.32Å; R526-M554 WeakPolarHBondContact CA-O 3.36Å; G527-M554 PolarHBondContact N-O 3.03Å; G527-M554 PolarHBondContact O-N 2.91Å; L529-M554 HydrophobicContact CB-CE 4.23Å; T552-M554 HydrophobicContact CG2-SD 4.14Å; M554-L556 HydrophobicContact CG-CD2 4.35Å; M554-L556 HydrophobicContact CG-CG 4.41Å |
| 555 | E | 93.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 71.5 Ų | 71.5 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.2 | 170.8 | -57.3 | -173 | 171.2 | 0 | 0 | 109.5 | F557 L595 | E555-F557 HydrophobicContact CB-CE2 4.06Å; E555-F557 HydrophobicContact CB-CZ 4.35Å; E555-L595 HydrophobicContact CB-CD1 3.77Å; E555-L595 HydrophobicContact CG-CD1 3.76Å; E555-L595 HydrophobicContact CG-CD2 4.15Å |
| 556 | L | 91.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.8 | -178.8 | -62.8 | 171.1 | 0 | 0 | 0 | 108.3 | M510 V512 L525 M554 T567 | M510-L556 HydrophobicContact CE-CD1 3.95Å; V512-L556 HydrophobicContact CG2-CD1 3.66Å; L525-L556 HydrophobicContact CB-CB 4.23Å; L525-L556 PolarHBondContact N-O 3.38Å; L525-L556 PolarHBondContact O-N 2.89Å; M554-L556 HydrophobicContact CG-CD2 4.35Å; M554-L556 HydrophobicContact CG-CG 4.41Å; L556-T567 HydrophobicContact CD2-CG2 3.41Å; L556-T567 VanDerWaalsContact CD2-CG2 3.41Å |
| 557 | F | 91.3 | Very high | 91.5 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.9 | 175.5 | -61 | -82.7 | 0 | 0 | 0 | 108.8 | Q522 T523 A524 E555 | Q522-F557 HydrophobicContact CG-CB 4.23Å; Q522-F557 HydrophobicContact CG-CD1 4.36Å; T523-F557 WeakPolarHBondContact O-CA 3.34Å; A524-F557 HydrophobicContact CB-CD1 3.97Å; A524-F557 HydrophobicContact CB-CE1 3.84Å; E555-F557 HydrophobicContact CB-CE2 4.06Å; E555-F557 HydrophobicContact CB-CZ 4.35Å |
| 558 | V | 90.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.3 | 179.6 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | V514 Q522 T523 L525 A565 | V514-V558 HydrophobicContact CB-CB 4.43Å; V514-V558 HydrophobicContact CB-CG1 4Å; V514-V558 HydrophobicContact CG2-CB 4.24Å; V514-V558 HydrophobicContact CG2-CG1 4.18Å; V514-V558 HydrophobicContact CG2-CG2 4.03Å; Q522-V558 WeakPolarHBondContact CA-O 3.37Å; T523-V558 PolarHBondContact N-O 2.78Å; T523-V558 PolarHBondContact O-N 2.94Å; L525-V558 HydrophobicContact CD1-CG2 4.09Å; V558-A565 HydrophobicContact CG2-CB 3.83Å |
| 559 | E | 90.7 | Very high | 91.9 | Very high | 112 Ų | 112 | 69.2 Ų | 69.2 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.1 | 173.4 | -67.1 | -173.6 | 178.9 | 0 | 0 | 110.5 | Q561 V562 G563 | E559-Q561 PolarHBondContact O-N 2.72Å; E559-Q561 VanDerWaalsContact O-N 3.12Å; E559-V562 PolarHBondContact O-N 2.83Å; E559-V562 VanDerWaalsContact O-N 3.13Å; E559-G563 PolarHBondContact O-N 2.86Å |
| 560 | R | 84.9 | Confident | 92 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31 | -175.8 | -172.8 | 177.5 | 73.6 | -179.2 | 5.6 | 114.2 | I519 Q521 | I519-R560 HydrophobicContact CD1-CG 4.18Å; I519-R560 HydrophobicContact CG1-CG 3.91Å; I519-R560 WeakPolarHBondContact O-CD 3.46Å; I519-R560 PolarHBondContact O-NH1 2.82Å; Q521-R560 PolarHBondContact O-N 2.86Å |
| 561 | Q | 83.6 | Confident | 92.2 | Very high | 191 Ų | 191 | 66.3 Ų | 66.3 | 89% | 0.893 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -36.6 | -179.3 | -65 | -170.2 | -2.4 | 0 | 0 | 112.8 | E559 | E559-Q561 PolarHBondContact O-N 2.72Å; E559-Q561 VanDerWaalsContact O-N 3.12Å |
| 562 | V | 87.4 | Confident | 92.2 | Very high | 98 Ų | 98 | 62 Ų | 62 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -37.2 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | E559 L564 | E559-V562 PolarHBondContact O-N 2.83Å; E559-V562 VanDerWaalsContact O-N 3.13Å; V562-L564 HydrophobicContact CG1-CB 4.34Å; V562-L564 PolarHBondContact O-N 2.9Å; V562-L564 VanDerWaalsContact O-N 3.13Å |
| 563 | G | 88.1 | Confident | 92.1 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | trans | 66.7 | 8.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H513 V514 E559 | H513-G563 CarbonylContact C-O 3.53Å; H513-G563 WeakPolarHBondContact CA-O 3.47Å; H513-G563 PolarHBondContact CD2-O 3.44Å; H513-G563 VanDerWaalsContact CD2-O 3.25Å; V514-G563 PolarHBondContact N-O 3.32Å; V514-G563 WeakPolarHBondContact O-CA 3.15Å; E559-G563 PolarHBondContact O-N 2.86Å | ||
| 564 | L | 93.7 | Very high | 91.9 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129.4 | -174.1 | -178.2 | 68.2 | 0 | 0 | 0 | 111.4 | C511 V512 H513 V562 | C511-L564 HydrophobicContact CB-CD1 4.11Å; V512-L564 WeakPolarHBondContact O-CA 3.39Å; H513-L564 HydrophobicContact CB-CD1 4.35Å; V562-L564 HydrophobicContact CG1-CB 4.34Å; V562-L564 PolarHBondContact O-N 2.9Å; V562-L564 VanDerWaalsContact O-N 3.13Å |
| 565 | A | 94.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | C511 V512 V558 | C511-A565 CarbonylContact C-O 3.55Å; C511-A565 WeakPolarHBondContact CA-O 3.02Å; V512-A565 PolarHBondContact N-O 2.81Å; V512-A565 PolarHBondContact O-N 2.82Å; V558-A565 HydrophobicContact CG2-CB 3.83Å |
| 566 | C | 94.8 | Very high | 90.3 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 31% | 0.311 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.5 | M510 C511 | M510-C566 CarbonylContact O-C 3.41Å; M510-C566 WeakPolarHBondContact O-CA 3.37Å; C511-C566 HydrophobicContact CB-CB 4.16Å; C511-C566 WeakPolarHBondContact CB-SG 3.28Å; C511-C566 WeakPolarHBondContact SG-CB 3.42Å; C511-C566 CovalentContact SG-SG 2.04Å; C511-C566 PolarHBondContact SG-SG 2.86Å |
| 567 | T | 94.6 | Very high | 89.5 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.2 | 171 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | R509 M510 L556 H569 | R509-T567 WeakPolarHBondContact CA-O 3.42Å; M510-T567 PolarHBondContact N-O 2.92Å; M510-T567 PolarHBondContact O-N 2.88Å; L556-T567 HydrophobicContact CD2-CG2 3.41Å; L556-T567 VanDerWaalsContact CD2-CG2 3.41Å; T567-H569 PolarHBondContact OG1-NE2 3.41Å |
| 568 | N | 95.1 | Very high | 88.7 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.1 | 177.7 | -65.2 | -22 | 0 | 0 | 0 | 109 | R509 | R509-N568 WeakPolarHBondContact CB-OD1 3.47Å; R509-N568 WeakPolarHBondContact CD-OD1 2.97Å; R509-N568 WeakPolarHBondContact CG-OD1 2.88Å |
| 569 | H | 95 | Very high | 88.1 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.7 | 175.1 | -61.9 | -83.9 | 0 | 0 | 0 | 109.4 | V508 L529 L544 T567 | V508-H569 PolarHBondContact N-O 3.1Å; V508-H569 PolarHBondContact O-N 3.33Å; L529-H569 HydrophobicContact CD2-CB 4.23Å; L544-H569 HydrophobicContact CD2-CB 3.92Å; T567-H569 PolarHBondContact OG1-NE2 3.41Å |
| 570 | T | 95.4 | Very high | 87.4 | Confident | 64 Ų | 64 | 76 Ų | 76 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.9 | 174.1 | -51 | 0 | 0 | 0 | 0 | 108.7 | C505 L545 | C505-T570 HydrophobicContact CB-CG2 4.24Å; L545-T570 HydrophobicContact CB-CG2 4.33Å; L545-T570 WeakPolarHBondContact CB-O 3.34Å; L545-T570 HydrophobicContact CD2-CG2 3.96Å; L545-T570 PolarHBondContact N-O 2.95Å |
| 571 | A | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 158.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | C505 F506 V508 L531 L543 | C505-A571 CarbonylContact C-O 3.56Å; C505-A571 WeakPolarHBondContact CA-O 3.34Å; C505-A571 WeakPolarHBondContact CB-O 3.37Å; F506-A571 HydrophobicContact CD1-CB 4.22Å; F506-A571 HydrophobicContact CD2-CB 4.45Å; F506-A571 HydrophobicContact CE1-CB 3.64Å; F506-A571 HydrophobicContact CE2-CB 3.89Å; F506-A571 HydrophobicContact CZ-CB 3.46Å; F506-A571 VanDerWaalsContact CZ-CB 3.46Å; F506-A571 PolarHBondContact N-O 2.7Å; F506-A571 PolarHBondContact O-N 3.38Å; V508-A571 HydrophobicContact CG2-CB 4.02Å; L531-A571 HydrophobicContact CD1-CB 3.74Å; L531-A571 HydrophobicContact CD2-CB 4.39Å; L543-A571 CarbonylContact O-C 3.32Å; L543-A571 VanDerWaalsContact O-CA 3.29Å; L543-A571 WeakPolarHBondContact O-CA 3.39Å |
| 572 | Y | 94.1 | Very high | 86.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.4 | 178.4 | 79.7 | -84.5 | 0 | 0 | 0 | 111.9 | V503 S504 T542 L543 L545 N548 | V503-Y572 HydrophobicContact CB-CD2 3.8Å; V503-Y572 HydrophobicContact CB-CG 4.35Å; V503-Y572 HydrophobicContact CG1-CD2 3.85Å; V503-Y572 HydrophobicContact CG1-CE2 4.14Å; V503-Y572 HydrophobicContact CG2-CD2 3.96Å; V503-Y572 HydrophobicContact CG2-CG 4.06Å; S504-Y572 CarbonylContact O-C 3.57Å; S504-Y572 WeakPolarHBondContact O-CA 3.17Å; S504-Y572 WeakPolarHBondContact O-CB 3.3Å; T542-Y572 CarbonylContact C-O 3.55Å; T542-Y572 VanDerWaalsContact CA-O 3.22Å; T542-Y572 WeakPolarHBondContact CA-O 3.49Å; L543-Y572 HydrophobicContact CB-CD1 4.34Å; L543-Y572 HydrophobicContact CB-CE1 3.73Å; L543-Y572 PolarHBondContact N-O 3.48Å; L543-Y572 VanDerWaalsContact O-CD1 3.27Å; L543-Y572 WeakPolarHBondContact O-CD1 3.13Å; L543-Y572 PolarHBondContact O-N 2.86Å; L545-Y572 HydrophobicContact CB-CD1 4.29Å; L545-Y572 HydrophobicContact CD1-CD1 3.91Å; L545-Y572 HydrophobicContact CD1-CE1 4.44Å; L545-Y572 HydrophobicContact CD1-CG 4.39Å; N548-Y572 PolarHBondContact OD1-OH 3.23Å |
| 573 | L | 92.5 | Very high | 86.1 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.3 | 175.2 | -174.6 | 73.4 | 0 | 0 | 0 | 109.9 | L489 P491 S504 R541 T542 I586 L615 | L489-L573 HydrophobicContact CD1-CD1 4.41Å; P491-L573 HydrophobicContact CB-CD2 4.24Å; P491-L573 HydrophobicContact CG-CD2 4.02Å; S504-L573 PolarHBondContact O-N 3.2Å; R541-L573 HydrophobicContact CB-CD1 4.22Å; T542-L573 HydrophobicContact CG2-CD1 4.02Å; L573-I586 HydrophobicContact CD1-CD1 4.17Å; L573-L615 HydrophobicContact CD1-CD2 4.03Å; L573-L615 HydrophobicContact CD2-CD2 3.35Å; L573-L615 HydrophobicContact CG-CD2 4.34Å |
| 574 | R | 89.5 | Confident | 85.7 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 162.9 | 174.3 | -68.5 | 172.7 | 70.4 | -179.9 | 1.9 | 111.5 | L538 R540 R541 L543 E578 V579 | L538-R574 PolarHBondContact O-NH1 3.28Å; R540-R574 WeakPolarHBondContact O-CD 3.33Å; R540-R574 PolarHBondContact O-NH1 2.8Å; R540-R574 VanDerWaalsContact O-NH1 3.07Å; R541-R574 WeakPolarHBondContact O-CB 3.21Å; R541-R574 VanDerWaalsContact O-CG 3.32Å; R541-R574 WeakPolarHBondContact O-CG 3.27Å; R541-R574 PolarHBondContact O-N 3.21Å; L543-R574 HydrophobicContact CD1-CG 4.15Å; L543-R574 HydrophobicContact CG-CG 4.39Å; R574-E578 HydrophobicContact CB-CB 4.38Å; R574-E578 IonicContact CZ-OE2 3.37Å; R574-E578 IonicContact NE-OE2 3.54Å; R574-E578 PolarHBondContact NE-OE2 2.99Å; R574-E578 IonicContact NH2-OE2 2.64Å; R574-E578 PolarHBondContact NH2-OE2 3.47Å; R574-V579 HydrophobicContact CB-CG2 3.94Å |
| 575 | S | 81.7 | Confident | 85.2 | Confident | 52 Ų | 52 | 68 Ų | 68 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 152.1 | -177.8 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | E577 E578 V579 | S575-E577 PolarHBondContact O-N 3.17Å; S575-E578 PolarHBondContact O-N 3.29Å; S575-E578 VanDerWaalsContact OG-CD 3.27Å; S575-E578 VanDerWaalsContact OG-CG 3.28Å; S575-E578 WeakPolarHBondContact OG-CG 3.44Å; S575-E578 PolarHBondContact OG-OE1 3.47Å; S575-E578 VanDerWaalsContact OG-OE1 3.13Å; S575-V579 PolarHBondContact O-N 2.83Å; S575-V579 VanDerWaalsContact O-N 3.12Å |
| 576 | E | 72.1 | Confident | 84.9 | Confident | 98 Ų | 98 | 67.1 Ų | 67.1 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28 | -179.9 | -68.3 | -155.9 | 116 | 0 | 0 | 113.5 | P491 E578 V579 K582 | P491-E576 HydrophobicContact CB-CG 4.48Å; E576-E578 PolarHBondContact O-N 3.17Å; E576-V579 PolarHBondContact O-N 3.03Å; E576-K582 IonicContact OE1-NZ 3Å; E576-K582 PolarHBondContact OE1-NZ 2.78Å |
| 577 | E | 73.7 | Confident | 84.8 | Confident | 185 Ų | 185 | 67.5 Ų | 67.5 | 86% | 0.864 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.2 | 175.7 | -62.5 | 178.6 | -172.5 | 0 | 0 | 112.2 | S575 | S575-E577 PolarHBondContact O-N 3.17Š|
| 578 | E | 76.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 65.8 Ų | 65.8 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -22.5 | 179.9 | -66.7 | 172.2 | -146 | 0 | 0 | 112.6 | R574 S575 E576 | R574-E578 HydrophobicContact CB-CB 4.38Å; R574-E578 IonicContact CZ-OE2 3.37Å; R574-E578 IonicContact NE-OE2 3.54Å; R574-E578 PolarHBondContact NE-OE2 2.99Å; R574-E578 IonicContact NH2-OE2 2.64Å; R574-E578 PolarHBondContact NH2-OE2 3.47Å; S575-E578 PolarHBondContact O-N 3.29Å; S575-E578 VanDerWaalsContact OG-CD 3.27Å; S575-E578 VanDerWaalsContact OG-CG 3.28Å; S575-E578 WeakPolarHBondContact OG-CG 3.44Å; S575-E578 PolarHBondContact OG-OE1 3.47Å; S575-E578 VanDerWaalsContact OG-OE1 3.13Å; E576-E578 PolarHBondContact O-N 3.17Å |
| 579 | V | 77.5 | Confident | 84.7 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | trans | -102.9 | 88.8 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | R541 R574 S575 E576 | R541-V579 HydrophobicContact CB-CG1 4.31Å; R541-V579 HydrophobicContact CB-CG2 4.05Å; R541-V579 HydrophobicContact CG-CG1 3.86Å; R541-V579 HydrophobicContact CG-CG2 4.12Å; R574-V579 HydrophobicContact CB-CG2 3.94Å; S575-V579 PolarHBondContact O-N 2.83Å; S575-V579 VanDerWaalsContact O-N 3.12Å; E576-V579 PolarHBondContact O-N 3.03Å | ||
| 580 | R | 76.8 | Confident | 84.7 | Confident | 241 Ų | 241 | 59.1 Ų | 59.1 | 91% | 0.909 | 28% | 0.284 | S | S | * | . | trans | -73.6 | -36.1 | 174.2 | -67 | -173.2 | 179.9 | -175.5 | 0.1 | 113.3 | K582 | R580-K582 PolarHBondContact O-N 2.99Š| ||
| 581 | D | 77.8 | Confident | 84.7 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | trans | -92.7 | 98.9 | -177.7 | -173.1 | -23.4 | 0 | 0 | 0 | 110.5 | K535 R541 L583 S584 | K535-D581 WeakPolarHBondContact CE-OD2 3.49Å; K535-D581 IonicContact NZ-OD2 3.81Å; K535-D581 PolarHBondContact NZ-OD2 3.3Å; R541-D581 WeakPolarHBondContact CD-O 3.46Å; R541-D581 PolarHBondContact NH1-O 3.39Å; D581-L583 PolarHBondContact OD1-N 3.22Å; D581-S584 WeakPolarHBondContact OD1-CB 3.31Å; D581-S584 PolarHBondContact OD1-N 3.17Å; D581-S584 PolarHBondContact OD1-OG 2.99Å; D581-S584 PolarHBondContact OD2-OG 3.12Å | ||
| 582 | K | 75.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | trans | -96 | -14.4 | 178.3 | -55.4 | -171 | -178.7 | -171.6 | 0 | 113.4 | E576 R580 L615 L617 | E576-K582 IonicContact OE1-NZ 3Å; E576-K582 PolarHBondContact OE1-NZ 2.78Å; R580-K582 PolarHBondContact O-N 2.99Å; K582-L615 HydrophobicContact CB-CD1 4.19Å; K582-L617 HydrophobicContact CB-CD1 3.97Å; K582-L617 HydrophobicContact CB-CD2 4.19Å; K582-L617 HydrophobicContact CD-CD2 4.41Å; K582-L617 WeakPolarHBondContact O-CD1 3.32Å | ||
| 583 | L | 73.3 | Confident | 84.4 | Confident | 149 Ų | 149 | 62.6 Ų | 62.6 | 78% | 0.78 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -91.5 | -32.7 | -173 | -70.9 | 169.4 | 0 | 0 | 0 | 113.3 | D581 L617 | D581-L583 PolarHBondContact OD1-N 3.22Å; L583-L617 HydrophobicContact CD2-CD1 4.1Å |
| 584 | S | 80.2 | Confident | 84.2 | Confident | 27 Ų | 27 | 64 Ų | 64 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -71.8 | 141.3 | -177.8 | 58 | 0 | 0 | 0 | 0 | 112.1 | K535 R541 D581 | K535-S584 VanDerWaalsContact CE-OG 3.25Å; K535-S584 WeakPolarHBondContact CE-OG 3.34Å; K535-S584 PolarHBondContact NZ-OG 3.06Å; K535-S584 VanDerWaalsContact NZ-OG 3.13Å; R541-S584 PolarHBondContact NH1-O 2.81Å; R541-S584 PolarHBondContact NH1-OG 3.1Å; R541-S584 PolarHBondContact NH2-O 3.35Å; R541-S584 PolarHBondContact NH2-OG 3.18Å; D581-S584 WeakPolarHBondContact OD1-CB 3.31Å; D581-S584 PolarHBondContact OD1-N 3.17Å; D581-S584 PolarHBondContact OD1-OG 2.99Å; D581-S584 PolarHBondContact OD2-OG 3.12Å |
| 585 | P | 83.1 | Confident | 83.9 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | trans | -62.3 | 151.4 | 174 | -17.6 | 29.3 | 0 | 0 | 0 | 111.9 | R541 F587 Q612 | R541-P585 PolarHBondContact NH2-O 2.97Å; P585-F587 HydrophobicContact CB-CD2 4.34Å; P585-F587 HydrophobicContact CB-CE2 3.81Å; P585-F587 HydrophobicContact CB-CZ 4.14Å; P585-F587 HydrophobicContact CG-CE2 4.2Å; P585-F587 HydrophobicContact CG-CZ 4.39Å; P585-Q612 HydrophobicContact CB-CB 4.2Å | ||
| 586 | I | 89.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 105.4 | 174.5 | -64.4 | 161.2 | 0 | 0 | 0 | 107.4 | L489 D532 R541 T542 L573 I588 Q612 S613 L615 | L489-I586 HydrophobicContact CD1-CD1 3.57Å; D532-I586 HydrophobicContact CB-CG2 4Å; R541-I586 VanDerWaalsContact NH2-CG1 3.25Å; T542-I586 HydrophobicContact CG2-CD1 3.93Å; T542-I586 HydrophobicContact CG2-CG2 3.9Å; L573-I586 HydrophobicContact CD1-CD1 4.17Å; I586-I588 HydrophobicContact CG2-CG1 4.49Å; I586-Q612 CarbonylContact O-C 3.34Å; I586-Q612 WeakPolarHBondContact O-CA 3.45Å; I586-S613 PolarHBondContact N-O 2.84Å; I586-S613 PolarHBondContact O-N 3.16Å; I586-L615 HydrophobicContact CD1-CG 4.38Å |
| 587 | F | 90.9 | Very high | 82.6 | Confident | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.232 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.7 | -179.6 | -70.2 | -88.9 | 0 | 0 | 0 | 111.3 | D532 T533 M534 P585 T610 Q612 | D532-F587 CarbonylContact C-O 3.59Å; D532-F587 WeakPolarHBondContact CA-O 3.42Å; D532-F587 PolarHBondContact N-O 3.01Å; T533-F587 PolarHBondContact N-O 2.9Å; T533-F587 VanDerWaalsContact OG1-CB 3.32Å; T533-F587 WeakPolarHBondContact OG1-CB 3.39Å; T533-F587 PolarHBondContact OG1-O 3.38Å; M534-F587 HydrophobicContact CB-CD2 3.91Å; M534-F587 HydrophobicContact CB-CE2 4.45Å; M534-F587 HydrophobicContact CG-CB 4.21Å; M534-F587 HydrophobicContact CG-CD2 3.24Å; M534-F587 HydrophobicContact CG-CE2 3.69Å; M534-F587 HydrophobicContact CG-CG 3.8Å; P585-F587 HydrophobicContact CB-CD2 4.34Å; P585-F587 HydrophobicContact CB-CE2 3.81Å; P585-F587 HydrophobicContact CB-CZ 4.14Å; P585-F587 HydrophobicContact CG-CE2 4.2Å; P585-F587 HydrophobicContact CG-CZ 4.39Å; F587-T610 HydrophobicContact CB-CG2 4.26Å; F587-T610 HydrophobicContact CD1-CG2 3.7Å; F587-T610 HydrophobicContact CG-CG2 4.47Å; F587-Q612 HydrophobicContact CD1-CB 4.09Å; F587-Q612 HydrophobicContact CE1-CB 4.1Å |
| 588 | I | 93.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.5 | 177.2 | -63.6 | 171.1 | 0 | 0 | 0 | 107.3 | V482 L484 F506 V508 L529 H530 L531 I586 T610 V611 | V482-I588 HydrophobicContact CG1-CG2 4.07Å; L484-I588 HydrophobicContact CD1-CD1 3.88Å; L484-I588 HydrophobicContact CD2-CD1 3.53Å; L484-I588 HydrophobicContact CG-CD1 4.38Å; F506-I588 HydrophobicContact CE2-CD1 3.48Å; F506-I588 VanDerWaalsContact CE2-CD1 3.48Å; F506-I588 HydrophobicContact CZ-CD1 3.91Å; V508-I588 HydrophobicContact CG1-CG2 3.98Å; V508-I588 HydrophobicContact CG2-CD1 4.21Å; L529-I588 HydrophobicContact CD1-CG2 3.75Å; H530-I588 WeakPolarHBondContact O-CA 3.15Å; L531-I588 HydrophobicContact CD2-CD1 4.05Å; L531-I588 HydrophobicContact CD2-CG1 3.88Å; L531-I588 HydrophobicContact CD2-CG2 3.95Å; I586-I588 HydrophobicContact CG2-CG1 4.49Å; I588-T610 CarbonylContact O-C 3.57Å; I588-T610 WeakPolarHBondContact O-CA 3.43Å; I588-V611 PolarHBondContact N-O 3.07Å; I588-V611 PolarHBondContact O-N 2.94Å |
| 589 | T | 94.6 | Very high | 80.4 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.9 | -173.3 | -57.6 | 0 | 0 | 0 | 0 | 109 | L529 H530 T533 E591 H608 S609 T610 | L529-T589 WeakPolarHBondContact CA-O 3.33Å; H530-T589 PolarHBondContact N-O 3.11Å; H530-T589 PolarHBondContact O-N 3.37Å; T533-T589 WeakPolarHBondContact CG2-OG1 3.32Å; T533-T589 PolarHBondContact OG1-OG1 2.89Å; T533-T589 VanDerWaalsContact OG1-OG1 3.06Å; T589-E591 HydrophobicContact CG2-CG 4.16Å; T589-H608 WeakPolarHBondContact CG2-CD2 3.21Å; T589-S609 WeakPolarHBondContact CA-O 3.4Å; T589-T610 WeakPolarHBondContact CB-OG1 3.46Å; T589-T610 WeakPolarHBondContact CG2-OG1 3.39Å; T589-T610 PolarHBondContact OG1-OG1 2.96Å |
| 590 | A | 95.1 | Very high | 80 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | V480 V482 M510 E528 L529 H608 S609 | V480-A590 HydrophobicContact CG1-CB 3.92Å; V482-A590 HydrophobicContact CG2-CB 3.29Å; M510-A590 HydrophobicContact CE-CB 4Å; M510-A590 HydrophobicContact CG-CB 4.11Å; M510-A590 HydrophobicContact SD-CB 3.76Å; E528-A590 CarbonylContact O-C 3.54Å; E528-A590 VanDerWaalsContact O-CA 3.27Å; E528-A590 WeakPolarHBondContact O-CA 3.14Å; L529-A590 HydrophobicContact CD1-CB 4.19Å; A590-H608 WeakPolarHBondContact O-CA 3.34Å; A590-S609 PolarHBondContact N-O 2.8Å; A590-S609 PolarHBondContact O-N 2.93Å |
| 591 | E | 94.8 | Very high | 80.1 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | 179.3 | -63 | -176.2 | -174.7 | 0 | 0 | 109.6 | G527 E528 T589 T607 H608 | G527-E591 CarbonylContact C-O 3.44Å; G527-E591 WeakPolarHBondContact CA-O 3.16Å; E528-E591 PolarHBondContact N-O 3.45Å; E528-E591 PolarHBondContact O-N 2.77Å; T589-E591 HydrophobicContact CG2-CG 4.16Å; E591-T607 CarbonylContact C-O 3.58Å; E591-T607 WeakPolarHBondContact CA-O 3.35Å; E591-H608 HydrophobicContact CG-CB 4.3Å |
| 592 | I | 93.1 | Very high | 80.5 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.3 | 174.3 | 63.9 | 168.6 | 0 | 0 | 0 | 111.7 | V480 M510 V512 L525 R526 L603 T607 | V480-I592 HydrophobicContact CG2-CB 4.1Å; V480-I592 HydrophobicContact CG2-CD1 3.43Å; V480-I592 VanDerWaalsContact CG2-CD1 3.43Å; V480-I592 HydrophobicContact CG2-CG1 3.47Å; V480-I592 VanDerWaalsContact CG2-CG1 3.47Å; V480-I592 HydrophobicContact CG2-CG2 3.56Å; M510-I592 HydrophobicContact CE-CG2 3.42Å; M510-I592 VanDerWaalsContact CE-CG2 3.42Å; V512-I592 HydrophobicContact CG1-CD1 3.82Å; V512-I592 HydrophobicContact CG2-CG2 3.79Å; L525-I592 HydrophobicContact CD1-CD1 4.16Å; R526-I592 CarbonylContact O-C 3.55Å; R526-I592 VanDerWaalsContact O-CA 3.29Å; R526-I592 WeakPolarHBondContact O-CA 3.24Å; I592-L603 HydrophobicContact CD1-CD2 4.14Å; I592-L603 HydrophobicContact CG1-CD2 4.16Å; I592-T607 HydrophobicContact CG1-CG2 4.25Å; I592-T607 WeakPolarHBondContact CG1-O 3.32Å; I592-T607 PolarHBondContact N-O 3.32Å |
| 593 | S | 91.1 | Very high | 81 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 161.1 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 110 | L525 R526 | L525-S593 CarbonylContact C-O 3.15Å; L525-S593 VanDerWaalsContact CA-O 3.26Å; L525-S593 WeakPolarHBondContact CA-O 3.44Å; R526-S593 PolarHBondContact N-O 3.28Å; R526-S593 PolarHBondContact O-N 3.28Å |
| 594 | L | 88.2 | Confident | 81.5 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.8 | 172.8 | -76.1 | 163.1 | 0 | 0 | 0 | 110 | I476 T523 L525 I596 A601 L603 | I476-L594 HydrophobicContact CD1-CD2 4.2Å; T523-L594 HydrophobicContact CG2-CD2 4.05Å; L525-L594 HydrophobicContact CD2-CD2 3.77Å; L525-L594 HydrophobicContact CD2-CG 4.3Å; L594-I596 VanDerWaalsContact C-N 3.3Å; L594-A601 WeakPolarHBondContact CD1-O 3.49Å; L594-L603 HydrophobicContact CD1-CB 3.75Å; L594-L603 HydrophobicContact CG-CB 3.96Å; L594-L603 HydrophobicContact CG-CD2 4.39Å |
| 595 | L | 81.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -69.3 | -30.9 | 175.8 | -95 | 155.6 | 0 | 0 | 0 | 112.3 | A524 L525 R526 E555 | A524-L595 HydrophobicContact CB-CB 4.09Å; A524-L595 HydrophobicContact CB-CD1 4.1Å; A524-L595 PolarHBondContact O-N 3.44Å; L525-L595 WeakPolarHBondContact O-CD1 3.39Å; R526-L595 HydrophobicContact CB-CD2 4.16Å; R526-L595 HydrophobicContact CB-CG 3.92Å; E555-L595 HydrophobicContact CB-CD1 3.77Å; E555-L595 HydrophobicContact CG-CD1 3.76Å; E555-L595 HydrophobicContact CG-CD2 4.15Å |
| 596 | I | 70.4 | Confident | 81.8 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | trans | -129.2 | 106.6 | -172.5 | -59.4 | 171.9 | 0 | 0 | 0 | 108.4 | L594 T598 Q599 | L594-I596 VanDerWaalsContact C-N 3.3Å; I596-T598 HydrophobicContact CG2-CG2 4.48Å; I596-T598 WeakPolarHBondContact CG2-OG1 3.46Å; I596-T598 PolarHBondContact O-N 3.36Å; I596-Q599 HydrophobicContact CB-CG 4.42Å; I596-Q599 HydrophobicContact CG2-CG 4.43Å | ||
| 597 | P | 57 | Low | 81.8 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 76% | 0.76 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -68.1 | -7.8 | 174.4 | 23.7 | -30 | 0 | 0 | 0 | 113.5 | Q599 | P597-Q599 VanDerWaalsContact C-N 3.34Å; P597-Q599 PolarHBondContact O-N 3.28Å |
| 598 | T | 49.5 | Very low | 81.9 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 68% | 0.681 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -86.7 | 8.3 | 179 | 69.6 | 0 | 0 | 0 | 0 | 114.4 | I596 N600 | I596-T598 HydrophobicContact CG2-CG2 4.48Å; I596-T598 WeakPolarHBondContact CG2-OG1 3.46Å; I596-T598 PolarHBondContact O-N 3.36Å; T598-N600 PolarHBondContact O-N 3.16Å |
| 599 | Q | 54.8 | Low | 81.7 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -74.4 | 3.2 | 173.4 | -70.2 | -162.7 | -16.5 | 0 | 0 | 113.2 | P520 Q522 I596 P597 A601 | P520-Q599 HydrophobicContact CG-CB 4.45Å; Q522-Q599 PolarHBondContact O-NE2 2.97Å; I596-Q599 HydrophobicContact CB-CG 4.42Å; I596-Q599 HydrophobicContact CG2-CG 4.43Å; P597-Q599 VanDerWaalsContact C-N 3.34Å; P597-Q599 PolarHBondContact O-N 3.28Å; Q599-A601 HydrophobicContact CB-CB 4.35Å; Q599-A601 WeakPolarHBondContact O-CB 3.5Å; Q599-A601 PolarHBondContact O-N 2.96Å |
| 600 | N | 69.2 | Low | 81.6 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 45.1 | 37.9 | -175.1 | -67.6 | -10.5 | 0 | 0 | 0 | 112 | Q473 A474 T598 | Q473-N600 WeakPolarHBondContact CB-O 3.16Å; A474-N600 PolarHBondContact N-O 3.41Å; T598-N600 PolarHBondContact O-N 3.16Å |
| 601 | A | 78.9 | Confident | 81.3 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A474 I476 L594 Q599 | A474-A601 HydrophobicContact CB-CB 4.2Å; A474-A601 CarbonylContact O-C 3.27Å; A474-A601 WeakPolarHBondContact O-CA 3.31Å; A474-A601 WeakPolarHBondContact O-CB 3.48Å; I476-A601 HydrophobicContact CD1-CB 3.63Å; I476-A601 HydrophobicContact CG1-CB 3.98Å; L594-A601 WeakPolarHBondContact CD1-O 3.49Å; Q599-A601 HydrophobicContact CB-CB 4.35Å; Q599-A601 WeakPolarHBondContact O-CB 3.5Å; Q599-A601 PolarHBondContact O-N 2.96Å |
| 602 | L | 85.8 | Confident | 80.9 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.9 | -174.1 | -172.4 | 25.8 | 0 | 0 | 0 | 109.6 | M23 A474 I476 H604 | M23-L602 WeakPolarHBondContact O-CD2 3.14Å; M23-L602 WeakPolarHBondContact O-CG 3.34Å; A474-L602 PolarHBondContact O-N 3.34Å; I476-L602 PolarHBondContact N-O 3.16Å; L602-H604 HydrophobicContact CD2-CB 4.2Å |
| 603 | L | 85.6 | Confident | 80.6 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.9 | 176.2 | -170 | 68.4 | 0 | 0 | 0 | 109.7 | I476 L525 I592 L594 T607 | I476-L603 HydrophobicContact CB-CD1 4.21Å; I476-L603 HydrophobicContact CG2-CD1 3.8Å; L525-L603 HydrophobicContact CD2-CD1 4.17Å; L525-L603 HydrophobicContact CD2-CD2 4.34Å; I592-L603 HydrophobicContact CD1-CD2 4.14Å; I592-L603 HydrophobicContact CG1-CD2 4.16Å; L594-L603 HydrophobicContact CD1-CB 3.75Å; L594-L603 HydrophobicContact CG-CB 3.96Å; L594-L603 HydrophobicContact CG-CD2 4.39Å; L603-T607 HydrophobicContact CD2-CG2 3.7Å; L603-T607 HydrophobicContact CG-CG2 3.84Å |
| 604 | H | 84.9 | Confident | 80 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 171 | 177.7 | -163.6 | 64.2 | 0 | 0 | 0 | 111.3 | V475 I476 R477 S478 L602 | V475-H604 HydrophobicContact CG1-CB 3.79Å; I476-H604 PolarHBondContact O-N 2.8Å; R477-H604 WeakPolarHBondContact CA-O 2.98Å; S478-H604 PolarHBondContact N-O 2.87Å; S478-H604 PolarHBondContact OG-O 3.28Å; S478-H604 VanDerWaalsContact OG-O 3.06Å; L602-H604 HydrophobicContact CD2-CB 4.2Å |
| 605 | G | 83.6 | Confident | 79.7 | Confident | 47 Ų | 47 | 54 Ų | 54 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -144.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T607 | G605-T607 PolarHBondContact O-N 3.04Å |
| 606 | Q | 85.1 | Confident | 79.3 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 90.1 | -175.3 | -173.9 | -178 | 7.7 | 0 | 0 | 111 | S478 V480 H608 | S478-Q606 PolarHBondContact O-N 3.43Å; V480-Q606 PolarHBondContact N-O 2.87Å; Q606-H608 VanDerWaalsContact CG-O 3.23Å; Q606-H608 WeakPolarHBondContact CG-O 3.49Å; Q606-H608 PolarHBondContact NE2-O 3.26Å |
| 607 | T | 89.8 | Confident | 79.1 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 31% | 0.307 | 30% | 0.295 | S | S | . | . | trans | -86 | -10.4 | 178.5 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | E591 I592 L603 G605 | E591-T607 CarbonylContact C-O 3.58Å; E591-T607 WeakPolarHBondContact CA-O 3.35Å; I592-T607 HydrophobicContact CG1-CG2 4.25Å; I592-T607 WeakPolarHBondContact CG1-O 3.32Å; I592-T607 PolarHBondContact N-O 3.32Å; L603-T607 HydrophobicContact CD2-CG2 3.7Å; L603-T607 HydrophobicContact CG-CG2 3.84Å; G605-T607 PolarHBondContact O-N 3.04Å | ||
| 608 | H | 91.9 | Very high | 79.6 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.4 | 179.9 | 151.3 | -98.3 | 0 | 0 | 0 | 110.2 | T589 A590 E591 Q606 T610 | T589-H608 WeakPolarHBondContact CG2-CD2 3.21Å; A590-H608 WeakPolarHBondContact O-CA 3.34Å; E591-H608 HydrophobicContact CG-CB 4.3Å; Q606-H608 VanDerWaalsContact CG-O 3.23Å; Q606-H608 WeakPolarHBondContact CG-O 3.49Å; Q606-H608 PolarHBondContact NE2-O 3.26Å; H608-T610 PolarHBondContact NE2-OG1 3.39Å |
| 609 | S | 91.7 | Very high | 80.6 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 130.6 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | V480 T589 A590 | V480-S609 WeakPolarHBondContact O-CB 3.42Å; T589-S609 WeakPolarHBondContact CA-O 3.4Å; A590-S609 PolarHBondContact N-O 2.8Å; A590-S609 PolarHBondContact O-N 2.93Å |
| 610 | T | 91.4 | Very high | 81.4 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.5 | 173.2 | -71.7 | 0 | 0 | 0 | 0 | 110.1 | F587 I588 T589 H608 | F587-T610 HydrophobicContact CB-CG2 4.26Å; F587-T610 HydrophobicContact CD1-CG2 3.7Å; F587-T610 HydrophobicContact CG-CG2 4.47Å; I588-T610 CarbonylContact O-C 3.57Å; I588-T610 WeakPolarHBondContact O-CA 3.43Å; T589-T610 WeakPolarHBondContact CB-OG1 3.46Å; T589-T610 WeakPolarHBondContact CG2-OG1 3.39Å; T589-T610 PolarHBondContact OG1-OG1 2.96Å; H608-T610 PolarHBondContact NE2-OG1 3.39Å |
| 611 | V | 89.3 | Confident | 81.5 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.3 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | V482 L484 I588 | V482-V611 HydrophobicContact CB-CB 4.3Å; V482-V611 HydrophobicContact CB-CG2 3.95Å; V482-V611 HydrophobicContact CG1-CB 4.44Å; V482-V611 WeakPolarHBondContact O-CG2 3.46Å; L484-V611 HydrophobicContact CD1-CG1 3.84Å; L484-V611 HydrophobicContact CG-CG1 4Å; I588-V611 PolarHBondContact N-O 3.07Å; I588-V611 PolarHBondContact O-N 2.94Å |
| 612 | Q | 86.9 | Confident | 81.3 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.3 | 177.6 | 65.4 | -169.9 | -15.3 | 0 | 0 | 111.8 | P585 I586 F587 E663 | P585-Q612 HydrophobicContact CB-CB 4.2Å; I586-Q612 CarbonylContact O-C 3.34Å; I586-Q612 WeakPolarHBondContact O-CA 3.45Å; F587-Q612 HydrophobicContact CD1-CB 4.09Å; F587-Q612 HydrophobicContact CE1-CB 4.1Å; Q612-E663 PolarHBondContact NE2-OE1 2.91Å; Q612-E663 PolarHBondContact NE2-OE2 2.63Å |
| 613 | S | 85.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 168.8 | 163.4 | -164.1 | 0 | 0 | 0 | 0 | 110 | D487 I586 | D487-S613 PolarHBondContact O-OG 2.82Å; I586-S613 PolarHBondContact N-O 2.84Å; I586-S613 PolarHBondContact O-N 3.16Å |
| 614 | R | 79.3 | Confident | 80.1 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 11% | 0.106 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.5 | -175.8 | 60 | -172.1 | 168.4 | -145.3 | 4.3 | 111.9 | F488 L489 E663 K739 | F488-R614 HydrophobicContact CB-CG 4.46Å; L489-R614 PolarHBondContact N-O 2.88Å; R614-E663 IonicContact CZ-OE1 3.05Å; R614-E663 IonicContact NH1-OE1 3.54Å; R614-E663 PolarHBondContact NH1-OE1 2.72Å; R614-K739 PolarHBondContact NH2-O 3.27Å |
| 615 | L | 80.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.2 | 173.9 | -64.6 | 155.9 | 0 | 0 | 0 | 108.2 | L489 P491 L573 K582 I586 L617 | L489-L615 HydrophobicContact CB-CD2 4.1Å; L489-L615 WeakPolarHBondContact O-CA 3.26Å; P491-L615 HydrophobicContact CG-CD2 3.73Å; L573-L615 HydrophobicContact CD1-CD2 4.03Å; L573-L615 HydrophobicContact CD2-CD2 3.35Å; L573-L615 HydrophobicContact CG-CD2 4.34Å; K582-L615 HydrophobicContact CB-CD1 4.19Å; I586-L615 HydrophobicContact CD1-CG 4.38Å; L615-L617 HydrophobicContact CB-CD1 4.44Å |
| 616 | I | 73.6 | Confident | 80 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.179 | 32% | 0.318 | C | S | . | . | trans | -70.3 | 129 | 173 | -66 | -177 | 0 | 0 | 0 | 108.8 | F488 L489 C619 | F488-I616 HydrophobicContact CB-CD1 4.14Å; F488-I616 HydrophobicContact CB-CG1 4.09Å; F488-I616 HydrophobicContact CD2-CD1 3.29Å; F488-I616 HydrophobicContact CD2-CG1 4.11Å; F488-I616 HydrophobicContact CE2-CD1 3.8Å; F488-I616 HydrophobicContact CG-CD1 3.78Å; F488-I616 HydrophobicContact CG-CG1 4.3Å; L489-I616 PolarHBondContact O-N 2.98Å; L489-I616 VanDerWaalsContact O-N 3.1Å; I616-C619 HydrophobicContact CG2-CB 4.14Å; I616-C619 VanDerWaalsContact CG2-SG 3.58Å | ||
| 617 | L | 67.9 | Low | 80.3 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | trans | -140.2 | 133.9 | -179.5 | -76 | 140.8 | 0 | 0 | 0 | 109.4 | K582 L583 L615 C619 Y662 | K582-L617 HydrophobicContact CB-CD1 3.97Å; K582-L617 HydrophobicContact CB-CD2 4.19Å; K582-L617 HydrophobicContact CD-CD2 4.41Å; K582-L617 WeakPolarHBondContact O-CD1 3.32Å; L583-L617 HydrophobicContact CD2-CD1 4.1Å; L615-L617 HydrophobicContact CB-CD1 4.44Å; L617-C619 PolarHBondContact O-N 3.47Å; L617-Y662 PolarHBondContact O-OH 2.81Å | ||
| 618 | D | 66.5 | Low | 80.5 | Confident | 158 Ų | 158 | 54.7 Ų | 54.7 | 85% | 0.845 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 62.3 | 34.7 | 170.4 | -51.3 | -33.7 | 0 | 0 | 0 | 116.3 | ||
| 619 | C | 69.9 | Low | 80.6 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | trans | -95.6 | 33.8 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 114.4 | I616 L617 D622 N623 I624 C625 | I616-C619 HydrophobicContact CG2-CB 4.14Å; I616-C619 VanDerWaalsContact CG2-SG 3.58Å; L617-C619 PolarHBondContact O-N 3.47Å; C619-D622 VanDerWaalsContact O-OD1 3.13Å; C619-N623 WeakPolarHBondContact O-CA 3.16Å; C619-N623 PolarHBondContact O-N 2.83Å; C619-I624 PolarHBondContact O-N 3.33Å; C619-C625 WeakPolarHBondContact CA-SG 3.48Å; C619-C625 HydrophobicContact CB-CB 4Å; C619-C625 WeakPolarHBondContact CB-SG 3.44Å; C619-C625 WeakPolarHBondContact SG-CB 3.17Å; C619-C625 CovalentContact SG-SG 2.03Å; C619-C625 PolarHBondContact SG-SG 2.94Å | ||
| 620 | G | 71.4 | Confident | 80.8 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -170.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | D622 N623 | G620-D622 VanDerWaalsContact C-N 3.32Å; G620-D622 PolarHBondContact O-N 3.4Å; G620-N623 PolarHBondContact O-N 3.06Å |
| 621 | D | 72.8 | Confident | 81 | Confident | 176 Ų | 176 | 52.2 Ų | 52.2 | 94% | 0.941 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20.3 | -175.7 | -66.3 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 622 | D | 74.3 | Confident | 81.3 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -5.9 | 177.7 | 64.8 | -3.1 | 0 | 0 | 0 | 113.1 | C619 G620 I624 | C619-D622 VanDerWaalsContact O-OD1 3.13Å; G620-D622 VanDerWaalsContact C-N 3.32Å; G620-D622 PolarHBondContact O-N 3.4Å; D622-I624 PolarHBondContact O-N 2.91Å; D622-I624 PolarHBondContact OD1-N 3.5Å |
| 623 | N | 69.8 | Low | 81.7 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 24.3 | -179.3 | -65 | -56.6 | 0 | 0 | 0 | 114.2 | C619 G620 | C619-N623 WeakPolarHBondContact O-CA 3.16Å; C619-N623 PolarHBondContact O-N 2.83Å; G620-N623 PolarHBondContact O-N 3.06Å |
| 624 | I | 75.4 | Confident | 82.1 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | -122.1 | 105.5 | -179.6 | -61 | 169.4 | 0 | 0 | 0 | 109.7 | C619 D622 I626 V742 | C619-I624 PolarHBondContact O-N 3.33Å; D622-I624 PolarHBondContact O-N 2.91Å; D622-I624 PolarHBondContact OD1-N 3.5Å; I624-I626 HydrophobicContact CG2-CG1 4.25Å; I624-I626 PolarHBondContact O-N 2.93Å; I624-V742 HydrophobicContact CG2-CG2 4.15Å | ||
| 625 | C | 79.4 | Confident | 82.8 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | trans | -73.3 | 116.1 | 178.5 | -83 | 0 | 0 | 0 | 0 | 112.6 | C619 P627 E659 Y662 N740 | C619-C625 WeakPolarHBondContact CA-SG 3.48Å; C619-C625 HydrophobicContact CB-CB 4Å; C619-C625 WeakPolarHBondContact CB-SG 3.44Å; C619-C625 WeakPolarHBondContact SG-CB 3.17Å; C619-C625 CovalentContact SG-SG 2.03Å; C619-C625 PolarHBondContact SG-SG 2.94Å; C625-P627 WeakPolarHBondContact O-CD 3.29Å; C625-E659 VanDerWaalsContact CA-OE2 3.28Å; C625-E659 WeakPolarHBondContact CA-OE2 3.48Å; C625-Y662 HydrophobicContact CB-CE2 3.92Å; C625-N740 WeakPolarHBondContact CB-ND2 3.47Å; C625-N740 PolarHBondContact O-ND2 3.13Å | ||
| 626 | I | 88.5 | Confident | 83.3 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | trans | -109.3 | 103 | 178.5 | -52.6 | 177.4 | 0 | 0 | 0 | 110.9 | I624 E659 V742 N743 | I624-I626 HydrophobicContact CG2-CG1 4.25Å; I624-I626 PolarHBondContact O-N 2.93Å; I626-E659 PolarHBondContact N-OE2 3.04Å; I626-E659 WeakPolarHBondContact O-CB 3.5Å; I626-E659 PolarHBondContact O-N 3.33Å; I626-V742 HydrophobicContact CD1-CG1 4.43Å; I626-V742 HydrophobicContact CG1-CB 4.23Å; I626-V742 HydrophobicContact CG1-CG1 4.26Å; I626-V742 HydrophobicContact CG2-CG1 4.12Å; I626-N743 HydrophobicContact CG2-CB 4.25Å | ||
| 627 | P | 90.6 | Very high | 84 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -82.4 | 164.5 | 178.2 | 34.7 | -35 | 0 | 0 | 0 | 112.8 | C625 L629 A661 N740 V742 N743 | C625-P627 WeakPolarHBondContact O-CD 3.29Å; P627-L629 HydrophobicContact CB-CG 4.26Å; P627-A661 HydrophobicContact CB-CB 3.58Å; P627-A661 HydrophobicContact CG-CB 4.14Å; P627-N740 HydrophobicContact CG-CB 4.09Å; P627-V742 WeakPolarHBondContact CD-O 3.47Å; P627-N743 WeakPolarHBondContact CG-O 3.08Å; P627-N743 PolarHBondContact O-ND2 3.35Å | ||
| 628 | D | 93.5 | Very high | 84.8 | Confident | 56 Ų | 56 | 67 Ų | 67 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | -129.6 | 85.4 | 170.2 | 179.4 | 21.9 | 0 | 0 | 0 | 109.3 | K630 N656 D657 | D628-K630 IonicContact OD1-NZ 3.98Å; D628-K630 VanDerWaalsContact OD2-CE 3.24Å; D628-K630 WeakPolarHBondContact OD2-CE 3.3Å; D628-K630 IonicContact OD2-NZ 2.78Å; D628-K630 PolarHBondContact OD2-NZ 2.91Å; D628-N656 PolarHBondContact N-OD1 2.89Å; D628-N656 VanDerWaalsContact N-OD1 3.07Å; D628-N656 CarbonylContact O-C 3.58Å; D628-N656 WeakPolarHBondContact O-CA 3.34Å; D628-N656 PolarHBondContact O-OD1 3Å; D628-D657 HydrophobicContact CB-CB 4.2Å; D628-D657 PolarHBondContact O-N 3.18Å | ||
| 629 | L | 95.3 | Very high | 85.8 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.7 | -173.4 | -60.2 | 171.8 | 0 | 0 | 0 | 111.4 | P627 T655 N656 A661 T664 M706 I736 S746 | P627-L629 HydrophobicContact CB-CG 4.26Å; L629-T655 WeakPolarHBondContact CA-O 3.35Å; L629-N656 HydrophobicContact CD2-CB 3.95Å; L629-A661 HydrophobicContact CD1-CB 4.47Å; L629-A661 HydrophobicContact CD2-CB 3.83Å; L629-A661 HydrophobicContact CG-CB 4.48Å; L629-T664 HydrophobicContact CD1-CG2 4.41Å; L629-T664 HydrophobicContact CD2-CG2 4.09Å; L629-M706 HydrophobicContact CD2-SD 4.14Å; L629-I736 HydrophobicContact CD1-CG2 3.9Å; L629-I736 HydrophobicContact CD2-CG2 4.41Å; L629-S746 VanDerWaalsContact O-CA 3.26Å; L629-S746 WeakPolarHBondContact O-CA 3.46Å; L629-S746 WeakPolarHBondContact O-CB 3.12Å |
| 630 | K | 94.8 | Very high | 86.7 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.5 | 176.7 | -61.3 | 171.1 | -175.6 | 141 | 0 | 111.4 | D628 A654 T655 D657 | D628-K630 IonicContact OD1-NZ 3.98Å; D628-K630 VanDerWaalsContact OD2-CE 3.24Å; D628-K630 WeakPolarHBondContact OD2-CE 3.3Å; D628-K630 IonicContact OD2-NZ 2.78Å; D628-K630 PolarHBondContact OD2-NZ 2.91Å; K630-A654 WeakPolarHBondContact O-CA 3.2Å; K630-T655 WeakPolarHBondContact CB-OG1 3.48Å; K630-T655 PolarHBondContact N-O 3.47Å; K630-T655 PolarHBondContact O-N 3.07Å; K630-D657 IonicContact NZ-OD2 2.72Å; K630-D657 PolarHBondContact NZ-OD2 3.1Å |
| 631 | L | 96.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.2 | -175.9 | -176.6 | 65.5 | 0 | 0 | 0 | 111.6 | V652 A654 L666 L734 I736 N747 V749 | L631-V652 HydrophobicContact CD1-CG1 3.5Å; L631-A654 HydrophobicContact CD1-CB 4.46Å; L631-L666 HydrophobicContact CD1-CD1 3.8Å; L631-L666 HydrophobicContact CD2-CD1 3.87Å; L631-L734 HydrophobicContact CD2-CB 3.76Å; L631-I736 HydrophobicContact CB-CD1 3.97Å; L631-I736 HydrophobicContact CB-CG1 4.13Å; L631-I736 HydrophobicContact CD1-CD1 4.08Å; L631-I736 HydrophobicContact CD1-CG1 4.03Å; L631-I736 HydrophobicContact CD2-CG1 4.26Å; L631-I736 HydrophobicContact CG-CG1 4.37Å; L631-N747 PolarHBondContact N-OD1 3.01Å; L631-N747 PolarHBondContact O-ND2 2.98Å; L631-N747 PolarHBondContact O-OD1 3.47Å; L631-V749 HydrophobicContact CB-CG2 4.18Å; L631-V749 HydrophobicContact CD2-CB 4.38Å; L631-V749 HydrophobicContact CD2-CG2 4.09Å; L631-V749 HydrophobicContact CG-CG2 3.98Å; L631-V749 WeakPolarHBondContact O-CG2 3.38Å |
| 632 | S | 95.3 | Very high | 87.7 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.8 | 167.2 | 66 | 0 | 0 | 0 | 0 | 110.6 | V652 S653 | S632-V652 WeakPolarHBondContact O-CA 3.45Å; S632-S653 PolarHBondContact N-O 3.11Å; S632-S653 PolarHBondContact O-N 3.5Å |
| 633 | A | 95 | Very high | 87.8 | Confident | 14 Ų | 14 | 49 Ų | 49 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L651 V652 L734 V749 V751 | A633-L651 CarbonylContact C-O 3.6Å; A633-L651 VanDerWaalsContact CA-O 3.23Å; A633-L651 WeakPolarHBondContact CA-O 3.36Å; A633-V652 HydrophobicContact CB-CG2 4.14Å; A633-L734 HydrophobicContact CB-CD1 4.27Å; A633-L734 HydrophobicContact CB-CD2 3.91Å; A633-V749 HydrophobicContact CB-CG1 4.01Å; A633-V751 HydrophobicContact CB-CG2 3.95Å |
| 634 | K | 93.8 | Very high | 87.9 | Confident | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143 | 176 | -65.3 | -174.2 | -179.7 | -177.2 | 0 | 111.1 | L651 | K634-L651 PolarHBondContact N-O 3.02Å; K634-L651 PolarHBondContact O-N 3.32Å |
| 635 | P | 93.6 | Very high | 88 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 20% | 0.195 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.8 | 173.7 | 35 | -31.4 | 0 | 0 | 0 | 110.3 | S637 L650 V751 V753 | P635-S637 WeakPolarHBondContact CB-O 3.36Å; P635-L650 HydrophobicContact CB-CD2 3.7Å; P635-V751 HydrophobicContact CB-CG1 4.14Å; P635-V751 HydrophobicContact CG-CG1 3.85Å; P635-V753 HydrophobicContact CB-CG2 4.03Å; P635-V753 HydrophobicContact CG-CG2 4.34Å |
| 636 | V | 91.4 | Very high | 88.2 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -81.5 | -33.7 | 173 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L649 L651 | V636-L649 HydrophobicContact CB-CB 4.26Å; V636-L649 HydrophobicContact CG2-CB 4.04Å; V636-L649 HydrophobicContact CG2-CD2 3.93Å; V636-L649 HydrophobicContact CG2-CG 3.92Å; V636-L649 PolarHBondContact N-O 3.31Å; V636-L651 HydrophobicContact CG2-CD1 3.84Å; V636-L651 HydrophobicContact CG2-CG 3.8Å |
| 637 | S | 87.5 | Confident | 88.3 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -110.8 | 130.7 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 110 | P635 S639 | P635-S637 WeakPolarHBondContact CB-O 3.36Å; S637-S639 VanDerWaalsContact C-N 3.27Å; S637-S639 PolarHBondContact O-N 3.09Å; S637-S639 PolarHBondContact OG-N 2.72Å; S637-S639 PolarHBondContact OG-O 3.37Å | ||
| 638 | D | 85.2 | Confident | 88.3 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 66% | 0.663 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.8 | -13.7 | 178.4 | -67.3 | -36.7 | 0 | 0 | 0 | 112.9 | Q754 | D638-Q754 PolarHBondContact O-N 3.27Š|
| 639 | S | 87.7 | Confident | 88.3 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.2 | 178.4 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | S637 Q754 | S637-S639 VanDerWaalsContact C-N 3.27Å; S637-S639 PolarHBondContact O-N 3.09Å; S637-S639 PolarHBondContact OG-N 2.72Å; S637-S639 PolarHBondContact OG-O 3.37Å; S639-Q754 CarbonylContact C-O 3.57Å; S639-Q754 WeakPolarHBondContact CA-O 3.35Å; S639-Q754 WeakPolarHBondContact CB-O 3.31Å |
| 640 | V | 88.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.5 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | Q646 L648 V720 L723 V753 Q754 V755 K756 | V640-Q646 HydrophobicContact CG1-CB 4.06Å; V640-Q646 HydrophobicContact CG1-CG 4.41Å; V640-L648 HydrophobicContact CG2-CD1 4.36Å; V640-V720 HydrophobicContact CG1-CG1 4.43Å; V640-L723 HydrophobicContact CB-CD1 4.37Å; V640-L723 HydrophobicContact CG1-CD1 3.63Å; V640-V753 HydrophobicContact CG2-CG1 3.79Å; V640-Q754 PolarHBondContact N-O 3.4Å; V640-V755 WeakPolarHBondContact O-CA 3.16Å; V640-K756 PolarHBondContact O-N 2.88Å |
| 641 | L | 85.4 | Confident | 88.2 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 143.4 | -179.7 | -56.5 | 176.7 | 0 | 0 | 0 | 111.5 | K756 E758 P806 | L641-K756 CarbonylContact C-O 3.57Å; L641-K756 VanDerWaalsContact CA-O 3.24Å; L641-K756 WeakPolarHBondContact CA-O 3.38Å; L641-K756 HydrophobicContact CD2-CB 4Å; L641-E758 HydrophobicContact CD2-CB 4.41Å; L641-P806 HydrophobicContact CB-CG 4.27Å; L641-P806 HydrophobicContact CD1-CG 4.03Å |
| 642 | I | 81.4 | Confident | 88.1 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -76.4 | 138.5 | 174.9 | -59.8 | -178.5 | 0 | 0 | 0 | 110.3 | L723 E724 V755 K756 A757 P806 S807 V954 | I642-L723 HydrophobicContact CG1-CB 4.09Å; I642-E724 HydrophobicContact CG2-CG 4.11Å; I642-V755 HydrophobicContact CD1-CG1 3.66Å; I642-V755 HydrophobicContact CG1-CG1 3.33Å; I642-K756 PolarHBondContact N-O 3.35Å; I642-A757 HydrophobicContact CD1-CB 4.4Å; I642-P806 CarbonylContact O-C 3.55Å; I642-S807 VanDerWaalsContact O-CA 3.32Å; I642-S807 WeakPolarHBondContact O-CA 3.2Å; I642-S807 WeakPolarHBondContact O-CB 3.16Å; I642-S807 PolarHBondContact O-N 3.09Å; I642-S807 PolarHBondContact O-OG 3.17Å; I642-V954 HydrophobicContact CD1-CB 3.72Å; I642-V954 HydrophobicContact CD1-CG1 4.49Å; I642-V954 HydrophobicContact CD1-CG2 4.09Å |
| 643 | G | 75 | Confident | 88 | Confident | 30 Ų | 30 | 50 Ų | 50 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 124.9 | -33.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P806 | G643-P806 WeakPolarHBondContact CA-O 3.16Š|
| 644 | D | 71.6 | Confident | 88 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -130.2 | 158.4 | 178.1 | -104.8 | -35.2 | 0 | 0 | 0 | 112.2 | Q646 R911 | D644-Q646 PolarHBondContact O-N 2.7Å; D644-R911 WeakPolarHBondContact OD2-CD 3.26Å; D644-R911 IonicContact OD2-CZ 3.66Å; D644-R911 IonicContact OD2-NE 3.94Å; D644-R911 IonicContact OD2-NH1 3.09Å; D644-R911 PolarHBondContact OD2-NH1 2.93Å |
| 645 | D | 79.4 | Confident | 88 | Confident | 111 Ų | 111 | 43.3 Ų | 43.3 | 59% | 0.594 | 26% | 0.257 | S | S | * | . | trans | -64.9 | 114.8 | 172.8 | -81 | 15.5 | 0 | 0 | 0 | 110.6 | V720 G721 | D645-V720 CarbonylContact C-O 3.55Å; D645-V720 WeakPolarHBondContact CA-O 3.23Å; D645-G721 VanDerWaalsContact OD1-CA 3.25Å; D645-G721 WeakPolarHBondContact OD1-CA 3.4Å | ||
| 646 | Q | 83 | Confident | 88 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.3 | 177.5 | -65.7 | -162.5 | -29.9 | 0 | 0 | 112 | V640 D644 V720 | V640-Q646 HydrophobicContact CG1-CB 4.06Å; V640-Q646 HydrophobicContact CG1-CG 4.41Å; D644-Q646 PolarHBondContact O-N 2.7Å; Q646-V720 PolarHBondContact N-O 2.9Å; Q646-V720 PolarHBondContact O-N 2.88Å |
| 647 | S | 89.4 | Confident | 88.1 | Confident | 82 Ų | 82 | 41 Ų | 41 | 57% | 0.573 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120.3 | 172.9 | -71.2 | 0 | 0 | 0 | 0 | 111.5 | Q677 F718 | S647-Q677 PolarHBondContact OG-OE1 2.85Å; S647-F718 CarbonylContact C-O 3.55Å; S647-F718 VanDerWaalsContact CA-O 3.24Å; S647-F718 WeakPolarHBondContact CA-O 3.44Å |
| 648 | L | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.1 | 175.4 | 178.5 | 69.5 | 0 | 0 | 0 | 110.5 | V640 L650 F718 V720 F732 V753 | V640-L648 HydrophobicContact CG2-CD1 4.36Å; L648-L650 HydrophobicContact CD2-CD2 4.38Å; L648-L650 HydrophobicContact CG-CD2 4.46Å; L648-F718 PolarHBondContact N-O 2.95Å; L648-F718 PolarHBondContact O-N 2.89Å; L648-V720 HydrophobicContact CB-CG2 4.07Å; L648-V720 HydrophobicContact CD2-CG2 4.29Å; L648-F732 HydrophobicContact CD2-CD2 4.41Å; L648-F732 HydrophobicContact CD2-CE2 3.38Å; L648-F732 HydrophobicContact CD2-CZ 3.59Å; L648-V753 HydrophobicContact CD1-CG1 4.22Å; L648-V753 HydrophobicContact CD1-CG2 4.4Å; L648-V753 HydrophobicContact CD2-CG1 4.43Å; L648-V753 HydrophobicContact CD2-CG2 3.93Å |
| 649 | L | 93.1 | Very high | 88.3 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 20% | 0.199 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.9 | 177.4 | -177.1 | 61.2 | 0 | 0 | 0 | 111.1 | V636 L717 | V636-L649 HydrophobicContact CB-CB 4.26Å; V636-L649 HydrophobicContact CG2-CB 4.04Å; V636-L649 HydrophobicContact CG2-CD2 3.93Å; V636-L649 HydrophobicContact CG2-CG 3.92Å; V636-L649 PolarHBondContact N-O 3.31Å; L649-L717 HydrophobicContact CB-CD1 4.01Å; L649-L717 HydrophobicContact CD1-CB 4.34Å; L649-L717 HydrophobicContact CD1-CD1 4.21Å |
| 650 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.1 | 171.4 | -61.1 | -173.3 | 0 | 0 | 0 | 110.4 | P635 L648 G715 L716 F718 F732 V751 | P635-L650 HydrophobicContact CB-CD2 3.7Å; L648-L650 HydrophobicContact CD2-CD2 4.38Å; L648-L650 HydrophobicContact CG-CD2 4.46Å; L650-G715 CarbonylContact O-C 3.56Å; L650-G715 WeakPolarHBondContact O-CA 3.49Å; L650-L716 PolarHBondContact N-O 2.73Å; L650-L716 PolarHBondContact O-N 2.91Å; L650-F718 HydrophobicContact CB-CE2 4.18Å; L650-F718 HydrophobicContact CD1-CD2 4.19Å; L650-F718 HydrophobicContact CD1-CE2 3.67Å; L650-F718 HydrophobicContact CG-CD2 4.11Å; L650-F718 HydrophobicContact CG-CE2 3.87Å; L650-F732 HydrophobicContact CD1-CB 4.05Å; L650-F732 HydrophobicContact CD1-CD1 3.8Å; L650-F732 HydrophobicContact CD1-CD2 4.15Å; L650-F732 HydrophobicContact CD1-CE1 4.27Å; L650-F732 HydrophobicContact CD1-CG 3.72Å; L650-V751 HydrophobicContact CD2-CG1 4.11Å |
| 651 | L | 93.4 | Very high | 88.1 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.8 | 173 | -65.6 | 173 | 0 | 0 | 0 | 109.7 | A633 K634 V636 | A633-L651 CarbonylContact C-O 3.6Å; A633-L651 VanDerWaalsContact CA-O 3.23Å; A633-L651 WeakPolarHBondContact CA-O 3.36Å; K634-L651 PolarHBondContact N-O 3.02Å; K634-L651 PolarHBondContact O-N 3.32Å; V636-L651 HydrophobicContact CG2-CD1 3.84Å; V636-L651 HydrophobicContact CG2-CG 3.8Å |
| 652 | V | 94.3 | Very high | 88 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.9 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | L631 S632 A633 L666 Q713 T714 L716 L734 | L631-V652 HydrophobicContact CD1-CG1 3.5Å; S632-V652 WeakPolarHBondContact O-CA 3.45Å; A633-V652 HydrophobicContact CB-CG2 4.14Å; V652-L666 HydrophobicContact CB-CD2 4.49Å; V652-L666 HydrophobicContact CG1-CD1 4.47Å; V652-L666 HydrophobicContact CG1-CD2 3.84Å; V652-Q713 WeakPolarHBondContact O-CA 3.42Å; V652-T714 PolarHBondContact N-O 2.88Å; V652-T714 PolarHBondContact O-N 2.66Å; V652-L716 HydrophobicContact CG2-CD1 3.94Å; V652-L716 HydrophobicContact CG2-CG 4.21Å; V652-L734 HydrophobicContact CG2-CD2 3.92Å |
| 653 | S | 93.7 | Very high | 87.9 | Confident | 18 Ų | 18 | 37 Ų | 37 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.5 | 173.8 | -179 | 0 | 0 | 0 | 0 | 109.9 | S632 I712 Q713 | S632-S653 PolarHBondContact N-O 3.11Å; S632-S653 PolarHBondContact O-N 3.5Å; S653-I712 WeakPolarHBondContact CA-O 3.17Å; S653-Q713 PolarHBondContact OG-NE2 3.3Å |
| 654 | A | 94.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K630 L631 L702 M706 K711 I712 I736 | K630-A654 WeakPolarHBondContact O-CA 3.2Å; L631-A654 HydrophobicContact CD1-CB 4.46Å; A654-L702 HydrophobicContact CB-CD1 3.87Å; A654-L702 HydrophobicContact CB-CD2 4.22Å; A654-M706 HydrophobicContact CB-CE 4.36Å; A654-K711 WeakPolarHBondContact O-CA 3.46Å; A654-I712 PolarHBondContact N-O 3.3Å; A654-I712 PolarHBondContact O-N 2.98Å; A654-I736 HydrophobicContact CB-CD1 3.62Å |
| 655 | T | 94.6 | Very high | 89.6 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.6 | 179 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | L629 K630 Q710 K711 | L629-T655 WeakPolarHBondContact CA-O 3.35Å; K630-T655 WeakPolarHBondContact CB-OG1 3.48Å; K630-T655 PolarHBondContact N-O 3.47Å; K630-T655 PolarHBondContact O-N 3.07Å; T655-Q710 WeakPolarHBondContact CA-O 3.48Å; T655-K711 HydrophobicContact CG2-CB 3.84Å; T655-K711 HydrophobicContact CG2-CD 3.77Å; T655-K711 HydrophobicContact CG2-CG 3.55Å |
| 656 | N | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107.5 | 168.9 | -177.6 | 16.2 | 0 | 0 | 0 | 109.8 | D628 L629 G658 E659 M706 R709 Q710 | D628-N656 PolarHBondContact N-OD1 2.89Å; D628-N656 VanDerWaalsContact N-OD1 3.07Å; D628-N656 CarbonylContact O-C 3.58Å; D628-N656 WeakPolarHBondContact O-CA 3.34Å; D628-N656 PolarHBondContact O-OD1 3Å; L629-N656 HydrophobicContact CD2-CB 3.95Å; N656-G658 PolarHBondContact OD1-N 3.15Å; N656-G658 VanDerWaalsContact OD1-N 3.17Å; N656-E659 PolarHBondContact ND2-O 3.38Å; N656-M706 HydrophobicContact CB-CE 4.02Å; N656-M706 HydrophobicContact CB-CG 4.01Å; N656-M706 HydrophobicContact CB-SD 4.01Å; N656-M706 PolarHBondContact ND2-O 2.89Å; N656-R709 WeakPolarHBondContact O-CA 3.43Å; N656-R709 PolarHBondContact O-N 2.66Å; N656-Q710 PolarHBondContact N-O 3.47Å |
| 657 | D | 92.3 | Very high | 90.8 | Very high | 75 Ų | 75 | 27 Ų | 27 | 40% | 0.401 | 16% | 0.155 | S | C | . | . | trans | -93.9 | -3.8 | -179.7 | -66.7 | -30 | 0 | 0 | 0 | 113 | D628 K630 | D628-D657 HydrophobicContact CB-CB 4.2Å; D628-D657 PolarHBondContact O-N 3.18Å; K630-D657 IonicContact NZ-OD2 2.72Å; K630-D657 PolarHBondContact NZ-OD2 3.1Å | ||
| 658 | G | 88.8 | Confident | 91 | Very high | 16 Ų | 16 | 23 Ų | 23 | 17% | 0.165 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -106.4 | -156.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N656 H708 | N656-G658 PolarHBondContact OD1-N 3.15Å; N656-G658 VanDerWaalsContact OD1-N 3.17Å; G658-H708 VanDerWaalsContact O-CA 3.25Å; G658-H708 WeakPolarHBondContact O-CA 3.34Å; G658-H708 WeakPolarHBondContact O-CB 3.48Å; G658-H708 PolarHBondContact O-CD2 3.44Å |
| 659 | E | 88.7 | Confident | 91.1 | Very high | 71 Ų | 71 | 27.1 Ų | 27.1 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -72.6 | -179.4 | 179.7 | -60.6 | 179.7 | 147.4 | 0 | 0 | 112.6 | C625 I626 N656 A661 | C625-E659 VanDerWaalsContact CA-OE2 3.28Å; C625-E659 WeakPolarHBondContact CA-OE2 3.48Å; I626-E659 PolarHBondContact N-OE2 3.04Å; I626-E659 WeakPolarHBondContact O-CB 3.5Å; I626-E659 PolarHBondContact O-N 3.33Å; N656-E659 PolarHBondContact ND2-O 3.38Å; E659-A661 PolarHBondContact O-N 2.87Å |
| 660 | G | 84.5 | Confident | 91 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | trans | -56 | 120.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N740 | G660-N740 PolarHBondContact O-ND2 3.13Å; G660-N740 VanDerWaalsContact O-ND2 3.07Å | ||
| 661 | A | 86.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | 112 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P627 L629 E659 T664 P705 M706 N740 | P627-A661 HydrophobicContact CB-CB 3.58Å; P627-A661 HydrophobicContact CG-CB 4.14Å; L629-A661 HydrophobicContact CD1-CB 4.47Å; L629-A661 HydrophobicContact CD2-CB 3.83Å; L629-A661 HydrophobicContact CG-CB 4.48Å; E659-A661 PolarHBondContact O-N 2.87Å; A661-T664 VanDerWaalsContact C-OG1 3.3Å; A661-T664 WeakPolarHBondContact CB-OG1 3.39Å; A661-T664 PolarHBondContact O-OG1 3.32Å; A661-P705 CarbonylContact O-C 3.57Å; A661-P705 WeakPolarHBondContact O-CA 3.33Å; A661-P705 WeakPolarHBondContact O-CB 3.33Å; A661-M706 HydrophobicContact CB-CB 4.29Å; A661-M706 PolarHBondContact N-O 2.9Å; A661-M706 PolarHBondContact O-N 2.84Å; A661-N740 WeakPolarHBondContact CA-OD1 3.42Å |
| 662 | Y | 82.7 | Confident | 90.3 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 142.4 | -175.8 | -59.7 | -82.1 | 0 | 0 | 0 | 112.1 | L617 C625 T664 P705 S738 K739 N740 | L617-Y662 PolarHBondContact O-OH 2.81Å; C625-Y662 HydrophobicContact CB-CE2 3.92Å; Y662-T664 VanDerWaalsContact C-N 3.29Å; Y662-T664 PolarHBondContact O-N 2.85Å; Y662-P705 HydrophobicContact CD1-CB 3.66Å; Y662-P705 HydrophobicContact CD1-CG 4.11Å; Y662-P705 HydrophobicContact CE1-CB 3.88Å; Y662-P705 HydrophobicContact CE1-CG 3.92Å; Y662-P705 HydrophobicContact CG-CB 4.24Å; Y662-S738 WeakPolarHBondContact O-CB 3Å; Y662-K739 PolarHBondContact O-N 2.84Å; Y662-N740 PolarHBondContact N-OD1 2.96Å |
| 663 | E | 80.5 | Confident | 89.6 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 54.2 | -175.9 | -68.7 | 167.8 | -131.3 | 0 | 0 | 111.6 | Q612 R614 E665 N704 K739 | Q612-E663 PolarHBondContact NE2-OE1 2.91Å; Q612-E663 PolarHBondContact NE2-OE2 2.63Å; R614-E663 IonicContact CZ-OE1 3.05Å; R614-E663 IonicContact NH1-OE1 3.54Å; R614-E663 PolarHBondContact NH1-OE1 2.72Å; E663-E665 PolarHBondContact O-N 2.79Å; E663-N704 PolarHBondContact N-OD1 3.45Å; E663-K739 HydrophobicContact CB-CB 4.48Å; E663-K739 HydrophobicContact CB-CG 4.03Å |
| 664 | T | 88.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.2 | -178.5 | -54 | 0 | 0 | 0 | 0 | 108.6 | L629 A661 Y662 L702 G703 M706 I736 R737 | L629-T664 HydrophobicContact CD1-CG2 4.41Å; L629-T664 HydrophobicContact CD2-CG2 4.09Å; A661-T664 VanDerWaalsContact C-OG1 3.3Å; A661-T664 WeakPolarHBondContact CB-OG1 3.39Å; A661-T664 PolarHBondContact O-OG1 3.32Å; Y662-T664 VanDerWaalsContact C-N 3.29Å; Y662-T664 PolarHBondContact O-N 2.85Å; T664-L702 HydrophobicContact CG2-CB 4Å; T664-L702 HydrophobicContact CG2-CD1 4.04Å; T664-L702 WeakPolarHBondContact O-CA 3.34Å; T664-L702 WeakPolarHBondContact O-CB 3.48Å; T664-L702 PolarHBondContact O-N 3.5Å; T664-G703 PolarHBondContact N-O 3.12Å; T664-G703 PolarHBondContact O-N 3.36Å; T664-M706 HydrophobicContact CG2-CB 4.21Å; T664-M706 HydrophobicContact CG2-SD 3.81Å; T664-M706 WeakPolarHBondContact OG1-CB 3.14Å; T664-I736 HydrophobicContact CG2-CG2 3.29Å; T664-R737 CarbonylContact C-O 3.48Å; T664-R737 WeakPolarHBondContact CA-O 3.26Å |
| 665 | E | 92.8 | Very high | 89.1 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.9 | 177.7 | 59.9 | 176.2 | -174.3 | 0 | 0 | 110.4 | E663 V667 R690 C700 I736 R737 | E663-E665 PolarHBondContact O-N 2.79Å; E665-V667 HydrophobicContact CG-CG2 4.05Å; E665-R690 IonicContact OE2-NH2 3.96Å; E665-C700 CarbonylContact C-O 3.56Å; E665-C700 VanDerWaalsContact CA-O 3.29Å; E665-C700 WeakPolarHBondContact CA-O 3.4Å; E665-I736 CarbonylContact O-C 3.49Å; E665-I736 WeakPolarHBondContact O-CA 3.34Å; E665-I736 WeakPolarHBondContact O-CG2 3.48Å; E665-R737 HydrophobicContact CG-CB 4.09Å; E665-R737 PolarHBondContact N-O 2.81Å; E665-R737 PolarHBondContact O-N 3.16Å |
| 666 | L | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.6 | 163.9 | 171.5 | 67.6 | 0 | 0 | 0 | 108.2 | L631 V652 V668 T699 C700 L702 L716 L734 I736 | L631-L666 HydrophobicContact CD1-CD1 3.8Å; L631-L666 HydrophobicContact CD2-CD1 3.87Å; V652-L666 HydrophobicContact CB-CD2 4.49Å; V652-L666 HydrophobicContact CG1-CD1 4.47Å; V652-L666 HydrophobicContact CG1-CD2 3.84Å; L666-V668 HydrophobicContact CD1-CG2 4.45Å; L666-V668 HydrophobicContact CD2-CG2 4.17Å; L666-V668 HydrophobicContact CG-CG2 3.98Å; L666-T699 CarbonylContact O-C 3.53Å; L666-T699 VanDerWaalsContact O-CA 3.3Å; L666-T699 WeakPolarHBondContact O-CA 3.49Å; L666-C700 HydrophobicContact CB-CB 4.17Å; L666-C700 PolarHBondContact N-O 3.17Å; L666-C700 PolarHBondContact O-N 3.1Å; L666-L702 HydrophobicContact CB-CD1 3.89Å; L666-L702 HydrophobicContact CB-CD2 4.38Å; L666-L702 HydrophobicContact CB-CG 4.1Å; L666-L716 HydrophobicContact CD2-CD1 3.98Å; L666-L734 HydrophobicContact CD1-CB 4.49Å; L666-I736 HydrophobicContact CD1-CG1 4.3Å |
| 667 | V | 93.7 | Very high | 88.8 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.1 | 178 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | E665 V697 T699 L734 R735 R737 | E665-V667 HydrophobicContact CG-CG2 4.05Å; V667-V697 HydrophobicContact CG1-CG1 3.35Å; V667-T699 HydrophobicContact CG1-CG2 4.46Å; V667-T699 HydrophobicContact CG2-CG2 4.17Å; V667-L734 WeakPolarHBondContact O-CA 3.34Å; V667-R735 PolarHBondContact N-O 3.36Å; V667-R735 PolarHBondContact O-N 3.45Å; V667-R737 HydrophobicContact CG2-CB 4.5Å; V667-R737 HydrophobicContact CG2-CG 4.16Å |
| 668 | V | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.9 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | L666 L670 V697 V698 L716 F718 F732 S733 L734 | L666-V668 HydrophobicContact CD1-CG2 4.45Å; L666-V668 HydrophobicContact CD2-CG2 4.17Å; L666-V668 HydrophobicContact CG-CG2 3.98Å; V668-L670 HydrophobicContact CG1-CD2 3.9Å; V668-V697 CarbonylContact O-C 3.52Å; V668-V697 WeakPolarHBondContact O-CA 3.39Å; V668-V698 HydrophobicContact CB-CB 4.29Å; V668-V698 PolarHBondContact N-O 2.78Å; V668-V698 PolarHBondContact O-N 3.09Å; V668-L716 HydrophobicContact CG2-CD1 3.85Å; V668-F718 HydrophobicContact CG1-CZ 4.16Å; V668-F732 HydrophobicContact CG1-CD1 4.43Å; V668-S733 CarbonylContact C-O 3.57Å; V668-S733 WeakPolarHBondContact CA-O 3.02Å; V668-L734 HydrophobicContact CB-CG 4.45Å; V668-L734 HydrophobicContact CG1-CD2 4.34Å; V668-L734 HydrophobicContact CG1-CG 4.06Å; V668-L734 HydrophobicContact CG2-CD2 3.79Å; V668-L734 HydrophobicContact CG2-CG 4.01Å |
| 669 | Q | 92.9 | Very high | 88.6 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.5 | 172.1 | -175.2 | 178.4 | -5.8 | 0 | 0 | 109.1 | S733 | Q669-S733 PolarHBondContact N-O 3.16Å; Q669-S733 PolarHBondContact O-N 3.13Å |
| 670 | L | 91.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 146.5 | -177.3 | -53.8 | -173 | 0 | 0 | 0 | 111 | V668 T674 V696 V698 F718 F732 | V668-L670 HydrophobicContact CG1-CD2 3.9Å; L670-T674 HydrophobicContact CB-CG2 4.47Å; L670-T674 HydrophobicContact CD1-CG2 4.46Å; L670-T674 WeakPolarHBondContact CD1-O 3.31Å; L670-V696 HydrophobicContact CB-CB 4.44Å; L670-V696 HydrophobicContact CD1-CG1 3.84Å; L670-V696 HydrophobicContact CG-CG1 4.37Å; L670-V696 PolarHBondContact N-O 3.4Å; L670-V698 HydrophobicContact CD1-CG2 3.74Å; L670-V698 HydrophobicContact CD2-CG2 4.01Å; L670-V698 HydrophobicContact CG-CG2 4Å; L670-F718 HydrophobicContact CD1-CD1 4.44Å; L670-F718 HydrophobicContact CD1-CE1 4.48Å; L670-F718 HydrophobicContact CD2-CD1 3.78Å; L670-F718 HydrophobicContact CD2-CE1 3.38Å; L670-F718 HydrophobicContact CD2-CZ 4.11Å; L670-F732 HydrophobicContact CD2-CD1 4.1Å; L670-F732 HydrophobicContact CD2-CE1 4.03Å |
| 671 | P | 88.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 45 Ų | 45 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 166.7 | 163.6 | 24.1 | -23.1 | 0 | 0 | 0 | 110.9 | T674 I730 F732 | P671-T674 WeakPolarHBondContact O-CB 3.33Å; P671-I730 HydrophobicContact CB-CB 4.17Å; P671-I730 HydrophobicContact CG-CB 4.02Å; P671-I730 HydrophobicContact CG-CD1 4.4Å; P671-F732 HydrophobicContact CG-CE1 4.21Å; P671-F732 HydrophobicContact CG-CE2 4.17Å; P671-F732 HydrophobicContact CG-CZ 3.99Å |
| 672 | E | 83.2 | Confident | 86.5 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 152.8 | 175.4 | -65.9 | -179.8 | 170.1 | 0 | 0 | 111.1 | T674 | E672-T674 PolarHBondContact O-N 3.46Å; E672-T674 VanDerWaalsContact O-N 3.13Å; E672-T674 PolarHBondContact O-OG1 3.31Å |
| 673 | H | 81.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 28.4 | -179.3 | -50 | -66.9 | 0 | 0 | 0 | 115.2 | G721 N722 | H673-G721 WeakPolarHBondContact CB-O 3.48Å; H673-G721 PolarHBondContact O-N 2.74Å; H673-G721 VanDerWaalsContact O-N 3.15Å; H673-N722 HydrophobicContact CB-CB 4.06Å; H673-N722 PolarHBondContact CD2-O 3.32Å; H673-N722 PolarHBondContact CE1-ND2 3.1Å |
| 674 | T | 88.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | L670 P671 E672 F718 S719 V720 F732 | L670-T674 HydrophobicContact CB-CG2 4.47Å; L670-T674 HydrophobicContact CD1-CG2 4.46Å; L670-T674 WeakPolarHBondContact CD1-O 3.31Å; P671-T674 WeakPolarHBondContact O-CB 3.33Å; E672-T674 PolarHBondContact O-N 3.46Å; E672-T674 VanDerWaalsContact O-N 3.13Å; E672-T674 PolarHBondContact O-OG1 3.31Å; T674-F718 HydrophobicContact CG2-CB 3.99Å; T674-F718 HydrophobicContact CG2-CD1 4.36Å; T674-F718 HydrophobicContact CG2-CG 4.42Å; T674-S719 CarbonylContact C-O 3.56Å; T674-S719 WeakPolarHBondContact CA-O 3.29Å; T674-V720 HydrophobicContact CG2-CG2 3.91Å; T674-F732 HydrophobicContact CG2-CE1 3.89Å; T674-F732 HydrophobicContact CG2-CZ 3.96Å |
| 675 | H | 89.3 | Confident | 85.1 | Confident | 106 Ų | 106 | 66.6 Ų | 66.6 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139 | -176.8 | -63.5 | -86.2 | 0 | 0 | 0 | 111.7 | F718 S719 | H675-F718 CarbonylContact O-C 3.47Å; H675-F718 WeakPolarHBondContact O-CA 3.3Å; H675-S719 PolarHBondContact N-O 2.9Å; H675-S719 PolarHBondContact O-N 2.85Å |
| 676 | F | 92.2 | Very high | 84.8 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.4 | 172.7 | 176.6 | -110.2 | 0 | 0 | 0 | 110.9 | S678 C687 Q689 V698 L716 F718 | F676-S678 WeakPolarHBondContact CE2-O 3.18Å; F676-C687 HydrophobicContact CE1-CB 3.64Å; F676-C687 HydrophobicContact CE2-CB 4.48Å; F676-C687 HydrophobicContact CZ-CB 3.57Å; F676-Q689 VanDerWaalsContact CB-OE1 3.25Å; F676-V698 HydrophobicContact CB-CG1 4.43Å; F676-V698 HydrophobicContact CB-CG2 3.66Å; F676-V698 HydrophobicContact CD1-CG1 4.23Å; F676-V698 HydrophobicContact CD2-CG1 4.07Å; F676-V698 HydrophobicContact CE2-CG1 4.39Å; F676-V698 HydrophobicContact CG-CG1 3.98Å; F676-V698 HydrophobicContact CG-CG2 4.11Å; F676-L716 HydrophobicContact CE2-CB 4.49Å; F676-L716 HydrophobicContact CE2-CD2 4.19Å; F676-F718 HydrophobicContact CB-CD1 4.19Å; F676-F718 HydrophobicContact CB-CE1 4.13Å; F676-F718 HydrophobicContact CD2-CD1 4.17Å; F676-F718 AromaticContact CD2-CE1 3.71Å; F676-F718 HydrophobicContact CD2-CE1 3.71Å; F676-F718 HydrophobicContact CD2-CZ 4.26Å; F676-F718 HydrophobicContact CG-CE1 4.4Å |
| 677 | Q | 89.4 | Confident | 84.5 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -59.8 | 178.1 | -67.5 | -177.5 | -24.5 | 0 | 0 | 111.2 | S647 L717 S719 | S647-Q677 PolarHBondContact OG-OE1 2.85Å; Q677-L717 HydrophobicContact CB-CB 4.45Å; Q677-L717 HydrophobicContact CB-CD2 4.29Å; Q677-L717 HydrophobicContact CB-CG 4.39Å; Q677-L717 PolarHBondContact N-O 3.25Å; Q677-S719 PolarHBondContact NE2-OG 3.11Å |
| 678 | S | 88.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 169.3 | -174.7 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | F676 L717 | F676-S678 WeakPolarHBondContact CE2-O 3.18Å; S678-L717 PolarHBondContact N-O 3.48Å; S678-L717 WeakPolarHBondContact O-CB 3.04Å; S678-L717 PolarHBondContact O-N 2.95Å |
| 679 | C | 88.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 11% | 0.108 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.4 | 166.3 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | C687 G715 L716 | C679-C687 PolarHBondContact SG-SG 3.11Å; C679-G715 CarbonylContact C-O 3.57Å; C679-G715 WeakPolarHBondContact CA-O 3.26Å; C679-L716 WeakPolarHBondContact SG-CD2 3.48Å |
| 680 | Q | 82.1 | Confident | 83.2 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.4 | 174.9 | -64 | -168.9 | -3.6 | 0 | 0 | 111.1 | T714 G715 | Q680-T714 PolarHBondContact O-OG1 2.88Å; Q680-G715 PolarHBondContact N-O 2.95Å; Q680-G715 WeakPolarHBondContact O-CA 3.37Å; Q680-G715 PolarHBondContact O-N 3.05Å |
| 681 | G | 71.4 | Confident | 82.4 | Confident | 52 Ų | 52 | 83 Ų | 83 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 132.9 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N683 | G681-N683 VanDerWaalsContact C-N 3.29Å; G681-N683 PolarHBondContact O-N 3.15Å |
| 682 | E | 62 | Low | 81.5 | Confident | 201 Ų | 201 | 85.7 Ų | 85.7 | 94% | 0.939 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64 | -33 | -179.6 | -71.5 | -175.5 | 158 | 0 | 0 | 112.6 | ||
| 683 | N | 65.7 | Low | 80.8 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -99.2 | 90.1 | 173.9 | -72.6 | -23.2 | 0 | 0 | 0 | 110.1 | G681 L685 I712 T714 | G681-N683 VanDerWaalsContact C-N 3.29Å; G681-N683 PolarHBondContact O-N 3.15Å; N683-L685 PolarHBondContact O-N 2.85Å; N683-L685 VanDerWaalsContact O-N 3.14Å; N683-I712 HydrophobicContact CB-CG2 4.42Å; N683-T714 PolarHBondContact O-OG1 3.25Å |
| 684 | R | 71.3 | Confident | 80 | Confident | 216 Ų | 216 | 89.2 Ų | 89.2 | 82% | 0.815 | 44% | 0.444 | S | S | * | . | trans | -68.6 | 105.3 | 169.5 | -86.1 | -176.8 | 161.3 | 175.3 | -4 | 109.6 | ||||
| 685 | L | 85.5 | Confident | 79.3 | Confident | 25 Ų | 25 | 91.6 Ų | 91.6 | 13% | 0.131 | 46% | 0.459 | C | S | . | . | trans | -77.4 | 145.9 | 172.4 | -54.9 | -175.5 | 0 | 0 | 0 | 110.3 | N683 C687 C700 D701 L702 I712 T714 | N683-L685 PolarHBondContact O-N 2.85Å; N683-L685 VanDerWaalsContact O-N 3.14Å; L685-C687 PolarHBondContact O-N 2.96Å; L685-C700 HydrophobicContact CB-CB 4.35Å; L685-C700 HydrophobicContact CD1-CB 4.08Å; L685-D701 WeakPolarHBondContact CD2-O 3.4Å; L685-L702 HydrophobicContact CD1-CD2 3.67Å; L685-L702 HydrophobicContact CD2-CD2 4.42Å; L685-I712 HydrophobicContact CD1-CG2 4.5Å; L685-I712 HydrophobicContact CD2-CG2 3.93Å; L685-T714 HydrophobicContact CD1-CG2 3.62Å; L685-T714 HydrophobicContact CG-CG2 4.13Å | ||
| 686 | V | 85.9 | Confident | 79.1 | Confident | 97 Ų | 97 | 88.5 Ų | 88.5 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | trans | -79.8 | 116.6 | 166.9 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | C700 D701 | V686-C700 CarbonylContact O-C 3.51Å; V686-C700 WeakPolarHBondContact O-CA 3.36Å; V686-D701 PolarHBondContact O-N 3.4Å | ||
| 687 | C | 88.9 | Confident | 79 | Confident | 24 Ų | 24 | 87 Ų | 87 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.5 | -178.5 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | F676 C679 L685 V698 T699 C700 | F676-C687 HydrophobicContact CE1-CB 3.64Å; F676-C687 HydrophobicContact CE2-CB 4.48Å; F676-C687 HydrophobicContact CZ-CB 3.57Å; C679-C687 PolarHBondContact SG-SG 3.11Å; L685-C687 PolarHBondContact O-N 2.96Å; C687-V698 HydrophobicContact CB-CG1 4.2Å; C687-T699 CarbonylContact C-O 3.58Å; C687-T699 VanDerWaalsContact CA-O 3.25Å; C687-T699 WeakPolarHBondContact CA-O 3.4Å; C687-C700 HydrophobicContact CB-CB 4.07Å; C687-C700 WeakPolarHBondContact CB-SG 3.43Å; C687-C700 WeakPolarHBondContact SG-CB 3.46Å; C687-C700 CovalentContact SG-SG 2.02Å; C687-C700 PolarHBondContact SG-SG 2.76Å |
| 688 | V | 86 | Confident | 79.2 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.4 | 179 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V698 T699 | V688-V698 WeakPolarHBondContact O-CA 3.25Å; V688-T699 PolarHBondContact N-O 2.74Å; V688-T699 PolarHBondContact O-N 3.39Å; V688-T699 PolarHBondContact O-OG1 3.31Å |
| 689 | Q | 87.3 | Confident | 79.3 | Confident | 67 Ų | 67 | 81 Ų | 81 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.8 | 170.8 | -176.8 | 174.3 | -43.4 | 0 | 0 | 109.4 | F676 V696 V697 V698 | F676-Q689 VanDerWaalsContact CB-OE1 3.25Å; Q689-V696 HydrophobicContact CG-CG1 3.59Å; Q689-V697 WeakPolarHBondContact CA-O 2.93Å; Q689-V698 HydrophobicContact CB-CG2 4.18Å; Q689-V698 HydrophobicContact CG-CG2 4.16Å |
| 690 | R | 80.6 | Confident | 79.4 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.2 | 178.1 | 61.8 | -174.3 | -174.3 | -148.5 | 1.1 | 111.1 | E665 V697 T699 | E665-R690 IonicContact OE2-NH2 3.96Å; R690-V697 PolarHBondContact N-O 3.24Å; R690-V697 PolarHBondContact O-N 2.94Å; R690-V697 VanDerWaalsContact O-O 3.04Å; R690-T699 VanDerWaalsContact CZ-CG2 3.43Å |
| 691 | K | 74.4 | Confident | 79.8 | Confident | 122 Ų | 122 | 80.4 Ų | 80.4 | 53% | 0.53 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.7 | 174 | -162.2 | 172.9 | -177.8 | 179.1 | 0 | 108.4 | T695 | K691-T695 WeakPolarHBondContact CA-O 3.37Å |
| 692 | E | 70.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119 | -179.2 | -163 | 173.3 | -169.3 | 0 | 0 | 108.5 | Q694 T695 V697 | E692-Q694 PolarHBondContact O-N 2.83Å; E692-T695 PolarHBondContact N-O 3.13Å; E692-T695 PolarHBondContact O-N 2.85Å; E692-T695 PolarHBondContact O-OG1 2.88Å; E692-V697 HydrophobicContact CB-CG2 4.49Å |
| 693 | N | 68.8 | Low | 81.7 | Confident | 149 Ų | 149 | 70 Ų | 70 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 51.3 | -177.9 | -58.8 | -29.7 | 0 | 0 | 0 | 113.4 | T695 | N693-T695 PolarHBondContact O-N 2.83Š|
| 694 | Q | 63.8 | Low | 82.3 | Confident | 179 Ų | 179 | 69.7 Ų | 69.7 | 84% | 0.836 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | -9.5 | -176.9 | -56.4 | 176.9 | -19.2 | 0 | 0 | 116.1 | E692 | E692-Q694 PolarHBondContact O-N 2.83Š|
| 695 | T | 73.8 | Confident | 82.8 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 140.5 | 175.3 | 64 | 0 | 0 | 0 | 0 | 111.7 | K691 E692 N693 | K691-T695 WeakPolarHBondContact CA-O 3.37Å; E692-T695 PolarHBondContact N-O 3.13Å; E692-T695 PolarHBondContact O-N 2.85Å; E692-T695 PolarHBondContact O-OG1 2.88Å; N693-T695 PolarHBondContact O-N 2.83Å |
| 696 | V | 84.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 60 Ų | 60 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.4 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109 | L670 Q689 | L670-V696 HydrophobicContact CB-CB 4.44Å; L670-V696 HydrophobicContact CD1-CG1 3.84Å; L670-V696 HydrophobicContact CG-CG1 4.37Å; L670-V696 PolarHBondContact N-O 3.4Å; Q689-V696 HydrophobicContact CG-CG1 3.59Å |
| 697 | V | 90.8 | Very high | 83 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136 | -175.3 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | V667 V668 Q689 R690 E692 T699 | V667-V697 HydrophobicContact CG1-CG1 3.35Å; V668-V697 CarbonylContact O-C 3.52Å; V668-V697 WeakPolarHBondContact O-CA 3.39Å; Q689-V697 WeakPolarHBondContact CA-O 2.93Å; R690-V697 PolarHBondContact N-O 3.24Å; R690-V697 PolarHBondContact O-N 2.94Å; R690-V697 VanDerWaalsContact O-O 3.04Å; E692-V697 HydrophobicContact CB-CG2 4.49Å; V697-T699 HydrophobicContact CG1-CG2 4.29Å |
| 698 | V | 92.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.5 | 172.3 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | V668 L670 F676 C687 V688 Q689 F718 | V668-V698 HydrophobicContact CB-CB 4.29Å; V668-V698 PolarHBondContact N-O 2.78Å; V668-V698 PolarHBondContact O-N 3.09Å; L670-V698 HydrophobicContact CD1-CG2 3.74Å; L670-V698 HydrophobicContact CD2-CG2 4.01Å; L670-V698 HydrophobicContact CG-CG2 4Å; F676-V698 HydrophobicContact CB-CG1 4.43Å; F676-V698 HydrophobicContact CB-CG2 3.66Å; F676-V698 HydrophobicContact CD1-CG1 4.23Å; F676-V698 HydrophobicContact CD2-CG1 4.07Å; F676-V698 HydrophobicContact CE2-CG1 4.39Å; F676-V698 HydrophobicContact CG-CG1 3.98Å; F676-V698 HydrophobicContact CG-CG2 4.11Å; C687-V698 HydrophobicContact CB-CG1 4.2Å; V688-V698 WeakPolarHBondContact O-CA 3.25Å; Q689-V698 HydrophobicContact CB-CG2 4.18Å; Q689-V698 HydrophobicContact CG-CG2 4.16Å; V698-F718 HydrophobicContact CG2-CE1 4.29Å |
| 699 | T | 91.2 | Very high | 83 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.2 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | L666 V667 C687 V688 R690 V697 | L666-T699 CarbonylContact O-C 3.53Å; L666-T699 VanDerWaalsContact O-CA 3.3Å; L666-T699 WeakPolarHBondContact O-CA 3.49Å; V667-T699 HydrophobicContact CG1-CG2 4.46Å; V667-T699 HydrophobicContact CG2-CG2 4.17Å; C687-T699 CarbonylContact C-O 3.58Å; C687-T699 VanDerWaalsContact CA-O 3.25Å; C687-T699 WeakPolarHBondContact CA-O 3.4Å; V688-T699 PolarHBondContact N-O 2.74Å; V688-T699 PolarHBondContact O-N 3.39Å; V688-T699 PolarHBondContact O-OG1 3.31Å; R690-T699 VanDerWaalsContact CZ-CG2 3.43Å; V697-T699 HydrophobicContact CG1-CG2 4.29Å |
| 700 | C | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.9 | -178.7 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | E665 L666 L685 V686 C687 L702 | E665-C700 CarbonylContact C-O 3.56Å; E665-C700 VanDerWaalsContact CA-O 3.29Å; E665-C700 WeakPolarHBondContact CA-O 3.4Å; L666-C700 HydrophobicContact CB-CB 4.17Å; L666-C700 PolarHBondContact N-O 3.17Å; L666-C700 PolarHBondContact O-N 3.1Å; L685-C700 HydrophobicContact CB-CB 4.35Å; L685-C700 HydrophobicContact CD1-CB 4.08Å; V686-C700 CarbonylContact O-C 3.51Å; V686-C700 WeakPolarHBondContact O-CA 3.36Å; C687-C700 HydrophobicContact CB-CB 4.07Å; C687-C700 WeakPolarHBondContact CB-SG 3.43Å; C687-C700 WeakPolarHBondContact SG-CB 3.46Å; C687-C700 CovalentContact SG-SG 2.02Å; C687-C700 PolarHBondContact SG-SG 2.76Å; C700-L702 PolarHBondContact O-N 3.22Å |
| 701 | D | 90.1 | Very high | 83.6 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.9 | 179.9 | -68.7 | -23.5 | 0 | 0 | 0 | 111.2 | L685 V686 | L685-D701 WeakPolarHBondContact CD2-O 3.4Å; V686-D701 PolarHBondContact O-N 3.4Å |
| 702 | L | 89.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -11.5 | 175.4 | -64.3 | 176.3 | 0 | 0 | 0 | 112.9 | A654 T664 L666 L685 C700 M706 I712 I736 | A654-L702 HydrophobicContact CB-CD1 3.87Å; A654-L702 HydrophobicContact CB-CD2 4.22Å; T664-L702 HydrophobicContact CG2-CB 4Å; T664-L702 HydrophobicContact CG2-CD1 4.04Å; T664-L702 WeakPolarHBondContact O-CA 3.34Å; T664-L702 WeakPolarHBondContact O-CB 3.48Å; T664-L702 PolarHBondContact O-N 3.5Å; L666-L702 HydrophobicContact CB-CD1 3.89Å; L666-L702 HydrophobicContact CB-CD2 4.38Å; L666-L702 HydrophobicContact CB-CG 4.1Å; L685-L702 HydrophobicContact CD1-CD2 3.67Å; L685-L702 HydrophobicContact CD2-CD2 4.42Å; C700-L702 PolarHBondContact O-N 3.22Å; L702-M706 HydrophobicContact CB-SD 4.2Å; L702-I712 HydrophobicContact CB-CD1 4.18Å; L702-I712 HydrophobicContact CD2-CD1 4.11Å; L702-I712 HydrophobicContact CD2-CG2 4.21Å; L702-I712 WeakPolarHBondContact O-CD1 3.4Å; L702-I736 HydrophobicContact CD1-CD1 4.07Å; L702-I736 HydrophobicContact CD1-CG1 3.97Å; L702-I736 HydrophobicContact CD1-CG2 3.83Å |
| 703 | G | 82.7 | Confident | 85.4 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.7 | 156.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T664 M706 | T664-G703 PolarHBondContact N-O 3.12Å; T664-G703 PolarHBondContact O-N 3.36Å; G703-M706 PolarHBondContact O-N 3.35Å |
| 704 | N | 78.5 | Confident | 86.5 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 94 | 177.6 | -170.3 | 18.5 | 0 | 0 | 0 | 111.8 | E663 | E663-N704 PolarHBondContact N-OD1 3.45Š|
| 705 | P | 81.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 25% | 0.253 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -76.1 | 154 | -10.4 | 30.3 | -32.3 | 0 | 0 | 0 | 112.7 | A661 Y662 K707 | A661-P705 CarbonylContact O-C 3.57Å; A661-P705 WeakPolarHBondContact O-CA 3.33Å; A661-P705 WeakPolarHBondContact O-CB 3.33Å; Y662-P705 HydrophobicContact CD1-CB 3.66Å; Y662-P705 HydrophobicContact CD1-CG 4.11Å; Y662-P705 HydrophobicContact CE1-CB 3.88Å; Y662-P705 HydrophobicContact CE1-CG 3.92Å; Y662-P705 HydrophobicContact CG-CB 4.24Å; P705-K707 PolarHBondContact O-N 2.81Å |
| 706 | M | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 109.3 | 156.7 | -175.2 | 179.2 | -177 | 0 | 0 | 107.3 | L629 A654 N656 A661 T664 L702 G703 Q710 I712 | L629-M706 HydrophobicContact CD2-SD 4.14Å; A654-M706 HydrophobicContact CB-CE 4.36Å; N656-M706 HydrophobicContact CB-CE 4.02Å; N656-M706 HydrophobicContact CB-CG 4.01Å; N656-M706 HydrophobicContact CB-SD 4.01Å; N656-M706 PolarHBondContact ND2-O 2.89Å; A661-M706 HydrophobicContact CB-CB 4.29Å; A661-M706 PolarHBondContact N-O 2.9Å; A661-M706 PolarHBondContact O-N 2.84Å; T664-M706 HydrophobicContact CG2-CB 4.21Å; T664-M706 HydrophobicContact CG2-SD 3.81Å; T664-M706 WeakPolarHBondContact OG1-CB 3.14Å; L702-M706 HydrophobicContact CB-SD 4.2Å; G703-M706 PolarHBondContact O-N 3.35Å; M706-Q710 WeakPolarHBondContact CE-O 3.27Å; M706-Q710 HydrophobicContact CG-CB 4.18Å; M706-Q710 HydrophobicContact CG-CG 4.42Å; M706-I712 HydrophobicContact CE-CD1 4.45Å |
| 707 | K | 87.1 | Confident | 89.3 | Confident | 143 Ų | 143 | 49.7 Ų | 49.7 | 62% | 0.622 | 24% | 0.24 | S | C | * | . | trans | -69.4 | 160 | -169.1 | -61.4 | -177.1 | -179.3 | -177.9 | 0 | 111.9 | P705 R709 Q710 | P705-K707 PolarHBondContact O-N 2.81Å; K707-R709 PolarHBondContact O-N 3.39Å; K707-Q710 HydrophobicContact CB-CB 4.38Å; K707-Q710 WeakPolarHBondContact O-CB 3.41Å; K707-Q710 PolarHBondContact O-N 3.44Å; K707-Q710 VanDerWaalsContact O-N 3.07Å | ||
| 708 | H | 87.3 | Confident | 89.4 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 132.6 | 171 | 165.7 | -99.2 | 0 | 0 | 0 | 111 | G658 Q710 | G658-H708 VanDerWaalsContact O-CA 3.25Å; G658-H708 WeakPolarHBondContact O-CA 3.34Å; G658-H708 WeakPolarHBondContact O-CB 3.48Å; G658-H708 PolarHBondContact O-CD2 3.44Å; H708-Q710 PolarHBondContact O-N 2.75Å |
| 709 | R | 87.6 | Confident | 89.4 | Confident | 191 Ų | 191 | 50 Ų | 50 | 72% | 0.721 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 18.3 | -174.9 | -64.2 | 176.8 | -172.8 | -171 | 2.9 | 115.3 | N656 K707 | N656-R709 WeakPolarHBondContact O-CA 3.43Å; N656-R709 PolarHBondContact O-N 2.66Å; K707-R709 PolarHBondContact O-N 3.39Å |
| 710 | Q | 89.9 | Confident | 89.3 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129.1 | 173.8 | -170.1 | 171 | -4.1 | 0 | 0 | 110.1 | T655 N656 M706 K707 H708 I712 | T655-Q710 WeakPolarHBondContact CA-O 3.48Å; N656-Q710 PolarHBondContact N-O 3.47Å; M706-Q710 WeakPolarHBondContact CE-O 3.27Å; M706-Q710 HydrophobicContact CG-CB 4.18Å; M706-Q710 HydrophobicContact CG-CG 4.42Å; K707-Q710 HydrophobicContact CB-CB 4.38Å; K707-Q710 WeakPolarHBondContact O-CB 3.41Å; K707-Q710 PolarHBondContact O-N 3.44Å; K707-Q710 VanDerWaalsContact O-N 3.07Å; H708-Q710 PolarHBondContact O-N 2.75Å; Q710-I712 HydrophobicContact CG-CG1 4.33Å |
| 711 | K | 92.1 | Very high | 88.9 | Confident | 125 Ų | 125 | 49.8 Ų | 49.8 | 54% | 0.543 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.2 | 175.3 | 179.2 | 166.8 | -178 | -176 | 0 | 109.9 | A654 T655 Q713 | A654-K711 WeakPolarHBondContact O-CA 3.46Å; T655-K711 HydrophobicContact CG2-CB 3.84Å; T655-K711 HydrophobicContact CG2-CD 3.77Å; T655-K711 HydrophobicContact CG2-CG 3.55Å; K711-Q713 VanDerWaalsContact CE-NE2 3.32Å |
| 712 | I | 91.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.8 | -179.4 | -61.3 | 176.6 | 0 | 0 | 0 | 108.3 | S653 A654 N683 L685 L702 M706 Q710 | S653-I712 WeakPolarHBondContact CA-O 3.17Å; A654-I712 PolarHBondContact N-O 3.3Å; A654-I712 PolarHBondContact O-N 2.98Å; N683-I712 HydrophobicContact CB-CG2 4.42Å; L685-I712 HydrophobicContact CD1-CG2 4.5Å; L685-I712 HydrophobicContact CD2-CG2 3.93Å; L702-I712 HydrophobicContact CB-CD1 4.18Å; L702-I712 HydrophobicContact CD2-CD1 4.11Å; L702-I712 HydrophobicContact CD2-CG2 4.21Å; L702-I712 WeakPolarHBondContact O-CD1 3.4Å; M706-I712 HydrophobicContact CE-CD1 4.45Å; Q710-I712 HydrophobicContact CG-CG1 4.33Å |
| 713 | Q | 91.4 | Very high | 87.9 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | 173.6 | -66.5 | -171.8 | -33.2 | 0 | 0 | 109.1 | V652 S653 K711 | V652-Q713 WeakPolarHBondContact O-CA 3.42Å; S653-Q713 PolarHBondContact OG-NE2 3.3Å; K711-Q713 VanDerWaalsContact CE-NE2 3.32Å |
| 714 | T | 91.9 | Very high | 87.5 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 157.5 | -178.5 | -160.1 | 0 | 0 | 0 | 0 | 110.6 | V652 Q680 N683 L685 L716 | V652-T714 PolarHBondContact N-O 2.88Å; V652-T714 PolarHBondContact O-N 2.66Å; Q680-T714 PolarHBondContact O-OG1 2.88Å; N683-T714 PolarHBondContact O-OG1 3.25Å; L685-T714 HydrophobicContact CD1-CG2 3.62Å; L685-T714 HydrophobicContact CG-CG2 4.13Å; T714-L716 HydrophobicContact CG2-CD2 4.27Å |
| 715 | G | 92.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L650 C679 Q680 | L650-G715 CarbonylContact O-C 3.56Å; L650-G715 WeakPolarHBondContact O-CA 3.49Å; C679-G715 CarbonylContact C-O 3.57Å; C679-G715 WeakPolarHBondContact CA-O 3.26Å; Q680-G715 PolarHBondContact N-O 2.95Å; Q680-G715 WeakPolarHBondContact O-CA 3.37Å; Q680-G715 PolarHBondContact O-N 3.05Å |
| 716 | L | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.2 | 173.8 | -56.9 | 179.4 | 0 | 0 | 0 | 109 | L650 V652 L666 V668 F676 C679 T714 F718 | L650-L716 PolarHBondContact N-O 2.73Å; L650-L716 PolarHBondContact O-N 2.91Å; V652-L716 HydrophobicContact CG2-CD1 3.94Å; V652-L716 HydrophobicContact CG2-CG 4.21Å; L666-L716 HydrophobicContact CD2-CD1 3.98Å; V668-L716 HydrophobicContact CG2-CD1 3.85Å; F676-L716 HydrophobicContact CE2-CB 4.49Å; F676-L716 HydrophobicContact CE2-CD2 4.19Å; C679-L716 WeakPolarHBondContact SG-CD2 3.48Å; T714-L716 HydrophobicContact CG2-CD2 4.27Å; L716-F718 HydrophobicContact CB-CD2 4.47Å; L716-F718 HydrophobicContact CB-CE2 3.49Å; L716-F718 VanDerWaalsContact CB-CE2 3.49Å; L716-F718 HydrophobicContact CB-CZ 3.66Å; L716-F718 HydrophobicContact CD1-CZ 4.15Å; L716-F718 WeakPolarHBondContact O-CD2 3.45Å; L716-F718 WeakPolarHBondContact O-CE2 3.36Å |
| 717 | L | 93.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129 | -179.7 | -168 | 71.7 | 0 | 0 | 0 | 110.3 | L649 Q677 S678 | L649-L717 HydrophobicContact CB-CD1 4.01Å; L649-L717 HydrophobicContact CD1-CB 4.34Å; L649-L717 HydrophobicContact CD1-CD1 4.21Å; Q677-L717 HydrophobicContact CB-CB 4.45Å; Q677-L717 HydrophobicContact CB-CD2 4.29Å; Q677-L717 HydrophobicContact CB-CG 4.39Å; Q677-L717 PolarHBondContact N-O 3.25Å; S678-L717 PolarHBondContact N-O 3.48Å; S678-L717 WeakPolarHBondContact O-CB 3.04Å; S678-L717 PolarHBondContact O-N 2.95Å |
| 718 | F | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.2 | 179.5 | -58.4 | -80.8 | 0 | 0 | 0 | 110.8 | S647 L648 L650 V668 L670 T674 H675 F676 V698 L716 F732 | S647-F718 CarbonylContact C-O 3.55Å; S647-F718 VanDerWaalsContact CA-O 3.24Å; S647-F718 WeakPolarHBondContact CA-O 3.44Å; L648-F718 PolarHBondContact N-O 2.95Å; L648-F718 PolarHBondContact O-N 2.89Å; L650-F718 HydrophobicContact CB-CE2 4.18Å; L650-F718 HydrophobicContact CD1-CD2 4.19Å; L650-F718 HydrophobicContact CD1-CE2 3.67Å; L650-F718 HydrophobicContact CG-CD2 4.11Å; L650-F718 HydrophobicContact CG-CE2 3.87Å; V668-F718 HydrophobicContact CG1-CZ 4.16Å; L670-F718 HydrophobicContact CD1-CD1 4.44Å; L670-F718 HydrophobicContact CD1-CE1 4.48Å; L670-F718 HydrophobicContact CD2-CD1 3.78Å; L670-F718 HydrophobicContact CD2-CE1 3.38Å; L670-F718 HydrophobicContact CD2-CZ 4.11Å; T674-F718 HydrophobicContact CG2-CB 3.99Å; T674-F718 HydrophobicContact CG2-CD1 4.36Å; T674-F718 HydrophobicContact CG2-CG 4.42Å; H675-F718 CarbonylContact O-C 3.47Å; H675-F718 WeakPolarHBondContact O-CA 3.3Å; F676-F718 HydrophobicContact CB-CD1 4.19Å; F676-F718 HydrophobicContact CB-CE1 4.13Å; F676-F718 HydrophobicContact CD2-CD1 4.17Å; F676-F718 AromaticContact CD2-CE1 3.71Å; F676-F718 HydrophobicContact CD2-CE1 3.71Å; F676-F718 HydrophobicContact CD2-CZ 4.26Å; F676-F718 HydrophobicContact CG-CE1 4.4Å; V698-F718 HydrophobicContact CG2-CE1 4.29Å; L716-F718 HydrophobicContact CB-CD2 4.47Å; L716-F718 HydrophobicContact CB-CE2 3.49Å; L716-F718 VanDerWaalsContact CB-CE2 3.49Å; L716-F718 HydrophobicContact CB-CZ 3.66Å; L716-F718 HydrophobicContact CD1-CZ 4.15Å; L716-F718 WeakPolarHBondContact O-CD2 3.45Å; L716-F718 WeakPolarHBondContact O-CE2 3.36Å; F718-F732 HydrophobicContact CD1-CE1 4.39Å; F718-F732 HydrophobicContact CD2-CE1 4.09Å; F718-F732 HydrophobicContact CE2-CE1 4.38Å; F718-F732 HydrophobicContact CG-CE1 4.1Å |
| 719 | S | 91.4 | Very high | 86.7 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.8 | 162.5 | -149.5 | 0 | 0 | 0 | 0 | 108.1 | T674 H675 Q677 | T674-S719 CarbonylContact C-O 3.56Å; T674-S719 WeakPolarHBondContact CA-O 3.29Å; H675-S719 PolarHBondContact N-O 2.9Å; H675-S719 PolarHBondContact O-N 2.85Å; Q677-S719 PolarHBondContact NE2-OG 3.11Å |
| 720 | V | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.9 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 108 | V640 D645 Q646 L648 T674 L723 I730 F732 | V640-V720 HydrophobicContact CG1-CG1 4.43Å; D645-V720 CarbonylContact C-O 3.55Å; D645-V720 WeakPolarHBondContact CA-O 3.23Å; Q646-V720 PolarHBondContact N-O 2.9Å; Q646-V720 PolarHBondContact O-N 2.88Å; L648-V720 HydrophobicContact CB-CG2 4.07Å; L648-V720 HydrophobicContact CD2-CG2 4.29Å; T674-V720 HydrophobicContact CG2-CG2 3.91Å; V720-L723 HydrophobicContact CG1-CD1 3.9Å; V720-L723 HydrophobicContact CG1-CD2 3.83Å; V720-L723 HydrophobicContact CG1-CG 4.18Å; V720-I730 HydrophobicContact CG1-CD1 3.7Å; V720-I730 HydrophobicContact CG2-CD1 4.18Å; V720-F732 HydrophobicContact CG2-CZ 4.48Å |
| 721 | G | 84.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -143.2 | -178 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | D645 H673 L723 | D645-G721 VanDerWaalsContact OD1-CA 3.25Å; D645-G721 WeakPolarHBondContact OD1-CA 3.4Å; H673-G721 WeakPolarHBondContact CB-O 3.48Å; H673-G721 PolarHBondContact O-N 2.74Å; H673-G721 VanDerWaalsContact O-N 3.15Å; G721-L723 PolarHBondContact O-N 2.81Å | ||
| 722 | N | 77.2 | Confident | 87 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | trans | 48 | 58.2 | 172.9 | -154.2 | 60.4 | 0 | 0 | 0 | 113.4 | H673 E724 | H673-N722 HydrophobicContact CB-CB 4.06Å; H673-N722 PolarHBondContact CD2-O 3.32Å; H673-N722 PolarHBondContact CE1-ND2 3.1Å; N722-E724 WeakPolarHBondContact CA-OE2 3.43Å; N722-E724 PolarHBondContact OD1-OE2 2.9Å | ||
| 723 | L | 80.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -99.8 | 13 | -170.7 | -64.9 | 177.6 | 0 | 0 | 0 | 113.7 | V640 I642 V720 G721 E725 V726 I730 V755 | V640-L723 HydrophobicContact CB-CD1 4.37Å; V640-L723 HydrophobicContact CG1-CD1 3.63Å; I642-L723 HydrophobicContact CG1-CB 4.09Å; V720-L723 HydrophobicContact CG1-CD1 3.9Å; V720-L723 HydrophobicContact CG1-CD2 3.83Å; V720-L723 HydrophobicContact CG1-CG 4.18Å; G721-L723 PolarHBondContact O-N 2.81Å; L723-E725 VanDerWaalsContact C-N 3.29Å; L723-E725 PolarHBondContact O-N 2.87Å; L723-V726 HydrophobicContact CB-CG2 4.34Å; L723-V726 HydrophobicContact CD2-CG2 3.85Å; L723-V726 WeakPolarHBondContact O-CB 3.2Å; L723-V726 PolarHBondContact O-N 3.13Å; L723-I730 HydrophobicContact CD2-CG2 3.87Å; L723-V755 HydrophobicContact CB-CG1 4.24Å; L723-V755 HydrophobicContact CD1-CG1 4.17Å; L723-V755 HydrophobicContact CD1-CG2 4.24Å | ||
| 724 | E | 74.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 35.3 Ų | 35.3 | 27% | 0.271 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32.3 | -171 | -62.7 | 69 | -147.3 | 0 | 0 | 112.2 | I642 N722 S952 K953 | I642-E724 HydrophobicContact CG2-CG 4.11Å; N722-E724 WeakPolarHBondContact CA-OE2 3.43Å; N722-E724 PolarHBondContact OD1-OE2 2.9Å; E724-S952 WeakPolarHBondContact O-CA 3.45Å; E724-K953 PolarHBondContact O-N 3.33Å |
| 725 | E | 74.9 | Confident | 87.5 | Confident | 157 Ų | 157 | 39.2 Ų | 39.2 | 73% | 0.734 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -9.6 | 180 | -61.1 | -160.1 | 166.9 | 0 | 0 | 114.3 | L723 K953 | L723-E725 VanDerWaalsContact C-N 3.29Å; L723-E725 PolarHBondContact O-N 2.87Å; E725-K953 WeakPolarHBondContact O-CD 3.47Å; E725-K953 WeakPolarHBondContact O-CE 3.4Å; E725-K953 PolarHBondContact O-NZ 3.47Å |
| 726 | V | 80.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | trans | -73 | 137 | -177.6 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | L723 I730 V755 | L723-V726 HydrophobicContact CB-CG2 4.34Å; L723-V726 HydrophobicContact CD2-CG2 3.85Å; L723-V726 WeakPolarHBondContact O-CB 3.2Å; L723-V726 PolarHBondContact O-N 3.13Å; V726-I730 HydrophobicContact CG1-CG2 4.16Å; V726-I730 HydrophobicContact CG2-CG2 4.44Å; V726-V755 HydrophobicContact CG1-CG2 4.03Å | ||
| 727 | E | 77.3 | Confident | 87.6 | Confident | 152 Ų | 152 | 44.6 Ų | 44.6 | 71% | 0.71 | 22% | 0.22 | S | C | * | . | trans | -76.5 | -46.5 | -174.8 | -66.3 | -173.3 | 164.9 | 0 | 0 | 114.2 | K953 V954 | E727-K953 HydrophobicContact CG-CD 4.46Å; E727-V954 WeakPolarHBondContact O-CG2 3.23Å | ||
| 728 | S | 84.3 | Confident | 87.4 | Confident | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -159.2 | -31.8 | -175.8 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | Q754 V755 | S728-Q754 PolarHBondContact O-OE1 3.17Å; S728-V755 PolarHBondContact O-N 3.25Å |
| 729 | H | 88.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.7 | -177.2 | 62.2 | -72.4 | 0 | 0 | 0 | 111.6 | K752 V753 | H729-K752 PolarHBondContact NE2-NZ 3.41Å; H729-V753 CarbonylContact C-O 3.59Å; H729-V753 WeakPolarHBondContact CA-O 3.32Å; H729-V753 VanDerWaalsContact CB-O 3.29Å; H729-V753 WeakPolarHBondContact CB-O 3.41Å |
| 730 | I | 90.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 152.8 | 166.9 | 64.5 | -179.9 | 0 | 0 | 0 | 109.7 | P671 V720 L723 V726 F732 K752 V753 V755 | P671-I730 HydrophobicContact CB-CB 4.17Å; P671-I730 HydrophobicContact CG-CB 4.02Å; P671-I730 HydrophobicContact CG-CD1 4.4Å; V720-I730 HydrophobicContact CG1-CD1 3.7Å; V720-I730 HydrophobicContact CG2-CD1 4.18Å; L723-I730 HydrophobicContact CD2-CG2 3.87Å; V726-I730 HydrophobicContact CG1-CG2 4.16Å; V726-I730 HydrophobicContact CG2-CG2 4.44Å; I730-F732 HydrophobicContact CD1-CE2 3.87Å; I730-F732 HydrophobicContact CD1-CZ 4.32Å; I730-F732 HydrophobicContact CG1-CE2 4.15Å; I730-K752 WeakPolarHBondContact O-CA 3.35Å; I730-V753 HydrophobicContact CD1-CB 4.39Å; I730-V753 HydrophobicContact CG1-CB 3.9Å; I730-V753 PolarHBondContact N-O 2.96Å; I730-V753 PolarHBondContact O-N 2.97Å; I730-V755 HydrophobicContact CG2-CG2 4.08Å |
| 731 | T | 91.8 | Very high | 85.8 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.4 | -174.1 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | T750 V751 | T731-T750 HydrophobicContact CG2-CG2 3.22Å; T731-V751 WeakPolarHBondContact CA-O 3.34Å |
| 732 | F | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.7 | 169.4 | -64.8 | -97.3 | 0 | 0 | 0 | 109.6 | L648 L650 V668 L670 P671 T674 F718 V720 I730 L734 T750 V751 V753 | L648-F732 HydrophobicContact CD2-CD2 4.41Å; L648-F732 HydrophobicContact CD2-CE2 3.38Å; L648-F732 HydrophobicContact CD2-CZ 3.59Å; L650-F732 HydrophobicContact CD1-CB 4.05Å; L650-F732 HydrophobicContact CD1-CD1 3.8Å; L650-F732 HydrophobicContact CD1-CD2 4.15Å; L650-F732 HydrophobicContact CD1-CE1 4.27Å; L650-F732 HydrophobicContact CD1-CG 3.72Å; V668-F732 HydrophobicContact CG1-CD1 4.43Å; L670-F732 HydrophobicContact CD2-CD1 4.1Å; L670-F732 HydrophobicContact CD2-CE1 4.03Å; P671-F732 HydrophobicContact CG-CE1 4.21Å; P671-F732 HydrophobicContact CG-CE2 4.17Å; P671-F732 HydrophobicContact CG-CZ 3.99Å; T674-F732 HydrophobicContact CG2-CE1 3.89Å; T674-F732 HydrophobicContact CG2-CZ 3.96Å; F718-F732 HydrophobicContact CD1-CE1 4.39Å; F718-F732 HydrophobicContact CD2-CE1 4.09Å; F718-F732 HydrophobicContact CE2-CE1 4.38Å; F718-F732 HydrophobicContact CG-CE1 4.1Å; V720-F732 HydrophobicContact CG2-CZ 4.48Å; I730-F732 HydrophobicContact CD1-CE2 3.87Å; I730-F732 HydrophobicContact CD1-CZ 4.32Å; I730-F732 HydrophobicContact CG1-CE2 4.15Å; F732-L734 HydrophobicContact CB-CD1 4.04Å; F732-T750 CarbonylContact O-C 3.56Å; F732-T750 WeakPolarHBondContact O-CA 3.36Å; F732-V751 HydrophobicContact CB-CB 4.33Å; F732-V751 PolarHBondContact N-O 3.08Å; F732-V751 PolarHBondContact O-N 3.29Å; F732-V753 HydrophobicContact CE2-CG2 4.41Å |
| 733 | S | 94.2 | Very high | 86.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.1 | 176.8 | -177 | 0 | 0 | 0 | 0 | 110.5 | V668 Q669 H748 | V668-S733 CarbonylContact C-O 3.57Å; V668-S733 WeakPolarHBondContact CA-O 3.02Å; Q669-S733 PolarHBondContact N-O 3.16Å; Q669-S733 PolarHBondContact O-N 3.13Å; S733-H748 PolarHBondContact OG-CE1 3.05Å; S733-H748 PolarHBondContact OG-NE2 2.9Å |
| 734 | L | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.8 | -173 | -55.7 | 88.6 | 0 | 0 | 0 | 111.5 | L631 A633 V652 L666 V667 V668 F732 V749 V751 | L631-L734 HydrophobicContact CD2-CB 3.76Å; A633-L734 HydrophobicContact CB-CD1 4.27Å; A633-L734 HydrophobicContact CB-CD2 3.91Å; V652-L734 HydrophobicContact CG2-CD2 3.92Å; L666-L734 HydrophobicContact CD1-CB 4.49Å; V667-L734 WeakPolarHBondContact O-CA 3.34Å; V668-L734 HydrophobicContact CB-CG 4.45Å; V668-L734 HydrophobicContact CG1-CD2 4.34Å; V668-L734 HydrophobicContact CG1-CG 4.06Å; V668-L734 HydrophobicContact CG2-CD2 3.79Å; V668-L734 HydrophobicContact CG2-CG 4.01Å; F732-L734 HydrophobicContact CB-CD1 4.04Å; L734-V749 HydrophobicContact CB-CB 4.45Å; L734-V749 PolarHBondContact N-O 3.35Å; L734-V749 PolarHBondContact O-N 3.48Å; L734-V751 HydrophobicContact CD1-CG2 4.05Å |
| 735 | R | 95.4 | Very high | 87.4 | Confident | 93 Ų | 93 | 58 Ų | 58 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 146.6 | 173.6 | -164.7 | 172.1 | -168 | 165.2 | -3.2 | 111.6 | V667 S745 S746 | V667-R735 PolarHBondContact N-O 3.36Å; V667-R735 PolarHBondContact O-N 3.45Å; R735-S745 PolarHBondContact NH2-OG 3.1Å; R735-S746 PolarHBondContact NE-O 2.95Å; R735-S746 PolarHBondContact NH2-O 3.23Å |
| 736 | I | 95.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.3 | 169.3 | -53.4 | 170.6 | 0 | 0 | 0 | 109.1 | L629 L631 A654 T664 E665 L666 L702 S745 S746 | L629-I736 HydrophobicContact CD1-CG2 3.9Å; L629-I736 HydrophobicContact CD2-CG2 4.41Å; L631-I736 HydrophobicContact CB-CD1 3.97Å; L631-I736 HydrophobicContact CB-CG1 4.13Å; L631-I736 HydrophobicContact CD1-CD1 4.08Å; L631-I736 HydrophobicContact CD1-CG1 4.03Å; L631-I736 HydrophobicContact CD2-CG1 4.26Å; L631-I736 HydrophobicContact CG-CG1 4.37Å; A654-I736 HydrophobicContact CB-CD1 3.62Å; T664-I736 HydrophobicContact CG2-CG2 3.29Å; E665-I736 CarbonylContact O-C 3.49Å; E665-I736 WeakPolarHBondContact O-CA 3.34Å; E665-I736 WeakPolarHBondContact O-CG2 3.48Å; L666-I736 HydrophobicContact CD1-CG1 4.3Å; L702-I736 HydrophobicContact CD1-CD1 4.07Å; L702-I736 HydrophobicContact CD1-CG1 3.97Å; L702-I736 HydrophobicContact CD1-CG2 3.83Å; I736-S745 VanDerWaalsContact O-CA 3.29Å; I736-S745 WeakPolarHBondContact O-CA 3.11Å; I736-S746 PolarHBondContact N-OG 3.23Å; I736-S746 PolarHBondContact O-N 3.03Å |
| 737 | R | 92.7 | Very high | 88.9 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.438 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.8 | 171.2 | -65.3 | -175 | 176.6 | 165.2 | -1.7 | 110 | T664 E665 V667 S744 | T664-R737 CarbonylContact C-O 3.48Å; T664-R737 WeakPolarHBondContact CA-O 3.26Å; E665-R737 HydrophobicContact CG-CB 4.09Å; E665-R737 PolarHBondContact N-O 2.81Å; E665-R737 PolarHBondContact O-N 3.16Å; V667-R737 HydrophobicContact CG2-CB 4.5Å; V667-R737 HydrophobicContact CG2-CG 4.16Å; R737-S744 CarbonylContact C-O 3.53Å |
| 738 | S | 89.7 | Confident | 89.7 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | trans | -127.5 | 169.5 | 166.6 | 79.1 | 0 | 0 | 0 | 0 | 109.8 | Y662 N740 S744 | Y662-S738 WeakPolarHBondContact O-CB 3Å; S738-N740 PolarHBondContact OG-N 3.41Å; S738-N740 PolarHBondContact OG-OD1 3.35Å; S738-S744 PolarHBondContact N-O 2.94Å; S738-S744 WeakPolarHBondContact O-CB 3Å; S738-S744 WeakPolarHBondContact OG-CA 3.44Å | ||
| 739 | K | 82.7 | Confident | 90.3 | Very high | 127 Ų | 127 | 49.2 Ų | 49.2 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | trans | -96.4 | 16.6 | 177.6 | -68.5 | -71.6 | -173.4 | 176.4 | 0 | 113 | R614 Y662 E663 | R614-K739 PolarHBondContact NH2-O 3.27Å; Y662-K739 PolarHBondContact O-N 2.84Å; E663-K739 HydrophobicContact CB-CB 4.48Å; E663-K739 HydrophobicContact CB-CG 4.03Å | ||
| 740 | N | 81.6 | Confident | 90.6 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | trans | -68 | 152.5 | 175.7 | -65.3 | 68.8 | 0 | 0 | 0 | 110.2 | C625 P627 G660 A661 Y662 S738 V742 S744 | C625-N740 WeakPolarHBondContact CB-ND2 3.47Å; C625-N740 PolarHBondContact O-ND2 3.13Å; P627-N740 HydrophobicContact CG-CB 4.09Å; G660-N740 PolarHBondContact O-ND2 3.13Å; G660-N740 VanDerWaalsContact O-ND2 3.07Å; A661-N740 WeakPolarHBondContact CA-OD1 3.42Å; Y662-N740 PolarHBondContact N-OD1 2.96Å; S738-N740 PolarHBondContact OG-N 3.41Å; S738-N740 PolarHBondContact OG-OD1 3.35Å; N740-V742 VanDerWaalsContact C-N 3.34Å; N740-S744 VanDerWaalsContact O-CB 3.23Å; N740-S744 WeakPolarHBondContact O-CB 3.28Å | ||
| 741 | S | 76.6 | Confident | 90.8 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 67% | 0.671 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -74.7 | -26.6 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 742 | V | 81.8 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -122.9 | 140.2 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | I624 I626 P627 N740 S744 | I624-V742 HydrophobicContact CG2-CG2 4.15Å; I626-V742 HydrophobicContact CD1-CG1 4.43Å; I626-V742 HydrophobicContact CG1-CB 4.23Å; I626-V742 HydrophobicContact CG1-CG1 4.26Å; I626-V742 HydrophobicContact CG2-CG1 4.12Å; P627-V742 WeakPolarHBondContact CD-O 3.47Å; N740-V742 VanDerWaalsContact C-N 3.34Å; V742-S744 VanDerWaalsContact C-N 3.32Å; V742-S744 PolarHBondContact O-N 3.22Å |
| 743 | N | 87.6 | Confident | 90.7 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 49.8 | 43.2 | 177.3 | -153.1 | 30.2 | 0 | 0 | 0 | 115.4 | I626 P627 S745 | I626-N743 HydrophobicContact CG2-CB 4.25Å; P627-N743 WeakPolarHBondContact CG-O 3.08Å; P627-N743 PolarHBondContact O-ND2 3.35Å; N743-S745 PolarHBondContact O-N 3.25Å; N743-S745 VanDerWaalsContact O-N 3.11Å |
| 744 | S | 88.3 | Confident | 90.5 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | trans | -75.9 | 6.6 | -169.7 | 60.7 | 0 | 0 | 0 | 0 | 116.4 | R737 S738 N740 V742 | R737-S744 CarbonylContact C-O 3.53Å; S738-S744 PolarHBondContact N-O 2.94Å; S738-S744 WeakPolarHBondContact O-CB 3Å; S738-S744 WeakPolarHBondContact OG-CA 3.44Å; N740-S744 VanDerWaalsContact O-CB 3.23Å; N740-S744 WeakPolarHBondContact O-CB 3.28Å; V742-S744 VanDerWaalsContact C-N 3.32Å; V742-S744 PolarHBondContact O-N 3.22Å | ||
| 745 | S | 92.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 57 Ų | 57 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -147.6 | 149 | -176.3 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | R735 I736 N743 | R735-S745 PolarHBondContact NH2-OG 3.1Å; I736-S745 VanDerWaalsContact O-CA 3.29Å; I736-S745 WeakPolarHBondContact O-CA 3.11Å; N743-S745 PolarHBondContact O-N 3.25Å; N743-S745 VanDerWaalsContact O-N 3.11Å |
| 746 | S | 94.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | trans | -80.4 | 178.4 | 174 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | L629 R735 I736 | L629-S746 VanDerWaalsContact O-CA 3.26Å; L629-S746 WeakPolarHBondContact O-CA 3.46Å; L629-S746 WeakPolarHBondContact O-CB 3.12Å; R735-S746 PolarHBondContact NE-O 2.95Å; R735-S746 PolarHBondContact NH2-O 3.23Å; I736-S746 PolarHBondContact N-OG 3.23Å; I736-S746 PolarHBondContact O-N 3.03Å | ||
| 747 | N | 93.6 | Very high | 89.1 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | trans | -55.2 | 150.8 | 160 | 64.9 | -64 | 0 | 0 | 0 | 111.9 | L631 V749 | L631-N747 PolarHBondContact N-OD1 3.01Å; L631-N747 PolarHBondContact O-ND2 2.98Å; L631-N747 PolarHBondContact O-OD1 3.47Å; N747-V749 WeakPolarHBondContact ND2-CG2 3.45Å | ||
| 748 | H | 94.1 | Very high | 88.6 | Confident | 105 Ų | 105 | 57 Ų | 57 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | trans | -87.6 | 131.4 | 175.9 | -171.3 | -88.4 | 0 | 0 | 0 | 110.1 | S733 T750 | S733-H748 PolarHBondContact OG-CE1 3.05Å; S733-H748 PolarHBondContact OG-NE2 2.9Å; H748-T750 PolarHBondContact CE1-OG1 3.17Å; H748-T750 PolarHBondContact ND1-OG1 3.29Å | ||
| 749 | V | 96.1 | Very high | 88.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.1 | -180 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L631 A633 L734 N747 V751 | L631-V749 HydrophobicContact CB-CG2 4.18Å; L631-V749 HydrophobicContact CD2-CB 4.38Å; L631-V749 HydrophobicContact CD2-CG2 4.09Å; L631-V749 HydrophobicContact CG-CG2 3.98Å; L631-V749 WeakPolarHBondContact O-CG2 3.38Å; A633-V749 HydrophobicContact CB-CG1 4.01Å; L734-V749 HydrophobicContact CB-CB 4.45Å; L734-V749 PolarHBondContact N-O 3.35Å; L734-V749 PolarHBondContact O-N 3.48Å; N747-V749 WeakPolarHBondContact ND2-CG2 3.45Å; V749-V751 HydrophobicContact CG1-CG2 4.36Å |
| 750 | T | 94.9 | Very high | 88.2 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.2 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | T731 F732 H748 | T731-T750 HydrophobicContact CG2-CG2 3.22Å; F732-T750 CarbonylContact O-C 3.56Å; F732-T750 WeakPolarHBondContact O-CA 3.36Å; H748-T750 PolarHBondContact CE1-OG1 3.17Å; H748-T750 PolarHBondContact ND1-OG1 3.29Å |
| 751 | V | 93.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.2 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | A633 P635 L650 T731 F732 L734 V749 V753 | A633-V751 HydrophobicContact CB-CG2 3.95Å; P635-V751 HydrophobicContact CB-CG1 4.14Å; P635-V751 HydrophobicContact CG-CG1 3.85Å; L650-V751 HydrophobicContact CD2-CG1 4.11Å; T731-V751 WeakPolarHBondContact CA-O 3.34Å; F732-V751 HydrophobicContact CB-CB 4.33Å; F732-V751 PolarHBondContact N-O 3.08Å; F732-V751 PolarHBondContact O-N 3.29Å; L734-V751 HydrophobicContact CD1-CG2 4.05Å; V749-V751 HydrophobicContact CG1-CG2 4.36Å; V751-V753 HydrophobicContact CG1-CG2 4.27Å |
| 752 | K | 92.4 | Very high | 88.7 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.3 | 177 | -64.6 | -173.4 | 173.1 | -156.9 | 0 | 109.7 | H729 I730 | H729-K752 PolarHBondContact NE2-NZ 3.41Å; I730-K752 WeakPolarHBondContact O-CA 3.35Å |
| 753 | V | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.1 | 176.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | P635 V640 L648 H729 I730 F732 V751 | P635-V753 HydrophobicContact CB-CG2 4.03Å; P635-V753 HydrophobicContact CG-CG2 4.34Å; V640-V753 HydrophobicContact CG2-CG1 3.79Å; L648-V753 HydrophobicContact CD1-CG1 4.22Å; L648-V753 HydrophobicContact CD1-CG2 4.4Å; L648-V753 HydrophobicContact CD2-CG1 4.43Å; L648-V753 HydrophobicContact CD2-CG2 3.93Å; H729-V753 CarbonylContact C-O 3.59Å; H729-V753 WeakPolarHBondContact CA-O 3.32Å; H729-V753 VanDerWaalsContact CB-O 3.29Å; H729-V753 WeakPolarHBondContact CB-O 3.41Å; I730-V753 HydrophobicContact CD1-CB 4.39Å; I730-V753 HydrophobicContact CG1-CB 3.9Å; I730-V753 PolarHBondContact N-O 2.96Å; I730-V753 PolarHBondContact O-N 2.97Å; F732-V753 HydrophobicContact CE2-CG2 4.41Å; V751-V753 HydrophobicContact CG1-CG2 4.27Å |
| 754 | Q | 90.4 | Very high | 88.6 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 145 | -175.1 | -60.9 | -64.9 | -33.9 | 0 | 0 | 110.8 | D638 S639 V640 S728 | D638-Q754 PolarHBondContact O-N 3.27Å; S639-Q754 CarbonylContact C-O 3.57Å; S639-Q754 WeakPolarHBondContact CA-O 3.35Å; S639-Q754 WeakPolarHBondContact CB-O 3.31Å; V640-Q754 PolarHBondContact N-O 3.4Å; S728-Q754 PolarHBondContact O-OE1 3.17Å |
| 755 | V | 88.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.5 | 176 | -179.5 | 0 | 0 | 0 | 0 | 109 | V640 I642 L723 V726 S728 I730 | V640-V755 WeakPolarHBondContact O-CA 3.16Å; I642-V755 HydrophobicContact CD1-CG1 3.66Å; I642-V755 HydrophobicContact CG1-CG1 3.33Å; L723-V755 HydrophobicContact CB-CG1 4.24Å; L723-V755 HydrophobicContact CD1-CG1 4.17Å; L723-V755 HydrophobicContact CD1-CG2 4.24Å; V726-V755 HydrophobicContact CG1-CG2 4.03Å; S728-V755 PolarHBondContact O-N 3.25Å; I730-V755 HydrophobicContact CG2-CG2 4.08Å |
| 756 | K | 85.2 | Confident | 87.8 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.8 | 179.7 | -67.3 | 178.7 | -179 | 169.6 | 0 | 110.8 | V640 L641 I642 | V640-K756 PolarHBondContact O-N 2.88Å; L641-K756 CarbonylContact C-O 3.57Å; L641-K756 VanDerWaalsContact CA-O 3.24Å; L641-K756 WeakPolarHBondContact CA-O 3.38Å; L641-K756 HydrophobicContact CD2-CB 4Å; I642-K756 PolarHBondContact N-O 3.35Å |
| 757 | A | 82.5 | Confident | 87.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | trans | -105.1 | 136 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I642 S807 V954 P956 | I642-A757 HydrophobicContact CD1-CB 4.4Å; A757-S807 WeakPolarHBondContact CA-OG 3.35Å; A757-V954 HydrophobicContact CB-CG1 4.32Å; A757-P956 HydrophobicContact CB-CB 4.32Å; A757-P956 WeakPolarHBondContact O-CA 3.41Å | ||
| 758 | E | 81.9 | Confident | 86.4 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | trans | -143 | 128.7 | 177.5 | -174 | 174.9 | 178.1 | 0 | 0 | 109.7 | L641 P806 S807 | L641-E758 HydrophobicContact CD2-CB 4.41Å; E758-P806 VanDerWaalsContact O-CD 3.27Å; E758-P806 WeakPolarHBondContact O-CD 2.98Å; E758-P806 WeakPolarHBondContact O-CG 3.39Å; E758-S807 PolarHBondContact N-OG 3Å; E758-S807 VanDerWaalsContact O-CB 3.24Å; E758-S807 WeakPolarHBondContact O-CB 3.05Å; E758-S807 PolarHBondContact O-N 3.33Å; E758-S807 PolarHBondContact O-OG 3.05Å | ||
| 759 | A | 80.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | trans | -133.3 | 140.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V809 | A759-V809 HydrophobicContact CB-CB 4.44Å; A759-V809 HydrophobicContact CB-CG1 3.32Å; A759-V809 HydrophobicContact CB-CG2 4.26Å | ||
| 760 | T | 84.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | trans | -132.4 | 105.4 | -177.7 | -55.5 | 0 | 0 | 0 | 0 | 107.9 | N803 Q804 G805 | T760-N803 PolarHBondContact O-OD1 3.19Å; T760-Q804 WeakPolarHBondContact O-CB 3.19Å; T760-Q804 PolarHBondContact O-N 2.88Å; T760-G805 PolarHBondContact O-N 3.05Å | ||
| 761 | L | 82.3 | Confident | 83.3 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140.1 | -178 | -62.5 | -175.6 | 0 | 0 | 0 | 111.6 | I801 R802 N803 V809 A811 L909 Y945 V947 | L761-I801 HydrophobicContact CD1-CD1 4.06Å; L761-R802 WeakPolarHBondContact CA-O 3.18Å; L761-N803 HydrophobicContact CD2-CB 3.48Å; L761-N803 VanDerWaalsContact CD2-CB 3.48Å; L761-V809 HydrophobicContact CD1-CG2 4.05Å; L761-V809 HydrophobicContact CD2-CG2 3.82Å; L761-V809 HydrophobicContact CG-CG2 4.24Å; L761-A811 HydrophobicContact CD1-CB 3.86Å; L761-L909 HydrophobicContact CD2-CD2 3.9Å; L761-Y945 HydrophobicContact CB-CD2 4.2Å; L761-Y945 HydrophobicContact CB-CE1 4.2Å; L761-Y945 HydrophobicContact CB-CE2 3.54Å; L761-Y945 HydrophobicContact CD1-CD2 3.78Å; L761-Y945 HydrophobicContact CD1-CE2 3.77Å; L761-Y945 HydrophobicContact CG-CE2 4.2Å; L761-Y945 PolarHBondContact O-OH 3.01Å; L761-V947 HydrophobicContact CD1-CG2 3.59Å; L761-V947 HydrophobicContact CG-CG2 4.37Å |
| 762 | E | 85.1 | Confident | 82.2 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.3 | 174 | -173.5 | -176.5 | 178.4 | 0 | 0 | 109.1 | R764 I801 R802 Q804 | E762-R764 IonicContact OE1-CZ 3.35Å; E762-R764 IonicContact OE1-NE 2.83Å; E762-R764 PolarHBondContact OE1-NE 2.82Å; E762-R764 IonicContact OE1-NH2 3.38Å; E762-R764 PolarHBondContact OE1-NH2 2.96Å; E762-R764 IonicContact OE2-CZ 2.97Å; E762-R764 IonicContact OE2-NE 3.07Å; E762-R764 IonicContact OE2-NH2 3.87Å; E762-R764 PolarHBondContact OE2-NH2 2.86Å; E762-I801 CarbonylContact O-C 3.46Å; E762-I801 WeakPolarHBondContact O-CA 3.5Å; E762-R802 PolarHBondContact N-O 3.23Å; E762-R802 PolarHBondContact O-N 3.47Å; E762-Q804 HydrophobicContact CB-CG 4.39Å; E762-Q804 PolarHBondContact OE2-NE2 2.83Å |
| 763 | I | 84.1 | Confident | 81.1 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.7 | 175.5 | -171.9 | 175.9 | 0 | 0 | 0 | 110.6 | E800 L813 A943 Y945 T964 | I763-E800 CarbonylContact C-O 3.57Å; I763-E800 WeakPolarHBondContact CA-O 3.04Å; I763-L813 HydrophobicContact CD1-CD1 3.39Å; I763-A943 HydrophobicContact CD1-CB 3.68Å; I763-Y945 HydrophobicContact CB-CD1 3.84Å; I763-Y945 HydrophobicContact CB-CE1 4.11Å; I763-Y945 HydrophobicContact CD1-CD1 4.42Å; I763-Y945 HydrophobicContact CG2-CD1 3.79Å; I763-Y945 HydrophobicContact CG2-CE1 3.85Å; I763-T964 HydrophobicContact CD1-CG2 3.96Å; I763-T964 HydrophobicContact CG1-CG2 3.86Å; I763-T964 HydrophobicContact CG2-CG2 4.08Å |
| 764 | R | 83.9 | Confident | 79.9 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.7 | 178.3 | -62.1 | -178.9 | 178.1 | -178.9 | 1.8 | 109.8 | E762 Y799 E800 | E762-R764 IonicContact OE1-CZ 3.35Å; E762-R764 IonicContact OE1-NE 2.83Å; E762-R764 PolarHBondContact OE1-NE 2.82Å; E762-R764 IonicContact OE1-NH2 3.38Å; E762-R764 PolarHBondContact OE1-NH2 2.96Å; E762-R764 IonicContact OE2-CZ 2.97Å; E762-R764 IonicContact OE2-NE 3.07Å; E762-R764 IonicContact OE2-NH2 3.87Å; E762-R764 PolarHBondContact OE2-NH2 2.86Å; R764-Y799 CarbonylContact O-C 3.44Å; R764-Y799 WeakPolarHBondContact O-CA 3.36Å; R764-E800 PolarHBondContact N-O 3.04Å; R764-E800 PolarHBondContact O-N 3.25Å |
| 765 | G | 81.1 | Confident | 78.6 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 157.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V798 | G765-V798 CarbonylContact C-O 3.54Å; G765-V798 WeakPolarHBondContact CA-O 3.4Å |
| 766 | G | 81.3 | Confident | 77.5 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 32% | 0.32 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 164.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H797 V798 | G766-H797 WeakPolarHBondContact O-CA 3.04Å; G766-V798 PolarHBondContact N-O 2.9Å; G766-V798 PolarHBondContact O-N 3.31Å |
| 767 | S | 81.7 | Confident | 76.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.9 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | P769 E796 | S767-P769 CarbonylContact C-O 3.59Å; S767-P769 CarbonylContact O-C 3.55Å; S767-P769 PolarHBondContact OG-O 2.95Å; S767-E796 CarbonylContact C-O 3.58Å; S767-E796 VanDerWaalsContact CA-O 3.32Å; S767-E796 WeakPolarHBondContact CA-O 3.33Å |
| 768 | V | 78.6 | Confident | 75.3 | Confident | 86 Ų | 86 | 70 Ų | 70 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.5 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | M795 E796 | V768-M795 CarbonylContact O-C 3.44Å; V768-M795 WeakPolarHBondContact O-CA 3.33Å; V768-E796 PolarHBondContact N-O 2.8Å; V768-E796 PolarHBondContact O-N 2.97Å |
| 769 | P | 75.9 | Confident | 74.5 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | S | Bend | cis | -69 | 161.1 | -7.7 | 32.1 | -36 | 0 | 0 | 0 | 112.3 | S767 E771 I772 L794 | S767-P769 CarbonylContact C-O 3.59Å; S767-P769 CarbonylContact O-C 3.55Å; S767-P769 PolarHBondContact OG-O 2.95Å; P769-E771 VanDerWaalsContact C-N 3.3Å; P769-E771 WeakPolarHBondContact CB-O 3.36Å; P769-I772 HydrophobicContact CG-CD1 4.23Å; P769-I772 HydrophobicContact CG-CG1 3.74Å; P769-L794 WeakPolarHBondContact CD-O 3.4Å |
| 770 | P | 69.4 | Low | 73.6 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -73.1 | -22.7 | 175.4 | 29.8 | -35.1 | 0 | 0 | 0 | 112.9 | W968 | P770-W968 PolarHBondContact O-NE1 3.03Š|
| 771 | E | 72.8 | Confident | 72.5 | Confident | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | trans | -144.4 | 156.3 | 176 | 66.9 | 177.8 | -167.8 | 0 | 0 | 111.9 | P769 W968 | P769-E771 VanDerWaalsContact C-N 3.3Å; P769-E771 WeakPolarHBondContact CB-O 3.36Å; E771-W968 HydrophobicContact CB-CH2 4.43Å; E771-W968 HydrophobicContact CB-CZ2 4.22Å | ||
| 772 | I | 72.3 | Confident | 71.5 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | trans | -137.5 | 117.5 | 178.4 | -61 | 177.4 | 0 | 0 | 0 | 106.7 | P769 P793 M795 L923 W968 | P769-I772 HydrophobicContact CG-CD1 4.23Å; P769-I772 HydrophobicContact CG-CG1 3.74Å; I772-P793 HydrophobicContact CD1-CB 4.38Å; I772-P793 HydrophobicContact CD1-CG 4.01Å; I772-P793 HydrophobicContact CG2-CG 3.8Å; I772-M795 HydrophobicContact CD1-CB 4.4Å; I772-L923 HydrophobicContact CD1-CD2 4.42Å; I772-L923 HydrophobicContact CG2-CD2 4.22Å; I772-W968 HydrophobicContact CB-CZ2 4.04Å; I772-W968 HydrophobicContact CG1-CZ2 4.46Å | ||
| 773 | L | 69.6 | Low | 70 | Confident | 125 Ų | 125 | 73.9 Ų | 73.9 | 65% | 0.654 | 42% | 0.42 | S | S | * | . | trans | -86.9 | 129.3 | 177.4 | -63 | 172.4 | 0 | 0 | 0 | 109.9 | ||||
| 774 | L | 66.3 | Low | 68.9 | Low | 73 Ų | 73 | 77.5 Ų | 77.5 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -108.4 | 138 | 171.7 | -63.9 | 177.5 | 0 | 0 | 0 | 109.6 | H776 L923 I925 F928 | L774-H776 HydrophobicContact CD2-CB 4.5Å; L774-L923 HydrophobicContact CD2-CD2 4.44Å; L774-I925 HydrophobicContact CD2-CD1 4.33Å; L774-I925 HydrophobicContact CD2-CG1 4.07Å; L774-I925 HydrophobicContact CD2-CG2 4.31Å; L774-F928 HydrophobicContact CD1-CB 3.9Å; L774-F928 HydrophobicContact CD1-CD1 4.39Å; L774-F928 HydrophobicContact CD1-CG 4.2Å |
| 775 | P | 62.9 | Low | 67.7 | Low | 117 Ų | 117 | 72 Ų | 72 | 76% | 0.76 | 42% | 0.421 | S | S | * | . | S | Bend | cis | -71.9 | 139.6 | 0.2 | 29.9 | -33.9 | 0 | 0 | 0 | 112.5 | ||
| 776 | H | 64.6 | Low | 66.6 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -70 | 133.7 | -178.9 | -168.3 | 66.7 | 0 | 0 | 0 | 110.3 | L774 D778 W779 I925 | L774-H776 HydrophobicContact CD2-CB 4.5Å; H776-D778 PolarHBondContact O-N 3.07Å; H776-W779 HydrophobicContact CB-CB 4.16Å; H776-W779 PolarHBondContact O-N 3.27Å; H776-I925 HydrophobicContact CB-CD1 3.74Å |
| 777 | P | 60.1 | Low | 65.6 | Low | 89 Ų | 89 | 74.2 Ų | 74.2 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 139.8 | 176.9 | -20.1 | 31 | 0 | 0 | 0 | 110.5 | W779 | P777-W779 PolarHBondContact O-N 3.33Š|
| 778 | D | 61.5 | Low | 64.8 | Low | 170 Ų | 170 | 76.1 Ų | 76.1 | 91% | 0.909 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 1.8 | 176 | -50.2 | -42.1 | 0 | 0 | 0 | 117.2 | H776 | H776-D778 PolarHBondContact O-N 3.07Š|
| 779 | W | 65.8 | Low | 64.2 | Low | 53 Ų | 53 | 78.7 Ų | 78.7 | 20% | 0.201 | 45% | 0.451 | C | S | . | . | trans | -84.7 | 128.2 | 175.2 | -173.5 | 85.6 | 0 | 0 | 0 | 112 | H776 P777 P781 E790 I925 L926 | H776-W779 HydrophobicContact CB-CB 4.16Å; H776-W779 PolarHBondContact O-N 3.27Å; P777-W779 PolarHBondContact O-N 3.33Å; W779-P781 HydrophobicContact CH2-CB 3.97Å; W779-P781 HydrophobicContact CZ3-CB 4.11Å; W779-E790 PolarHBondContact NE1-O 3.31Å; W779-I925 HydrophobicContact CB-CD1 4.22Å; W779-I925 HydrophobicContact CD2-CB 4.1Å; W779-I925 HydrophobicContact CD2-CD1 3.84Å; W779-I925 HydrophobicContact CD2-CG2 3.86Å; W779-I925 HydrophobicContact CE3-CB 4.29Å; W779-I925 HydrophobicContact CE3-CD1 4.48Å; W779-I925 HydrophobicContact CE3-CG2 3.57Å; W779-I925 HydrophobicContact CG-CD1 3.68Å; W779-I925 HydrophobicContact CH2-CB 3.97Å; W779-I925 HydrophobicContact CH2-CG2 3.65Å; W779-I925 HydrophobicContact CZ2-CB 3.77Å; W779-I925 HydrophobicContact CZ2-CG2 3.95Å; W779-I925 HydrophobicContact CZ3-CB 4.23Å; W779-I925 HydrophobicContact CZ3-CG2 3.46Å; W779-I925 VanDerWaalsContact CZ3-CG2 3.46Å; W779-L926 HydrophobicContact CH2-CB 4.24Å; W779-L926 HydrophobicContact CH2-CD1 4.31Å; W779-L926 HydrophobicContact CZ2-CB 4.47Å | ||
| 780 | Q | 62.5 | Low | 63.8 | Low | 154 Ų | 154 | 79.6 Ų | 79.6 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | trans | -117.6 | 142.1 | 173.5 | -65.1 | -171 | -4 | 0 | 0 | 110.5 | V782 | Q780-V782 PolarHBondContact O-N 3.2Å; Q780-V782 VanDerWaalsContact O-N 3.1Å | ||
| 781 | P | 60.4 | Low | 63.9 | Low | 42 Ų | 42 | 76.2 Ų | 76.2 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | trans | -67.5 | 111.4 | 177.9 | 26 | -32.1 | 0 | 0 | 0 | 110.6 | W779 L869 V872 L926 | W779-P781 HydrophobicContact CH2-CB 3.97Å; W779-P781 HydrophobicContact CZ3-CB 4.11Å; P781-L869 WeakPolarHBondContact O-CD2 3.3Å; P781-V872 HydrophobicContact CG-CG1 4.39Å; P781-L926 HydrophobicContact CB-CD1 4.22Å | ||
| 782 | V | 61 | Low | 64 | Low | 62 Ų | 62 | 72 Ų | 72 | 38% | 0.376 | 41% | 0.41 | S | S | . | . | trans | -99.6 | 131.8 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | Q780 N784 E790 | Q780-V782 PolarHBondContact O-N 3.2Å; Q780-V782 VanDerWaalsContact O-N 3.1Å; V782-N784 VanDerWaalsContact C-N 3.34Å; V782-N784 PolarHBondContact O-N 3.08Å; V782-E790 HydrophobicContact CG2-CG 4.43Å | ||
| 783 | G | 54.8 | Low | 64.3 | Low | 31 Ų | 31 | 71.7 Ų | 71.7 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -73.1 | -17.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T857 | G783-T857 WeakPolarHBondContact O-CB 3.36Å; G783-T857 WeakPolarHBondContact O-CG2 3.44Å; G783-T857 PolarHBondContact O-OG1 2.64Å |
| 784 | N | 59.7 | Low | 64.8 | Low | 96 Ų | 96 | 69.2 Ų | 69.2 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -152.3 | 102.7 | 169.9 | -85.2 | -20.3 | 0 | 0 | 0 | 107.1 | V782 G786 T857 | V782-N784 VanDerWaalsContact C-N 3.34Å; V782-N784 PolarHBondContact O-N 3.08Å; N784-G786 PolarHBondContact O-N 3.25Å; N784-T857 PolarHBondContact OD1-OG1 2.93Å |
| 785 | P | 59.8 | Low | 65.5 | Low | 13 Ų | 13 | 65.8 Ų | 65.8 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | trans | -68.4 | 131.1 | -175.8 | 27.1 | -31 | 0 | 0 | 0 | 109.5 | E790 V791 L853 T857 | P785-E790 WeakPolarHBondContact CA-OE2 3.37Å; P785-E790 HydrophobicContact CB-CB 3.56Å; P785-V791 HydrophobicContact CB-CG2 4.34Å; P785-V791 HydrophobicContact CG-CG2 4.22Å; P785-L853 HydrophobicContact CB-CD2 3.92Å; P785-L853 HydrophobicContact CG-CB 4.2Å; P785-L853 HydrophobicContact CG-CD2 4.05Å; P785-L853 HydrophobicContact CG-CG 4.29Å; P785-L853 WeakPolarHBondContact O-CB 3.38Å; P785-L853 WeakPolarHBondContact O-CD2 3.39Å; P785-T857 HydrophobicContact CG-CG2 4.38Å | ||
| 786 | G | 56.6 | Low | 66.5 | Low | 71 Ų | 71 | 62.8 Ų | 62.8 | 73% | 0.732 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -88.4 | -19.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | N784 E790 | N784-G786 PolarHBondContact O-N 3.25Å; G786-E790 PolarHBondContact N-OE2 3.14Å |
| 787 | S | 61.1 | Low | 67.5 | Low | 42 Ų | 42 | 59.3 Ų | 59.3 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -134.8 | 154.9 | -178 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | E789 E790 L853 | S787-E789 PolarHBondContact O-N 3.05Å; S787-E789 VanDerWaalsContact O-N 3.17Å; S787-E790 PolarHBondContact N-OE1 2.03Å; S787-E790 PolarHBondContact O-N 3.24Å; S787-E790 WeakPolarHBondContact OG-CG 3.33Å; S787-E790 PolarHBondContact OG-OE1 3.43Å; S787-L853 VanDerWaalsContact C-CD2 3.4Å; S787-L853 VanDerWaalsContact O-CD2 3.28Å; S787-L853 WeakPolarHBondContact O-CD2 3.36Å |
| 788 | L | 64.2 | Low | 68.6 | Low | 60 Ų | 60 | 56.8 Ų | 56.8 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -62.5 | -20.6 | 177.6 | -72.3 | 169.1 | 0 | 0 | 0 | 112.6 | E790 V791 Y828 I830 L853 R922 | L788-E790 VanDerWaalsContact C-N 3.34Å; L788-V791 WeakPolarHBondContact O-CB 3.46Å; L788-V791 PolarHBondContact O-N 3.39Å; L788-Y828 HydrophobicContact CD2-CD1 4.02Å; L788-Y828 HydrophobicContact CD2-CE1 3.48Å; L788-Y828 VanDerWaalsContact CD2-CE1 3.48Å; L788-I830 HydrophobicContact CD1-CG2 4.1Å; L788-L853 HydrophobicContact CD2-CD1 4.14Å; L788-R922 WeakPolarHBondContact O-CD 3.35Å; L788-R922 PolarHBondContact O-NE 3.36Å |
| 789 | E | 65.9 | Low | 69.8 | Low | 140 Ų | 140 | 48.7 Ų | 48.7 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -68.9 | -31.3 | 177.3 | -70.3 | 172 | -177.2 | 0 | 0 | 113.1 | S787 V791 | S787-E789 PolarHBondContact O-N 3.05Å; S787-E789 VanDerWaalsContact O-N 3.17Å; E789-V791 PolarHBondContact O-N 2.67Å |
| 790 | E | 67.5 | Low | 70.7 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -73.6 | -15.3 | 178.7 | -68.3 | 159.8 | -131.3 | 0 | 0 | 112.7 | W779 V782 P785 G786 S787 L788 | W779-E790 PolarHBondContact NE1-O 3.31Å; V782-E790 HydrophobicContact CG2-CG 4.43Å; P785-E790 WeakPolarHBondContact CA-OE2 3.37Å; P785-E790 HydrophobicContact CB-CB 3.56Å; G786-E790 PolarHBondContact N-OE2 3.14Å; S787-E790 PolarHBondContact N-OE1 2.03Å; S787-E790 PolarHBondContact O-N 3.24Å; S787-E790 WeakPolarHBondContact OG-CG 3.33Å; S787-E790 PolarHBondContact OG-OE1 3.43Å; L788-E790 VanDerWaalsContact C-N 3.34Å |
| 791 | V | 71.4 | Confident | 71.9 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -39.6 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | P785 L788 E789 L853 L923 I924 I925 | P785-V791 HydrophobicContact CB-CG2 4.34Å; P785-V791 HydrophobicContact CG-CG2 4.22Å; L788-V791 WeakPolarHBondContact O-CB 3.46Å; L788-V791 PolarHBondContact O-N 3.39Å; E789-V791 PolarHBondContact O-N 2.67Å; V791-L853 HydrophobicContact CG2-CD2 4.45Å; V791-L923 VanDerWaalsContact O-O 3.14Å; V791-I924 HydrophobicContact CG1-CG1 3.84Å; V791-I925 PolarHBondContact O-N 2.68Å |
| 792 | G | 75.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | trans | 147.9 | -174 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R922 L923 | G792-R922 WeakPolarHBondContact O-CD 3.2Å; G792-R922 WeakPolarHBondContact O-CG 3.38Å; G792-R922 PolarHBondContact O-NH1 3.03Å; G792-L923 VanDerWaalsContact CA-O 3.29Å; G792-L923 WeakPolarHBondContact CA-O 3.04Å | ||
| 793 | P | 78.7 | Confident | 74.3 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -67.6 | 144.4 | -171.7 | 25.8 | -35.2 | 0 | 0 | 0 | 112 | I772 R922 L923 I925 | I772-P793 HydrophobicContact CD1-CB 4.38Å; I772-P793 HydrophobicContact CD1-CG 4.01Å; I772-P793 HydrophobicContact CG2-CG 3.8Å; P793-R922 WeakPolarHBondContact O-CA 3.45Å; P793-L923 HydrophobicContact CG-CB 4.15Å; P793-L923 HydrophobicContact CG-CD2 4.42Å; P793-L923 PolarHBondContact O-N 2.98Å; P793-L923 VanDerWaalsContact O-N 3.1Å; P793-I925 HydrophobicContact CG-CD1 4.34Å | ||
| 794 | L | 80.9 | Confident | 75.7 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 137.3 | 173.3 | -178.9 | 67.7 | 0 | 0 | 0 | 109.9 | P769 E796 I830 R922 | P769-L794 WeakPolarHBondContact CD-O 3.4Å; L794-E796 HydrophobicContact CG-CG 4.42Å; L794-I830 HydrophobicContact CD1-CD1 3.88Å; L794-R922 HydrophobicContact CB-CG 4.37Å; L794-R922 HydrophobicContact CD1-CG 4.29Å |
| 795 | M | 80.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.8 | 170.3 | 57.9 | 167.5 | -113.7 | 0 | 0 | 110.6 | V768 I772 F817 L827 S920 A921 L939 | V768-M795 CarbonylContact O-C 3.44Å; V768-M795 WeakPolarHBondContact O-CA 3.33Å; I772-M795 HydrophobicContact CD1-CB 4.4Å; M795-F817 HydrophobicContact CE-CE1 4.31Å; M795-F817 HydrophobicContact CE-CE2 4.23Å; M795-F817 HydrophobicContact CE-CZ 3.47Å; M795-F817 VanDerWaalsContact CE-CZ 3.47Å; M795-L827 HydrophobicContact CE-CD1 3.32Å; M795-L827 HydrophobicContact CE-CD2 3.54Å; M795-L827 HydrophobicContact CE-CG 4.02Å; M795-L827 HydrophobicContact CG-CD2 4.33Å; M795-L827 HydrophobicContact SD-CD1 4.2Å; M795-L827 HydrophobicContact SD-CD2 3.32Å; M795-L827 WeakPolarHBondContact SD-CD2 3.34Å; M795-L827 HydrophobicContact SD-CG 4.39Å; M795-S920 WeakPolarHBondContact O-CA 3.4Å; M795-A921 HydrophobicContact CE-CB 4.22Å; M795-A921 HydrophobicContact CG-CB 4.33Å; M795-A921 VanDerWaalsContact CG-O 3.23Å; M795-A921 WeakPolarHBondContact CG-O 3.09Å; M795-A921 PolarHBondContact N-O 3.31Å; M795-A921 PolarHBondContact O-N 3.33Å; M795-L939 HydrophobicContact SD-CD1 4.45Å |
| 796 | E | 83.9 | Confident | 77.7 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.3 | -177.2 | -54.4 | -165.3 | 133.7 | 0 | 0 | 110.1 | S767 V768 L794 I919 S920 | S767-E796 CarbonylContact C-O 3.58Å; S767-E796 VanDerWaalsContact CA-O 3.32Å; S767-E796 WeakPolarHBondContact CA-O 3.33Å; V768-E796 PolarHBondContact N-O 2.8Å; V768-E796 PolarHBondContact O-N 2.97Å; L794-E796 HydrophobicContact CG-CG 4.42Å; E796-I919 WeakPolarHBondContact CA-O 3.39Å; E796-S920 PolarHBondContact OE1-OG 2.75Å |
| 797 | H | 84.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.1 | 167.5 | -74.9 | -155.8 | 0 | 0 | 0 | 108.7 | G766 Y799 F817 K918 I919 S941 | G766-H797 WeakPolarHBondContact O-CA 3.04Å; H797-Y799 HydrophobicContact CB-CE2 4.04Å; H797-F817 HydrophobicContact CB-CE2 3.98Å; H797-F817 AromaticContact CG-CE2 3.7Å; H797-F817 AromaticContact ND1-CE2 3.69Å; H797-K918 WeakPolarHBondContact O-CA 3.48Å; H797-I919 PolarHBondContact N-O 2.95Å; H797-I919 PolarHBondContact O-N 2.99Å; H797-S941 PolarHBondContact CE1-OG 2.87Å; H797-S941 PolarHBondContact ND1-OG 3.44Å |
| 798 | V | 84.6 | Confident | 80.2 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.1 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | G765 G766 V916 V917 K918 | G765-V798 CarbonylContact C-O 3.54Å; G765-V798 WeakPolarHBondContact CA-O 3.4Å; G766-V798 PolarHBondContact N-O 2.9Å; G766-V798 PolarHBondContact O-N 3.31Å; V798-V916 HydrophobicContact CG1-CG1 3.5Å; V798-V917 CarbonylContact C-O 3.57Å; V798-V917 WeakPolarHBondContact CA-O 3.49Å; V798-K918 HydrophobicContact CG1-CG 4.17Å; V798-K918 HydrophobicContact CG2-CG 4.11Å |
| 799 | Y | 86.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.9 | 174.5 | -57.4 | -88.2 | 0 | 0 | 0 | 109.6 | R764 H797 M815 V916 V917 I919 S941 A943 V966 | R764-Y799 CarbonylContact O-C 3.44Å; R764-Y799 WeakPolarHBondContact O-CA 3.36Å; H797-Y799 HydrophobicContact CB-CE2 4.04Å; Y799-M815 HydrophobicContact CD2-CG 4Å; Y799-M815 HydrophobicContact CD2-SD 3.53Å; Y799-M815 VanDerWaalsContact CD2-SD 3.53Å; Y799-M815 HydrophobicContact CE1-CG 4.48Å; Y799-M815 HydrophobicContact CE2-CB 4.43Å; Y799-M815 HydrophobicContact CE2-CG 3.98Å; Y799-M815 HydrophobicContact CE2-SD 3.94Å; Y799-M815 HydrophobicContact CG-CG 4.23Å; Y799-M815 HydrophobicContact CG-SD 4Å; Y799-V916 CarbonylContact O-C 3.2Å; Y799-V916 WeakPolarHBondContact O-CA 3.36Å; Y799-V917 PolarHBondContact N-O 3.03Å; Y799-V917 PolarHBondContact O-N 3Å; Y799-I919 HydrophobicContact CE2-CD1 3.91Å; Y799-I919 HydrophobicContact CE2-CG1 4.4Å; Y799-S941 WeakPolarHBondContact OH-CB 3.1Å; Y799-S941 PolarHBondContact OH-OG 2.03Å; Y799-A943 HydrophobicContact CD1-CB 3.44Å; Y799-A943 VanDerWaalsContact CD1-CB 3.44Å; Y799-A943 HydrophobicContact CE1-CB 3.47Å; Y799-A943 VanDerWaalsContact CE1-CB 3.47Å; Y799-A943 HydrophobicContact CG-CB 4.25Å; Y799-V966 HydrophobicContact CD1-CG2 4.1Å; Y799-V966 HydrophobicContact CE1-CG2 3.54Å |
| 800 | E | 85.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 27 Ų | 27 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.9 | 176.2 | -178.7 | -175.9 | -161.1 | 0 | 0 | 108.7 | I763 R764 S914 A915 V916 | I763-E800 CarbonylContact C-O 3.57Å; I763-E800 WeakPolarHBondContact CA-O 3.04Å; R764-E800 PolarHBondContact N-O 3.04Å; R764-E800 PolarHBondContact O-N 3.25Å; E800-S914 WeakPolarHBondContact OE1-CB 3.15Å; E800-S914 PolarHBondContact OE1-OG 2.93Å; E800-A915 WeakPolarHBondContact CA-O 3.41Å; E800-V916 HydrophobicContact CB-CG2 4.22Å; E800-V916 HydrophobicContact CG-CG2 4.02Å |
| 801 | I | 86.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127 | 167.3 | -172.4 | 174 | 0 | 0 | 0 | 108.9 | L761 E762 A811 V906 L909 S914 A915 Y945 | L761-I801 HydrophobicContact CD1-CD1 4.06Å; E762-I801 CarbonylContact O-C 3.46Å; E762-I801 WeakPolarHBondContact O-CA 3.5Å; I801-A811 HydrophobicContact CD1-CB 4.23Å; I801-V906 HydrophobicContact CG2-CG2 4.28Å; I801-L909 HydrophobicContact CG1-CD2 4.36Å; I801-L909 HydrophobicContact CG2-CD2 4.37Å; I801-S914 CarbonylContact O-C 3.59Å; I801-S914 WeakPolarHBondContact O-CA 3.22Å; I801-S914 VanDerWaalsContact O-CB 3.24Å; I801-S914 WeakPolarHBondContact O-CB 3.44Å; I801-A915 HydrophobicContact CG2-CB 3.78Å; I801-A915 PolarHBondContact N-O 3.31Å; I801-A915 PolarHBondContact O-N 2.77Å; I801-Y945 HydrophobicContact CD1-CD1 4.08Å; I801-Y945 HydrophobicContact CD1-CD2 4.15Å; I801-Y945 HydrophobicContact CD1-CG 3.66Å |
| 802 | R | 86.1 | Confident | 83.9 | Confident | 91 Ų | 91 | 27.7 Ų | 27.7 | 34% | 0.343 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.4 | -174.8 | -173.2 | 169.9 | -175.3 | 175.3 | 0.5 | 111.2 | L761 E762 G912 F913 | L761-R802 WeakPolarHBondContact CA-O 3.18Å; E762-R802 PolarHBondContact N-O 3.23Å; E762-R802 PolarHBondContact O-N 3.47Å; R802-G912 PolarHBondContact NE-O 3.1Å; R802-F913 WeakPolarHBondContact CA-O 3.41Å |
| 803 | N | 86.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.4 | 172.2 | -172.1 | 7.1 | 0 | 0 | 0 | 110.7 | T760 L761 G805 S807 L909 G910 G912 F913 | T760-N803 PolarHBondContact O-OD1 3.19Å; L761-N803 HydrophobicContact CD2-CB 3.48Å; L761-N803 VanDerWaalsContact CD2-CB 3.48Å; N803-G805 PolarHBondContact OD1-N 2.93Å; N803-G805 PolarHBondContact OD1-O 3.23Å; N803-S807 PolarHBondContact ND2-O 3.45Å; N803-L909 HydrophobicContact CB-CD2 4.1Å; N803-L909 HydrophobicContact CB-CG 3.99Å; N803-L909 PolarHBondContact ND2-O 3.41Å; N803-G910 WeakPolarHBondContact CB-O 3.44Å; N803-G912 WeakPolarHBondContact O-CA 3.37Å; N803-G912 PolarHBondContact O-N 3.04Å; N803-F913 PolarHBondContact N-O 2.74Å |
| 804 | Q | 83.9 | Confident | 84.9 | Confident | 82 Ų | 82 | 27.9 Ų | 27.9 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | trans | -94.8 | -18.3 | 174.4 | -61.1 | -70.9 | -4.6 | 0 | 0 | 112 | T760 E762 | T760-Q804 WeakPolarHBondContact O-CB 3.19Å; T760-Q804 PolarHBondContact O-N 2.88Å; E762-Q804 HydrophobicContact CB-CG 4.39Å; E762-Q804 PolarHBondContact OE2-NE2 2.83Å | ||
| 805 | G | 81.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -79.1 | 161.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T760 N803 R911 | T760-G805 PolarHBondContact O-N 3.05Å; N803-G805 PolarHBondContact OD1-N 2.93Å; N803-G805 PolarHBondContact OD1-O 3.23Å; G805-R911 VanDerWaalsContact O-CB 3.29Å; G805-R911 WeakPolarHBondContact O-CB 3.27Å; G805-R911 VanDerWaalsContact O-CG 3.27Å; G805-R911 WeakPolarHBondContact O-CG 3.48Å |
| 806 | P | 81.1 | Confident | 85.5 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 17% | 0.169 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -69.7 | -36.7 | -177.5 | 26.7 | -33.6 | 0 | 0 | 0 | 113.4 | L641 I642 G643 E758 | L641-P806 HydrophobicContact CB-CG 4.27Å; L641-P806 HydrophobicContact CD1-CG 4.03Å; I642-P806 CarbonylContact O-C 3.55Å; G643-P806 WeakPolarHBondContact CA-O 3.16Å; E758-P806 VanDerWaalsContact O-CD 3.27Å; E758-P806 WeakPolarHBondContact O-CD 2.98Å; E758-P806 WeakPolarHBondContact O-CG 3.39Å |
| 807 | S | 85.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -85.4 | 137.7 | -174.9 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | I642 A757 E758 N803 | I642-S807 VanDerWaalsContact O-CA 3.32Å; I642-S807 WeakPolarHBondContact O-CA 3.2Å; I642-S807 WeakPolarHBondContact O-CB 3.16Å; I642-S807 PolarHBondContact O-N 3.09Å; I642-S807 PolarHBondContact O-OG 3.17Å; A757-S807 WeakPolarHBondContact CA-OG 3.35Å; E758-S807 PolarHBondContact N-OG 3Å; E758-S807 VanDerWaalsContact O-CB 3.24Å; E758-S807 WeakPolarHBondContact O-CB 3.05Å; E758-S807 PolarHBondContact O-N 3.33Å; E758-S807 PolarHBondContact O-OG 3.05Å; N803-S807 PolarHBondContact ND2-O 3.45Å |
| 808 | S | 83.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 22.6 Ų | 22.6 | 25% | 0.245 | 11% | 0.109 | C | C | . | . | trans | -66.7 | 145.9 | 170.6 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | D908 L909 G910 P951 | S808-D908 WeakPolarHBondContact CB-OD1 3.38Å; S808-L909 WeakPolarHBondContact CA-O 3.46Å; S808-G910 WeakPolarHBondContact OG-CA 3.23Å; S808-P951 WeakPolarHBondContact O-CD 3.32Å | ||
| 809 | V | 86.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.7 | -179.5 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | A759 L761 L909 V947 | A759-V809 HydrophobicContact CB-CB 4.44Å; A759-V809 HydrophobicContact CB-CG1 3.32Å; A759-V809 HydrophobicContact CB-CG2 4.26Å; L761-V809 HydrophobicContact CD1-CG2 4.05Å; L761-V809 HydrophobicContact CD2-CG2 3.82Å; L761-V809 HydrophobicContact CG-CG2 4.24Å; V809-L909 PolarHBondContact N-O 3.46Å; V809-L909 WeakPolarHBondContact O-CB 3.39Å; V809-L909 PolarHBondContact O-N 3.32Å; V809-V947 HydrophobicContact CB-CG1 4.06Å; V809-V947 HydrophobicContact CG1-CG1 4.07Å |
| 810 | N | 85.8 | Confident | 84.8 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 9% | 0.086 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.8 | 164.7 | -56.5 | -26.9 | 0 | 0 | 0 | 108.1 | V906 M907 D908 I948 S949 | N810-V906 CarbonylContact C-O 3.59Å; N810-V906 VanDerWaalsContact CA-O 3.29Å; N810-V906 WeakPolarHBondContact CA-O 3.37Å; N810-M907 HydrophobicContact CB-CE 4.39Å; N810-M907 HydrophobicContact CB-SD 4.04Å; N810-D908 PolarHBondContact OD1-N 3.45Å; N810-I948 PolarHBondContact O-N 3.21Å; N810-S949 WeakPolarHBondContact CB-O 3.46Å; N810-S949 PolarHBondContact N-O 2.88Å; N810-S949 PolarHBondContact ND2-OG 2.97Å; N810-S949 PolarHBondContact O-N 3.32Å |
| 811 | A | 86.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L761 I801 V906 D946 | L761-A811 HydrophobicContact CD1-CB 3.86Å; I801-A811 HydrophobicContact CD1-CB 4.23Å; A811-V906 PolarHBondContact N-O 3.31Å; A811-V906 WeakPolarHBondContact O-CA 3.28Å; A811-V906 WeakPolarHBondContact O-CB 3.4Å; A811-V906 PolarHBondContact O-N 2.8Å; A811-D946 CarbonylContact C-O 3.47Å; A811-D946 VanDerWaalsContact CA-O 3.27Å; A811-D946 WeakPolarHBondContact CA-O 3.36Å |
| 812 | R | 88.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 27.6 Ų | 27.6 | 34% | 0.343 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.7 | 169.9 | -176.3 | 161.4 | -67.7 | 170.1 | -1.1 | 109.1 | D905 Y945 D946 I948 | R812-D905 IonicContact CZ-OD1 3.87Å; R812-D905 IonicContact NE-OD1 3.05Å; R812-D905 PolarHBondContact NE-OD1 3.13Å; R812-D905 IonicContact NH2-OD1 2.69Å; R812-D905 PolarHBondContact NH2-OD1 3.45Å; R812-D905 IonicContact NH2-OD2 2.72Å; R812-D905 PolarHBondContact NH2-OD2 2.84Å; R812-D905 VanDerWaalsContact NH2-OD2 3.17Å; R812-Y945 CarbonylContact O-C 3.56Å; R812-Y945 WeakPolarHBondContact O-CA 3.45Å; R812-D946 PolarHBondContact N-O 3.24Å; R812-D946 PolarHBondContact O-N 2.83Å; R812-I948 HydrophobicContact CB-CD1 3.92Å; R812-I948 HydrophobicContact CB-CG1 4.03Å |
| 813 | L | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.7 | 173.8 | -179.9 | 67.1 | 0 | 0 | 0 | 109.6 | I763 M815 E903 C904 V917 A943 F944 | I763-L813 HydrophobicContact CD1-CD1 3.39Å; L813-M815 HydrophobicContact CD2-CE 3.92Å; L813-M815 HydrophobicContact CD2-SD 3.89Å; L813-M815 HydrophobicContact CG-CE 3.92Å; L813-M815 HydrophobicContact CG-CG 4.33Å; L813-M815 HydrophobicContact CG-SD 4.16Å; L813-E903 CarbonylContact O-C 3.58Å; L813-E903 WeakPolarHBondContact O-CA 3.48Å; L813-C904 HydrophobicContact CB-CB 4.39Å; L813-C904 PolarHBondContact N-O 3.35Å; L813-C904 PolarHBondContact O-N 3.28Å; L813-V917 HydrophobicContact CD2-CB 4.27Å; L813-V917 HydrophobicContact CD2-CG2 3.63Å; L813-A943 HydrophobicContact CD1-CB 4.42Å; L813-F944 CarbonylContact C-O 3.52Å; L813-F944 WeakPolarHBondContact CA-O 3.36Å |
| 814 | T | 87.9 | Confident | 81.5 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.8 | 178.2 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | R901 F902 E903 A943 F944 | T814-R901 HydrophobicContact CG2-CG 3.99Å; T814-F902 CarbonylContact C-O 3.52Å; T814-F902 WeakPolarHBondContact CA-O 3.4Å; T814-E903 HydrophobicContact CG2-CG 4.21Å; T814-A943 CarbonylContact O-C 3.42Å; T814-A943 VanDerWaalsContact O-CA 3.28Å; T814-A943 WeakPolarHBondContact O-CA 3.33Å; T814-F944 PolarHBondContact N-O 2.91Å; T814-F944 PolarHBondContact O-N 2.8Å |
| 815 | M | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.5 | -179.7 | -67.5 | 150.1 | -69.1 | 0 | 0 | 110.5 | Y799 L813 R901 F902 C904 V917 I919 S942 A943 | Y799-M815 HydrophobicContact CD2-CG 4Å; Y799-M815 HydrophobicContact CD2-SD 3.53Å; Y799-M815 VanDerWaalsContact CD2-SD 3.53Å; Y799-M815 HydrophobicContact CE1-CG 4.48Å; Y799-M815 HydrophobicContact CE2-CB 4.43Å; Y799-M815 HydrophobicContact CE2-CG 3.98Å; Y799-M815 HydrophobicContact CE2-SD 3.94Å; Y799-M815 HydrophobicContact CG-CG 4.23Å; Y799-M815 HydrophobicContact CG-SD 4Å; L813-M815 HydrophobicContact CD2-CE 3.92Å; L813-M815 HydrophobicContact CD2-SD 3.89Å; L813-M815 HydrophobicContact CG-CE 3.92Å; L813-M815 HydrophobicContact CG-CG 4.33Å; L813-M815 HydrophobicContact CG-SD 4.16Å; M815-R901 CarbonylContact O-C 3.56Å; M815-R901 WeakPolarHBondContact O-CA 3.24Å; M815-F902 HydrophobicContact CB-CB 4.35Å; M815-F902 HydrophobicContact CE-CB 4Å; M815-F902 PolarHBondContact N-O 2.83Å; M815-F902 PolarHBondContact O-N 3.07Å; M815-C904 HydrophobicContact CE-CB 4.31Å; M815-C904 VanDerWaalsContact CE-SG 3.54Å; M815-V917 HydrophobicContact CE-CB 4.25Å; M815-V917 HydrophobicContact CE-CG1 3.7Å; M815-V917 HydrophobicContact CE-CG2 4.33Å; M815-V917 HydrophobicContact SD-CB 3.84Å; M815-V917 HydrophobicContact SD-CG1 3.58Å; M815-V917 VanDerWaalsContact SD-CG1 3.58Å; M815-V917 HydrophobicContact SD-CG2 4.42Å; M815-I919 HydrophobicContact CB-CD1 4.11Å; M815-I919 HydrophobicContact SD-CD1 4.25Å; M815-S942 CarbonylContact C-O 3.49Å; M815-S942 WeakPolarHBondContact CA-O 3.43Å; M815-A943 HydrophobicContact CG-CB 3.68Å |
| 816 | D | 87 | Confident | 80.4 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 10% | 0.096 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.5 | 174.4 | -72 | -27.5 | 0 | 0 | 0 | 109.5 | C892 R901 S941 S942 | D816-C892 HydrophobicContact CB-CB 3.95Å; D816-R901 WeakPolarHBondContact OD1-CG 3.43Å; D816-R901 IonicContact OD1-CZ 3.7Å; D816-R901 IonicContact OD1-NE 3.9Å; D816-R901 PolarHBondContact OD1-NE 3.08Å; D816-R901 IonicContact OD1-NH2 2.8Å; D816-R901 PolarHBondContact OD1-NH2 3.32Å; D816-R901 IonicContact OD2-CZ 2.95Å; D816-R901 IonicContact OD2-NE 2.86Å; D816-R901 IonicContact OD2-NH2 3.38Å; D816-R901 PolarHBondContact OD2-NH2 2.85Å; D816-S941 WeakPolarHBondContact O-CA 3.5Å; D816-S941 WeakPolarHBondContact O-CB 3.39Å; D816-S942 PolarHBondContact N-O 3.27Å; D816-S942 PolarHBondContact O-N 3.4Å; D816-S942 VanDerWaalsContact O-N 3.08Å |
| 817 | F | 85.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.8 | -174 | -165.6 | -94.3 | 0 | 0 | 0 | 111.5 | M795 H797 S819 L827 V829 C899 V900 F902 I919 A921 | M795-F817 HydrophobicContact CE-CE1 4.31Å; M795-F817 HydrophobicContact CE-CE2 4.23Å; M795-F817 HydrophobicContact CE-CZ 3.47Å; M795-F817 VanDerWaalsContact CE-CZ 3.47Å; H797-F817 HydrophobicContact CB-CE2 3.98Å; H797-F817 AromaticContact CG-CE2 3.7Å; H797-F817 AromaticContact ND1-CE2 3.69Å; F817-S819 PolarHBondContact O-N 2.81Å; F817-L827 HydrophobicContact CE1-CB 4.21Å; F817-L827 HydrophobicContact CE1-CD1 3.75Å; F817-L827 HydrophobicContact CZ-CD1 3.98Å; F817-V829 HydrophobicContact CD1-CG2 4.06Å; F817-V829 HydrophobicContact CE1-CG2 4.1Å; F817-C899 CarbonylContact O-C 3.46Å; F817-C899 VanDerWaalsContact O-CA 3.31Å; F817-C899 WeakPolarHBondContact O-CA 3.3Å; F817-V900 PolarHBondContact N-O 3.09Å; F817-V900 PolarHBondContact O-N 3.41Å; F817-F902 HydrophobicContact CB-CD2 4.39Å; F817-F902 HydrophobicContact CB-CE2 3.91Å; F817-I919 HydrophobicContact CD1-CG2 4.39Å; F817-I919 HydrophobicContact CD2-CB 4.35Å; F817-I919 HydrophobicContact CD2-CD1 4.22Å; F817-I919 HydrophobicContact CD2-CG2 3.87Å; F817-I919 HydrophobicContact CE1-CG2 4.38Å; F817-I919 HydrophobicContact CE2-CB 4.31Å; F817-I919 HydrophobicContact CE2-CG2 3.88Å; F817-I919 HydrophobicContact CG-CG2 4.11Å; F817-I919 HydrophobicContact CZ-CG2 4.12Å; F817-A921 HydrophobicContact CE1-CB 3.84Å; F817-A921 HydrophobicContact CZ-CB 3.85Å |
| 818 | P | 84.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.9 | -179.3 | 29 | -33.2 | 0 | 0 | 0 | 111 | L827 V890 T897 | P818-L827 HydrophobicContact CG-CD1 4.44Å; P818-L827 VanDerWaalsContact O-CD1 3.25Å; P818-L827 WeakPolarHBondContact O-CD1 3.31Å; P818-V890 HydrophobicContact CB-CG1 4.05Å; P818-T897 HydrophobicContact CB-CG2 3.9Å |
| 819 | S | 79.3 | Confident | 79.5 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -39 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | F817 L826 L827 G898 | F817-S819 PolarHBondContact O-N 2.81Å; S819-L826 PolarHBondContact O-N 3.3Å; S819-L827 PolarHBondContact O-N 3.24Å; S819-L827 VanDerWaalsContact O-N 3.12Å; S819-L827 PolarHBondContact OG-O 3.45Å; S819-L827 VanDerWaalsContact OG-O 3.04Å; S819-G898 PolarHBondContact N-O 3.44Å |
| 820 | T | 75.6 | Confident | 78.5 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 14% | 0.135 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.3 | -177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | H824 F825 T897 G898 | T820-H824 CarbonylContact C-O 3.44Å; T820-H824 WeakPolarHBondContact CA-O 3.35Å; T820-H824 WeakPolarHBondContact CB-O 3.02Å; T820-F825 HydrophobicContact CG2-CD1 3.56Å; T820-F825 HydrophobicContact CG2-CE1 3.79Å; T820-F825 HydrophobicContact CG2-CG 4.15Å; T820-T897 CarbonylContact O-C 3.53Å; T820-T897 VanDerWaalsContact O-CA 3.26Å; T820-T897 WeakPolarHBondContact O-CA 3.19Å; T820-T897 WeakPolarHBondContact O-CG2 3.49Å; T820-G898 PolarHBondContact N-O 3.1Å; T820-G898 PolarHBondContact O-N 3.47Å; T820-G898 WeakPolarHBondContact OG1-CA 3.22Å; T820-G898 PolarHBondContact OG1-N 3.26Å; T820-G898 VanDerWaalsContact OG1-N 3.16Å |
| 821 | W | 74.4 | Confident | 77.3 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 128.2 | 172.4 | -178.7 | 77.5 | 0 | 0 | 0 | 110.5 | H823 H824 L826 I888 V890 E896 | W821-H823 PolarHBondContact O-N 3.35Å; W821-H824 PolarHBondContact N-O 2.65Å; W821-H824 WeakPolarHBondContact O-CB 3.33Å; W821-H824 PolarHBondContact O-N 3.37Å; W821-H824 PolarHBondContact O-ND1 3.32Å; W821-L826 HydrophobicContact CB-CD1 3.36Å; W821-L826 HydrophobicContact CB-CD2 4.5Å; W821-L826 HydrophobicContact CB-CG 4Å; W821-L826 HydrophobicContact CG-CD1 4.37Å; W821-I888 HydrophobicContact CH2-CD1 3.99Å; W821-I888 HydrophobicContact CZ2-CD1 4.19Å; W821-I888 HydrophobicContact CZ2-CG2 4.05Å; W821-V890 HydrophobicContact CB-CG1 4.37Å; W821-V890 HydrophobicContact CG-CG2 4.37Å; W821-E896 CarbonylContact C-O 3.52Å; W821-E896 WeakPolarHBondContact CA-O 3.42Å |
| 822 | R | 69.9 | Low | 76 | Confident | 130 Ų | 130 | 43.1 Ų | 43.1 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.1 | -174.2 | -63.9 | -177.2 | 172.6 | -175.7 | -5.3 | 113 | H824 E896 | R822-H824 VanDerWaalsContact C-N 3.31Å; R822-H824 PolarHBondContact O-CE1 3.24Å; R822-H824 PolarHBondContact O-N 3.47Å; R822-H824 PolarHBondContact O-ND1 3.14Å; R822-E896 HydrophobicContact CG-CB 4.2Å; R822-E896 IonicContact CZ-OE2 3.83Å; R822-E896 PolarHBondContact N-O 3.31Å; R822-E896 IonicContact NE-OE1 3.53Å; R822-E896 IonicContact NE-OE2 2.75Å; R822-E896 PolarHBondContact NE-OE2 3.38Å; R822-E896 IonicContact NH2-OE1 3.39Å; R822-E896 IonicContact NH2-OE2 3.44Å; R822-E896 PolarHBondContact NH2-OE2 3.06Å |
| 823 | H | 63.4 | Low | 74.3 | Confident | 188 Ų | 188 | 39.2 Ų | 39.2 | 87% | 0.87 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 15.2 | -176.7 | -48.4 | -63.7 | 0 | 0 | 0 | 116.4 | W821 | W821-H823 PolarHBondContact O-N 3.35Š|
| 824 | H | 66.6 | Low | 72.5 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.2 | 173.2 | -56.8 | 80.5 | 0 | 0 | 0 | 110.6 | T820 W821 R822 L826 Q931 | T820-H824 CarbonylContact C-O 3.44Å; T820-H824 WeakPolarHBondContact CA-O 3.35Å; T820-H824 WeakPolarHBondContact CB-O 3.02Å; W821-H824 PolarHBondContact N-O 2.65Å; W821-H824 WeakPolarHBondContact O-CB 3.33Å; W821-H824 PolarHBondContact O-N 3.37Å; W821-H824 PolarHBondContact O-ND1 3.32Å; R822-H824 VanDerWaalsContact C-N 3.31Å; R822-H824 PolarHBondContact O-CE1 3.24Å; R822-H824 PolarHBondContact O-N 3.47Å; R822-H824 PolarHBondContact O-ND1 3.14Å; H824-L826 PolarHBondContact O-N 3.21Å; H824-Q931 PolarHBondContact CD2-OE1 3.47Å; H824-Q931 VanDerWaalsContact CD2-OE1 3.32Å; H824-Q931 PolarHBondContact NE2-NE2 3.31Å |
| 825 | F | 69.3 | Low | 70.8 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 30% | 0.303 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.2 | 174.4 | -68.6 | -83.8 | 0 | 0 | 0 | 110.5 | T820 I924 | T820-F825 HydrophobicContact CG2-CD1 3.56Å; T820-F825 HydrophobicContact CG2-CE1 3.79Å; T820-F825 HydrophobicContact CG2-CG 4.15Å; F825-I924 HydrophobicContact CB-CD1 3.49Å; F825-I924 VanDerWaalsContact CB-CD1 3.49Å |
| 826 | L | 73.1 | Confident | 69 | Low | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -101 | -47.9 | 175.7 | -64.5 | 175.5 | 0 | 0 | 0 | 110.8 | S819 W821 H824 V890 I924 F928 L939 | S819-L826 PolarHBondContact O-N 3.3Å; W821-L826 HydrophobicContact CB-CD1 3.36Å; W821-L826 HydrophobicContact CB-CD2 4.5Å; W821-L826 HydrophobicContact CB-CG 4Å; W821-L826 HydrophobicContact CG-CD1 4.37Å; H824-L826 PolarHBondContact O-N 3.21Å; L826-V890 HydrophobicContact CD1-CG1 3.89Å; L826-V890 HydrophobicContact CD1-CG2 4.17Å; L826-I924 PolarHBondContact O-N 3.4Å; L826-I924 VanDerWaalsContact O-N 3.1Å; L826-F928 HydrophobicContact CD2-CE1 4.27Å; L826-F928 HydrophobicContact CD2-CE2 3.77Å; L826-F928 HydrophobicContact CD2-CZ 3.52Å; L826-L939 HydrophobicContact CD1-CD2 4.27Å | ||
| 827 | L | 76.9 | Confident | 67.3 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.8 | -173.1 | -65.4 | 175.8 | 0 | 0 | 0 | 110.4 | M795 F817 P818 S819 A921 L923 L939 | M795-L827 HydrophobicContact CE-CD1 3.32Å; M795-L827 HydrophobicContact CE-CD2 3.54Å; M795-L827 HydrophobicContact CE-CG 4.02Å; M795-L827 HydrophobicContact CG-CD2 4.33Å; M795-L827 HydrophobicContact SD-CD1 4.2Å; M795-L827 HydrophobicContact SD-CD2 3.32Å; M795-L827 WeakPolarHBondContact SD-CD2 3.34Å; M795-L827 HydrophobicContact SD-CG 4.39Å; F817-L827 HydrophobicContact CE1-CB 4.21Å; F817-L827 HydrophobicContact CE1-CD1 3.75Å; F817-L827 HydrophobicContact CZ-CD1 3.98Å; P818-L827 HydrophobicContact CG-CD1 4.44Å; P818-L827 VanDerWaalsContact O-CD1 3.25Å; P818-L827 WeakPolarHBondContact O-CD1 3.31Å; S819-L827 PolarHBondContact O-N 3.24Å; S819-L827 VanDerWaalsContact O-N 3.12Å; S819-L827 PolarHBondContact OG-O 3.45Å; S819-L827 VanDerWaalsContact OG-O 3.04Å; L827-A921 HydrophobicContact CB-CB 4.33Å; L827-L923 HydrophobicContact CD2-CB 4.49Å; L827-L923 HydrophobicContact CD2-CD1 3.88Å; L827-L939 HydrophobicContact CD1-CD1 3.83Å; L827-L939 HydrophobicContact CD2-CD1 3.91Å; L827-L939 HydrophobicContact CG-CD1 4.07Å |
| 828 | Y | 76.3 | Confident | 66.4 | Low | 52 Ų | 52 | 63.1 Ų | 63.1 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 108.1 | 172.6 | -178.7 | -99.3 | 0 | 0 | 0 | 109.6 | L788 I830 A921 R922 | L788-Y828 HydrophobicContact CD2-CD1 4.02Å; L788-Y828 HydrophobicContact CD2-CE1 3.48Å; L788-Y828 VanDerWaalsContact CD2-CE1 3.48Å; Y828-I830 HydrophobicContact CD1-CG1 3.76Å; Y828-I830 HydrophobicContact CE1-CG1 3.95Å; Y828-I830 PolarHBondContact O-N 2.79Å; Y828-A921 CarbonylContact O-C 3.52Å; Y828-A921 WeakPolarHBondContact O-CA 3.49Å; Y828-A921 WeakPolarHBondContact O-CB 3.42Å; Y828-R922 PolarHBondContact N-O 3.11Å; Y828-R922 PolarHBondContact O-N 3.11Å |
| 829 | V | 76.3 | Confident | 65.7 | Low | 20 Ų | 20 | 66.7 Ų | 66.7 | 12% | 0.121 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123 | 178 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | F817 F902 | F817-V829 HydrophobicContact CD1-CG2 4.06Å; F817-V829 HydrophobicContact CE1-CG2 4.1Å; V829-F902 HydrophobicContact CG1-CZ 4Å |
| 830 | I | 66.9 | Low | 65.6 | Low | 56 Ų | 56 | 67.6 Ų | 67.6 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | trans | -90.8 | -29 | -170.5 | -66.6 | 164.9 | 0 | 0 | 0 | 112.3 | L788 L794 Y828 S920 R922 | L788-I830 HydrophobicContact CD1-CG2 4.1Å; L794-I830 HydrophobicContact CD1-CD1 3.88Å; Y828-I830 HydrophobicContact CD1-CG1 3.76Å; Y828-I830 HydrophobicContact CE1-CG1 3.95Å; Y828-I830 PolarHBondContact O-N 2.79Å; I830-S920 PolarHBondContact N-O 3.48Å; I830-R922 HydrophobicContact CD1-CB 3.98Å; I830-R922 HydrophobicContact CD1-CG 3.46Å; I830-R922 VanDerWaalsContact CD1-CG 3.46Å | ||
| 831 | S | 60.4 | Low | 65.8 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | trans | -157.7 | 155.8 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 832 | T | 58.1 | Low | 65.9 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | trans | -68.5 | 138.6 | 163.7 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | S834 T842 | T832-S834 PolarHBondContact O-N 3.08Å; T832-T842 HydrophobicContact CG2-CG2 3.83Å | ||
| 833 | P | 54.1 | Low | 65.8 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | trans | -59.1 | 126.5 | 175.7 | 21.7 | -30.3 | 0 | 0 | 0 | 110.4 | C840 F902 V917 K918 | P833-C840 HydrophobicContact CG-CB 4.08Å; P833-F902 HydrophobicContact CG-CD1 4.14Å; P833-V917 HydrophobicContact CB-CG1 3.37Å; P833-V917 HydrophobicContact CG-CG1 3.63Å; P833-K918 WeakPolarHBondContact CB-O 3.31Å | ||
| 834 | S | 48.5 | Very low | 65.6 | Low | 108 Ų | 108 | 65.5 Ų | 65.5 | 76% | 0.755 | 36% | 0.363 | S | S | * | . | trans | -139.8 | 107.7 | 172.5 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | T832 | T832-S834 PolarHBondContact O-N 3.08Š| ||
| 835 | E | 53.7 | Low | 65 | Low | 107 Ų | 107 | 67.8 Ų | 67.8 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | trans | -93.9 | 148.5 | 148.8 | -112.9 | -175.6 | 175.8 | 0 | 0 | 107.4 | S837 L838 | E835-S837 PolarHBondContact O-N 3.12Å; E835-L838 HydrophobicContact CB-CD1 4.03Å; E835-L838 PolarHBondContact O-N 3.14Å | ||
| 836 | E | 48.6 | Very low | 64 | Low | 200 Ų | 200 | 69.4 Ų | 69.4 | 94% | 0.935 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -5.9 | -172.6 | -67.3 | -175.2 | 146.5 | 0 | 0 | 115.3 | ||
| 837 | S | 51.2 | Low | 62.8 | Low | 103 Ų | 103 | 73.4 Ų | 73.4 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 0.6 | -175.5 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | E835 | E835-S837 PolarHBondContact O-N 3.12Š|
| 838 | L | 66.8 | Low | 61.5 | Low | 22 Ų | 22 | 76 Ų | 76 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | trans | -119.2 | 126.9 | -173.1 | -77.5 | 148.8 | 0 | 0 | 0 | 112 | E835 C840 V906 A915 | E835-L838 HydrophobicContact CB-CD1 4.03Å; E835-L838 PolarHBondContact O-N 3.14Å; L838-C840 PolarHBondContact O-N 3.29Å; L838-V906 HydrophobicContact CD2-CB 4.21Å; L838-V906 HydrophobicContact CD2-CG1 4.21Å; L838-V906 HydrophobicContact CD2-CG2 3.65Å; L838-A915 HydrophobicContact CD1-CB 4.2Å; L838-A915 HydrophobicContact CD2-CB 4.05Å | ||
| 839 | S | 70.4 | Confident | 60.1 | Low | 75 Ų | 75 | 78.8 Ų | 78.8 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 101 | 175 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | C904 D905 | S839-C904 WeakPolarHBondContact O-CA 3.38Å; S839-D905 PolarHBondContact O-N 3.3Å |
| 840 | C | 78.1 | Confident | 58.8 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 19% | 0.189 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.1 | 178 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | P833 L838 E903 C904 | P833-C840 HydrophobicContact CG-CB 4.08Å; L838-C840 PolarHBondContact O-N 3.29Å; C840-E903 CarbonylContact C-O 3.53Å; C840-E903 WeakPolarHBondContact CA-O 3.28Å; C840-C904 HydrophobicContact CB-CB 4.13Å; C840-C904 WeakPolarHBondContact CB-SG 3.46Å; C840-C904 WeakPolarHBondContact SG-CB 3.27Å; C840-C904 CovalentContact SG-SG 2.04Å; C840-C904 PolarHBondContact SG-SG 3.21Å |
| 841 | Q | 79.7 | Confident | 57.9 | Low | 129 Ų | 129 | 82.1 Ų | 82.1 | 60% | 0.603 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.8 | 175.3 | -62 | -175.4 | 11.8 | 0 | 0 | 110.2 | F902 E903 | Q841-F902 WeakPolarHBondContact O-CA 3.44Å; Q841-E903 PolarHBondContact N-O 3.05Å; Q841-E903 PolarHBondContact O-N 3.33Å |
| 842 | T | 76.5 | Confident | 57.4 | Low | 40 Ų | 40 | 86.8 Ų | 86.8 | 25% | 0.245 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.7 | 171.7 | 40.5 | 0 | 0 | 0 | 0 | 109.9 | T832 R901 F902 | T832-T842 HydrophobicContact CG2-CG2 3.83Å; T842-R901 WeakPolarHBondContact CA-O 3.07Å; T842-F902 HydrophobicContact CG2-CD1 3.4Å; T842-F902 HydrophobicContact CG2-CE1 3.31Å; T842-F902 HydrophobicContact CG2-CG 4.39Å; T842-F902 HydrophobicContact CG2-CZ 4.24Å |
| 843 | V | 67.1 | Low | 57 | Low | 51 Ų | 51 | 85 Ų | 85 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.9 | 178 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | R901 E903 | V843-R901 HydrophobicContact CB-CB 4.23Å; V843-R901 HydrophobicContact CB-CG 4.22Å; V843-R901 PolarHBondContact N-O 3.18Å; V843-E903 HydrophobicContact CG2-CB 4.35Å; V843-E903 HydrophobicContact CG2-CG 3.84Å |
| 844 | N | 58 | Low | 56.6 | Low | 111 Ų | 111 | 88.3 Ų | 88.3 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | trans | 68.7 | 73.1 | -164.7 | -79 | -17.3 | 0 | 0 | 0 | 114.9 | S846 | N844-S846 PolarHBondContact O-N 3.15Š| ||
| 845 | T | 54.2 | Low | 56.4 | Low | 99 Ų | 99 | 85.7 Ų | 85.7 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -6.3 | 170.5 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | E847 | T845-E847 VanDerWaalsContact C-N 3.26Å; T845-E847 PolarHBondContact O-N 3.01Å |
| 846 | S | 49.2 | Very low | 56.2 | Low | 104 Ų | 104 | 81.6 Ų | 81.6 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.3 | -178.2 | -34.1 | 0 | 0 | 0 | 0 | 113.7 | N844 | N844-S846 PolarHBondContact O-N 3.15Š|
| 847 | E | 48.1 | Very low | 56.1 | Low | 94 Ų | 94 | 72.4 Ų | 72.4 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -108.9 | -13.2 | -179.2 | -65.5 | -172.9 | 178.8 | 0 | 0 | 113.4 | T845 M849 | T845-E847 VanDerWaalsContact C-N 3.26Å; T845-E847 PolarHBondContact O-N 3.01Å; E847-M849 VanDerWaalsContact C-N 3.33Å; E847-M849 PolarHBondContact O-N 3.18Å |
| 848 | V | 49.7 | Very low | 55.9 | Low | 55 Ų | 55 | 74 Ų | 74 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | trans | -89.3 | 76.5 | 170.2 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | P850 V900 | V848-P850 WeakPolarHBondContact O-CD 3.07Å; V848-V900 HydrophobicContact CG2-CB 4.36Å; V848-V900 HydrophobicContact CG2-CG1 3.62Å; V848-V900 HydrophobicContact CG2-CG2 3.75Å | ||
| 849 | M | 47.4 | Very low | 55.1 | Low | 111 Ų | 111 | 76.5 Ų | 76.5 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | trans | -81.7 | 121.8 | -179 | -157.4 | 176.7 | 121 | 0 | 0 | 108.2 | E847 L851 | E847-M849 VanDerWaalsContact C-N 3.33Å; E847-M849 PolarHBondContact O-N 3.18Å; M849-L851 HydrophobicContact CB-CD1 3.33Å; M849-L851 HydrophobicContact CE-CD1 3.07Å; M849-L851 HydrophobicContact CE-CD2 4.24Å; M849-L851 HydrophobicContact CE-CG 3.54Å; M849-L851 HydrophobicContact CG-CD1 3.36Å; M849-L851 PolarHBondContact O-N 2.89Å; M849-L851 HydrophobicContact SD-CD1 3.51Å; M849-L851 VanDerWaalsContact SD-CD1 3.51Å | ||
| 850 | P | 48.4 | Very low | 54.1 | Low | 122 Ų | 122 | 73.4 Ų | 73.4 | 79% | 0.792 | 41% | 0.407 | S | S | * | . | trans | -72.8 | 81.2 | 170.3 | 28.8 | -29.8 | 0 | 0 | 0 | 107.4 | V848 | V848-P850 WeakPolarHBondContact O-CD 3.07Š| ||
| 851 | L | 47.7 | Very low | 52.7 | Low | 23 Ų | 23 | 75.3 Ų | 75.3 | 12% | 0.12 | 42% | 0.415 | C | S | . | . | trans | -75.1 | 127.4 | 175.7 | -93.4 | 73.6 | 0 | 0 | 0 | 108.8 | M849 L853 C855 L856 | M849-L851 HydrophobicContact CB-CD1 3.33Å; M849-L851 HydrophobicContact CE-CD1 3.07Å; M849-L851 HydrophobicContact CE-CD2 4.24Å; M849-L851 HydrophobicContact CE-CG 3.54Å; M849-L851 HydrophobicContact CG-CD1 3.36Å; M849-L851 PolarHBondContact O-N 2.89Å; M849-L851 HydrophobicContact SD-CD1 3.51Å; M849-L851 VanDerWaalsContact SD-CD1 3.51Å; L851-L853 PolarHBondContact O-N 2.89Å; L851-C855 HydrophobicContact CD2-CB 3.5Å; L851-C855 HydrophobicContact CG-CB 3.94Å; L851-L856 HydrophobicContact CD2-CG 4.3Å | ||
| 852 | E | 50.6 | Low | 51.1 | Low | 158 Ų | 158 | 76.2 Ų | 76.2 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | trans | -51.2 | 130.8 | 149.9 | -67.6 | -173.4 | 166.4 | 0 | 0 | 108 | T854 C855 | E852-T854 PolarHBondContact O-N 2.73Å; E852-T854 PolarHBondContact O-OG1 2.82Å; E852-C855 PolarHBondContact O-N 2.94Å; E852-C855 VanDerWaalsContact O-N 3.08Å | ||
| 853 | L | 49.9 | Very low | 49.7 | Very low | 37 Ų | 37 | 79.7 Ų | 79.7 | 19% | 0.194 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -18.6 | -174.6 | -94 | 73.4 | 0 | 0 | 0 | 114.4 | P785 S787 L788 V791 L851 C855 | P785-L853 HydrophobicContact CB-CD2 3.92Å; P785-L853 HydrophobicContact CG-CB 4.2Å; P785-L853 HydrophobicContact CG-CD2 4.05Å; P785-L853 HydrophobicContact CG-CG 4.29Å; P785-L853 WeakPolarHBondContact O-CB 3.38Å; P785-L853 WeakPolarHBondContact O-CD2 3.39Å; S787-L853 VanDerWaalsContact C-CD2 3.4Å; S787-L853 VanDerWaalsContact O-CD2 3.28Å; S787-L853 WeakPolarHBondContact O-CD2 3.36Å; L788-L853 HydrophobicContact CD2-CD1 4.14Å; V791-L853 HydrophobicContact CG2-CD2 4.45Å; L851-L853 PolarHBondContact O-N 2.89Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 3.23Å |
| 854 | T | 44.1 | Very low | 48.7 | Very low | 77 Ų | 77 | 79.9 Ų | 79.9 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -20.3 | 177 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | E852 T857 | E852-T854 PolarHBondContact O-N 2.73Å; E852-T854 PolarHBondContact O-OG1 2.82Å; T854-T857 PolarHBondContact O-OG1 3.06Å |
| 855 | C | 43.9 | Very low | 48 | Very low | 54 Ų | 54 | 78 Ų | 78 | 37% | 0.365 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -93.6 | -24.6 | -175 | -172.1 | 0 | 0 | 0 | 0 | 113.8 | L851 E852 L853 T857 F858 T859 | L851-C855 HydrophobicContact CD2-CB 3.5Å; L851-C855 HydrophobicContact CG-CB 3.94Å; E852-C855 PolarHBondContact O-N 2.94Å; E852-C855 VanDerWaalsContact O-N 3.08Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 3.23Å; C855-T857 VanDerWaalsContact C-N 3.25Å; C855-T857 PolarHBondContact O-N 2.79Å; C855-F858 PolarHBondContact O-N 2.93Å; C855-T859 PolarHBondContact O-N 3.4Å; C855-T859 PolarHBondContact O-OG1 3.2Å |
| 856 | L | 50 | Low | 47.3 | Very low | 21 Ų | 21 | 81.9 Ų | 81.9 | 11% | 0.11 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.7 | -33.4 | 178.2 | -80.8 | 161.3 | 0 | 0 | 0 | 113 | L851 T859 I924 | L851-L856 HydrophobicContact CD2-CG 4.3Å; L856-T859 PolarHBondContact O-OG1 2.78Å; L856-I924 HydrophobicContact CD2-CD1 4.06Å |
| 857 | T | 47.8 | Very low | 47 | Very low | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.043 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.3 | -37 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | G783 N784 P785 T854 C855 T859 C860 L861 | G783-T857 WeakPolarHBondContact O-CB 3.36Å; G783-T857 WeakPolarHBondContact O-CG2 3.44Å; G783-T857 PolarHBondContact O-OG1 2.64Å; N784-T857 PolarHBondContact OD1-OG1 2.93Å; P785-T857 HydrophobicContact CG-CG2 4.38Å; T854-T857 PolarHBondContact O-OG1 3.06Å; C855-T857 VanDerWaalsContact C-N 3.25Å; C855-T857 PolarHBondContact O-N 2.79Å; T857-T859 PolarHBondContact O-N 2.05Å; T857-C860 PolarHBondContact O-N 3.07Å; T857-L861 WeakPolarHBondContact O-CB 3.34Å; T857-L861 WeakPolarHBondContact O-CD1 3.33Å; T857-L861 PolarHBondContact O-N 3.14Å |
| 858 | F | 46.5 | Very low | 46.8 | Very low | 135 Ų | 135 | 79 Ų | 79 | 59% | 0.592 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 179.6 | -141.8 | -98.1 | 0 | 0 | 0 | 112.1 | C855 Q862 | C855-F858 PolarHBondContact O-N 2.93Å; F858-Q862 HydrophobicContact CD1-CG 4.2Å; F858-Q862 HydrophobicContact CE1-CG 4.33Å; F858-Q862 WeakPolarHBondContact O-CB 3.32Å; F858-Q862 VanDerWaalsContact O-CG 3.28Å; F858-Q862 WeakPolarHBondContact O-CG 3.31Å; F858-Q862 PolarHBondContact O-N 2.82Å; F858-Q862 VanDerWaalsContact O-N 3.09Å |
| 859 | T | 49.5 | Very low | 46.7 | Very low | 76 Ų | 76 | 80.9 Ų | 80.9 | 47% | 0.466 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.3 | -38.4 | 179 | 34.3 | 0 | 0 | 0 | 0 | 114 | C855 L856 T857 | C855-T859 PolarHBondContact O-N 3.4Å; C855-T859 PolarHBondContact O-OG1 3.2Å; L856-T859 PolarHBondContact O-OG1 2.78Å; T857-T859 PolarHBondContact O-N 2.05Å |
| 860 | C | 49.8 | Very low | 46.4 | Very low | 10 Ų | 10 | 78.8 Ų | 78.8 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -83.7 | -29.5 | -179.4 | -139.3 | 0 | 0 | 0 | 0 | 111.8 | T857 L926 C927 | T857-C860 PolarHBondContact O-N 3.07Å; C860-L926 HydrophobicContact CB-CD2 4.23Å; C860-C927 WeakPolarHBondContact CB-SG 3.48Å; C860-C927 VanDerWaalsContact SG-CA 3.51Å; C860-C927 WeakPolarHBondContact SG-CB 3.5Å; C860-C927 CovalentContact SG-SG 2.08Å; C860-C927 PolarHBondContact SG-SG 3.13Å |
| 861 | L | 47.9 | Very low | 46.2 | Very low | 68 Ų | 68 | 76.4 Ų | 76.4 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -77.7 | -29.8 | 174.5 | -84 | 148.6 | 0 | 0 | 0 | 114.3 | T857 L863 V864 L869 | T857-L861 WeakPolarHBondContact O-CB 3.34Å; T857-L861 WeakPolarHBondContact O-CD1 3.33Å; T857-L861 PolarHBondContact O-N 3.14Å; L861-L863 PolarHBondContact O-N 2.78Å; L861-L863 VanDerWaalsContact O-N 3.15Å; L861-V864 PolarHBondContact O-N 2.93Å; L861-V864 VanDerWaalsContact O-N 3.14Å; L861-L869 HydrophobicContact CD2-CD1 4.47Å |
| 862 | Q | 46.5 | Very low | 46.2 | Very low | 147 Ų | 147 | 79 Ų | 79 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.5 | 177 | -85 | -152.6 | -9.2 | 0 | 0 | 113.8 | F858 | F858-Q862 HydrophobicContact CD1-CG 4.2Å; F858-Q862 HydrophobicContact CE1-CG 4.33Å; F858-Q862 WeakPolarHBondContact O-CB 3.32Å; F858-Q862 VanDerWaalsContact O-CG 3.28Å; F858-Q862 WeakPolarHBondContact O-CG 3.31Å; F858-Q862 PolarHBondContact O-N 2.82Å; F858-Q862 VanDerWaalsContact O-N 3.09Å |
| 863 | L | 48.4 | Very low | 45.6 | Very low | 113 Ų | 113 | 76.1 Ų | 76.1 | 59% | 0.592 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -14.9 | 176.9 | -87.4 | 144.8 | 0 | 0 | 0 | 114 | L861 | L861-L863 PolarHBondContact O-N 2.78Å; L861-L863 VanDerWaalsContact O-N 3.15Å |
| 864 | V | 45.3 | Very low | 45 | Very low | 56 Ų | 56 | 81.9 Ų | 81.9 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -114.5 | 85.1 | 177.8 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | L861 N866 A867 | L861-V864 PolarHBondContact O-N 2.93Å; L861-V864 VanDerWaalsContact O-N 3.14Å; V864-N866 PolarHBondContact O-N 3.28Å; V864-N866 VanDerWaalsContact O-N 3.13Å; V864-A867 HydrophobicContact CG1-CB 3.69Å |
| 865 | G | 43.8 | Very low | 44.6 | Very low | 71 Ų | 71 | 84 Ų | 84 | 73% | 0.732 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 122.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | A867 | G865-A867 PolarHBondContact O-N 2.88Š|
| 866 | N | 39 | Very low | 44.3 | Very low | 180 Ų | 180 | 87.4 Ų | 87.4 | 96% | 0.963 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.5 | 37.7 | 172.4 | -91.3 | 10 | 0 | 0 | 0 | 117.3 | V864 | V864-N866 PolarHBondContact O-N 3.28Å; V864-N866 VanDerWaalsContact O-N 3.13Å |
| 867 | A | 42.9 | Very low | 43.8 | Very low | 52 Ų | 52 | 95.8 Ų | 95.8 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | trans | -90.1 | 119.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | V864 G865 | V864-A867 HydrophobicContact CG1-CB 3.69Å; G865-A867 PolarHBondContact O-N 2.88Å | ||
| 868 | S | 44.3 | Very low | 43.3 | Very low | 85 Ų | 85 | 103 Ų | 103 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | trans | -60.7 | 142.7 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 111 | A870 A871 | S868-A870 PolarHBondContact O-N 3.43Å; S868-A871 PolarHBondContact O-N 3Å | ||
| 869 | L | 47.2 | Very low | 42.9 | Very low | 95 Ų | 95 | 105.4 Ų | 105.4 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -49.8 | -15.2 | 171.2 | -107.2 | 92.3 | 0 | 0 | 0 | 113.7 | P781 L861 A871 | P781-L869 WeakPolarHBondContact O-CD2 3.3Å; L861-L869 HydrophobicContact CD2-CD1 4.47Å; L869-A871 PolarHBondContact O-N 3.46Å |
| 870 | A | 41.5 | Very low | 42.3 | Very low | 67 Ų | 67 | 110.5 Ų | 110.5 | 55% | 0.554 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -68.8 | -12.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S868 V872 S873 | S868-A870 PolarHBondContact O-N 3.43Å; A870-V872 VanDerWaalsContact C-N 3.31Å; A870-S873 PolarHBondContact O-OG 3.14Å |
| 871 | A | 44 | Very low | 41.7 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -77.7 | -12.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | S868 L869 | S868-A871 PolarHBondContact O-N 3Å; L869-A871 PolarHBondContact O-N 3.46Å |
| 872 | V | 46.4 | Very low | 41.5 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 47% | 0.473 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -84.3 | -10.3 | -177.2 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | P781 A870 | P781-V872 HydrophobicContact CG-CG1 4.39Å; A870-V872 VanDerWaalsContact C-N 3.31Å |
| 873 | S | 39.4 | Very low | 41.4 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -98.4 | 7.3 | -173.4 | 60.9 | 0 | 0 | 0 | 0 | 115.9 | A870 | A870-S873 PolarHBondContact O-OG 3.14Š|
| 874 | Q | 36.3 | Very low | 41.4 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -96.2 | 127.5 | 172.3 | -69.8 | -164.7 | -11.1 | 0 | 0 | 111.2 | I876 | Q874-I876 PolarHBondContact O-N 3.17Š|
| 875 | P | 35.6 | Very low | 42 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | -71 | 105.9 | 169.9 | 29.2 | -28.4 | 0 | 0 | 0 | 107.5 | Q877 | P875-Q877 PolarHBondContact O-N 3.31Š| ||
| 876 | I | 37.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 65% | 0.651 | 71% | 0.71 | S | S | * | * | trans | -67.2 | 100.4 | 171.3 | -59.7 | 174.6 | 0 | 0 | 0 | 106.6 | Q874 Q878 | Q874-I876 PolarHBondContact O-N 3.17Å; I876-Q878 VanDerWaalsContact C-N 3.34Å; I876-Q878 HydrophobicContact CG2-CB 4.06Å; I876-Q878 PolarHBondContact O-N 2.76Å; I876-Q878 VanDerWaalsContact O-N 3.08Å | ||
| 877 | Q | 40 | Very low | 44.4 | Very low | 196 Ų | 196 | 124.2 Ų | 124.2 | 92% | 0.916 | 68% | 0.68 | S | S | * | * | trans | -68.9 | 95.7 | 159.8 | -85 | -178.6 | -17.4 | 0 | 0 | 107.5 | P875 | P875-Q877 PolarHBondContact O-N 3.31Š| ||
| 878 | Q | 38.5 | Very low | 46 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -130.1 | 127.4 | 161.5 | -116.9 | 171 | -16.4 | 0 | 0 | 109.7 | I876 E880 | I876-Q878 VanDerWaalsContact C-N 3.34Å; I876-Q878 HydrophobicContact CG2-CB 4.06Å; I876-Q878 PolarHBondContact O-N 2.76Å; I876-Q878 VanDerWaalsContact O-N 3.08Å; Q878-E880 PolarHBondContact O-N 2.9Å | ||
| 879 | E | 38.4 | Very low | 47.6 | Very low | 186 Ų | 186 | 124.4 Ų | 124.4 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | trans | -49.9 | 128.8 | -177 | -69 | 169.6 | 135.2 | 0 | 0 | 112.4 | T881 | E879-T881 PolarHBondContact O-N 3.36Š| ||
| 880 | E | 36.7 | Very low | 49.1 | Very low | 183 Ų | 183 | 119.9 Ų | 119.9 | 86% | 0.855 | 64% | 0.64 | S | S | * | * | trans | -64.2 | 95.2 | 166.7 | -78.5 | -175.9 | 141.6 | 0 | 0 | 110 | Q878 | Q878-E880 PolarHBondContact O-N 2.9Š| ||
| 881 | T | 37 | Very low | 51.1 | Low | 121 Ų | 121 | 118.9 Ų | 118.9 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | trans | -83.6 | 116.4 | 151.9 | 43.3 | 0 | 0 | 0 | 0 | 108.9 | E879 S883 | E879-T881 PolarHBondContact O-N 3.36Å; T881-S883 VanDerWaalsContact C-N 3.32Å; T881-S883 PolarHBondContact O-N 3.01Å | ||
| 882 | N | 44.1 | Very low | 52.8 | Low | 179 Ų | 179 | 116.9 Ų | 116.9 | 96% | 0.957 | 61% | 0.607 | S | S | * | * | trans | -42.8 | 86.3 | 166.9 | -93 | -28.2 | 0 | 0 | 0 | 112.3 | ||||
| 883 | S | 43.9 | Very low | 54.2 | Low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | trans | -106.1 | 130 | 160.6 | 54.7 | 0 | 0 | 0 | 0 | 107 | T881 R885 | T881-S883 VanDerWaalsContact C-N 3.32Å; T881-S883 PolarHBondContact O-N 3.01Å; S883-R885 PolarHBondContact O-N 2.71Å | ||
| 884 | L | 48.2 | Very low | 56 | Low | 177 Ų | 177 | 115.6 Ų | 115.6 | 93% | 0.927 | 60% | 0.601 | S | S | * | * | trans | -52.2 | 115.3 | 176 | -79.5 | 107.1 | 0 | 0 | 0 | 108.5 | Q886 | L884-Q886 PolarHBondContact O-N 3.43Š| ||
| 885 | R | 57 | Low | 57.7 | Low | 164 Ų | 164 | 114.2 Ų | 114.2 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -59.8 | 111.1 | 172.1 | -68.9 | -175.6 | -175.3 | 176 | 2.3 | 107.4 | S883 T887 | S883-R885 PolarHBondContact O-N 2.71Å; R885-T887 PolarHBondContact O-N 3.45Å | ||
| 886 | Q | 62.5 | Low | 59.5 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 66% | 0.659 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.1 | 179.1 | -172.2 | 173.7 | -7.2 | 0 | 0 | 108.6 | L884 L935 N936 | L884-Q886 PolarHBondContact O-N 3.43Å; Q886-L935 HydrophobicContact CB-CD2 4.19Å; Q886-N936 PolarHBondContact O-N 2.82Å |
| 887 | T | 71.1 | Confident | 61.4 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.8 | 174.8 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | R885 N936 D938 | R885-T887 PolarHBondContact O-N 3.45Å; T887-N936 CarbonylContact C-O 3.58Å; T887-N936 WeakPolarHBondContact CA-O 3.36Å; T887-N936 HydrophobicContact CG2-CB 4.13Å; T887-D938 HydrophobicContact CG2-CB 4.38Å; T887-D938 WeakPolarHBondContact CG2-OD1 3.25Å |
| 888 | I | 75.8 | Confident | 63.2 | Low | 31 Ų | 31 | 98.6 Ų | 98.6 | 16% | 0.159 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.9 | 175.2 | -64.2 | 177.7 | 0 | 0 | 0 | 108.3 | W821 V890 L935 N936 Y937 D938 | W821-I888 HydrophobicContact CH2-CD1 3.99Å; W821-I888 HydrophobicContact CZ2-CD1 4.19Å; W821-I888 HydrophobicContact CZ2-CG2 4.05Å; I888-V890 HydrophobicContact CG2-CG2 4.11Å; I888-L935 HydrophobicContact CD1-CD1 3.75Å; I888-N936 PolarHBondContact N-O 3.34Å; I888-Y937 HydrophobicContact CB-CD1 3.91Å; I888-Y937 HydrophobicContact CB-CE1 4.12Å; I888-Y937 HydrophobicContact CD1-CE1 3.91Å; I888-Y937 HydrophobicContact CG2-CD1 4.12Å; I888-Y937 HydrophobicContact CG2-CE1 4.24Å; I888-Y937 CarbonylContact O-C 3.45Å; I888-Y937 WeakPolarHBondContact O-CA 3.38Å; I888-D938 PolarHBondContact O-N 3.24Å |
| 889 | H | 78.8 | Confident | 65.3 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.5 | 173.5 | -56.2 | -72.4 | 0 | 0 | 0 | 110 | D938 I940 | H889-D938 IonicContact CE1-OD2 3.98Å; H889-D938 PolarHBondContact CE1-OD2 3.3Å; H889-D938 WeakPolarHBondContact ND1-CB 3.29Å; H889-D938 IonicContact ND1-OD2 3.18Å; H889-D938 PolarHBondContact ND1-OD2 3.03Å; H889-I940 HydrophobicContact CB-CD1 4.13Å |
| 890 | V | 79.4 | Confident | 67.4 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 105.3 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | P818 W821 L826 I888 T897 Y937 D938 L939 I940 | P818-V890 HydrophobicContact CB-CG1 4.05Å; W821-V890 HydrophobicContact CB-CG1 4.37Å; W821-V890 HydrophobicContact CG-CG2 4.37Å; L826-V890 HydrophobicContact CD1-CG1 3.89Å; L826-V890 HydrophobicContact CD1-CG2 4.17Å; I888-V890 HydrophobicContact CG2-CG2 4.11Å; V890-T897 HydrophobicContact CG1-CG2 3.63Å; V890-Y937 HydrophobicContact CG2-CD1 4.2Å; V890-D938 PolarHBondContact N-O 3.26Å; V890-L939 HydrophobicContact CB-CD2 3.86Å; V890-L939 HydrophobicContact CG1-CD2 4.35Å; V890-L939 HydrophobicContact CG2-CD2 4.02Å; V890-I940 PolarHBondContact O-N 3.4Å |
| 891 | N | 82.4 | Confident | 69.7 | Low | 46 Ų | 46 | 80.1 Ų | 80.1 | 25% | 0.246 | 44% | 0.439 | C | S | . | . | trans | -128.6 | 163 | 176.5 | 68.8 | 32.4 | 0 | 0 | 0 | 111.2 | S893 S894 T897 I940 | N891-S893 PolarHBondContact O-N 3.14Å; N891-S893 PolarHBondContact OD1-N 2.95Å; N891-S893 VanDerWaalsContact OD1-N 3.13Å; N891-S894 PolarHBondContact OD1-N 3.37Å; N891-T897 WeakPolarHBondContact O-CB 3.37Å; N891-T897 WeakPolarHBondContact O-CG2 3.23Å; N891-T897 PolarHBondContact O-OG1 3.09Å; N891-I940 HydrophobicContact CB-CB 4.04Å; N891-I940 HydrophobicContact CB-CG2 4.45Å | ||
| 892 | C | 79.8 | Confident | 72.1 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 6.6 | -179.3 | -65.2 | 0 | 0 | 0 | 0 | 115.1 | D816 C899 | D816-C892 HydrophobicContact CB-CB 3.95Å; C892-C899 WeakPolarHBondContact CA-SG 3.37Å; C892-C899 HydrophobicContact CB-CB 3.77Å; C892-C899 WeakPolarHBondContact CB-SG 3.35Å; C892-C899 WeakPolarHBondContact SG-CB 3.43Å; C892-C899 CovalentContact SG-SG 2.02Å; C892-C899 PolarHBondContact SG-SG 2.88Å |
| 893 | S | 77 | Confident | 74.1 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.5 | 176 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | N891 | N891-S893 PolarHBondContact O-N 3.14Å; N891-S893 PolarHBondContact OD1-N 2.95Å; N891-S893 VanDerWaalsContact OD1-N 3.13Å |
| 894 | S | 76.1 | Confident | 76.2 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -88 | 137.9 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | N891 E896 T897 | N891-S894 PolarHBondContact OD1-N 3.37Å; S894-E896 PolarHBondContact O-N 2.64Å; S894-E896 PolarHBondContact OG-N 2.79Å; S894-T897 PolarHBondContact O-N 3.14Å |
| 895 | S | 72.5 | Confident | 78 | Confident | 129 Ų | 129 | 58.1 Ų | 58.1 | 90% | 0.902 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.9 | 172.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 896 | E | 73 | Confident | 79.3 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -10 | 175.8 | -60.1 | -171.1 | 175.4 | 0 | 0 | 112.8 | W821 R822 S894 | W821-E896 CarbonylContact C-O 3.52Å; W821-E896 WeakPolarHBondContact CA-O 3.42Å; R822-E896 HydrophobicContact CG-CB 4.2Å; R822-E896 IonicContact CZ-OE2 3.83Å; R822-E896 PolarHBondContact N-O 3.31Å; R822-E896 IonicContact NE-OE1 3.53Å; R822-E896 IonicContact NE-OE2 2.75Å; R822-E896 PolarHBondContact NE-OE2 3.38Å; R822-E896 IonicContact NH2-OE1 3.39Å; R822-E896 IonicContact NH2-OE2 3.44Å; R822-E896 PolarHBondContact NH2-OE2 3.06Å; S894-E896 PolarHBondContact O-N 2.64Å; S894-E896 PolarHBondContact OG-N 2.79Å |
| 897 | T | 76.6 | Confident | 80.2 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.3 | -177.1 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | P818 T820 V890 N891 S894 | P818-T897 HydrophobicContact CB-CG2 3.9Å; T820-T897 CarbonylContact O-C 3.53Å; T820-T897 VanDerWaalsContact O-CA 3.26Å; T820-T897 WeakPolarHBondContact O-CA 3.19Å; T820-T897 WeakPolarHBondContact O-CG2 3.49Å; V890-T897 HydrophobicContact CG1-CG2 3.63Å; N891-T897 WeakPolarHBondContact O-CB 3.37Å; N891-T897 WeakPolarHBondContact O-CG2 3.23Å; N891-T897 PolarHBondContact O-OG1 3.09Å; S894-T897 PolarHBondContact O-N 3.14Å |
| 898 | G | 79.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S819 T820 | S819-G898 PolarHBondContact N-O 3.44Å; T820-G898 PolarHBondContact N-O 3.1Å; T820-G898 PolarHBondContact O-N 3.47Å; T820-G898 WeakPolarHBondContact OG1-CA 3.22Å; T820-G898 PolarHBondContact OG1-N 3.26Å; T820-G898 VanDerWaalsContact OG1-N 3.16Å |
| 899 | C | 82.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.2 | -170.4 | -73.1 | 0 | 0 | 0 | 0 | 113.2 | F817 C892 | F817-C899 CarbonylContact O-C 3.46Å; F817-C899 VanDerWaalsContact O-CA 3.31Å; F817-C899 WeakPolarHBondContact O-CA 3.3Å; C892-C899 WeakPolarHBondContact CA-SG 3.37Å; C892-C899 HydrophobicContact CB-CB 3.77Å; C892-C899 WeakPolarHBondContact CB-SG 3.35Å; C892-C899 WeakPolarHBondContact SG-CB 3.43Å; C892-C899 CovalentContact SG-SG 2.02Å; C892-C899 PolarHBondContact SG-SG 2.88Å |
| 900 | V | 82.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.1 | 173.9 | -175 | 0 | 0 | 0 | 0 | 108.2 | F817 V848 F902 | F817-V900 PolarHBondContact N-O 3.09Å; F817-V900 PolarHBondContact O-N 3.41Å; V848-V900 HydrophobicContact CG2-CB 4.36Å; V848-V900 HydrophobicContact CG2-CG1 3.62Å; V848-V900 HydrophobicContact CG2-CG2 3.75Å; V900-F902 HydrophobicContact CB-CE2 4Å; V900-F902 HydrophobicContact CB-CZ 4.33Å; V900-F902 HydrophobicContact CG1-CD2 4.32Å; V900-F902 HydrophobicContact CG1-CE1 4.28Å; V900-F902 HydrophobicContact CG1-CE2 3.62Å; V900-F902 HydrophobicContact CG1-CZ 3.59Å |
| 901 | R | 85.3 | Confident | 80.9 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.2 | 177.3 | 177.6 | 168.3 | -69.5 | 163.2 | -0 | 110.5 | T814 M815 D816 T842 V843 E903 | T814-R901 HydrophobicContact CG2-CG 3.99Å; M815-R901 CarbonylContact O-C 3.56Å; M815-R901 WeakPolarHBondContact O-CA 3.24Å; D816-R901 WeakPolarHBondContact OD1-CG 3.43Å; D816-R901 IonicContact OD1-CZ 3.7Å; D816-R901 IonicContact OD1-NE 3.9Å; D816-R901 PolarHBondContact OD1-NE 3.08Å; D816-R901 IonicContact OD1-NH2 2.8Å; D816-R901 PolarHBondContact OD1-NH2 3.32Å; D816-R901 IonicContact OD2-CZ 2.95Å; D816-R901 IonicContact OD2-NE 2.86Å; D816-R901 IonicContact OD2-NH2 3.38Å; D816-R901 PolarHBondContact OD2-NH2 2.85Å; T842-R901 WeakPolarHBondContact CA-O 3.07Å; V843-R901 HydrophobicContact CB-CB 4.23Å; V843-R901 HydrophobicContact CB-CG 4.22Å; V843-R901 PolarHBondContact N-O 3.18Å; R901-E903 HydrophobicContact CG-CG 4.44Å |
| 902 | F | 85.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.7 | 174.1 | -58.2 | -93.8 | 0 | 0 | 0 | 109.4 | T814 M815 F817 V829 P833 Q841 T842 V900 I919 | T814-F902 CarbonylContact C-O 3.52Å; T814-F902 WeakPolarHBondContact CA-O 3.4Å; M815-F902 HydrophobicContact CB-CB 4.35Å; M815-F902 HydrophobicContact CE-CB 4Å; M815-F902 PolarHBondContact N-O 2.83Å; M815-F902 PolarHBondContact O-N 3.07Å; F817-F902 HydrophobicContact CB-CD2 4.39Å; F817-F902 HydrophobicContact CB-CE2 3.91Å; V829-F902 HydrophobicContact CG1-CZ 4Å; P833-F902 HydrophobicContact CG-CD1 4.14Å; Q841-F902 WeakPolarHBondContact O-CA 3.44Å; T842-F902 HydrophobicContact CG2-CD1 3.4Å; T842-F902 HydrophobicContact CG2-CE1 3.31Å; T842-F902 HydrophobicContact CG2-CG 4.39Å; T842-F902 HydrophobicContact CG2-CZ 4.24Å; V900-F902 HydrophobicContact CB-CE2 4Å; V900-F902 HydrophobicContact CB-CZ 4.33Å; V900-F902 HydrophobicContact CG1-CD2 4.32Å; V900-F902 HydrophobicContact CG1-CE1 4.28Å; V900-F902 HydrophobicContact CG1-CE2 3.62Å; V900-F902 HydrophobicContact CG1-CZ 3.59Å; F902-I919 HydrophobicContact CD2-CD1 3.57Å; F902-I919 HydrophobicContact CD2-CG1 4.49Å; F902-I919 HydrophobicContact CE2-CD1 3.82Å; F902-I919 HydrophobicContact CE2-CG2 4.09Å; F902-I919 HydrophobicContact CG-CD1 4.14Å; F902-I919 HydrophobicContact CZ-CG2 4.14Å |
| 903 | E | 87.6 | Confident | 80.6 | Confident | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.7 | 173.8 | -69.8 | -175.9 | -171.4 | 0 | 0 | 108.9 | L813 T814 C840 Q841 V843 R901 | L813-E903 CarbonylContact O-C 3.58Å; L813-E903 WeakPolarHBondContact O-CA 3.48Å; T814-E903 HydrophobicContact CG2-CG 4.21Å; C840-E903 CarbonylContact C-O 3.53Å; C840-E903 WeakPolarHBondContact CA-O 3.28Å; Q841-E903 PolarHBondContact N-O 3.05Å; Q841-E903 PolarHBondContact O-N 3.33Å; V843-E903 HydrophobicContact CG2-CB 4.35Å; V843-E903 HydrophobicContact CG2-CG 3.84Å; R901-E903 HydrophobicContact CG-CG 4.44Å |
| 904 | C | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.4 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | L813 M815 S839 C840 | L813-C904 HydrophobicContact CB-CB 4.39Å; L813-C904 PolarHBondContact N-O 3.35Å; L813-C904 PolarHBondContact O-N 3.28Å; M815-C904 HydrophobicContact CE-CB 4.31Å; M815-C904 VanDerWaalsContact CE-SG 3.54Å; S839-C904 WeakPolarHBondContact O-CA 3.38Å; C840-C904 HydrophobicContact CB-CB 4.13Å; C840-C904 WeakPolarHBondContact CB-SG 3.46Å; C840-C904 WeakPolarHBondContact SG-CB 3.27Å; C840-C904 CovalentContact SG-SG 2.04Å; C840-C904 PolarHBondContact SG-SG 3.21Å |
| 905 | D | 86.3 | Confident | 81.3 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.7 | 173 | -76.3 | -20 | 0 | 0 | 0 | 109.4 | R812 S839 | R812-D905 IonicContact CZ-OD1 3.87Å; R812-D905 IonicContact NE-OD1 3.05Å; R812-D905 PolarHBondContact NE-OD1 3.13Å; R812-D905 IonicContact NH2-OD1 2.69Å; R812-D905 PolarHBondContact NH2-OD1 3.45Å; R812-D905 IonicContact NH2-OD2 2.72Å; R812-D905 PolarHBondContact NH2-OD2 2.84Å; R812-D905 VanDerWaalsContact NH2-OD2 3.17Å; S839-D905 PolarHBondContact O-N 3.3Å |
| 906 | V | 83.9 | Confident | 81.8 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.6 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | I801 N810 A811 L838 L909 A915 | I801-V906 HydrophobicContact CG2-CG2 4.28Å; N810-V906 CarbonylContact C-O 3.59Å; N810-V906 VanDerWaalsContact CA-O 3.29Å; N810-V906 WeakPolarHBondContact CA-O 3.37Å; A811-V906 PolarHBondContact N-O 3.31Å; A811-V906 WeakPolarHBondContact O-CA 3.28Å; A811-V906 WeakPolarHBondContact O-CB 3.4Å; A811-V906 PolarHBondContact O-N 2.8Å; L838-V906 HydrophobicContact CD2-CB 4.21Å; L838-V906 HydrophobicContact CD2-CG1 4.21Å; L838-V906 HydrophobicContact CD2-CG2 3.65Å; V906-L909 HydrophobicContact CG1-CB 4.12Å; V906-L909 HydrophobicContact CG1-CD1 4.16Å; V906-L909 HydrophobicContact CG1-CD2 4.43Å; V906-L909 HydrophobicContact CG1-CG 4.47Å; V906-A915 HydrophobicContact CG1-CB 3.68Å; V906-A915 HydrophobicContact CG2-CB 4.14Å |
| 907 | M | 81.9 | Confident | 82.4 | Confident | 121 Ų | 121 | 43.3 Ų | 43.3 | 60% | 0.596 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 143 | -179.2 | -57.8 | -61.1 | -72.6 | 0 | 0 | 110.4 | N810 L909 | N810-M907 HydrophobicContact CB-CE 4.39Å; N810-M907 HydrophobicContact CB-SD 4.04Å; M907-L909 PolarHBondContact O-N 3Å |
| 908 | D | 78.6 | Confident | 82.7 | Confident | 92 Ų | 92 | 47.9 Ų | 47.9 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52 | 47.8 | 173.9 | -160.7 | 23 | 0 | 0 | 0 | 114.6 | S808 N810 G910 | S808-D908 WeakPolarHBondContact CB-OD1 3.38Å; N810-D908 PolarHBondContact OD1-N 3.45Å; D908-G910 PolarHBondContact O-N 2.67Å |
| 909 | L | 82.4 | Confident | 82.9 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 91.5 | 177.5 | -169.7 | 67.1 | 0 | 0 | 0 | 110.2 | L761 I801 N803 S808 V809 V906 M907 F913 A915 | L761-L909 HydrophobicContact CD2-CD2 3.9Å; I801-L909 HydrophobicContact CG1-CD2 4.36Å; I801-L909 HydrophobicContact CG2-CD2 4.37Å; N803-L909 HydrophobicContact CB-CD2 4.1Å; N803-L909 HydrophobicContact CB-CG 3.99Å; N803-L909 PolarHBondContact ND2-O 3.41Å; S808-L909 WeakPolarHBondContact CA-O 3.46Å; V809-L909 PolarHBondContact N-O 3.46Å; V809-L909 WeakPolarHBondContact O-CB 3.39Å; V809-L909 PolarHBondContact O-N 3.32Å; V906-L909 HydrophobicContact CG1-CB 4.12Å; V906-L909 HydrophobicContact CG1-CD1 4.16Å; V906-L909 HydrophobicContact CG1-CD2 4.43Å; V906-L909 HydrophobicContact CG1-CG 4.47Å; M907-L909 PolarHBondContact O-N 3Å; L909-F913 HydrophobicContact CD1-CB 4.08Å; L909-A915 HydrophobicContact CD1-CB 4.43Å |
| 910 | G | 80.3 | Confident | 82.9 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | trans | -70.8 | 168 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N803 S808 D908 G912 F913 | N803-G910 WeakPolarHBondContact CB-O 3.44Å; S808-G910 WeakPolarHBondContact OG-CA 3.23Å; D908-G910 PolarHBondContact O-N 2.67Å; G910-G912 PolarHBondContact O-N 3.1Å; G910-F913 WeakPolarHBondContact O-CB 3.44Å; G910-F913 PolarHBondContact O-N 2.82Å | ||
| 911 | R | 78.7 | Confident | 83 | Confident | 142 Ų | 142 | 46.6 Ų | 46.6 | 54% | 0.536 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 131.1 | 178.1 | -177 | -174.8 | -170.3 | -150.9 | -3.4 | 111.5 | D644 G805 F913 | D644-R911 WeakPolarHBondContact OD2-CD 3.26Å; D644-R911 IonicContact OD2-CZ 3.66Å; D644-R911 IonicContact OD2-NE 3.94Å; D644-R911 IonicContact OD2-NH1 3.09Å; D644-R911 PolarHBondContact OD2-NH1 2.93Å; G805-R911 VanDerWaalsContact O-CB 3.29Å; G805-R911 WeakPolarHBondContact O-CB 3.27Å; G805-R911 VanDerWaalsContact O-CG 3.27Å; G805-R911 WeakPolarHBondContact O-CG 3.48Å; R911-F913 WeakPolarHBondContact O-CD2 3.23Å; R911-F913 PolarHBondContact O-N 3.22Å; R911-F913 VanDerWaalsContact O-N 3.16Å |
| 912 | G | 76.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -16.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | R802 N803 G910 | R802-G912 PolarHBondContact NE-O 3.1Å; N803-G912 WeakPolarHBondContact O-CA 3.37Å; N803-G912 PolarHBondContact O-N 3.04Å; G910-G912 PolarHBondContact O-N 3.1Å |
| 913 | F | 80.6 | Confident | 82.5 | Confident | 122 Ų | 122 | 43.9 Ų | 43.9 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | trans | -73 | 148.7 | 174.3 | -70.4 | -89.1 | 0 | 0 | 0 | 111 | R802 N803 L909 G910 R911 | R802-F913 WeakPolarHBondContact CA-O 3.41Å; N803-F913 PolarHBondContact N-O 2.74Å; L909-F913 HydrophobicContact CD1-CB 4.08Å; G910-F913 WeakPolarHBondContact O-CB 3.44Å; G910-F913 PolarHBondContact O-N 2.82Å; R911-F913 WeakPolarHBondContact O-CD2 3.23Å; R911-F913 PolarHBondContact O-N 3.22Å; R911-F913 VanDerWaalsContact O-N 3.16Å | ||
| 914 | S | 83.9 | Confident | 82 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.2 | 171.4 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | E800 I801 | E800-S914 WeakPolarHBondContact OE1-CB 3.15Å; E800-S914 PolarHBondContact OE1-OG 2.93Å; I801-S914 CarbonylContact O-C 3.59Å; I801-S914 WeakPolarHBondContact O-CA 3.22Å; I801-S914 VanDerWaalsContact O-CB 3.24Å; I801-S914 WeakPolarHBondContact O-CB 3.44Å |
| 915 | A | 82.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 170 | 0 | 0 | 0 | 0 | 0 | 108.4 | E800 I801 L838 V906 L909 | E800-A915 WeakPolarHBondContact CA-O 3.41Å; I801-A915 HydrophobicContact CG2-CB 3.78Å; I801-A915 PolarHBondContact N-O 3.31Å; I801-A915 PolarHBondContact O-N 2.77Å; L838-A915 HydrophobicContact CD1-CB 4.2Å; L838-A915 HydrophobicContact CD2-CB 4.05Å; V906-A915 HydrophobicContact CG1-CB 3.68Å; V906-A915 HydrophobicContact CG2-CB 4.14Å; L909-A915 HydrophobicContact CD1-CB 4.43Å |
| 916 | V | 83.9 | Confident | 80.1 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.1 | -175.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | V798 Y799 E800 K918 | V798-V916 HydrophobicContact CG1-CG1 3.5Å; Y799-V916 CarbonylContact O-C 3.2Å; Y799-V916 WeakPolarHBondContact O-CA 3.36Å; E800-V916 HydrophobicContact CB-CG2 4.22Å; E800-V916 HydrophobicContact CG-CG2 4.02Å; V916-K918 HydrophobicContact CG1-CG 4.41Å |
| 917 | V | 83.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.1 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V798 Y799 L813 M815 P833 | V798-V917 CarbonylContact C-O 3.57Å; V798-V917 WeakPolarHBondContact CA-O 3.49Å; Y799-V917 PolarHBondContact N-O 3.03Å; Y799-V917 PolarHBondContact O-N 3Å; L813-V917 HydrophobicContact CD2-CB 4.27Å; L813-V917 HydrophobicContact CD2-CG2 3.63Å; M815-V917 HydrophobicContact CE-CB 4.25Å; M815-V917 HydrophobicContact CE-CG1 3.7Å; M815-V917 HydrophobicContact CE-CG2 4.33Å; M815-V917 HydrophobicContact SD-CB 3.84Å; M815-V917 HydrophobicContact SD-CG1 3.58Å; M815-V917 VanDerWaalsContact SD-CG1 3.58Å; M815-V917 HydrophobicContact SD-CG2 4.42Å; P833-V917 HydrophobicContact CB-CG1 3.37Å; P833-V917 HydrophobicContact CG-CG1 3.63Å |
| 918 | K | 83.8 | Confident | 78.2 | Confident | 114 Ų | 114 | 36.2 Ų | 36.2 | 50% | 0.496 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.8 | 178.9 | -60.4 | -174.1 | -179.1 | 176.8 | 0 | 110.7 | H797 V798 P833 V916 | H797-K918 WeakPolarHBondContact O-CA 3.48Å; V798-K918 HydrophobicContact CG1-CG 4.17Å; V798-K918 HydrophobicContact CG2-CG 4.11Å; P833-K918 WeakPolarHBondContact CB-O 3.31Å; V916-K918 HydrophobicContact CG1-CG 4.41Å |
| 919 | I | 83.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.7 | 174.5 | -56.5 | 178.2 | 0 | 0 | 0 | 108 | E796 H797 Y799 M815 F817 F902 | E796-I919 WeakPolarHBondContact CA-O 3.39Å; H797-I919 PolarHBondContact N-O 2.95Å; H797-I919 PolarHBondContact O-N 2.99Å; Y799-I919 HydrophobicContact CE2-CD1 3.91Å; Y799-I919 HydrophobicContact CE2-CG1 4.4Å; M815-I919 HydrophobicContact CB-CD1 4.11Å; M815-I919 HydrophobicContact SD-CD1 4.25Å; F817-I919 HydrophobicContact CD1-CG2 4.39Å; F817-I919 HydrophobicContact CD2-CB 4.35Å; F817-I919 HydrophobicContact CD2-CD1 4.22Å; F817-I919 HydrophobicContact CD2-CG2 3.87Å; F817-I919 HydrophobicContact CE1-CG2 4.38Å; F817-I919 HydrophobicContact CE2-CB 4.31Å; F817-I919 HydrophobicContact CE2-CG2 3.88Å; F817-I919 HydrophobicContact CG-CG2 4.11Å; F817-I919 HydrophobicContact CZ-CG2 4.12Å; F902-I919 HydrophobicContact CD2-CD1 3.57Å; F902-I919 HydrophobicContact CD2-CG1 4.49Å; F902-I919 HydrophobicContact CE2-CD1 3.82Å; F902-I919 HydrophobicContact CE2-CG2 4.09Å; F902-I919 HydrophobicContact CG-CD1 4.14Å; F902-I919 HydrophobicContact CZ-CG2 4.14Å |
| 920 | S | 83.6 | Confident | 76.1 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 12% | 0.119 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.6 | -179.8 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | M795 E796 I830 | M795-S920 WeakPolarHBondContact O-CA 3.4Å; E796-S920 PolarHBondContact OE1-OG 2.75Å; I830-S920 PolarHBondContact N-O 3.48Å |
| 921 | A | 82.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | M795 F817 L827 Y828 | M795-A921 HydrophobicContact CE-CB 4.22Å; M795-A921 HydrophobicContact CG-CB 4.33Å; M795-A921 VanDerWaalsContact CG-O 3.23Å; M795-A921 WeakPolarHBondContact CG-O 3.09Å; M795-A921 PolarHBondContact N-O 3.31Å; M795-A921 PolarHBondContact O-N 3.33Å; F817-A921 HydrophobicContact CE1-CB 3.84Å; F817-A921 HydrophobicContact CZ-CB 3.85Å; L827-A921 HydrophobicContact CB-CB 4.33Å; Y828-A921 CarbonylContact O-C 3.52Å; Y828-A921 WeakPolarHBondContact O-CA 3.49Å; Y828-A921 WeakPolarHBondContact O-CB 3.42Å |
| 922 | R | 81.7 | Confident | 73.8 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.9 | 170.5 | -87.3 | 177.5 | -167.1 | -104 | 10.8 | 111.2 | L788 G792 P793 L794 Y828 I830 | L788-R922 WeakPolarHBondContact O-CD 3.35Å; L788-R922 PolarHBondContact O-NE 3.36Å; G792-R922 WeakPolarHBondContact O-CD 3.2Å; G792-R922 WeakPolarHBondContact O-CG 3.38Å; G792-R922 PolarHBondContact O-NH1 3.03Å; P793-R922 WeakPolarHBondContact O-CA 3.45Å; L794-R922 HydrophobicContact CB-CG 4.37Å; L794-R922 HydrophobicContact CD1-CG 4.29Å; Y828-R922 PolarHBondContact N-O 3.11Å; Y828-R922 PolarHBondContact O-N 3.11Å; I830-R922 HydrophobicContact CD1-CB 3.98Å; I830-R922 HydrophobicContact CD1-CG 3.46Å; I830-R922 VanDerWaalsContact CD1-CG 3.46Å |
| 923 | L | 79.4 | Confident | 72.7 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.1 | 175.4 | -173.4 | 71.6 | 0 | 0 | 0 | 109.9 | I772 L774 V791 G792 P793 L827 I925 F928 L939 | I772-L923 HydrophobicContact CD1-CD2 4.42Å; I772-L923 HydrophobicContact CG2-CD2 4.22Å; L774-L923 HydrophobicContact CD2-CD2 4.44Å; V791-L923 VanDerWaalsContact O-O 3.14Å; G792-L923 VanDerWaalsContact CA-O 3.29Å; G792-L923 WeakPolarHBondContact CA-O 3.04Å; P793-L923 HydrophobicContact CG-CB 4.15Å; P793-L923 HydrophobicContact CG-CD2 4.42Å; P793-L923 PolarHBondContact O-N 2.98Å; P793-L923 VanDerWaalsContact O-N 3.1Å; L827-L923 HydrophobicContact CD2-CB 4.49Å; L827-L923 HydrophobicContact CD2-CD1 3.88Å; L923-I925 PolarHBondContact O-N 3.33Å; L923-I925 VanDerWaalsContact O-N 3.16Å; L923-F928 HydrophobicContact CD1-CD2 4.2Å; L923-F928 HydrophobicContact CD1-CE2 3.4Å; L923-F928 VanDerWaalsContact CD1-CE2 3.4Å; L923-F928 HydrophobicContact CD1-CZ 3.73Å; L923-F928 HydrophobicContact CG-CD2 4.39Å; L923-F928 HydrophobicContact CG-CE2 4.05Å; L923-L939 HydrophobicContact CD1-CD1 4.33Å |
| 924 | I | 76.3 | Confident | 71.7 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | trans | -85.4 | 89.1 | 179.6 | -59.2 | 165.3 | 0 | 0 | 0 | 109.3 | V791 F825 L826 L856 L926 C927 F928 | V791-I924 HydrophobicContact CG1-CG1 3.84Å; F825-I924 HydrophobicContact CB-CD1 3.49Å; F825-I924 VanDerWaalsContact CB-CD1 3.49Å; L826-I924 PolarHBondContact O-N 3.4Å; L826-I924 VanDerWaalsContact O-N 3.1Å; L856-I924 HydrophobicContact CD2-CD1 4.06Å; I924-L926 VanDerWaalsContact C-N 3.28Å; I924-L926 PolarHBondContact O-N 3.1Å; I924-C927 PolarHBondContact O-N 2.9Å; I924-F928 WeakPolarHBondContact O-CD2 3.5Å | ||
| 925 | I | 69.1 | Low | 70.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | -172.3 | -67.4 | 174.4 | 0 | 0 | 0 | 112.4 | L774 H776 W779 V791 P793 L923 C927 F928 V929 | L774-I925 HydrophobicContact CD2-CD1 4.33Å; L774-I925 HydrophobicContact CD2-CG1 4.07Å; L774-I925 HydrophobicContact CD2-CG2 4.31Å; H776-I925 HydrophobicContact CB-CD1 3.74Å; W779-I925 HydrophobicContact CB-CD1 4.22Å; W779-I925 HydrophobicContact CD2-CB 4.1Å; W779-I925 HydrophobicContact CD2-CD1 3.84Å; W779-I925 HydrophobicContact CD2-CG2 3.86Å; W779-I925 HydrophobicContact CE3-CB 4.29Å; W779-I925 HydrophobicContact CE3-CD1 4.48Å; W779-I925 HydrophobicContact CE3-CG2 3.57Å; W779-I925 HydrophobicContact CG-CD1 3.68Å; W779-I925 HydrophobicContact CH2-CB 3.97Å; W779-I925 HydrophobicContact CH2-CG2 3.65Å; W779-I925 HydrophobicContact CZ2-CB 3.77Å; W779-I925 HydrophobicContact CZ2-CG2 3.95Å; W779-I925 HydrophobicContact CZ3-CB 4.23Å; W779-I925 HydrophobicContact CZ3-CG2 3.46Å; W779-I925 VanDerWaalsContact CZ3-CG2 3.46Å; V791-I925 PolarHBondContact O-N 2.68Å; P793-I925 HydrophobicContact CG-CD1 4.34Å; L923-I925 PolarHBondContact O-N 3.33Å; L923-I925 VanDerWaalsContact O-N 3.16Å; I925-C927 PolarHBondContact O-N 2.86Å; I925-C927 VanDerWaalsContact O-N 3.16Å; I925-F928 PolarHBondContact O-N 2.96Å; I925-F928 VanDerWaalsContact O-N 3.09Å; I925-V929 HydrophobicContact CG2-CG2 3.62Å; I925-V929 WeakPolarHBondContact O-CG2 3.02Å; I925-V929 PolarHBondContact O-N 2.78Å; I925-V929 VanDerWaalsContact O-N 3.07Å |
| 926 | L | 64.4 | Low | 70.4 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.9 | -40.1 | -174.1 | -173.7 | 66.1 | 0 | 0 | 0 | 112.7 | W779 P781 C860 I924 L930 | W779-L926 HydrophobicContact CH2-CB 4.24Å; W779-L926 HydrophobicContact CH2-CD1 4.31Å; W779-L926 HydrophobicContact CZ2-CB 4.47Å; P781-L926 HydrophobicContact CB-CD1 4.22Å; C860-L926 HydrophobicContact CB-CD2 4.23Å; I924-L926 VanDerWaalsContact C-N 3.28Å; I924-L926 PolarHBondContact O-N 3.1Å; L926-L930 HydrophobicContact CD1-CD1 3.77Å; L926-L930 HydrophobicContact CD1-CG 4.37Å; L926-L930 HydrophobicContact CG-CD1 3.82Å; L926-L930 WeakPolarHBondContact O-CB 3.46Å; L926-L930 WeakPolarHBondContact O-CD1 3.47Å; L926-L930 VanDerWaalsContact O-CG 3.27Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 2.91Å |
| 927 | C | 62.8 | Low | 70 | Confident | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -79.7 | -28.2 | -177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | C860 I924 I925 Q931 | C860-C927 WeakPolarHBondContact CB-SG 3.48Å; C860-C927 VanDerWaalsContact SG-CA 3.51Å; C860-C927 WeakPolarHBondContact SG-CB 3.5Å; C860-C927 CovalentContact SG-SG 2.08Å; C860-C927 PolarHBondContact SG-SG 3.13Å; I924-C927 PolarHBondContact O-N 2.9Å; I925-C927 PolarHBondContact O-N 2.86Å; I925-C927 VanDerWaalsContact O-N 3.16Å; C927-Q931 PolarHBondContact O-N 2.91Å |
| 928 | F | 63.3 | Low | 69.7 | Low | 15 Ų | 15 | 44 Ų | 44 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.7 | -40.4 | 172.5 | -76.5 | -93.7 | 0 | 0 | 0 | 112.6 | L774 L826 L923 I924 I925 T932 Y937 | L774-F928 HydrophobicContact CD1-CB 3.9Å; L774-F928 HydrophobicContact CD1-CD1 4.39Å; L774-F928 HydrophobicContact CD1-CG 4.2Å; L826-F928 HydrophobicContact CD2-CE1 4.27Å; L826-F928 HydrophobicContact CD2-CE2 3.77Å; L826-F928 HydrophobicContact CD2-CZ 3.52Å; L923-F928 HydrophobicContact CD1-CD2 4.2Å; L923-F928 HydrophobicContact CD1-CE2 3.4Å; L923-F928 VanDerWaalsContact CD1-CE2 3.4Å; L923-F928 HydrophobicContact CD1-CZ 3.73Å; L923-F928 HydrophobicContact CG-CD2 4.39Å; L923-F928 HydrophobicContact CG-CE2 4.05Å; I924-F928 WeakPolarHBondContact O-CD2 3.5Å; I925-F928 PolarHBondContact O-N 2.96Å; I925-F928 VanDerWaalsContact O-N 3.09Å; F928-T932 CarbonylContact O-C 3.49Å; F928-T932 PolarHBondContact O-N 2.99Å; F928-Y937 AromaticContact CD1-CD2 3.72Å; F928-Y937 HydrophobicContact CD1-CD2 3.72Å; F928-Y937 AromaticContact CD1-CE2 3.6Å; F928-Y937 HydrophobicContact CD1-CE2 3.6Å; F928-Y937 HydrophobicContact CD1-CG 4.47Å; F928-Y937 HydrophobicContact CE1-CD1 4.22Å; F928-Y937 AromaticContact CE1-CD2 3.4Å; F928-Y937 HydrophobicContact CE1-CD2 3.4Å; F928-Y937 HydrophobicContact CE1-CE1 4.42Å; F928-Y937 AromaticContact CE1-CE2 3.61Å; F928-Y937 HydrophobicContact CE1-CE2 3.61Å; F928-Y937 AromaticContact CE1-CG 3.7Å; F928-Y937 HydrophobicContact CE1-CG 3.7Å |
| 929 | V | 61.4 | Low | 69.5 | Low | 55 Ų | 55 | 39 Ų | 39 | 33% | 0.333 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -72 | -36.4 | -178.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | I925 | I925-V929 HydrophobicContact CG2-CG2 3.62Å; I925-V929 WeakPolarHBondContact O-CG2 3.02Å; I925-V929 PolarHBondContact O-N 2.78Å; I925-V929 VanDerWaalsContact O-N 3.07Å |
| 930 | L | 55.7 | Low | 69.5 | Low | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.366 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -82.2 | -30.2 | -175.8 | -72.7 | 171.8 | 0 | 0 | 0 | 114.8 | L926 | L926-L930 HydrophobicContact CD1-CD1 3.77Å; L926-L930 HydrophobicContact CD1-CG 4.37Å; L926-L930 HydrophobicContact CG-CD1 3.82Å; L926-L930 WeakPolarHBondContact O-CB 3.46Å; L926-L930 WeakPolarHBondContact O-CD1 3.47Å; L926-L930 VanDerWaalsContact O-CG 3.27Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 2.91Å |
| 931 | Q | 55 | Low | 69.6 | Low | 91 Ų | 91 | 39 Ų | 39 | 43% | 0.425 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -107.2 | -31.4 | -173.6 | -79.4 | 179.7 | -40.3 | 0 | 0 | 114.7 | H824 C927 | H824-Q931 PolarHBondContact CD2-OE1 3.47Å; H824-Q931 VanDerWaalsContact CD2-OE1 3.32Å; H824-Q931 PolarHBondContact NE2-NE2 3.31Å; C927-Q931 PolarHBondContact O-N 2.91Å |
| 932 | T | 55 | Low | 69.7 | Low | 33 Ų | 33 | 39.5 Ų | 39.5 | 20% | 0.202 | 20% | 0.202 | C | C | . | . | trans | -148.7 | 52.9 | -164.2 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | F928 Y934 L935 Y937 | F928-T932 CarbonylContact O-C 3.49Å; F928-T932 PolarHBondContact O-N 2.99Å; T932-Y934 PolarHBondContact O-N 3.06Å; T932-L935 HydrophobicContact CG2-CD1 3.94Å; T932-L935 PolarHBondContact O-N 3.01Å; T932-Y937 VanDerWaalsContact CB-OH 3.26Å; T932-Y937 WeakPolarHBondContact CB-OH 3.08Å; T932-Y937 VanDerWaalsContact CG2-OH 3.27Å; T932-Y937 WeakPolarHBondContact CG2-OH 3.01Å; T932-Y937 PolarHBondContact OG1-OH 2.8Å | ||
| 933 | S | 55.1 | Low | 69.9 | Low | 81 Ų | 81 | 37.6 Ų | 37.6 | 57% | 0.566 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 2.6 | -178.2 | 45.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 934 | Y | 57.9 | Low | 70.3 | Confident | 165 Ų | 165 | 41 Ų | 41 | 65% | 0.647 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.9 | 6.5 | -174.2 | -53.1 | -76.5 | 0 | 0 | 0 | 115.3 | T932 | T932-Y934 PolarHBondContact O-N 3.06Š|
| 935 | L | 66.4 | Low | 70.8 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | trans | -110.7 | 145.4 | -176.5 | -64 | 173.2 | 0 | 0 | 0 | 112.2 | Q886 I888 T932 Y937 | Q886-L935 HydrophobicContact CB-CD2 4.19Å; I888-L935 HydrophobicContact CD1-CD1 3.75Å; T932-L935 HydrophobicContact CG2-CD1 3.94Å; T932-L935 PolarHBondContact O-N 3.01Å; L935-Y937 HydrophobicContact CB-CE2 3.98Å | ||
| 936 | N | 73.2 | Confident | 71.6 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 33% | 0.326 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 144.1 | 171.4 | -65.3 | -22.9 | 0 | 0 | 0 | 109.1 | Q886 T887 I888 | Q886-N936 PolarHBondContact O-N 2.82Å; T887-N936 CarbonylContact C-O 3.58Å; T887-N936 WeakPolarHBondContact CA-O 3.36Å; T887-N936 HydrophobicContact CG2-CB 4.13Å; I888-N936 PolarHBondContact N-O 3.34Å |
| 937 | Y | 75.4 | Confident | 72.5 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 9% | 0.09 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.4 | 179.5 | -67.2 | -93 | 0 | 0 | 0 | 110.6 | I888 V890 F928 T932 L935 W968 | I888-Y937 HydrophobicContact CB-CD1 3.91Å; I888-Y937 HydrophobicContact CB-CE1 4.12Å; I888-Y937 HydrophobicContact CD1-CE1 3.91Å; I888-Y937 HydrophobicContact CG2-CD1 4.12Å; I888-Y937 HydrophobicContact CG2-CE1 4.24Å; I888-Y937 CarbonylContact O-C 3.45Å; I888-Y937 WeakPolarHBondContact O-CA 3.38Å; V890-Y937 HydrophobicContact CG2-CD1 4.2Å; F928-Y937 AromaticContact CD1-CD2 3.72Å; F928-Y937 HydrophobicContact CD1-CD2 3.72Å; F928-Y937 AromaticContact CD1-CE2 3.6Å; F928-Y937 HydrophobicContact CD1-CE2 3.6Å; F928-Y937 HydrophobicContact CD1-CG 4.47Å; F928-Y937 HydrophobicContact CE1-CD1 4.22Å; F928-Y937 AromaticContact CE1-CD2 3.4Å; F928-Y937 HydrophobicContact CE1-CD2 3.4Å; F928-Y937 HydrophobicContact CE1-CE1 4.42Å; F928-Y937 AromaticContact CE1-CE2 3.61Å; F928-Y937 HydrophobicContact CE1-CE2 3.61Å; F928-Y937 AromaticContact CE1-CG 3.7Å; F928-Y937 HydrophobicContact CE1-CG 3.7Å; T932-Y937 VanDerWaalsContact CB-OH 3.26Å; T932-Y937 WeakPolarHBondContact CB-OH 3.08Å; T932-Y937 VanDerWaalsContact CG2-OH 3.27Å; T932-Y937 WeakPolarHBondContact CG2-OH 3.01Å; T932-Y937 PolarHBondContact OG1-OH 2.8Å; L935-Y937 HydrophobicContact CB-CE2 3.98Å; Y937-W968 VanDerWaalsContact O-CE3 3.29Å; Y937-W968 WeakPolarHBondContact O-CZ3 3.39Å |
| 938 | D | 77.6 | Confident | 73.3 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.9 | 169.9 | -70 | 0.7 | 0 | 0 | 0 | 108 | T887 I888 H889 V890 | T887-D938 HydrophobicContact CG2-CB 4.38Å; T887-D938 WeakPolarHBondContact CG2-OD1 3.25Å; I888-D938 PolarHBondContact O-N 3.24Å; H889-D938 IonicContact CE1-OD2 3.98Å; H889-D938 PolarHBondContact CE1-OD2 3.3Å; H889-D938 WeakPolarHBondContact ND1-CB 3.29Å; H889-D938 IonicContact ND1-OD2 3.18Å; H889-D938 PolarHBondContact ND1-OD2 3.03Å; V890-D938 PolarHBondContact N-O 3.26Å |
| 939 | L | 80.3 | Confident | 74 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.8 | 177.3 | -54.7 | 178 | 0 | 0 | 0 | 108.3 | M795 L826 L827 V890 L923 W968 | M795-L939 HydrophobicContact SD-CD1 4.45Å; L826-L939 HydrophobicContact CD1-CD2 4.27Å; L827-L939 HydrophobicContact CD1-CD1 3.83Å; L827-L939 HydrophobicContact CD2-CD1 3.91Å; L827-L939 HydrophobicContact CG-CD1 4.07Å; V890-L939 HydrophobicContact CB-CD2 3.86Å; V890-L939 HydrophobicContact CG1-CD2 4.35Å; V890-L939 HydrophobicContact CG2-CD2 4.02Å; L923-L939 HydrophobicContact CD1-CD1 4.33Å; L939-W968 PolarHBondContact O-N 3.02Å |
| 940 | I | 82.9 | Confident | 74.8 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.7 | -173.5 | -53.5 | 175.4 | 0 | 0 | 0 | 109.5 | H889 V890 N891 Q965 V966 V967 | H889-I940 HydrophobicContact CB-CD1 4.13Å; V890-I940 PolarHBondContact O-N 3.4Å; N891-I940 HydrophobicContact CB-CB 4.04Å; N891-I940 HydrophobicContact CB-CG2 4.45Å; I940-Q965 HydrophobicContact CG2-CB 4.39Å; I940-V966 WeakPolarHBondContact CA-O 3.41Å; I940-V967 HydrophobicContact CD1-CG1 4.34Å; I940-V967 HydrophobicContact CD1-CG2 4.24Å; I940-V967 HydrophobicContact CG1-CB 4.48Å; I940-V967 HydrophobicContact CG1-CG1 4.21Å; I940-V967 HydrophobicContact CG1-CG2 4.22Å; I940-V967 HydrophobicContact CG2-CG2 4.13Å |
| 941 | S | 85.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.6 | 171.8 | 65 | 0 | 0 | 0 | 0 | 110.4 | H797 Y799 D816 V966 | H797-S941 PolarHBondContact CE1-OG 2.87Å; H797-S941 PolarHBondContact ND1-OG 3.44Å; Y799-S941 WeakPolarHBondContact OH-CB 3.1Å; Y799-S941 PolarHBondContact OH-OG 2.03Å; D816-S941 WeakPolarHBondContact O-CA 3.5Å; D816-S941 WeakPolarHBondContact O-CB 3.39Å; S941-V966 PolarHBondContact N-O 2.87Å; S941-V966 VanDerWaalsContact N-O 3.16Å; S941-V966 PolarHBondContact O-N 2.99Å |
| 942 | S | 85.1 | Confident | 76.5 | Confident | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.9 | -177.5 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | M815 D816 T964 | M815-S942 CarbonylContact C-O 3.49Å; M815-S942 WeakPolarHBondContact CA-O 3.43Å; D816-S942 PolarHBondContact N-O 3.27Å; D816-S942 PolarHBondContact O-N 3.4Å; D816-S942 VanDerWaalsContact O-N 3.08Å; S942-T964 WeakPolarHBondContact CA-O 3.39Å |
| 943 | A | 85.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I763 Y799 L813 T814 M815 H963 T964 | I763-A943 HydrophobicContact CD1-CB 3.68Å; Y799-A943 HydrophobicContact CD1-CB 3.44Å; Y799-A943 VanDerWaalsContact CD1-CB 3.44Å; Y799-A943 HydrophobicContact CE1-CB 3.47Å; Y799-A943 VanDerWaalsContact CE1-CB 3.47Å; Y799-A943 HydrophobicContact CG-CB 4.25Å; L813-A943 HydrophobicContact CD1-CB 4.42Å; T814-A943 CarbonylContact O-C 3.42Å; T814-A943 VanDerWaalsContact O-CA 3.28Å; T814-A943 WeakPolarHBondContact O-CA 3.33Å; M815-A943 HydrophobicContact CG-CB 3.68Å; A943-H963 CarbonylContact O-C 3.52Å; A943-H963 WeakPolarHBondContact O-CA 3.39Å; A943-T964 HydrophobicContact CB-CG2 4.12Å; A943-T964 PolarHBondContact N-O 2.9Å; A943-T964 PolarHBondContact O-N 3.03Å |
| 944 | F | 87.6 | Confident | 78.3 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.1 | -177.6 | -54.4 | -87.4 | 0 | 0 | 0 | 109.1 | L813 T814 G962 H963 | L813-F944 CarbonylContact C-O 3.52Å; L813-F944 WeakPolarHBondContact CA-O 3.36Å; T814-F944 PolarHBondContact N-O 2.91Å; T814-F944 PolarHBondContact O-N 2.8Å; F944-G962 WeakPolarHBondContact CA-O 3.49Å; F944-H963 HydrophobicContact CD1-CB 3.47Å; F944-H963 VanDerWaalsContact CD1-CB 3.47Å; F944-H963 HydrophobicContact CE1-CB 3.58Å |
| 945 | Y | 87.9 | Confident | 79.2 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.9 | 171 | 75.5 | -98.9 | 0 | 0 | 0 | 112 | L761 I763 I801 R812 T960 S961 G962 | L761-Y945 HydrophobicContact CB-CD2 4.2Å; L761-Y945 HydrophobicContact CB-CE1 4.2Å; L761-Y945 HydrophobicContact CB-CE2 3.54Å; L761-Y945 HydrophobicContact CD1-CD2 3.78Å; L761-Y945 HydrophobicContact CD1-CE2 3.77Å; L761-Y945 HydrophobicContact CG-CE2 4.2Å; L761-Y945 PolarHBondContact O-OH 3.01Å; I763-Y945 HydrophobicContact CB-CD1 3.84Å; I763-Y945 HydrophobicContact CB-CE1 4.11Å; I763-Y945 HydrophobicContact CD1-CD1 4.42Å; I763-Y945 HydrophobicContact CG2-CD1 3.79Å; I763-Y945 HydrophobicContact CG2-CE1 3.85Å; I801-Y945 HydrophobicContact CD1-CD1 4.08Å; I801-Y945 HydrophobicContact CD1-CD2 4.15Å; I801-Y945 HydrophobicContact CD1-CG 3.66Å; R812-Y945 CarbonylContact O-C 3.56Å; R812-Y945 WeakPolarHBondContact O-CA 3.45Å; Y945-T960 VanDerWaalsContact CE2-O 3.32Å; Y945-T960 WeakPolarHBondContact CE2-O 3.24Å; Y945-S961 WeakPolarHBondContact O-CA 3.43Å; Y945-G962 VanDerWaalsContact CZ-N 3.31Å; Y945-G962 PolarHBondContact N-O 3.09Å; Y945-G962 PolarHBondContact O-N 2.96Å |
| 946 | D | 85.5 | Confident | 79.4 | Confident | 86 Ų | 86 | 38.1 Ų | 38.1 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.6 | 172.4 | -68.4 | -54.5 | 0 | 0 | 0 | 109.8 | A811 R812 I948 | A811-D946 CarbonylContact C-O 3.47Å; A811-D946 VanDerWaalsContact CA-O 3.27Å; A811-D946 WeakPolarHBondContact CA-O 3.36Å; R812-D946 PolarHBondContact N-O 3.24Å; R812-D946 PolarHBondContact O-N 2.83Å; D946-I948 PolarHBondContact O-N 2.99Å |
| 947 | V | 83.2 | Confident | 78.8 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.9 | 169.6 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L761 V809 L959 | L761-V947 HydrophobicContact CD1-CG2 3.59Å; L761-V947 HydrophobicContact CG-CG2 4.37Å; V809-V947 HydrophobicContact CB-CG1 4.06Å; V809-V947 HydrophobicContact CG1-CG1 4.07Å; V947-L959 HydrophobicContact CB-CD2 3.92Å; V947-L959 HydrophobicContact CG1-CD2 3.72Å; V947-L959 WeakPolarHBondContact O-CD2 3.41Å |
| 948 | I | 80.2 | Confident | 78.1 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -50.5 | -178 | -52.9 | 164.8 | 0 | 0 | 0 | 110.1 | N810 R812 D946 | N810-I948 PolarHBondContact O-N 3.21Å; R812-I948 HydrophobicContact CB-CD1 3.92Å; R812-I948 HydrophobicContact CB-CG1 4.03Å; D946-I948 PolarHBondContact O-N 2.99Å |
| 949 | S | 77.9 | Confident | 77.3 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 162.2 | -173.2 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | N810 | N810-S949 WeakPolarHBondContact CB-O 3.46Å; N810-S949 PolarHBondContact N-O 2.88Å; N810-S949 PolarHBondContact ND2-OG 2.97Å; N810-S949 PolarHBondContact O-N 3.32Å |
| 950 | A | 77.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | trans | -102.5 | 145.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111 | S952 Q955 P956 | A950-S952 PolarHBondContact O-N 2.74Å; A950-Q955 PolarHBondContact O-NE2 3.2Å; A950-P956 HydrophobicContact CB-CG 4.4Å | ||
| 951 | P | 72.4 | Confident | 74.9 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -65 | -18.8 | 173.1 | 24.2 | -30.5 | 0 | 0 | 0 | 113.3 | S808 | S808-P951 WeakPolarHBondContact O-CD 3.32Š|
| 952 | S | 72.6 | Confident | 73.6 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -72.5 | 153.6 | 174.6 | 53 | 0 | 0 | 0 | 0 | 113.4 | E724 A950 V954 Q955 | E724-S952 WeakPolarHBondContact O-CA 3.45Å; A950-S952 PolarHBondContact O-N 2.74Å; S952-V954 VanDerWaalsContact C-N 3.3Å; S952-V954 PolarHBondContact O-N 3.29Å; S952-V954 PolarHBondContact OG-O 3.31Å; S952-Q955 PolarHBondContact O-NE2 3.29Å |
| 953 | K | 73.1 | Confident | 72.4 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -64.3 | -35.5 | 173.9 | -70.9 | -173.7 | -170.1 | 156.9 | 0 | 112.6 | E724 E725 E727 | E724-K953 PolarHBondContact O-N 3.33Å; E725-K953 WeakPolarHBondContact O-CD 3.47Å; E725-K953 WeakPolarHBondContact O-CE 3.4Å; E725-K953 PolarHBondContact O-NZ 3.47Å; E727-K953 HydrophobicContact CG-CD 4.46Å |
| 954 | V | 76.1 | Confident | 70.9 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -81 | 119.8 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | I642 E727 A757 S952 | I642-V954 HydrophobicContact CD1-CB 3.72Å; I642-V954 HydrophobicContact CD1-CG1 4.49Å; I642-V954 HydrophobicContact CD1-CG2 4.09Å; E727-V954 WeakPolarHBondContact O-CG2 3.23Å; A757-V954 HydrophobicContact CB-CG1 4.32Å; S952-V954 VanDerWaalsContact C-N 3.3Å; S952-V954 PolarHBondContact O-N 3.29Å; S952-V954 PolarHBondContact OG-O 3.31Å |
| 955 | Q | 77.1 | Confident | 69 | Low | 93 Ų | 93 | 67 Ų | 67 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 146.4 | 177.8 | -64.2 | -64.2 | -44.5 | 0 | 0 | 111 | A950 S952 | A950-Q955 PolarHBondContact O-NE2 3.2Å; S952-Q955 PolarHBondContact O-NE2 3.29Å |
| 956 | P | 69.6 | Low | 67.5 | Low | 16 Ų | 16 | 66.6 Ų | 66.6 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.4 | 175.5 | 25.5 | -32.1 | 0 | 0 | 0 | 111 | A757 A950 L958 | A757-P956 HydrophobicContact CB-CB 4.32Å; A757-P956 WeakPolarHBondContact O-CA 3.41Å; A950-P956 HydrophobicContact CB-CG 4.4Å; P956-L958 VanDerWaalsContact C-N 3.29Å; P956-L958 PolarHBondContact O-N 3.26Å |
| 957 | L | 60.6 | Low | 66 | Low | 156 Ų | 156 | 65.6 Ų | 65.6 | 82% | 0.817 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -70.1 | -21.8 | -176.2 | -93.5 | 122.5 | 0 | 0 | 0 | 114.1 | ||
| 958 | L | 60.7 | Low | 64.3 | Low | 137 Ų | 137 | 67.4 Ų | 67.4 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | trans | -128 | 113.6 | -179.8 | -139.6 | 84.6 | 0 | 0 | 0 | 109.2 | P956 T960 | P956-L958 VanDerWaalsContact C-N 3.29Å; P956-L958 PolarHBondContact O-N 3.26Å; L958-T960 PolarHBondContact O-N 3.38Å | ||
| 959 | L | 60.4 | Low | 62.4 | Low | 108 Ų | 108 | 72.1 Ų | 72.1 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | trans | -80.2 | 108.2 | 169.5 | -62.7 | 163.2 | 0 | 0 | 0 | 106.8 | V947 | V947-L959 HydrophobicContact CB-CD2 3.92Å; V947-L959 HydrophobicContact CG1-CD2 3.72Å; V947-L959 WeakPolarHBondContact O-CD2 3.41Å | ||
| 960 | T | 58.3 | Low | 60.5 | Low | 40 Ų | 40 | 73.8 Ų | 73.8 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | trans | -82.8 | 138.3 | -179.4 | 53 | 0 | 0 | 0 | 0 | 110.5 | Y945 L958 | Y945-T960 VanDerWaalsContact CE2-O 3.32Å; Y945-T960 WeakPolarHBondContact CE2-O 3.24Å; L958-T960 PolarHBondContact O-N 3.38Å | ||
| 961 | S | 55 | Low | 58.6 | Low | 90 Ų | 90 | 77.3 Ų | 77.3 | 63% | 0.629 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 170.5 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | Y945 | Y945-S961 WeakPolarHBondContact O-CA 3.43Å |
| 962 | G | 59.4 | Low | 56.9 | Low | 17 Ų | 17 | 80.9 Ų | 80.9 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F944 Y945 | F944-G962 WeakPolarHBondContact CA-O 3.49Å; Y945-G962 VanDerWaalsContact CZ-N 3.31Å; Y945-G962 PolarHBondContact N-O 3.09Å; Y945-G962 PolarHBondContact O-N 2.96Å |
| 963 | H | 59.6 | Low | 55.3 | Low | 138 Ų | 138 | 83.1 Ų | 83.1 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146 | 179.9 | 69.7 | -78.6 | 0 | 0 | 0 | 110.6 | A943 F944 | A943-H963 CarbonylContact O-C 3.52Å; A943-H963 WeakPolarHBondContact O-CA 3.39Å; F944-H963 HydrophobicContact CD1-CB 3.47Å; F944-H963 VanDerWaalsContact CD1-CB 3.47Å; F944-H963 HydrophobicContact CE1-CB 3.58Å |
| 964 | T | 53 | Low | 54 | Low | 30 Ų | 30 | 86 Ų | 86 | 18% | 0.184 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149 | 169.4 | -169 | 0 | 0 | 0 | 0 | 110.7 | I763 S942 A943 | I763-T964 HydrophobicContact CD1-CG2 3.96Å; I763-T964 HydrophobicContact CG1-CG2 3.86Å; I763-T964 HydrophobicContact CG2-CG2 4.08Å; S942-T964 WeakPolarHBondContact CA-O 3.39Å; A943-T964 HydrophobicContact CB-CG2 4.12Å; A943-T964 PolarHBondContact N-O 2.9Å; A943-T964 PolarHBondContact O-N 3.03Å |
| 965 | Q | 49.7 | Very low | 52.3 | Low | 118 Ų | 118 | 93.8 Ų | 93.8 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.7 | 173.7 | -68.5 | -175.6 | -28.4 | 0 | 0 | 108.2 | I940 | I940-Q965 HydrophobicContact CG2-CB 4.39Å |
| 966 | V | 55.8 | Low | 51 | Low | 6 Ų | 6 | 95 Ų | 95 | 4% | 0.036 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.3 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | Y799 I940 S941 | Y799-V966 HydrophobicContact CD1-CG2 4.1Å; Y799-V966 HydrophobicContact CE1-CG2 3.54Å; I940-V966 WeakPolarHBondContact CA-O 3.41Å; S941-V966 PolarHBondContact N-O 2.87Å; S941-V966 VanDerWaalsContact N-O 3.16Å; S941-V966 PolarHBondContact O-N 2.99Å |
| 967 | V | 52.6 | Low | 50.4 | Low | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.7 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | I940 R969 | I940-V967 HydrophobicContact CD1-CG1 4.34Å; I940-V967 HydrophobicContact CD1-CG2 4.24Å; I940-V967 HydrophobicContact CG1-CB 4.48Å; I940-V967 HydrophobicContact CG1-CG1 4.21Å; I940-V967 HydrophobicContact CG1-CG2 4.22Å; I940-V967 HydrophobicContact CG2-CG2 4.13Å; V967-R969 HydrophobicContact CG1-CB 4.41Å; V967-R969 PolarHBondContact O-N 3.48Å |
| 968 | W | 49.2 | Very low | 50.6 | Low | 50 Ų | 50 | 95 Ų | 95 | 19% | 0.189 | 52% | 0.519 | C | S | . | . | trans | -69.4 | 113.4 | 163.6 | -157.5 | 87.9 | 0 | 0 | 0 | 108.5 | P770 E771 I772 Y937 L939 | P770-W968 PolarHBondContact O-NE1 3.03Å; E771-W968 HydrophobicContact CB-CH2 4.43Å; E771-W968 HydrophobicContact CB-CZ2 4.22Å; I772-W968 HydrophobicContact CB-CZ2 4.04Å; I772-W968 HydrophobicContact CG1-CZ2 4.46Å; Y937-W968 VanDerWaalsContact O-CE3 3.29Å; Y937-W968 WeakPolarHBondContact O-CZ3 3.39Å; L939-W968 PolarHBondContact O-N 3.02Å | ||
| 969 | R | 39.9 | Very low | 51 | Low | 177 Ų | 177 | 94.5 Ų | 94.5 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | trans | -138.9 | 144.4 | -174.8 | -161.1 | -170.7 | -177.6 | 156.1 | 1.2 | 111 | V967 | V967-R969 HydrophobicContact CG1-CB 4.41Å; V967-R969 PolarHBondContact O-N 3.48Å | ||
| 970 | S | 36.8 | Very low | 51.4 | Low | 71 Ų | 71 | 91.6 Ų | 91.6 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | trans | -60.5 | 137.7 | 162.3 | 76.5 | 0 | 0 | 0 | 0 | 110 | D972 | S970-D972 PolarHBondContact O-N 2.9Š| ||
| 971 | P | 39.3 | Very low | 52.3 | Low | 81 Ų | 81 | 96.7 Ų | 96.7 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | trans | -61.3 | 130.5 | 152.2 | -3.6 | 19.5 | 0 | 0 | 0 | 105.7 | G973 | P971-G973 PolarHBondContact O-N 2.91Š| ||
| 972 | D | 36.2 | Very low | 53.3 | Low | 148 Ų | 148 | 96.9 Ų | 96.9 | 79% | 0.791 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -53.4 | 107 | 149.4 | -79.9 | -46.9 | 0 | 0 | 0 | 104.8 | S970 E974 | S970-D972 PolarHBondContact O-N 2.9Å; D972-E974 PolarHBondContact O-N 3.41Å |
| 973 | G | 39.3 | Very low | 54.2 | Low | 53 Ų | 53 | 100.4 Ų | 100.4 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | trans | -47.4 | 140.9 | -158.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P971 K975 | P971-G973 PolarHBondContact O-N 2.91Å; G973-K975 PolarHBondContact O-N 3.34Å | ||
| 974 | E | 45.3 | Very low | 55.4 | Low | 191 Ų | 191 | 99 Ų | 99 | 89% | 0.893 | 53% | 0.531 | S | S | * | . | trans | -49.8 | 103 | 149.6 | -73.9 | -171 | 157.5 | 0 | 0 | 106.4 | D972 P976 | D972-E974 PolarHBondContact O-N 3.41Å; E974-P976 VanDerWaalsContact O-N 3.16Å | ||
| 975 | K | 40.6 | Very low | 56.8 | Low | 186 Ų | 186 | 101.6 Ų | 101.6 | 81% | 0.809 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 125.6 | 176.6 | -73.2 | 179.7 | 179.4 | 175.4 | 0 | 105.8 | G973 V977 | G973-K975 PolarHBondContact O-N 3.34Å; K975-V977 PolarHBondContact O-N 2.75Å |
| 976 | P | 50 | Low | 58.6 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 125.6 | 172.8 | 21.6 | -31.2 | 0 | 0 | 0 | 107.2 | E974 P978 | E974-P976 VanDerWaalsContact O-N 3.16Å; P976-P978 VanDerWaalsContact O-CD 3.24Å; P976-P978 WeakPolarHBondContact O-CD 3.26Å |
| 977 | V | 57.3 | Low | 60.2 | Low | 96 Ų | 96 | 104.6 Ų | 104.6 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 118.9 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 106.9 | K975 I979 Y981 | K975-V977 PolarHBondContact O-N 2.75Å; V977-I979 PolarHBondContact O-N 3.4Å; V977-Y981 HydrophobicContact CG1-CD2 4.19Å; V977-Y981 HydrophobicContact CG1-CG 4.29Å |
| 978 | P | 64.4 | Low | 62.1 | Low | 76 Ų | 76 | 108.9 Ų | 108.9 | 49% | 0.494 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 133 | -177.4 | -27.5 | 31.9 | 0 | 0 | 0 | 109.7 | P976 G980 Y981 | P976-P978 VanDerWaalsContact O-CD 3.24Å; P976-P978 WeakPolarHBondContact O-CD 3.26Å; P978-G980 PolarHBondContact O-N 2.63Å; P978-Y981 HydrophobicContact CB-CD2 3.93Å; P978-Y981 HydrophobicContact CB-CE2 4.25Å; P978-Y981 HydrophobicContact CG-CD2 3.91Å; P978-Y981 HydrophobicContact CG-CE2 3.89Å; P978-Y981 PolarHBondContact O-N 3.44Å |
| 979 | I | 68.5 | Low | 64.1 | Low | 126 Ų | 126 | 108.4 Ų | 108.4 | 65% | 0.646 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -49.8 | -27.5 | -179 | -63.8 | 163.8 | 0 | 0 | 0 | 111.4 | V977 Y981 I982 I983 | V977-I979 PolarHBondContact O-N 3.4Å; I979-Y981 VanDerWaalsContact C-N 3.32Å; I979-Y981 PolarHBondContact O-N 3.26Å; I979-I982 PolarHBondContact O-N 3.4Å; I979-I982 VanDerWaalsContact O-N 3.17Å; I979-I983 HydrophobicContact CG2-CD1 3.79Å; I979-I983 HydrophobicContact CG2-CG1 4.16Å; I979-I983 WeakPolarHBondContact O-CG1 3.49Å; I979-I983 PolarHBondContact O-N 2.95Å |
| 980 | G | 70.1 | Confident | 66.6 | Low | 48 Ų | 48 | 104.9 Ų | 104.9 | 50% | 0.495 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -53.7 | -38.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | P978 L984 | P978-G980 PolarHBondContact O-N 2.63Å; G980-L984 VanDerWaalsContact O-CB 3.28Å; G980-L984 WeakPolarHBondContact O-CB 3.35Å; G980-L984 PolarHBondContact O-N 3.19Å |
| 981 | Y | 76.9 | Confident | 69.1 | Low | 147 Ų | 147 | 106.8 Ų | 106.8 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.7 | -34.5 | 177.1 | -70.5 | -77 | 0 | 0 | 0 | 112.5 | V977 P978 I979 L984 S985 | V977-Y981 HydrophobicContact CG1-CD2 4.19Å; V977-Y981 HydrophobicContact CG1-CG 4.29Å; P978-Y981 HydrophobicContact CB-CD2 3.93Å; P978-Y981 HydrophobicContact CB-CE2 4.25Å; P978-Y981 HydrophobicContact CG-CD2 3.91Å; P978-Y981 HydrophobicContact CG-CE2 3.89Å; P978-Y981 PolarHBondContact O-N 3.44Å; I979-Y981 VanDerWaalsContact C-N 3.32Å; I979-Y981 PolarHBondContact O-N 3.26Å; Y981-L984 PolarHBondContact O-N 3.46Å; Y981-S985 WeakPolarHBondContact O-CB 3.43Å; Y981-S985 PolarHBondContact O-N 2.76Å; Y981-S985 PolarHBondContact O-OG 2.85Å |
| 982 | I | 74.6 | Confident | 71.6 | Confident | 94 Ų | 94 | 107.6 Ų | 107.6 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.2 | -45.9 | 173.7 | -59.6 | 174.5 | 0 | 0 | 0 | 109.6 | I979 L984 S985 I986 | I979-I982 PolarHBondContact O-N 3.4Å; I979-I982 VanDerWaalsContact O-N 3.17Å; I982-L984 VanDerWaalsContact C-N 3.32Å; I982-L984 PolarHBondContact O-N 2.99Å; I982-S985 PolarHBondContact O-N 3.04Å; I982-I986 HydrophobicContact CG2-CD1 4.11Å; I982-I986 WeakPolarHBondContact O-CG1 3.14Å; I982-I986 PolarHBondContact O-N 3.24Å |
| 983 | I | 79.6 | Confident | 74.2 | Confident | 90 Ų | 90 | 105.3 Ų | 105.3 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 175.7 | -65.7 | 170.7 | 0 | 0 | 0 | 110.6 | I979 S985 I986 I987 | I979-I983 HydrophobicContact CG2-CD1 3.79Å; I979-I983 HydrophobicContact CG2-CG1 4.16Å; I979-I983 WeakPolarHBondContact O-CG1 3.49Å; I979-I983 PolarHBondContact O-N 2.95Å; I983-S985 PolarHBondContact O-N 3.25Å; I983-I986 PolarHBondContact O-N 2.73Å; I983-I987 HydrophobicContact CG2-CD1 3.82Å; I983-I987 HydrophobicContact CG2-CG1 4.44Å; I983-I987 VanDerWaalsContact O-CG1 3.31Å; I983-I987 WeakPolarHBondContact O-CG1 3.28Å; I983-I987 PolarHBondContact O-N 3.31Å |
| 984 | L | 84.2 | Confident | 76.5 | Confident | 109 Ų | 109 | 107 Ų | 107 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -43 | 177.7 | -161.1 | 81.7 | 0 | 0 | 0 | 111.6 | G980 Y981 I982 I987 F988 | G980-L984 VanDerWaalsContact O-CB 3.28Å; G980-L984 WeakPolarHBondContact O-CB 3.35Å; G980-L984 PolarHBondContact O-N 3.19Å; Y981-L984 PolarHBondContact O-N 3.46Å; I982-L984 VanDerWaalsContact C-N 3.32Å; I982-L984 PolarHBondContact O-N 2.99Å; L984-I987 PolarHBondContact O-N 3.16Å; L984-F988 WeakPolarHBondContact O-CB 3.31Å; L984-F988 PolarHBondContact O-N 2.66Å |
| 985 | S | 81.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -38.4 | 175.9 | -74.2 | 0 | 0 | 0 | 0 | 112.6 | Y981 I982 I983 F988 G989 | Y981-S985 WeakPolarHBondContact O-CB 3.43Å; Y981-S985 PolarHBondContact O-N 2.76Å; Y981-S985 PolarHBondContact O-OG 2.85Å; I982-S985 PolarHBondContact O-N 3.04Å; I983-S985 PolarHBondContact O-N 3.25Å; S985-F988 PolarHBondContact O-N 2.81Å; S985-G989 PolarHBondContact O-N 2.86Å |
| 986 | I | 88.5 | Confident | 80.8 | Confident | 100 Ų | 100 | 97.2 Ų | 97.2 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.1 | -67.3 | 166.5 | 0 | 0 | 0 | 110.6 | I982 I983 F988 G989 L990 | I982-I986 HydrophobicContact CG2-CD1 4.11Å; I982-I986 WeakPolarHBondContact O-CG1 3.14Å; I982-I986 PolarHBondContact O-N 3.24Å; I983-I986 PolarHBondContact O-N 2.73Å; I986-F988 VanDerWaalsContact C-N 3.34Å; I986-F988 PolarHBondContact O-N 3.28Å; I986-G989 PolarHBondContact O-N 2.92Å; I986-L990 HydrophobicContact CG2-CD1 4.03Å; I986-L990 WeakPolarHBondContact O-CG 3.28Å; I986-L990 PolarHBondContact O-N 2.81Å |
| 987 | I | 90 | Very high | 82.4 | Confident | 87 Ų | 87 | 94.5 Ų | 94.5 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.7 | -68.1 | 168.2 | 0 | 0 | 0 | 110.6 | I983 L984 L990 L991 | I983-I987 HydrophobicContact CG2-CD1 3.82Å; I983-I987 HydrophobicContact CG2-CG1 4.44Å; I983-I987 VanDerWaalsContact O-CG1 3.31Å; I983-I987 WeakPolarHBondContact O-CG1 3.28Å; I983-I987 PolarHBondContact O-N 3.31Å; L984-I987 PolarHBondContact O-N 3.16Å; I987-L990 PolarHBondContact O-N 2.87Å; I987-L991 HydrophobicContact CG2-CD1 4.09Å; I987-L991 WeakPolarHBondContact O-CB 3.37Å; I987-L991 PolarHBondContact O-N 2.84Å |
| 988 | F | 92 | Very high | 83.6 | Confident | 154 Ų | 154 | 95.3 Ų | 95.3 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 178.5 | -151.8 | -90.8 | 0 | 0 | 0 | 111.6 | L984 S985 I986 L991 L992 | L984-F988 WeakPolarHBondContact O-CB 3.31Å; L984-F988 PolarHBondContact O-N 2.66Å; S985-F988 PolarHBondContact O-N 2.81Å; I986-F988 VanDerWaalsContact C-N 3.34Å; I986-F988 PolarHBondContact O-N 3.28Å; F988-L991 PolarHBondContact O-N 2.96Å; F988-L992 WeakPolarHBondContact O-CB 3.22Å; F988-L992 PolarHBondContact O-N 3Å |
| 989 | G | 91 | Very high | 84.7 | Confident | 39 Ų | 39 | 95 Ų | 95 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S985 I986 L992 L993 | S985-G989 PolarHBondContact O-N 2.86Å; I986-G989 PolarHBondContact O-N 2.92Å; G989-L992 PolarHBondContact O-N 3.04Å; G989-L993 WeakPolarHBondContact O-CB 3.34Å; G989-L993 PolarHBondContact O-N 2.98Å |
| 990 | L | 91.7 | Very high | 85.3 | Confident | 103 Ų | 103 | 93.5 Ų | 93.5 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 176.4 | -73.3 | 170.5 | 0 | 0 | 0 | 112.5 | I986 I987 L993 C994 | I986-L990 HydrophobicContact CG2-CD1 4.03Å; I986-L990 WeakPolarHBondContact O-CG 3.28Å; I986-L990 PolarHBondContact O-N 2.81Å; I987-L990 PolarHBondContact O-N 2.87Å; L990-L993 PolarHBondContact O-N 3.13Å; L990-C994 PolarHBondContact O-N 3.29Å |
| 991 | L | 90.8 | Very high | 85.7 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.1 | -87 | 164.7 | 0 | 0 | 0 | 111.8 | I987 F988 L993 C994 L995 | I987-L991 HydrophobicContact CG2-CD1 4.09Å; I987-L991 WeakPolarHBondContact O-CB 3.37Å; I987-L991 PolarHBondContact O-N 2.84Å; F988-L991 PolarHBondContact O-N 2.96Å; L991-L993 VanDerWaalsContact C-N 3.33Å; L991-C994 PolarHBondContact O-N 3.38Å; L991-L995 WeakPolarHBondContact O-CB 3.4Å; L991-L995 PolarHBondContact O-N 3.18Å |
| 992 | L | 91.5 | Very high | 85.8 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.7 | -170.3 | 79.5 | 0 | 0 | 0 | 111.2 | F988 G989 L995 L996 | F988-L992 WeakPolarHBondContact O-CB 3.22Å; F988-L992 PolarHBondContact O-N 3Å; G989-L992 PolarHBondContact O-N 3.04Å; L992-L995 WeakPolarHBondContact O-CB 3.33Å; L992-L995 PolarHBondContact O-N 2.85Å; L992-L996 HydrophobicContact CG-CD1 4.41Å; L992-L996 WeakPolarHBondContact O-CG 3.44Å; L992-L996 PolarHBondContact O-N 2.86Å |
| 993 | L | 89.9 | Confident | 85.9 | Confident | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.7 | -172.5 | 73.3 | 0 | 0 | 0 | 111.7 | G989 L990 L991 L995 L996 C997 | G989-L993 WeakPolarHBondContact O-CB 3.34Å; G989-L993 PolarHBondContact O-N 2.98Å; L990-L993 PolarHBondContact O-N 3.13Å; L991-L993 VanDerWaalsContact C-N 3.33Å; L993-L995 VanDerWaalsContact C-N 3.33Å; L993-L995 PolarHBondContact O-N 3.35Å; L993-L996 PolarHBondContact O-N 3.33Å; L993-C997 PolarHBondContact O-N 2.92Å; L993-C997 PolarHBondContact O-SG 2.91Å |
| 994 | C | 88.2 | Confident | 85.5 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 175.2 | -92.1 | 0 | 0 | 0 | 0 | 112.3 | L990 L991 C997 F998 | L990-C994 PolarHBondContact O-N 3.29Å; L991-C994 PolarHBondContact O-N 3.38Å; C994-C997 PolarHBondContact O-N 3.05Å; C994-F998 WeakPolarHBondContact O-CB 3.36Å; C994-F998 PolarHBondContact O-N 2.79Å |
| 995 | L | 89.1 | Confident | 84.8 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 175 | -169.5 | 92.2 | 0 | 0 | 0 | 110.8 | L991 L992 L993 F998 I999 | L991-L995 WeakPolarHBondContact O-CB 3.4Å; L991-L995 PolarHBondContact O-N 3.18Å; L992-L995 WeakPolarHBondContact O-CB 3.33Å; L992-L995 PolarHBondContact O-N 2.85Å; L993-L995 VanDerWaalsContact C-N 3.33Å; L993-L995 PolarHBondContact O-N 3.35Å; L995-F998 PolarHBondContact O-N 3.22Å; L995-I999 HydrophobicContact CD2-CD1 4.08Å; L995-I999 HydrophobicContact CG-CD1 4.06Å; L995-I999 VanDerWaalsContact O-CG1 3.27Å; L995-I999 WeakPolarHBondContact O-CG1 3.33Å; L995-I999 PolarHBondContact O-N 3.27Å |
| 996 | L | 86.1 | Confident | 84.2 | Confident | 70 Ų | 70 | 101.3 Ų | 101.3 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.8 | -76.4 | 168 | 0 | 0 | 0 | 111.9 | L992 L993 F998 I999 F1000 | L992-L996 HydrophobicContact CG-CD1 4.41Å; L992-L996 WeakPolarHBondContact O-CG 3.44Å; L992-L996 PolarHBondContact O-N 2.86Å; L993-L996 PolarHBondContact O-N 3.33Å; L996-F998 VanDerWaalsContact C-N 3.31Å; L996-F998 PolarHBondContact O-N 3.48Å; L996-I999 PolarHBondContact O-N 2.95Å; L996-F1000 HydrophobicContact CB-CE2 4.36Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 WeakPolarHBondContact O-CD2 3.39Å; L996-F1000 WeakPolarHBondContact O-CG 3.39Å; L996-F1000 PolarHBondContact O-N 3.29Å |
| 997 | C | 83.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 107.3 Ų | 107.3 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 174.3 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | L993 C994 F1000 W1001 | L993-C997 PolarHBondContact O-N 2.92Å; L993-C997 PolarHBondContact O-SG 2.91Å; C994-C997 PolarHBondContact O-N 3.05Å; C997-F1000 PolarHBondContact O-N 3.44Å; C997-W1001 VanDerWaalsContact O-CB 3.28Å; C997-W1001 WeakPolarHBondContact O-CB 3.41Å; C997-W1001 PolarHBondContact O-N 3.02Å |
| 998 | F | 83.5 | Confident | 81.2 | Confident | 112 Ų | 112 | 113.7 Ų | 113.7 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.9 | -179.3 | -96.1 | 0 | 0 | 0 | 112 | C994 L995 L996 W1001 K1002 | C994-F998 WeakPolarHBondContact O-CB 3.36Å; C994-F998 PolarHBondContact O-N 2.79Å; L995-F998 PolarHBondContact O-N 3.22Å; L996-F998 VanDerWaalsContact C-N 3.31Å; L996-F998 PolarHBondContact O-N 3.48Å; F998-W1001 AromaticContact CD2-CE3 3.98Å; F998-W1001 HydrophobicContact CD2-CE3 3.98Å; F998-W1001 HydrophobicContact CD2-CZ3 4.27Å; F998-W1001 AromaticContact CE2-CE3 3.96Å; F998-W1001 HydrophobicContact CE2-CE3 3.96Å; F998-W1001 AromaticContact CE2-CZ3 3.83Å; F998-W1001 HydrophobicContact CE2-CZ3 3.83Å; F998-W1001 PolarHBondContact O-N 3.48Å; F998-K1002 HydrophobicContact CD1-CG 4.48Å; F998-K1002 HydrophobicContact CE1-CG 3.96Å; F998-K1002 HydrophobicContact CZ-CG 4.03Å; F998-K1002 WeakPolarHBondContact O-CB 3.44Å; F998-K1002 PolarHBondContact O-N 3.41Å |
| 999 | I | 85.9 | Confident | 79.1 | Confident | 70 Ų | 70 | 113 Ų | 113 | 36% | 0.359 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -49.4 | 174.2 | -70.9 | 166 | 0 | 0 | 0 | 109.9 | L995 L996 W1001 K1002 L1003 | L995-I999 HydrophobicContact CD2-CD1 4.08Å; L995-I999 HydrophobicContact CG-CD1 4.06Å; L995-I999 VanDerWaalsContact O-CG1 3.27Å; L995-I999 WeakPolarHBondContact O-CG1 3.33Å; L995-I999 PolarHBondContact O-N 3.27Å; L996-I999 PolarHBondContact O-N 2.95Å; I999-W1001 VanDerWaalsContact C-N 3.3Å; I999-W1001 PolarHBondContact O-N 2.78Å; I999-K1002 PolarHBondContact O-N 3.01Å; I999-K1002 VanDerWaalsContact O-N 3.17Å; I999-L1003 HydrophobicContact CG2-CD1 3.65Å; I999-L1003 HydrophobicContact CG2-CG 4.33Å; I999-L1003 WeakPolarHBondContact O-CB 3.44Å; I999-L1003 VanDerWaalsContact O-CG 3.3Å; I999-L1003 WeakPolarHBondContact O-CG 3.39Å; I999-L1003 PolarHBondContact O-N 2.65Å |
| 1000 | F | 81.5 | Confident | 77.1 | Confident | 95 Ų | 95 | 122.4 Ų | 122.4 | 42% | 0.417 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -35 | 177.5 | -68.8 | -39.7 | 0 | 0 | 0 | 112.9 | L996 C997 L1003 G1004 F1005 F1006 | L996-F1000 HydrophobicContact CB-CE2 4.36Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 WeakPolarHBondContact O-CD2 3.39Å; L996-F1000 WeakPolarHBondContact O-CG 3.39Å; L996-F1000 PolarHBondContact O-N 3.29Å; C997-F1000 PolarHBondContact O-N 3.44Å; F1000-L1003 PolarHBondContact O-N 2.7Å; F1000-G1004 PolarHBondContact O-N 2.92Å; F1000-F1005 HydrophobicContact CB-CB 4.15Å; F1000-F1005 VanDerWaalsContact O-CB 3.25Å; F1000-F1005 WeakPolarHBondContact O-CB 3.43Å; F1000-F1005 PolarHBondContact O-N 2.91Å; F1000-F1006 HydrophobicContact CB-CE2 3.93Å |
| 1001 | W | 78.8 | Confident | 74.7 | Confident | 159 Ų | 159 | 122.8 Ų | 122.8 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.6 | -42.9 | 172.6 | 179.3 | 67.3 | 0 | 0 | 0 | 112.4 | C997 F998 I999 L1003 G1004 F1006 | C997-W1001 VanDerWaalsContact O-CB 3.28Å; C997-W1001 WeakPolarHBondContact O-CB 3.41Å; C997-W1001 PolarHBondContact O-N 3.02Å; F998-W1001 AromaticContact CD2-CE3 3.98Å; F998-W1001 HydrophobicContact CD2-CE3 3.98Å; F998-W1001 HydrophobicContact CD2-CZ3 4.27Å; F998-W1001 AromaticContact CE2-CE3 3.96Å; F998-W1001 HydrophobicContact CE2-CE3 3.96Å; F998-W1001 AromaticContact CE2-CZ3 3.83Å; F998-W1001 HydrophobicContact CE2-CZ3 3.83Å; F998-W1001 PolarHBondContact O-N 3.48Å; I999-W1001 VanDerWaalsContact C-N 3.3Å; I999-W1001 PolarHBondContact O-N 2.78Å; W1001-L1003 VanDerWaalsContact C-N 3.33Å; W1001-G1004 PolarHBondContact O-N 3.22Å; W1001-G1004 VanDerWaalsContact O-N 3.11Å; W1001-F1006 HydrophobicContact CB-CD2 4.32Å |
| 1002 | K | 78.8 | Confident | 72.5 | Confident | 153 Ų | 153 | 123 Ų | 123 | 67% | 0.665 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -33 | 175.4 | -93.1 | -73.1 | -175.7 | 177.5 | 0 | 113.2 | F998 I999 G1004 | F998-K1002 HydrophobicContact CD1-CG 4.48Å; F998-K1002 HydrophobicContact CE1-CG 3.96Å; F998-K1002 HydrophobicContact CZ-CG 4.03Å; F998-K1002 WeakPolarHBondContact O-CB 3.44Å; F998-K1002 PolarHBondContact O-N 3.41Å; I999-K1002 PolarHBondContact O-N 3.01Å; I999-K1002 VanDerWaalsContact O-N 3.17Å; K1002-G1004 PolarHBondContact O-N 3.43Å |
| 1003 | L | 77.3 | Confident | 70.4 | Confident | 135 Ų | 135 | 124.9 Ų | 124.9 | 71% | 0.707 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 3.5 | 173.4 | -68.2 | 171.6 | 0 | 0 | 0 | 113.1 | I999 F1000 W1001 F1005 | I999-L1003 HydrophobicContact CG2-CD1 3.65Å; I999-L1003 HydrophobicContact CG2-CG 4.33Å; I999-L1003 WeakPolarHBondContact O-CB 3.44Å; I999-L1003 VanDerWaalsContact O-CG 3.3Å; I999-L1003 WeakPolarHBondContact O-CG 3.39Å; I999-L1003 PolarHBondContact O-N 2.65Å; F1000-L1003 PolarHBondContact O-N 2.7Å; W1001-L1003 VanDerWaalsContact C-N 3.33Å; L1003-F1005 VanDerWaalsContact C-N 3.31Å; L1003-F1005 PolarHBondContact O-N 3.4Å |
| 1004 | G | 70.8 | Confident | 68 | Low | 34 Ų | 34 | 127.2 Ų | 127.2 | 35% | 0.351 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.7 | 8.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1000 W1001 K1002 F1006 R1007 | F1000-G1004 PolarHBondContact O-N 2.92Å; W1001-G1004 PolarHBondContact O-N 3.22Å; W1001-G1004 VanDerWaalsContact O-N 3.11Å; K1002-G1004 PolarHBondContact O-N 3.43Å; G1004-F1006 PolarHBondContact O-N 3.35Å; G1004-F1006 VanDerWaalsContact O-N 3.11Å; G1004-R1007 PolarHBondContact O-N 3.35Å; G1004-R1007 VanDerWaalsContact O-N 3.1Å |
| 1005 | F | 70.6 | Confident | 65.7 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 58% | 0.575 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -31 | -175.8 | -174.5 | -98.4 | 0 | 0 | 0 | 113.7 | F1000 L1003 | F1000-F1005 HydrophobicContact CB-CB 4.15Å; F1000-F1005 VanDerWaalsContact O-CB 3.25Å; F1000-F1005 WeakPolarHBondContact O-CB 3.43Å; F1000-F1005 PolarHBondContact O-N 2.91Å; L1003-F1005 VanDerWaalsContact C-N 3.31Å; L1003-F1005 PolarHBondContact O-N 3.4Å |
| 1006 | F | 68.4 | Low | 63.3 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 55% | 0.548 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | 4.4 | -177.7 | -62.9 | -73.7 | 0 | 0 | 0 | 115 | F1000 W1001 G1004 R1008 | F1000-F1006 HydrophobicContact CB-CE2 3.93Å; W1001-F1006 HydrophobicContact CB-CD2 4.32Å; G1004-F1006 PolarHBondContact O-N 3.35Å; G1004-F1006 VanDerWaalsContact O-N 3.11Å; F1006-R1008 PolarHBondContact O-N 3.09Å |
| 1007 | R | 57.9 | Low | 61 | Low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | trans | -90.3 | 82 | 173.6 | -72.4 | -171.4 | 178.7 | -175.1 | -0 | 110.4 | G1004 | G1004-R1007 PolarHBondContact O-N 3.35Å; G1004-R1007 VanDerWaalsContact O-N 3.1Å | ||
| 1008 | R | 57.2 | Low | 58.8 | Low | 221 Ų | 221 | 142 Ų | 142 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 120.1 | 166.2 | -68.6 | -173 | -179.3 | -174.9 | -0.5 | 110.3 | F1006 | F1006-R1008 PolarHBondContact O-N 3.09Š|
| 1009 | T | 47.7 | Very low | 56.4 | Low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66 | 123.2 | 160.6 | 32.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1010 | R | 49.1 | Very low | 53.8 | Low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 135.1 | 177 | -75.1 | -178.7 | 178.2 | 178.9 | -2.3 | 110 | ||
| 1011 | P | 42.1 | Very low | 51.4 | Low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150 | 160.6 | -7.4 | 23.6 | 0 | 0 | 0 | 110.2 | ||
| 1012 | P | 44.5 | Very low | 49.3 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.9 | 175.2 | 28.7 | -32 | 0 | 0 | 0 | 111.2 | ||
| 1013 | T | 46.5 | Very low | 47.3 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 121.8 | 171.2 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1014 | D | 39.8 | Very low | 45.2 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -106.5 | 106.8 | 163.5 | -69.6 | -28.9 | 0 | 0 | 0 | 107.7 | ||||
| 1015 | D | 40.2 | Very low | 43.4 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -118.9 | 104.9 | 147.8 | -83.3 | -35 | 0 | 0 | 0 | 104.1 | ||||
| 1016 | D | 39.3 | Very low | 41.6 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 177.8 | 143.5 | 139.3 | -85.9 | -25.3 | 0 | 0 | 0 | 110.5 | ||||
| 1017 | D | 37.5 | Very low | 40 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 86.8 | 106.1 | 165.8 | -81.3 | -15.7 | 0 | 0 | 0 | 121.4 | ||||
| 1018 | D | 38.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 0.9 | 131.8 | 133.8 | -79.3 | -34.5 | 0 | 0 | 0 | 118.4 | ||||
| 1019 | G | 32.8 | Very low | 37.6 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 109.4 | 103.1 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1020 | G | 31.4 | Very low | 37 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | 81.4 | 146.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1021 | G | 31.6 | Very low | 36.2 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 108.5 | 98.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1022 | E | 34 | Very low | 35.9 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | 30.2 | 135 | 126.7 | -73.7 | 174.9 | 163.5 | 0 | 0 | 122.6 | |||||
| 1023 | D | 35.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 84 | 131.6 | 134.8 | -98.5 | -5.9 | 0 | 0 | 0 | 124.1 | ||||
| 1024 | D | 34.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 70.6 | 134.1 | 139.2 | -75.2 | -23 | 0 | 0 | 0 | 123 | ||||
| 1025 | G | 32.1 | Very low | 34.5 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 136.5 | 95.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1026 | E | 34.1 | Very low | 34.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 22.9 | 149 | 120.9 | -74.5 | -169.7 | 136.7 | 0 | 0 | 119.3 | |||||
| 1027 | Q | 33.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | cis | -179.1 | 155 | -0.5 | -117.4 | 174.2 | 15.4 | 0 | 0 | 105.4 | ||||
| 1028 | Q | 32.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | trans | 74.7 | 132.4 | 135.7 | -79.5 | 178.8 | 2.1 | 0 | 0 | 124.3 | ||||
| 1029 | L | 33.4 | Very low | 34 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 71.6 | 144 | 130.3 | -68.2 | 162.5 | 0 | 0 | 0 | 116.9 | ||||
| 1030 | A | 33.8 | Very low | 34.1 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 53% | 0.529 | 77% | 0.769 | S | S | . | * | cis | -171.8 | 165.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1031 | E | 33.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 61.6 | 143.3 | 139.5 | -83.5 | 171.8 | 179 | 0 | 0 | 118.9 | ||||
| 1032 | E | 35.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -175.1 | 164.2 | -6.6 | -142.5 | -178.6 | -176.4 | 0 | 0 | 105.6 | ||||
| 1033 | S | 34.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | 87.6 | 114.4 | 146.3 | 79.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1034 | H | 34.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | 65.4 | 119.5 | 126.1 | -79.1 | -65.7 | 0 | 0 | 0 | 121.4 | |||||
| 1035 | M | 33.2 | Very low | 34.4 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | 145.8 | 122.6 | 94.4 | -122.9 | -175.5 | -41.2 | 0 | 0 | 111.8 | |||||
| 1036 | T | 39.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 45.3 | 113.8 | 139.2 | 52.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1037 | E | 36.8 | Very low | 34.6 | Very low | 273 Ų | 273 | 148.3 Ų | 148.3 | 100% | 1.276 | 76% | 0.761 | S | S | * | * | -151.2 | 0 | 96.9 | -112.5 | -176.7 | 172.4 | 0 | 0 | 110.5 |
Retrieved 1,037 of 1,037 residues in 495.6 ms
(Link to these results)