| 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 | 51.1 | Low | 52.2 | Low | 226 Ų | 226 | 141.1 Ų | 141.1 | 100% | 1.113 | 71% | 0.705 | S | S | * | * | 0 | 7.9 | 0 | -125.5 | 150 | 79.1 | 0 | 0 | 115.1 | |||||
| 2 | S | 52.1 | Low | 52.8 | Low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | -103 | -29.3 | -174.5 | -177.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | T | 48.3 | Very low | 53.6 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.3 | -23.6 | -176.9 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 4 | F | 45.1 | Very low | 54.1 | Low | 159 Ų | 159 | 131.3 Ų | 131.3 | 70% | 0.697 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.2 | -33.3 | -179.6 | -124.5 | -93.7 | 0 | 0 | 0 | 113 | R8 | F4-R8 PolarHBondContact O-N 3.23Å |
| 5 | L | 49 | Very low | 54.6 | Low | 132 Ų | 132 | 129.7 Ų | 129.7 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.4 | -37.1 | 173.2 | -108.4 | 76.7 | 0 | 0 | 0 | 111.5 | K7 R8 C9 | L5-K7 PolarHBondContact O-N 3.19Å; L5-R8 PolarHBondContact O-N 3.29Å; L5-C9 WeakPolarHBondContact O-CB 3.3Å; L5-C9 PolarHBondContact O-N 2.95Å |
| 6 | R | 51 | Low | 55 | Low | 196 Ų | 196 | 127.8 Ų | 127.8 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.5 | -40.4 | -178.8 | -164.3 | 172.7 | 178.2 | -175.9 | -1.3 | 112.5 | L10 | R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CD1 3.4Å; R6-L10 PolarHBondContact O-N 3.34Å |
| 7 | K | 51.5 | Low | 55.2 | Low | 162 Ų | 162 | 129.1 Ų | 129.1 | 70% | 0.704 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.7 | -36.4 | 177.4 | -78.4 | -175.7 | 175.6 | -176.7 | 0 | 113.5 | L5 C11 | L5-K7 PolarHBondContact O-N 3.19Å; K7-C11 PolarHBondContact O-N 2.97Å; K7-C11 PolarHBondContact O-SG 3.32Å |
| 8 | R | 53.9 | Low | 55.1 | Low | 186 Ų | 186 | 128.5 Ų | 128.5 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.6 | -37.2 | 174.9 | -89.6 | -179.1 | 161.1 | 178.7 | -5.3 | 112.5 | F4 L5 C11 L12 | F4-R8 PolarHBondContact O-N 3.23Å; L5-R8 PolarHBondContact O-N 3.29Å; R8-C11 PolarHBondContact O-N 3.46Å; R8-L12 PolarHBondContact O-N 2.85Å; R8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | C | 56.4 | Low | 55.1 | Low | 92 Ų | 92 | 127.6 Ų | 127.6 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68 | -38 | 177.9 | -143.2 | 0 | 0 | 0 | 0 | 112.3 | L5 G13 | L5-C9 WeakPolarHBondContact O-CB 3.3Å; L5-C9 PolarHBondContact O-N 2.95Å; C9-G13 PolarHBondContact O-N 3.25Å |
| 10 | L | 57.6 | Low | 54.9 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 56% | 0.56 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.7 | -36.6 | 174.8 | -86.6 | 150.8 | 0 | 0 | 0 | 113 | R6 F14 | R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CD1 3.4Å; R6-L10 PolarHBondContact O-N 3.34Å; L10-F14 PolarHBondContact O-N 3.11Å |
| 11 | C | 58.6 | Low | 54.5 | Low | 79 Ų | 79 | 128.5 Ų | 128.5 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.5 | -38.3 | 177.1 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | K7 R8 G13 F14 L15 | K7-C11 PolarHBondContact O-N 2.97Å; K7-C11 PolarHBondContact O-SG 3.32Å; R8-C11 PolarHBondContact O-N 3.46Å; C11-G13 VanDerWaalsContact C-N 3.34Å; C11-F14 PolarHBondContact O-N 3.18Å; C11-L15 WeakPolarHBondContact O-CB 3.37Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.12Å |
| 12 | L | 59.7 | Low | 54.1 | Low | 105 Ų | 105 | 125.2 Ų | 125.2 | 55% | 0.55 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.8 | -38 | 172.3 | -86.2 | 156.4 | 0 | 0 | 0 | 111.6 | R8 L15 L16 | R8-L12 PolarHBondContact O-N 2.85Å; R8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.85Å |
| 13 | G | 62.1 | Low | 53.7 | Low | 36 Ų | 36 | 126.1 Ų | 126.1 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C9 C11 L16 F17 | C9-G13 PolarHBondContact O-N 3.25Å; C11-G13 VanDerWaalsContact C-N 3.34Å; G13-L16 PolarHBondContact O-N 3.24Å; G13-F17 WeakPolarHBondContact O-CB 3.23Å; G13-F17 PolarHBondContact O-N 3.04Å |
| 14 | F | 61.3 | Low | 53.6 | Low | 145 Ų | 145 | 125.6 Ų | 125.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.2 | -38.4 | 176.4 | -111.7 | -90 | 0 | 0 | 0 | 113.1 | L10 C11 F17 H18 | L10-F14 PolarHBondContact O-N 3.11Å; C11-F14 PolarHBondContact O-N 3.18Å; F14-F17 PolarHBondContact O-N 3.35Å; F14-H18 WeakPolarHBondContact O-CB 3.02Å; F14-H18 PolarHBondContact O-N 2.76Å |
| 15 | L | 61.3 | Low | 53.5 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.2 | -40.3 | 175.1 | -79.7 | 164.2 | 0 | 0 | 0 | 112 | C11 L12 H18 L19 | C11-L15 WeakPolarHBondContact O-CB 3.37Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 3.36Å; L15-H18 PolarHBondContact O-N 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.41Å |
| 16 | L | 60.8 | Low | 53.3 | Low | 98 Ų | 98 | 120.9 Ų | 120.9 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.2 | -37.1 | 173.8 | -80.3 | 161.9 | 0 | 0 | 0 | 112 | L12 G13 L19 F20 | L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.85Å; G13-L16 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-F20 WeakPolarHBondContact O-CB 3.17Å; L16-F20 PolarHBondContact O-N 3.49Å |
| 17 | F | 58.3 | Low | 53.4 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 66% | 0.662 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.9 | -33.6 | 175.6 | -139.1 | -92.7 | 0 | 0 | 0 | 112.4 | G13 F14 N21 | G13-F17 WeakPolarHBondContact O-CB 3.23Å; G13-F17 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 3.35Å; F17-N21 WeakPolarHBondContact O-CB 3.25Å; F17-N21 PolarHBondContact O-N 3.43Å; F17-N21 VanDerWaalsContact O-N 3.12Å; F17-N21 PolarHBondContact O-ND2 2.67Å; F17-N21 VanDerWaalsContact O-ND2 3.14Å |
| 18 | H | 54.2 | Low | 53.7 | Low | 118 Ų | 118 | 120.5 Ų | 120.5 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.3 | -37 | 171.6 | -99.9 | -64.6 | 0 | 0 | 0 | 112.9 | F14 L15 N21 Q22 | F14-H18 WeakPolarHBondContact O-CB 3.02Å; F14-H18 PolarHBondContact O-N 2.76Å; L15-H18 PolarHBondContact O-N 3.3Å; H18-N21 PolarHBondContact O-N 3.22Å; H18-Q22 VanDerWaalsContact O-CG 3.32Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 2.1Å |
| 19 | L | 54.2 | Low | 54 | Low | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.3 | -34.6 | 174.9 | -72.1 | 166 | 0 | 0 | 0 | 111.8 | L15 L16 Q22 | L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-Q22 PolarHBondContact O-N 2.01Å |
| 20 | F | 51 | Low | 54.5 | Low | 167 Ų | 167 | 113.5 Ų | 113.5 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.1 | -34.9 | 171.6 | -104.7 | -89.7 | 0 | 0 | 0 | 112.7 | L16 Q22 | L16-F20 WeakPolarHBondContact O-CB 3.17Å; L16-F20 PolarHBondContact O-N 3.49Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 2.96Å |
| 21 | N | 46.3 | Very low | 54.8 | Low | 106 Ų | 106 | 115 Ų | 115 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.1 | -17.9 | 175.9 | -88.8 | -49.8 | 0 | 0 | 0 | 114.2 | F17 H18 | F17-N21 WeakPolarHBondContact O-CB 3.25Å; F17-N21 PolarHBondContact O-N 3.43Å; F17-N21 VanDerWaalsContact O-N 3.12Å; F17-N21 PolarHBondContact O-ND2 2.67Å; F17-N21 VanDerWaalsContact O-ND2 3.14Å; H18-N21 PolarHBondContact O-N 3.22Å |
| 22 | Q | 44.3 | Very low | 55.1 | Low | 157 Ų | 157 | 115.1 Ų | 115.1 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -2.7 | 178.7 | -72.5 | -82 | 11.8 | 0 | 0 | 113.8 | H18 L19 F20 | H18-Q22 VanDerWaalsContact O-CG 3.32Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 2.1Å; L19-Q22 PolarHBondContact O-N 2.01Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 2.96Å |
| 23 | V | 42.5 | Very low | 55.6 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -106.8 | 36.5 | 175.6 | -165.3 | 0 | 0 | 0 | 0 | 111 | ||
| 24 | S | 46 | Very low | 55.8 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -124.6 | 67.4 | 170.9 | -69.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 25 | A | 43.9 | Very low | 55.7 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | -158.8 | 42.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | T | 43.4 | Very low | 56.1 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -87.1 | 113.9 | 147.1 | 41.2 | 0 | 0 | 0 | 0 | 104.3 | R28 | T26-R28 PolarHBondContact O-N 2.04Š|
| 27 | Q | 54.3 | Low | 56.7 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | trans | -68.2 | 70.2 | 179.4 | -138.7 | 159.9 | -9.6 | 0 | 0 | 108.1 | ||||
| 28 | R | 57.3 | Low | 57.5 | Low | 206 Ų | 206 | 113.7 Ų | 113.7 | 78% | 0.777 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 128 | 170.5 | -88.6 | 171.5 | -179.3 | 135.8 | 2.7 | 106.6 | T26 | T26-R28 PolarHBondContact O-N 2.04Š|
| 29 | C | 59.8 | Low | 58.2 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 39% | 0.392 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 127 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | C55 | C29-C55 VanDerWaalsContact CA-SG 3.55Å; C29-C55 HydrophobicContact CB-CB 3.63Å; C29-C55 WeakPolarHBondContact CB-SG 3.41Å; C29-C55 WeakPolarHBondContact SG-CA 3.33Å; C29-C55 WeakPolarHBondContact SG-CB 3.43Å; C29-C55 CovalentContact SG-SG 2.04Å; C29-C55 PolarHBondContact SG-SG 3.46Å |
| 30 | P | 67.8 | Low | 59.2 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 47% | 0.474 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 144 | 177.4 | 23.9 | -31.8 | 0 | 0 | 0 | 109.3 | S32 | P30-S32 WeakPolarHBondContact CB-O 3.19Å; P30-S32 WeakPolarHBondContact CG-O 3.33Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 62.7 | Low | 60.5 | Low | 137 Ų | 137 | 111.1 Ų | 111.1 | 96% | 0.958 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -61.7 | -17.7 | -179.7 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 32 | S | 66.6 | Low | 62.4 | Low | 83 Ų | 83 | 108.1 Ų | 108.1 | 58% | 0.58 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -124.1 | 136.2 | 169.6 | 50.1 | 0 | 0 | 0 | 0 | 109.9 | P30 | P30-S32 WeakPolarHBondContact CB-O 3.19Å; P30-S32 WeakPolarHBondContact CG-O 3.33Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.09Å |
| 33 | C | 68.9 | Low | 64.6 | Low | 67 Ų | 67 | 107.5 Ų | 107.5 | 45% | 0.453 | 64% | 0.64 | S | S | . | * | trans | -62.2 | 129.9 | 173.9 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | C57 | C33-C57 WeakPolarHBondContact CA-SG 3Å; C33-C57 HydrophobicContact CB-CB 3.66Å; C33-C57 WeakPolarHBondContact CB-SG 3.3Å; C33-C57 WeakPolarHBondContact SG-CA 3.34Å; C33-C57 WeakPolarHBondContact SG-CB 3.33Å; C33-C57 CovalentContact SG-SG 2.04Å; C33-C57 PolarHBondContact SG-SG 3.23Å | ||
| 34 | P | 66.3 | Low | 66.8 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 38% | 0.377 | 62% | 0.616 | S | S | . | * | trans | -59.8 | 145.1 | 175.8 | 22.8 | -29.8 | 0 | 0 | 0 | 109.4 | Q36 | P34-Q36 HydrophobicContact CB-CB 4.48Å; P34-Q36 HydrophobicContact CB-CG 4.37Å; P34-Q36 PolarHBondContact O-N 3.02Å | ||
| 35 | L | 59.8 | Low | 68.9 | Low | 188 Ų | 188 | 101.3 Ų | 101.3 | 98% | 0.984 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 16.6 | 175.1 | -88.9 | 140.4 | 0 | 0 | 0 | 114.5 | ||
| 36 | Q | 69.2 | Low | 70.9 | Confident | 169 Ų | 169 | 103.2 Ų | 103.2 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 2.7 | -171 | -62.3 | 176.5 | 29.9 | 0 | 0 | 113.4 | P34 | P34-Q36 HydrophobicContact CB-CB 4.48Å; P34-Q36 HydrophobicContact CB-CG 4.37Å; P34-Q36 PolarHBondContact O-N 3.02Å |
| 37 | C | 74 | Confident | 72.7 | Confident | 40 Ų | 40 | 102.7 Ų | 102.7 | 27% | 0.27 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -67.6 | 136.6 | 173.1 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | T39 C58 | C37-T39 PolarHBondContact O-N 3.36Å; C37-C58 WeakPolarHBondContact CA-SG 3.06Å; C37-C58 HydrophobicContact CB-CB 3.85Å; C37-C58 WeakPolarHBondContact CB-SG 3.35Å; C37-C58 WeakPolarHBondContact SG-CA 3.24Å; C37-C58 WeakPolarHBondContact SG-CB 3.41Å; C37-C58 CovalentContact SG-SG 2.05Å; C37-C58 PolarHBondContact SG-SG 2.02Å |
| 38 | P | 75.2 | Confident | 74.4 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 59% | 0.591 | 60% | 0.599 | S | S | * | * | trans | -55.3 | 128.6 | 172.2 | -21.2 | 31.3 | 0 | 0 | 0 | 109.9 | T40 | P38-T40 PolarHBondContact O-N 3.28Š| ||
| 39 | T | 68.8 | Low | 75.9 | Confident | 149 Ų | 149 | 92.2 Ų | 92.2 | 91% | 0.914 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.9 | -18.5 | 177.1 | 32.5 | 0 | 0 | 0 | 0 | 112.7 | C37 | C37-T39 PolarHBondContact O-N 3.36Š|
| 40 | T | 75.8 | Confident | 77.3 | Confident | 101 Ų | 101 | 92.1 Ų | 92.1 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -104.1 | 136.5 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | P38 | P38-T40 PolarHBondContact O-N 3.28Š|
| 41 | P | 77.7 | Confident | 78.4 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | trans | -63.3 | 141.7 | 176.2 | 25.3 | -32.3 | 0 | 0 | 0 | 110.5 | L59 | P41-L59 HydrophobicContact CB-CD1 4.44Š| ||
| 42 | P | 85.4 | Confident | 79.6 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 29% | 0.286 | 54% | 0.537 | S | S | . | . | trans | -66.7 | 139.1 | -178.2 | 28.9 | -35.9 | 0 | 0 | 0 | 110.9 | C44 L59 | P42-C44 PolarHBondContact O-N 2.78Å; P42-L59 HydrophobicContact CG-CB 4.36Å | ||
| 43 | T | 90.5 | Very high | 80.6 | Confident | 143 Ų | 143 | 83.5 Ų | 83.5 | 88% | 0.877 | 51% | 0.513 | S | S | * | . | trans | -84.6 | 108 | 169.5 | -53.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 44 | C | 90.1 | Very high | 80.8 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 20% | 0.203 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 160.1 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | P42 V48 C61 | P42-C44 PolarHBondContact O-N 2.78Å; C44-V48 HydrophobicContact CB-CB 4.07Å; C44-V48 HydrophobicContact CB-CG1 4.02Å; C44-V48 WeakPolarHBondContact CB-O 3.37Å; C44-C61 WeakPolarHBondContact CA-SG 3.43Å; C44-C61 HydrophobicContact CB-CB 3.93Å; C44-C61 WeakPolarHBondContact CB-SG 3.41Å; C44-C61 WeakPolarHBondContact SG-CA 3.29Å; C44-C61 WeakPolarHBondContact SG-CB 3.19Å; C44-C61 CovalentContact SG-SG 2.05Å; C44-C61 PolarHBondContact SG-SG 3.25Å |
| 45 | A | 89.6 | Confident | 81.5 | Confident | 62 Ų | 62 | 81.4 Ų | 81.4 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -60 | 156.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G47 V48 | A45-G47 PolarHBondContact O-N 2.87Å; A45-V48 HydrophobicContact CB-CB 4.43Å; A45-V48 HydrophobicContact CB-CG2 4.03Å; A45-V48 WeakPolarHBondContact O-CB 3.08Å; A45-V48 PolarHBondContact O-N 2.92Å |
| 46 | P | 86.8 | Confident | 82.5 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 90% | 0.896 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 128 | 178 | -25.6 | 34.7 | 0 | 0 | 0 | 112 | V48 | P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.48Å |
| 47 | G | 81 | Confident | 83.2 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 85% | 0.845 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -6.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A45 | A45-G47 PolarHBondContact O-N 2.87Š|
| 48 | V | 89.2 | Confident | 83.8 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 18% | 0.176 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 123.7 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | C44 A45 P46 C61 A62 Q64 | C44-V48 HydrophobicContact CB-CB 4.07Å; C44-V48 HydrophobicContact CB-CG1 4.02Å; C44-V48 WeakPolarHBondContact CB-O 3.37Å; A45-V48 HydrophobicContact CB-CB 4.43Å; A45-V48 HydrophobicContact CB-CG2 4.03Å; A45-V48 WeakPolarHBondContact O-CB 3.08Å; A45-V48 PolarHBondContact O-N 2.92Å; P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.48Å; V48-C61 HydrophobicContact CG1-CB 4.18Å; V48-A62 VanDerWaalsContact CG1-O 3.27Å; V48-A62 WeakPolarHBondContact CG1-O 3.3Å; V48-Q64 HydrophobicContact CG2-CG 3.77Å |
| 49 | R | 88.1 | Confident | 84.4 | Confident | 103 Ų | 103 | 68 Ų | 68 | 39% | 0.389 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 156.4 | 177.4 | 67.6 | 175.1 | -168.6 | 120.7 | -0.3 | 112.7 | V51 A62 D76 S78 | R49-V51 HydrophobicContact CG-CG1 4.16Å; R49-A62 HydrophobicContact CG-CB 4.24Å; R49-A62 WeakPolarHBondContact O-CB 3.2Å; R49-A62 PolarHBondContact O-N 2.91Å; R49-D76 IonicContact CZ-OD1 3.38Å; R49-D76 IonicContact NE-OD1 2.71Å; R49-D76 PolarHBondContact NE-OD1 2.95Å; R49-D76 IonicContact NE-OD2 3.93Å; R49-D76 IonicContact NH2-OD1 3.15Å; R49-D76 PolarHBondContact NH2-OD1 2.74Å; R49-D76 VanDerWaalsContact NH2-OD1 3.15Å; R49-S78 WeakPolarHBondContact CD-OG 3.1Å; R49-S78 PolarHBondContact NE-OG 3.11Å |
| 50 | S | 90.6 | Very high | 85.5 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.3 | 167 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | V60 | S50-V60 CarbonylContact C-O 3.42Å; S50-V60 WeakPolarHBondContact CA-O 3.16Å |
| 51 | V | 90.2 | Very high | 86.2 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.085 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 160.6 | 177.1 | -68 | 0 | 0 | 0 | 0 | 109.9 | R49 L59 V60 A62 P74 | R49-V51 HydrophobicContact CG-CG1 4.16Å; V51-L59 CarbonylContact O-C 3.53Å; V51-L59 WeakPolarHBondContact O-CA 3.18Å; V51-V60 HydrophobicContact CG2-CG2 4.19Å; V51-V60 PolarHBondContact N-O 3.43Å; V51-V60 PolarHBondContact O-N 3.08Å; V51-A62 HydrophobicContact CB-CB 4.4Å; V51-A62 HydrophobicContact CG1-CB 3.83Å; V51-A62 HydrophobicContact CG2-CB 3.66Å; V51-P74 HydrophobicContact CG2-CG 3.85Å |
| 52 | L | 88.5 | Confident | 87 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 45% | 0.45 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 148.5 | 169.2 | -66.1 | 171.5 | 0 | 0 | 0 | 110.1 | C58 L59 P74 | L52-C58 CarbonylContact C-O 3.59Å; L52-C58 WeakPolarHBondContact CA-O 2.94Å; L52-L59 HydrophobicContact CD2-CD2 4.01Å; L52-L59 HydrophobicContact CD2-CG 4.14Å; L52-L59 HydrophobicContact CG-CD2 4.46Å; L52-P74 VanDerWaalsContact O-CG 3.3Å; L52-P74 WeakPolarHBondContact O-CG 3.2Å |
| 53 | D | 86.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | trans | -60.7 | 170.3 | 167.8 | 65.5 | 28.3 | 0 | 0 | 0 | 112.2 | C55 S56 C57 C58 V60 | D53-C55 PolarHBondContact O-N 2.66Å; D53-C55 VanDerWaalsContact O-N 3.1Å; D53-C55 WeakPolarHBondContact OD1-CA 3.31Å; D53-C55 PolarHBondContact OD1-N 2.84Å; D53-C55 VanDerWaalsContact OD1-N 3.07Å; D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å; D53-C57 PolarHBondContact OD1-N 3.04Å; D53-C58 PolarHBondContact N-O 2.89Å; D53-C58 WeakPolarHBondContact OD2-CB 3.07Å; D53-C58 PolarHBondContact OD2-N 2.68Å; D53-V60 HydrophobicContact CB-CG2 4.49Å | ||
| 54 | G | 74.8 | Confident | 87.5 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E71 | G54-E71 WeakPolarHBondContact CA-O 3.46Å; G54-E71 PolarHBondContact N-O 3.26Å |
| 55 | C | 79.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 60 Ų | 60 | 22% | 0.223 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.4 | 171.7 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | C29 D53 C57 | C29-C55 VanDerWaalsContact CA-SG 3.55Å; C29-C55 HydrophobicContact CB-CB 3.63Å; C29-C55 WeakPolarHBondContact CB-SG 3.41Å; C29-C55 WeakPolarHBondContact SG-CA 3.33Å; C29-C55 WeakPolarHBondContact SG-CB 3.43Å; C29-C55 CovalentContact SG-SG 2.04Å; C29-C55 PolarHBondContact SG-SG 3.46Å; D53-C55 PolarHBondContact O-N 2.66Å; D53-C55 VanDerWaalsContact O-N 3.1Å; D53-C55 WeakPolarHBondContact OD1-CA 3.31Å; D53-C55 PolarHBondContact OD1-N 2.84Å; D53-C55 VanDerWaalsContact OD1-N 3.07Å; C55-C57 PolarHBondContact O-N 3.3Å; C55-C57 PolarHBondContact O-SG 3.27Å |
| 56 | S | 81.4 | Confident | 87.4 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 57.7 | 31.7 | -177.4 | -57 | 0 | 0 | 0 | 0 | 113.9 | D53 | D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å |
| 57 | C | 84.1 | Confident | 87.6 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | trans | -104.7 | -66.1 | -173.7 | -75.1 | 0 | 0 | 0 | 0 | 112.9 | C33 D53 C55 | C33-C57 WeakPolarHBondContact CA-SG 3Å; C33-C57 HydrophobicContact CB-CB 3.66Å; C33-C57 WeakPolarHBondContact CB-SG 3.3Å; C33-C57 WeakPolarHBondContact SG-CA 3.34Å; C33-C57 WeakPolarHBondContact SG-CB 3.33Å; C33-C57 CovalentContact SG-SG 2.04Å; C33-C57 PolarHBondContact SG-SG 3.23Å; D53-C57 PolarHBondContact OD1-N 3.04Å; C55-C57 PolarHBondContact O-N 3.3Å; C55-C57 PolarHBondContact O-SG 3.27Å | ||
| 58 | C | 86 | Confident | 88.1 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 14% | 0.142 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -102 | 144 | -173 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | C37 L52 D53 | C37-C58 WeakPolarHBondContact CA-SG 3.06Å; C37-C58 HydrophobicContact CB-CB 3.85Å; C37-C58 WeakPolarHBondContact CB-SG 3.35Å; C37-C58 WeakPolarHBondContact SG-CA 3.24Å; C37-C58 WeakPolarHBondContact SG-CB 3.41Å; C37-C58 CovalentContact SG-SG 2.05Å; C37-C58 PolarHBondContact SG-SG 2.02Å; L52-C58 CarbonylContact C-O 3.59Å; L52-C58 WeakPolarHBondContact CA-O 2.94Å; D53-C58 PolarHBondContact N-O 2.89Å; D53-C58 WeakPolarHBondContact OD2-CB 3.07Å; D53-C58 PolarHBondContact OD2-N 2.68Å |
| 59 | L | 88.6 | Confident | 88.2 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125 | 168.1 | -78.6 | 168.5 | 0 | 0 | 0 | 109.9 | P41 P42 V51 L52 | P41-L59 HydrophobicContact CB-CD1 4.44Å; P42-L59 HydrophobicContact CG-CB 4.36Å; V51-L59 CarbonylContact O-C 3.53Å; V51-L59 WeakPolarHBondContact O-CA 3.18Å; L52-L59 HydrophobicContact CD2-CD2 4.01Å; L52-L59 HydrophobicContact CD2-CG 4.14Å; L52-L59 HydrophobicContact CG-CD2 4.46Å |
| 60 | V | 90.4 | Very high | 88.2 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 157 | 178.6 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | S50 V51 D53 A62 P74 | S50-V60 CarbonylContact C-O 3.42Å; S50-V60 WeakPolarHBondContact CA-O 3.16Å; V51-V60 HydrophobicContact CG2-CG2 4.19Å; V51-V60 PolarHBondContact N-O 3.43Å; V51-V60 PolarHBondContact O-N 3.08Å; D53-V60 HydrophobicContact CB-CG2 4.49Å; V60-A62 PolarHBondContact O-N 3.21Å; V60-P74 HydrophobicContact CG2-CG 4.32Å |
| 61 | C | 92.3 | Very high | 87.9 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.6 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | C44 V48 R63 | C44-C61 WeakPolarHBondContact CA-SG 3.43Å; C44-C61 HydrophobicContact CB-CB 3.93Å; C44-C61 WeakPolarHBondContact CB-SG 3.41Å; C44-C61 WeakPolarHBondContact SG-CA 3.29Å; C44-C61 WeakPolarHBondContact SG-CB 3.19Å; C44-C61 CovalentContact SG-SG 2.05Å; C44-C61 PolarHBondContact SG-SG 3.25Å; V48-C61 HydrophobicContact CG1-CB 4.18Å; C61-R63 PolarHBondContact O-N 3.16Å |
| 62 | A | 93.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 131.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V48 R49 V51 V60 Q64 D76 | V48-A62 VanDerWaalsContact CG1-O 3.27Å; V48-A62 WeakPolarHBondContact CG1-O 3.3Å; R49-A62 HydrophobicContact CG-CB 4.24Å; R49-A62 WeakPolarHBondContact O-CB 3.2Å; R49-A62 PolarHBondContact O-N 2.91Å; V51-A62 HydrophobicContact CB-CB 4.4Å; V51-A62 HydrophobicContact CG1-CB 3.83Å; V51-A62 HydrophobicContact CG2-CB 3.66Å; V60-A62 PolarHBondContact O-N 3.21Å; A62-Q64 PolarHBondContact O-NE2 3.24Å; A62-D76 HydrophobicContact CB-CB 3.63Å |
| 63 | R | 93.5 | Very high | 87.7 | Confident | 70 Ų | 70 | 58 Ų | 58 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 137.8 | 178.7 | -63.9 | -68.7 | 173 | 179 | -5.6 | 111.2 | C61 E67 K73 P74 C75 D76 C96 | C61-R63 PolarHBondContact O-N 3.16Å; R63-E67 VanDerWaalsContact CA-OE2 3.25Å; R63-E67 WeakPolarHBondContact CA-OE2 3.24Å; R63-E67 HydrophobicContact CB-CB 4.3Å; R63-E67 VanDerWaalsContact CD-OE2 3.23Å; R63-E67 WeakPolarHBondContact CD-OE2 3.43Å; R63-E67 IonicContact NH1-OE2 3.98Å; R63-K73 HydrophobicContact CG-CB 4.2Å; R63-P74 PolarHBondContact N-O 2.87Å; R63-C75 CarbonylContact O-C 3.6Å; R63-C75 WeakPolarHBondContact O-CA 3.1Å; R63-D76 PolarHBondContact O-N 3.18Å; R63-C96 WeakPolarHBondContact CB-SG 2.89Å |
| 64 | Q | 92.8 | Very high | 88 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.229 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 169.9 | -175.5 | -58.7 | -57 | -55.7 | 0 | 0 | 111.5 | V48 A62 G66 E67 C96 | V48-Q64 HydrophobicContact CG2-CG 3.77Å; A62-Q64 PolarHBondContact O-NE2 3.24Å; Q64-G66 PolarHBondContact O-N 2.99Å; Q64-E67 HydrophobicContact CB-CG 4.35Å; Q64-E67 PolarHBondContact N-OE2 2.72Å; Q64-E67 VanDerWaalsContact O-CB 3.31Å; Q64-E67 WeakPolarHBondContact O-CB 3.49Å; Q64-E67 WeakPolarHBondContact O-CG 3.4Å; Q64-E67 PolarHBondContact O-N 2.91Å; Q64-C96 WeakPolarHBondContact O-CB 3Å |
| 65 | R | 90.4 | Very high | 88.8 | Confident | 191 Ų | 191 | 56.6 Ų | 56.6 | 72% | 0.721 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 128.8 | -177 | -176.4 | -177.5 | 176 | 175.9 | 1.2 | 111.2 | E67 L81 V98 | R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 PolarHBondContact O-N 3.05Å; R65-L81 HydrophobicContact CB-CD1 4.35Å; R65-L81 HydrophobicContact CB-CD2 3.86Å; R65-L81 HydrophobicContact CG-CD2 4.29Å; R65-L81 VanDerWaalsContact N-CD1 3.31Å; R65-V98 HydrophobicContact CG-CG2 4.24Å |
| 66 | G | 87.2 | Confident | 89.3 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -3.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q64 C96 | Q64-G66 PolarHBondContact O-N 2.99Å; G66-C96 PolarHBondContact N-O 3.45Å |
| 67 | E | 92.2 | Very high | 89.5 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -81.4 | 152 | 174.8 | -62.4 | -169.1 | 141.4 | 0 | 0 | 112.2 | R63 Q64 R65 C69 I95 C96 | R63-E67 VanDerWaalsContact CA-OE2 3.25Å; R63-E67 WeakPolarHBondContact CA-OE2 3.24Å; R63-E67 HydrophobicContact CB-CB 4.3Å; R63-E67 VanDerWaalsContact CD-OE2 3.23Å; R63-E67 WeakPolarHBondContact CD-OE2 3.43Å; R63-E67 IonicContact NH1-OE2 3.98Å; Q64-E67 HydrophobicContact CB-CG 4.35Å; Q64-E67 PolarHBondContact N-OE2 2.72Å; Q64-E67 VanDerWaalsContact O-CB 3.31Å; Q64-E67 WeakPolarHBondContact O-CB 3.49Å; Q64-E67 WeakPolarHBondContact O-CG 3.4Å; Q64-E67 PolarHBondContact O-N 2.91Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 PolarHBondContact O-N 3.05Å; E67-C69 PolarHBondContact O-N 2.91Å; E67-I95 WeakPolarHBondContact O-CA 3.06Å; E67-C96 PolarHBondContact O-N 3.5Å |
| 68 | S | 90.6 | Very high | 89.3 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.7 | 172.1 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | G94 | S68-G94 CarbonylContact C-O 3.37Å; S68-G94 WeakPolarHBondContact CA-O 3.25Å |
| 69 | C | 91.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 157 | 179.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | E67 K73 C75 C83 T93 G94 I95 C96 | E67-C69 PolarHBondContact O-N 2.91Å; C69-K73 WeakPolarHBondContact CA-O 2.97Å; C69-K73 WeakPolarHBondContact CB-O 3.01Å; C69-C75 WeakPolarHBondContact CB-SG 3Å; C69-C83 HydrophobicContact CB-CB 3.87Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CA 3.14Å; C69-C83 WeakPolarHBondContact SG-CB 3.34Å; C69-C83 CovalentContact SG-SG 2.02Å; C69-C83 PolarHBondContact SG-SG 2.91Å; C69-T93 CarbonylContact O-C 3.57Å; C69-T93 WeakPolarHBondContact O-CA 3.4Å; C69-G94 PolarHBondContact N-O 2.76Å; C69-G94 PolarHBondContact O-N 3.4Å; C69-G94 PolarHBondContact SG-O 2.8Å; C69-G94 VanDerWaalsContact SG-O 3.37Å; C69-I95 PolarHBondContact SG-N 2.89Å; C69-C96 VanDerWaalsContact CB-SG 3.57Å |
| 70 | S | 88.6 | Confident | 88.4 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 177.9 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 109.5 | L72 K73 Q92 | S70-L72 PolarHBondContact O-N 3.35Å; S70-K73 PolarHBondContact N-O 3.48Å; S70-K73 VanDerWaalsContact N-O 3.09Å; S70-K73 CarbonylContact O-C 3.11Å; S70-K73 PolarHBondContact O-N 2.76Å; S70-K73 VanDerWaalsContact O-O 3.09Å; S70-K73 PolarHBondContact OG-N 2.9Å; S70-Q92 WeakPolarHBondContact CB-O 3.41Å |
| 71 | E | 83.9 | Confident | 88.3 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37.1 | 175.2 | -66.4 | -170 | 164.4 | 0 | 0 | 112.4 | G54 K73 | G54-E71 WeakPolarHBondContact CA-O 3.46Å; G54-E71 PolarHBondContact N-O 3.26Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.7Å |
| 72 | L | 85.5 | Confident | 88.1 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.8 | 177.3 | -64.5 | 172.2 | 0 | 0 | 0 | 113.6 | S70 | S70-L72 PolarHBondContact O-N 3.35Š|
| 73 | K | 89.3 | Confident | 88 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 73.6 | -176.2 | -68.2 | 174.2 | 177.8 | 179.3 | 0 | 109.3 | R63 C69 S70 E71 | R63-K73 HydrophobicContact CG-CB 4.2Å; C69-K73 WeakPolarHBondContact CA-O 2.97Å; C69-K73 WeakPolarHBondContact CB-O 3.01Å; S70-K73 PolarHBondContact N-O 3.48Å; S70-K73 VanDerWaalsContact N-O 3.09Å; S70-K73 CarbonylContact O-C 3.11Å; S70-K73 PolarHBondContact O-N 2.76Å; S70-K73 VanDerWaalsContact O-O 3.09Å; S70-K73 PolarHBondContact OG-N 2.9Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.7Å |
| 74 | P | 91.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | trans | -74.3 | 153.2 | -175.2 | 28.4 | -31.9 | 0 | 0 | 0 | 112.6 | V51 L52 V60 R63 | V51-P74 HydrophobicContact CG2-CG 3.85Å; L52-P74 VanDerWaalsContact O-CG 3.3Å; L52-P74 WeakPolarHBondContact O-CG 3.2Å; V60-P74 HydrophobicContact CG2-CG 4.32Å; R63-P74 PolarHBondContact N-O 2.87Å | ||
| 75 | C | 92.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 158.9 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | R63 C69 Q77 L81 C96 | R63-C75 CarbonylContact O-C 3.6Å; R63-C75 WeakPolarHBondContact O-CA 3.1Å; C69-C75 WeakPolarHBondContact CB-SG 3Å; C75-Q77 PolarHBondContact O-N 2.67Å; C75-L81 HydrophobicContact CB-CB 3.83Å; C75-C96 VanDerWaalsContact CA-SG 3.53Å; C75-C96 HydrophobicContact CB-CB 3.87Å; C75-C96 WeakPolarHBondContact CB-SG 3.41Å; C75-C96 WeakPolarHBondContact SG-CA 3.36Å; C75-C96 WeakPolarHBondContact SG-CB 3.39Å; C75-C96 CovalentContact SG-SG 2.03Å; C75-C96 PolarHBondContact SG-SG 2.78Å |
| 76 | D | 91.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | trans | -73.3 | 89.7 | 174.3 | -169.7 | 2.6 | 0 | 0 | 0 | 112.8 | R49 A62 R63 S78 S79 L81 | R49-D76 IonicContact CZ-OD1 3.38Å; R49-D76 IonicContact NE-OD1 2.71Å; R49-D76 PolarHBondContact NE-OD1 2.95Å; R49-D76 IonicContact NE-OD2 3.93Å; R49-D76 IonicContact NH2-OD1 3.15Å; R49-D76 PolarHBondContact NH2-OD1 2.74Å; R49-D76 VanDerWaalsContact NH2-OD1 3.15Å; A62-D76 HydrophobicContact CB-CB 3.63Å; R63-D76 PolarHBondContact O-N 3.18Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 PolarHBondContact O-N 3.49Å; D76-S78 PolarHBondContact OD1-N 3.47Å; D76-S78 PolarHBondContact OD1-OG 3.28Å; D76-S79 PolarHBondContact O-N 3.43Å; D76-S79 VanDerWaalsContact O-N 3.08Å; D76-S79 PolarHBondContact OD2-OG 2.86Å; D76-L81 HydrophobicContact CB-CD1 4.25Å; D76-L81 WeakPolarHBondContact O-CB 3.27Å; D76-L81 PolarHBondContact O-N 2.85Å | ||
| 77 | Q | 84.2 | Confident | 86.2 | Confident | 152 Ų | 152 | 61 Ų | 61 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -61.8 | -30.5 | 178.4 | -69 | 178.1 | -4.9 | 0 | 0 | 114.1 | C75 S79 G80 | C75-Q77 PolarHBondContact O-N 2.67Å; Q77-S79 PolarHBondContact O-N 3.3Å; Q77-G80 PolarHBondContact O-N 3.41Å |
| 78 | S | 80 | Confident | 85.3 | Confident | 86 Ų | 86 | 59 Ų | 59 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -71.2 | -19.3 | 177.9 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | R49 D76 G80 | R49-S78 WeakPolarHBondContact CD-OG 3.1Å; R49-S78 PolarHBondContact NE-OG 3.11Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 PolarHBondContact O-N 3.49Å; D76-S78 PolarHBondContact OD1-N 3.47Å; D76-S78 PolarHBondContact OD1-OG 3.28Å; S78-G80 VanDerWaalsContact C-N 3.3Å |
| 79 | S | 78.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -92.9 | 12.5 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 112 | D76 Q77 L81 | D76-S79 PolarHBondContact O-N 3.43Å; D76-S79 VanDerWaalsContact O-N 3.08Å; D76-S79 PolarHBondContact OD2-OG 2.86Å; Q77-S79 PolarHBondContact O-N 3.3Å; S79-L81 VanDerWaalsContact C-N 3.31Å; S79-L81 PolarHBondContact O-N 3.44Å |
| 80 | G | 78.6 | Confident | 83.5 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 18.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q77 S78 L99 | Q77-G80 PolarHBondContact O-N 3.41Å; S78-G80 VanDerWaalsContact C-N 3.3Å; G80-L99 PolarHBondContact O-N 3.43Å |
| 81 | L | 87.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.4 | -179.8 | -57.9 | 174.2 | 0 | 0 | 0 | 111.7 | R65 C75 D76 S79 M97 V98 | R65-L81 HydrophobicContact CB-CD1 4.35Å; R65-L81 HydrophobicContact CB-CD2 3.86Å; R65-L81 HydrophobicContact CG-CD2 4.29Å; R65-L81 VanDerWaalsContact N-CD1 3.31Å; C75-L81 HydrophobicContact CB-CB 3.83Å; D76-L81 HydrophobicContact CB-CD1 4.25Å; D76-L81 WeakPolarHBondContact O-CB 3.27Å; D76-L81 PolarHBondContact O-N 2.85Å; S79-L81 VanDerWaalsContact C-N 3.31Å; S79-L81 PolarHBondContact O-N 3.44Å; L81-M97 CarbonylContact C-O 3.51Å; L81-M97 VanDerWaalsContact CA-O 3.25Å; L81-M97 WeakPolarHBondContact CA-O 2.99Å; L81-V98 HydrophobicContact CD2-CB 4.32Å; L81-V98 HydrophobicContact CD2-CG2 3.56Å |
| 82 | Y | 88.6 | Confident | 82.3 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 155.9 | 170.1 | 80.3 | -78.3 | 0 | 0 | 0 | 110.5 | D84 C96 M97 L99 | Y82-D84 HydrophobicContact CD2-CB 4.49Å; Y82-D84 HydrophobicContact CE2-CB 3.74Å; Y82-D84 PolarHBondContact O-N 3Å; Y82-C96 WeakPolarHBondContact O-CA 3.33Å; Y82-M97 HydrophobicContact CD1-CB 4.31Å; Y82-M97 WeakPolarHBondContact CD1-O 3.49Å; Y82-M97 HydrophobicContact CE1-CB 3.77Å; Y82-M97 PolarHBondContact N-O 2.88Å; Y82-M97 PolarHBondContact O-N 2.83Å; Y82-L99 HydrophobicContact CD1-CB 4.38Å; Y82-L99 HydrophobicContact CD1-CD2 3.62Å; Y82-L99 HydrophobicContact CD1-CG 3.63Å; Y82-L99 HydrophobicContact CE1-CD2 3.93Å; Y82-L99 HydrophobicContact CE1-CG 4.26Å; Y82-L99 HydrophobicContact CG-CD2 4.11Å; Y82-L99 HydrophobicContact CG-CG 4.26Å |
| 83 | C | 90 | Very high | 82.2 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 103.8 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | C69 | C69-C83 HydrophobicContact CB-CB 3.87Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CA 3.14Å; C69-C83 WeakPolarHBondContact SG-CB 3.34Å; C69-C83 CovalentContact SG-SG 2.02Å; C69-C83 PolarHBondContact SG-SG 2.91Å |
| 84 | D | 88.6 | Confident | 82.3 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.7 | 175.9 | -174 | 6.2 | 0 | 0 | 0 | 110.5 | Y82 S86 G94 I95 M97 | Y82-D84 HydrophobicContact CD2-CB 4.49Å; Y82-D84 HydrophobicContact CE2-CB 3.74Å; Y82-D84 PolarHBondContact O-N 3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 2.94Å; D84-S86 PolarHBondContact OD1-OG 3.27Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.07Å; D84-G94 CarbonylContact O-C 3.57Å; D84-G94 WeakPolarHBondContact O-CA 3.43Å; D84-I95 PolarHBondContact N-O 2.05Å; D84-I95 PolarHBondContact O-N 3.4Å; D84-M97 HydrophobicContact CB-CB 4.18Å; D84-M97 HydrophobicContact CB-CG 3.66Å |
| 85 | R | 87.3 | Confident | 82.3 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | trans | -106.1 | 9.2 | -178.5 | -58.5 | -179.9 | -178.3 | 143.2 | -2.5 | 112.7 | A87 D88 N91 | R85-A87 PolarHBondContact O-N 2.9Å; R85-D88 PolarHBondContact O-N 3.48Å; R85-N91 VanDerWaalsContact CB-OD1 3.29Å; R85-N91 WeakPolarHBondContact CB-OD1 3.47Å; R85-N91 WeakPolarHBondContact CD-O 2.99Å; R85-N91 WeakPolarHBondContact CD-OD1 3.44Å | ||
| 86 | S | 79.3 | Confident | 82.2 | Confident | 102 Ų | 102 | 67 Ų | 67 | 71% | 0.713 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.7 | -175.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | D84 | D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 2.94Å; D84-S86 PolarHBondContact OD1-OG 3.27Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.07Å |
| 87 | A | 71.6 | Confident | 81.9 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 80% | 0.802 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -9.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | R85 | R85-A87 PolarHBondContact O-N 2.9Š|
| 88 | D | 74.2 | Confident | 81.7 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 18% | 0.176 | 40% | 0.399 | C | S | . | . | trans | -108.3 | 111.3 | -174.8 | -177.7 | 3.9 | 0 | 0 | 0 | 111.8 | R85 S90 N91 Q92 T93 | R85-D88 PolarHBondContact O-N 3.48Å; D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.04Å; D88-S90 PolarHBondContact OD1-OG 2.76Å; D88-S90 PolarHBondContact OD2-OG 3.3Å; D88-N91 PolarHBondContact O-N 2.74Å; D88-Q92 PolarHBondContact OD2-N 3.26Å; D88-T93 VanDerWaalsContact CB-O 3.23Å; D88-T93 WeakPolarHBondContact CB-O 3.44Å; D88-T93 PolarHBondContact OD2-N 3.45Å; D88-T93 PolarHBondContact OD2-OG1 2.87Å | ||
| 89 | P | 68.3 | Low | 81.2 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 89% | 0.89 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.1 | 178.4 | 25.3 | -31.6 | 0 | 0 | 0 | 113.7 | ||
| 90 | S | 74.3 | Confident | 80.5 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.9 | 175 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | D88 Q92 | D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.04Å; D88-S90 PolarHBondContact OD1-OG 2.76Å; D88-S90 PolarHBondContact OD2-OG 3.3Å; S90-Q92 WeakPolarHBondContact O-CG 3.45Å; S90-Q92 PolarHBondContact O-N 2.77Å; S90-Q92 VanDerWaalsContact O-N 3.11Å; S90-Q92 PolarHBondContact OG-N 2.06Å |
| 91 | N | 71.9 | Confident | 79.8 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 54.1 | 21.6 | -175.4 | -160.6 | 22.3 | 0 | 0 | 0 | 114.2 | R85 D88 | R85-N91 VanDerWaalsContact CB-OD1 3.29Å; R85-N91 WeakPolarHBondContact CB-OD1 3.47Å; R85-N91 WeakPolarHBondContact CD-O 2.99Å; R85-N91 WeakPolarHBondContact CD-OD1 3.44Å; D88-N91 PolarHBondContact O-N 2.74Å |
| 92 | Q | 75.8 | Confident | 79 | Confident | 119 Ų | 119 | 76.5 Ų | 76.5 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -93 | -30.8 | -178.5 | -66.3 | -172.6 | -14.4 | 0 | 0 | 112.1 | S70 D88 S90 | S70-Q92 WeakPolarHBondContact CB-O 3.41Å; D88-Q92 PolarHBondContact OD2-N 3.26Å; S90-Q92 WeakPolarHBondContact O-CG 3.45Å; S90-Q92 PolarHBondContact O-N 2.77Å; S90-Q92 VanDerWaalsContact O-N 3.11Å; S90-Q92 PolarHBondContact OG-N 2.06Å |
| 93 | T | 84.3 | Confident | 78.6 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.2 | -176.7 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | C69 D88 | C69-T93 CarbonylContact O-C 3.57Å; C69-T93 WeakPolarHBondContact O-CA 3.4Å; D88-T93 VanDerWaalsContact CB-O 3.23Å; D88-T93 WeakPolarHBondContact CB-O 3.44Å; D88-T93 PolarHBondContact OD2-N 3.45Å; D88-T93 PolarHBondContact OD2-OG1 2.87Å |
| 94 | G | 90.6 | Very high | 78.3 | Confident | 11 Ų | 11 | 75 Ų | 75 | 11% | 0.113 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -172.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S68 C69 D84 | S68-G94 CarbonylContact C-O 3.37Å; S68-G94 WeakPolarHBondContact CA-O 3.25Å; C69-G94 PolarHBondContact N-O 2.76Å; C69-G94 PolarHBondContact O-N 3.4Å; C69-G94 PolarHBondContact SG-O 2.8Å; C69-G94 VanDerWaalsContact SG-O 3.37Å; D84-G94 CarbonylContact O-C 3.57Å; D84-G94 WeakPolarHBondContact O-CA 3.43Å |
| 95 | I | 91.3 | Very high | 78.1 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.7 | 174.9 | -60.3 | 179.7 | 0 | 0 | 0 | 109 | E67 C69 D84 M97 | E67-I95 WeakPolarHBondContact O-CA 3.06Å; C69-I95 PolarHBondContact SG-N 2.89Å; D84-I95 PolarHBondContact N-O 2.05Å; D84-I95 PolarHBondContact O-N 3.4Å; I95-M97 HydrophobicContact CG2-SD 4.28Å; I95-M97 PolarHBondContact O-N 3.17Å; I95-M97 VanDerWaalsContact O-N 3.13Å |
| 96 | C | 90.6 | Very high | 78 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 108.7 | 175.5 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | R63 Q64 G66 E67 C69 C75 Y82 | R63-C96 WeakPolarHBondContact CB-SG 2.89Å; Q64-C96 WeakPolarHBondContact O-CB 3Å; G66-C96 PolarHBondContact N-O 3.45Å; E67-C96 PolarHBondContact O-N 3.5Å; C69-C96 VanDerWaalsContact CB-SG 3.57Å; C75-C96 VanDerWaalsContact CA-SG 3.53Å; C75-C96 HydrophobicContact CB-CB 3.87Å; C75-C96 WeakPolarHBondContact CB-SG 3.41Å; C75-C96 WeakPolarHBondContact SG-CA 3.36Å; C75-C96 WeakPolarHBondContact SG-CB 3.39Å; C75-C96 CovalentContact SG-SG 2.03Å; C75-C96 PolarHBondContact SG-SG 2.78Å; Y82-C96 WeakPolarHBondContact O-CA 3.33Å |
| 97 | M | 85 | Confident | 78.3 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 40% | 0.404 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 150.1 | 177.9 | -63.3 | -63.8 | -83.1 | 0 | 0 | 109.2 | L81 Y82 D84 I95 | L81-M97 CarbonylContact C-O 3.51Å; L81-M97 VanDerWaalsContact CA-O 3.25Å; L81-M97 WeakPolarHBondContact CA-O 2.99Å; Y82-M97 HydrophobicContact CD1-CB 4.31Å; Y82-M97 WeakPolarHBondContact CD1-O 3.49Å; Y82-M97 HydrophobicContact CE1-CB 3.77Å; Y82-M97 PolarHBondContact N-O 2.88Å; Y82-M97 PolarHBondContact O-N 2.83Å; D84-M97 HydrophobicContact CB-CB 4.18Å; D84-M97 HydrophobicContact CB-CG 3.66Å; I95-M97 HydrophobicContact CG2-SD 4.28Å; I95-M97 PolarHBondContact O-N 3.17Å; I95-M97 VanDerWaalsContact O-N 3.13Å |
| 98 | V | 80.1 | Confident | 78.8 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.9 | 169.1 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | R65 L81 E100 | R65-V98 HydrophobicContact CG-CG2 4.24Å; L81-V98 HydrophobicContact CD2-CB 4.32Å; L81-V98 HydrophobicContact CD2-CG2 3.56Å; V98-E100 PolarHBondContact O-N 2.91Å |
| 99 | L | 67.9 | Low | 79.4 | Confident | 114 Ų | 114 | 81.4 Ų | 81.4 | 60% | 0.597 | 47% | 0.465 | S | S | * | . | trans | -59.9 | 95.2 | 160.1 | -77.1 | 166.7 | 0 | 0 | 0 | 106.2 | G80 Y82 G101 | G80-L99 PolarHBondContact O-N 3.43Å; Y82-L99 HydrophobicContact CD1-CB 4.38Å; Y82-L99 HydrophobicContact CD1-CD2 3.62Å; Y82-L99 HydrophobicContact CD1-CG 3.63Å; Y82-L99 HydrophobicContact CE1-CD2 3.93Å; Y82-L99 HydrophobicContact CE1-CG 4.26Å; Y82-L99 HydrophobicContact CG-CD2 4.11Å; Y82-L99 HydrophobicContact CG-CG 4.26Å; L99-G101 PolarHBondContact O-N 2.87Å | ||
| 100 | E | 65.7 | Low | 80.2 | Confident | 167 Ų | 167 | 80.3 Ų | 80.3 | 78% | 0.78 | 45% | 0.451 | S | S | * | . | trans | -58.2 | 110.9 | 162.3 | -75.1 | -169.3 | 161.5 | 0 | 0 | 104.5 | V98 D102 | V98-E100 PolarHBondContact O-N 2.91Å; E100-D102 PolarHBondContact O-N 2.85Å | ||
| 101 | G | 62.4 | Low | 80.8 | Confident | 14 Ų | 14 | 79 Ų | 79 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 139.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L99 N103 S113 D129 | L99-G101 PolarHBondContact O-N 2.87Å; G101-N103 PolarHBondContact O-N 2.91Å; G101-S113 VanDerWaalsContact C-CB 3.4Å; G101-S113 VanDerWaalsContact CA-CB 3.46Å; G101-S113 WeakPolarHBondContact O-CB 3.35Å; G101-D129 WeakPolarHBondContact CA-OD1 3.04Å |
| 102 | D | 72.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 83.2 Ų | 83.2 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 136 | -177.2 | -70.6 | -33.9 | 0 | 0 | 0 | 110.4 | E100 G130 | E100-D102 PolarHBondContact O-N 2.85Å; D102-G130 WeakPolarHBondContact O-CA 3.01Å; D102-G130 PolarHBondContact O-N 3.12Å |
| 103 | N | 78.9 | Confident | 81.7 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 144.9 | 174.6 | -62.2 | -42.2 | 0 | 0 | 0 | 109 | G101 I110 Y111 R112 | G101-N103 PolarHBondContact O-N 2.91Å; N103-I110 HydrophobicContact CB-CG2 3.82Å; N103-Y111 CarbonylContact C-O 3.53Å; N103-Y111 WeakPolarHBondContact CA-O 3.44Å; N103-Y111 WeakPolarHBondContact CB-O 3.39Å; N103-R112 WeakPolarHBondContact OD1-CA 3.28Å |
| 104 | C | 84.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.4 | 175.7 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | I110 Y111 C127 Q131 I132 | C104-I110 CarbonylContact O-C 3.6Å; C104-I110 WeakPolarHBondContact O-CA 3.33Å; C104-Y111 PolarHBondContact N-O 3.15Å; C104-Y111 PolarHBondContact O-N 3.43Å; C104-C127 HydrophobicContact CB-CB 3.68Å; C104-C127 WeakPolarHBondContact CB-SG 3.04Å; C104-C127 PolarHBondContact N-SG 2.86Å; C104-C127 WeakPolarHBondContact SG-CA 3.27Å; C104-C127 WeakPolarHBondContact SG-CB 3.48Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.84Å; C104-Q131 PolarHBondContact SG-N 2.79Å; C104-Q131 PolarHBondContact SG-O 3.26Å; C104-Q131 VanDerWaalsContact SG-O 3.37Å; C104-I132 HydrophobicContact CB-CD1 3.77Å; C104-I132 HydrophobicContact CB-CG1 3.5Å; C104-I132 VanDerWaalsContact CB-CG1 3.5Å |
| 105 | V | 84.8 | Confident | 81.4 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 60% | 0.6 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.1 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | V109 I110 | V105-V109 WeakPolarHBondContact CA-O 3.33Å; V105-I110 HydrophobicContact CG2-CG1 4.32Å |
| 106 | F | 85.5 | Confident | 81.4 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.8 | 174.7 | -169.8 | -99.7 | 0 | 0 | 0 | 109.4 | G108 V109 Y111 F117 P119 I132 | F106-G108 PolarHBondContact O-N 3.09Å; F106-V109 PolarHBondContact N-O 2.03Å; F106-V109 PolarHBondContact O-N 3.07Å; F106-Y111 HydrophobicContact CB-CD2 4.02Å; F106-Y111 HydrophobicContact CB-CE2 3.77Å; F106-F117 HydrophobicContact CB-CE2 4.2Å; F106-F117 HydrophobicContact CB-CZ 3.88Å; F106-F117 AromaticContact CD1-CE2 3.5Å; F106-F117 HydrophobicContact CD1-CE2 3.5Å; F106-F117 AromaticContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD2-CZ 4.48Å; F106-F117 HydrophobicContact CE1-CE2 4.01Å; F106-F117 AromaticContact CG-CE2 3.88Å; F106-F117 HydrophobicContact CG-CE2 3.88Å; F106-F117 AromaticContact CG-CZ 3.85Å; F106-F117 HydrophobicContact CG-CZ 3.85Å; F106-P119 HydrophobicContact CD1-CB 4.44Å; F106-P119 HydrophobicContact CE1-CB 3.61Å; F106-P119 HydrophobicContact CE1-CG 4.29Å; F106-P119 HydrophobicContact CZ-CB 4.27Å; F106-I132 HydrophobicContact CB-CD1 3.57Å; F106-I132 HydrophobicContact CD2-CD1 3.85Å; F106-I132 HydrophobicContact CD2-CG2 4.5Å; F106-I132 HydrophobicContact CG-CD1 4.12Å |
| 107 | D | 85.1 | Confident | 81.5 | Confident | 155 Ų | 155 | 84.4 Ų | 84.4 | 83% | 0.829 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.3 | 180 | -158.4 | 28.5 | 0 | 0 | 0 | 113.6 | V109 | D107-V109 PolarHBondContact O-N 2.91Š|
| 108 | G | 82.6 | Confident | 82 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 74% | 0.742 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -1.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F106 | F106-G108 PolarHBondContact O-N 3.09Š|
| 109 | V | 86.8 | Confident | 82.4 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 44% | 0.436 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.6 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | V105 F106 D107 Y111 | V105-V109 WeakPolarHBondContact CA-O 3.33Å; F106-V109 PolarHBondContact N-O 2.03Å; F106-V109 PolarHBondContact O-N 3.07Å; D107-V109 PolarHBondContact O-N 2.91Å; V109-Y111 HydrophobicContact CB-CE2 3.73Å; V109-Y111 HydrophobicContact CG1-CD2 4.4Å; V109-Y111 HydrophobicContact CG1-CE1 4.26Å; V109-Y111 HydrophobicContact CG1-CE2 3.79Å; V109-Y111 WeakPolarHBondContact O-CD2 3.36Å |
| 110 | I | 84.6 | Confident | 83.4 | Confident | 115 Ų | 115 | 83 Ų | 83 | 59% | 0.59 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.5 | 178 | -56.1 | 174 | 0 | 0 | 0 | 108.9 | N103 C104 V105 | N103-I110 HydrophobicContact CB-CG2 3.82Å; C104-I110 CarbonylContact O-C 3.6Å; C104-I110 WeakPolarHBondContact O-CA 3.33Å; V105-I110 HydrophobicContact CG2-CG1 4.32Å |
| 111 | Y | 85.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 78 Ų | 78 | 14% | 0.137 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.8 | 176.3 | -64.8 | -82.9 | 0 | 0 | 0 | 110.1 | N103 C104 F106 V109 E115 F117 C127 | N103-Y111 CarbonylContact C-O 3.53Å; N103-Y111 WeakPolarHBondContact CA-O 3.44Å; N103-Y111 WeakPolarHBondContact CB-O 3.39Å; C104-Y111 PolarHBondContact N-O 3.15Å; C104-Y111 PolarHBondContact O-N 3.43Å; F106-Y111 HydrophobicContact CB-CD2 4.02Å; F106-Y111 HydrophobicContact CB-CE2 3.77Å; V109-Y111 HydrophobicContact CB-CE2 3.73Å; V109-Y111 HydrophobicContact CG1-CD2 4.4Å; V109-Y111 HydrophobicContact CG1-CE1 4.26Å; V109-Y111 HydrophobicContact CG1-CE2 3.79Å; V109-Y111 WeakPolarHBondContact O-CD2 3.36Å; Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; Y111-E115 HydrophobicContact CD1-CG 4.2Å; Y111-F117 HydrophobicContact CD1-CB 3.95Å; Y111-F117 AromaticContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CD1 3.49Å; Y111-F117 VanDerWaalsContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CE1 4.11Å; Y111-F117 AromaticContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD2-CD1 4.13Å; Y111-F117 AromaticContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CZ 4.2Å; Y111-F117 HydrophobicContact CE1-CB 3.36Å; Y111-F117 AromaticContact CE1-CD1 3.59Å; Y111-F117 HydrophobicContact CE1-CD1 3.59Å; Y111-F117 AromaticContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CE1 4.33Å; Y111-F117 AromaticContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE2-CD1 4.23Å; Y111-F117 HydrophobicContact CE2-CD2 4.17Å; Y111-F117 HydrophobicContact CE2-CE1 4.17Å; Y111-F117 HydrophobicContact CE2-CE2 4.12Å; Y111-F117 HydrophobicContact CE2-CG 4.23Å; Y111-F117 HydrophobicContact CE2-CZ 4.1Å; Y111-F117 AromaticContact CG-CD1 3.76Å; Y111-F117 HydrophobicContact CG-CD1 3.76Å; Y111-F117 AromaticContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CG 4.37Å; Y111-F117 AromaticContact CZ-CD1 3.95Å; Y111-F117 AromaticContact CZ-CD2 3.66Å; Y111-F117 AromaticContact CZ-CG 3.6Å; Y111-C127 PolarHBondContact O-SG 3.37Å |
| 112 | R | 86.1 | Confident | 85.8 | Confident | 185 Ų | 185 | 80.6 Ų | 80.6 | 70% | 0.698 | 44% | 0.441 | S | S | * | . | trans | -74.3 | 150.1 | 178.7 | -63.2 | -179.6 | -179.2 | 178.2 | -0.5 | 111.3 | N103 G114 E115 C127 | N103-R112 WeakPolarHBondContact OD1-CA 3.28Å; R112-G114 PolarHBondContact O-N 2.76Å; R112-E115 HydrophobicContact CB-CB 4.4Å; R112-E115 PolarHBondContact N-OE2 3.17Å; R112-E115 WeakPolarHBondContact O-CB 3.3Å; R112-E115 PolarHBondContact O-N 3.07Å; R112-C127 WeakPolarHBondContact O-CB 3.39Å | ||
| 113 | S | 80.5 | Confident | 86.6 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 30% | 0.301 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 126.5 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | G101 D129 | G101-S113 VanDerWaalsContact C-CB 3.4Å; G101-S113 VanDerWaalsContact CA-CB 3.46Å; G101-S113 WeakPolarHBondContact O-CB 3.35Å; S113-D129 PolarHBondContact OG-N 3.03Å; S113-D129 PolarHBondContact OG-OD1 2.93Å; S113-D129 VanDerWaalsContact OG-OD1 3.08Å |
| 114 | G | 82.5 | Confident | 87.2 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -12.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | R112 C127 | R112-G114 PolarHBondContact O-N 2.76Å; G114-C127 WeakPolarHBondContact CA-O 3.01Å; G114-C127 PolarHBondContact N-O 3.39Å |
| 115 | E | 86.8 | Confident | 87.6 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 36% | 0.36 | 43% | 0.427 | S | S | . | . | trans | -72.3 | 136.9 | -179.4 | -166.9 | 172.5 | 168.1 | 0 | 0 | 111.6 | Y111 R112 A126 C127 | Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; Y111-E115 HydrophobicContact CD1-CG 4.2Å; R112-E115 HydrophobicContact CB-CB 4.4Å; R112-E115 PolarHBondContact N-OE2 3.17Å; R112-E115 WeakPolarHBondContact O-CB 3.3Å; R112-E115 PolarHBondContact O-N 3.07Å; E115-A126 CarbonylContact O-C 3.54Å; E115-A126 VanDerWaalsContact O-CA 3.29Å; E115-A126 WeakPolarHBondContact O-CA 3.29Å; E115-C127 PolarHBondContact O-N 2.04Å | ||
| 116 | K | 91.9 | Very high | 88 | Confident | 135 Ų | 135 | 77.3 Ų | 77.3 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132 | 178.9 | -61.3 | 177.3 | -174.4 | 172.6 | 0 | 109.3 | C125 A126 | K116-C125 CarbonylContact C-O 3.52Å; K116-C125 VanDerWaalsContact CA-O 3.27Å; K116-C125 WeakPolarHBondContact CA-O 3.45Å; K116-A126 HydrophobicContact CG-CB 4.09Å |
| 117 | F | 93.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.5 | -178.9 | 65.4 | -85 | 0 | 0 | 0 | 111.1 | F106 Y111 P119 C125 I132 | F106-F117 HydrophobicContact CB-CE2 4.2Å; F106-F117 HydrophobicContact CB-CZ 3.88Å; F106-F117 AromaticContact CD1-CE2 3.5Å; F106-F117 HydrophobicContact CD1-CE2 3.5Å; F106-F117 AromaticContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD2-CZ 4.48Å; F106-F117 HydrophobicContact CE1-CE2 4.01Å; F106-F117 AromaticContact CG-CE2 3.88Å; F106-F117 HydrophobicContact CG-CE2 3.88Å; F106-F117 AromaticContact CG-CZ 3.85Å; F106-F117 HydrophobicContact CG-CZ 3.85Å; Y111-F117 HydrophobicContact CD1-CB 3.95Å; Y111-F117 AromaticContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CD1 3.49Å; Y111-F117 VanDerWaalsContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CE1 4.11Å; Y111-F117 AromaticContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD2-CD1 4.13Å; Y111-F117 AromaticContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CZ 4.2Å; Y111-F117 HydrophobicContact CE1-CB 3.36Å; Y111-F117 AromaticContact CE1-CD1 3.59Å; Y111-F117 HydrophobicContact CE1-CD1 3.59Å; Y111-F117 AromaticContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CE1 4.33Å; Y111-F117 AromaticContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE2-CD1 4.23Å; Y111-F117 HydrophobicContact CE2-CD2 4.17Å; Y111-F117 HydrophobicContact CE2-CE1 4.17Å; Y111-F117 HydrophobicContact CE2-CE2 4.12Å; Y111-F117 HydrophobicContact CE2-CG 4.23Å; Y111-F117 HydrophobicContact CE2-CZ 4.1Å; Y111-F117 AromaticContact CG-CD1 3.76Å; Y111-F117 HydrophobicContact CG-CD1 3.76Å; Y111-F117 AromaticContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CG 4.37Å; Y111-F117 AromaticContact CZ-CD1 3.95Å; Y111-F117 AromaticContact CZ-CD2 3.66Å; Y111-F117 AromaticContact CZ-CG 3.6Å; F117-P119 HydrophobicContact CD2-CB 4.38Å; F117-P119 HydrophobicContact CD2-CG 4.48Å; F117-P119 HydrophobicContact CE2-CB 4.25Å; F117-P119 HydrophobicContact CE2-CG 4.28Å; F117-C125 HydrophobicContact CD1-CB 4.11Å; F117-C125 HydrophobicContact CD2-CB 4.08Å; F117-C125 HydrophobicContact CE1-CB 3.67Å; F117-C125 HydrophobicContact CE2-CB 3.64Å; F117-C125 HydrophobicContact CG-CB 4.3Å; F117-C125 HydrophobicContact CZ-CB 3.43Å; F117-C125 VanDerWaalsContact CZ-CB 3.43Å; F117-C125 PolarHBondContact N-O 2.96Å; F117-C125 PolarHBondContact O-N 3.45Å; F117-I132 HydrophobicContact CE1-CG2 4.28Å; F117-I132 HydrophobicContact CZ-CG1 4.48Å; F117-I132 HydrophobicContact CZ-CG2 3.85Å |
| 118 | E | 93.6 | Very high | 88.1 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 93.2 | 179.2 | -63.3 | -167.1 | 151.6 | 0 | 0 | 108.3 | N120 R124 R137 | E118-N120 PolarHBondContact O-N 2.8Å; E118-R124 HydrophobicContact CG-CB 4.39Å; E118-R124 HydrophobicContact CG-CG 4.18Å; E118-R137 IonicContact OE1-CZ 2.67Å; E118-R137 IonicContact OE1-NE 3.35Å; E118-R137 IonicContact OE1-NH1 3.71Å; E118-R137 PolarHBondContact OE1-NH1 3.08Å; E118-R137 VanDerWaalsContact OE1-NH1 3.07Å; E118-R137 IonicContact OE1-NH2 3.73Å; E118-R137 IonicContact OE2-CZ 2.68Å; E118-R137 IonicContact OE2-NH1 3.92Å; E118-R137 PolarHBondContact OE2-NH1 2.92Å |
| 119 | P | 89.5 | Confident | 88 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -25.2 | -176.5 | 27.9 | -36.4 | 0 | 0 | 0 | 112.3 | F106 F117 C125 | F106-P119 HydrophobicContact CD1-CB 4.44Å; F106-P119 HydrophobicContact CE1-CB 3.61Å; F106-P119 HydrophobicContact CE1-CG 4.29Å; F106-P119 HydrophobicContact CZ-CB 4.27Å; F117-P119 HydrophobicContact CD2-CB 4.38Å; F117-P119 HydrophobicContact CD2-CG 4.48Å; F117-P119 HydrophobicContact CE2-CB 4.25Å; F117-P119 HydrophobicContact CE2-CG 4.28Å; P119-C125 VanDerWaalsContact CG-SG 3.58Å |
| 120 | N | 88.8 | Confident | 87.5 | Confident | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 176.7 | 167.8 | 59.1 | 53.6 | 0 | 0 | 0 | 108.7 | E118 Q122 Y123 | E118-N120 PolarHBondContact O-N 2.8Å; N120-Q122 PolarHBondContact O-N 3.46Å; N120-Q122 WeakPolarHBondContact OD1-CA 3.41Å; N120-Q122 VanDerWaalsContact OD1-CB 3.31Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.22Å; N120-Q122 PolarHBondContact OD1-N 3.41Å; N120-Y123 PolarHBondContact O-N 3.1Å; N120-Y123 WeakPolarHBondContact OD1-CD2 3.44Å; N120-Y123 PolarHBondContact OD1-N 3.27Å |
| 121 | C | 90.5 | Very high | 87.3 | Confident | 63 Ų | 63 | 76.8 Ų | 76.8 | 43% | 0.426 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.9 | -178.3 | 76.1 | 0 | 0 | 0 | 0 | 113.2 | R137 C161 | C121-R137 WeakPolarHBondContact O-CD 3.44Å; C121-C161 VanDerWaalsContact CA-SG 3.53Å; C121-C161 HydrophobicContact CB-CB 3.73Å; C121-C161 WeakPolarHBondContact CB-SG 3.45Å; C121-C161 PolarHBondContact O-SG 2.83Å; C121-C161 WeakPolarHBondContact SG-CA 3.43Å; C121-C161 WeakPolarHBondContact SG-CB 3.27Å; C121-C161 CovalentContact SG-SG 2.03Å; C121-C161 PolarHBondContact SG-SG 3.42Å |
| 122 | Q | 87.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.2 | -175.5 | -59.1 | -176.8 | -17.4 | 0 | 0 | 113.2 | N120 P136 R137 C161 | N120-Q122 PolarHBondContact O-N 3.46Å; N120-Q122 WeakPolarHBondContact OD1-CA 3.41Å; N120-Q122 VanDerWaalsContact OD1-CB 3.31Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.22Å; N120-Q122 PolarHBondContact OD1-N 3.41Å; Q122-P136 CarbonylContact O-C 3.53Å; Q122-R137 PolarHBondContact O-N 2.93Å; Q122-C161 PolarHBondContact N-SG 3.19Å; Q122-C161 VanDerWaalsContact N-SG 3.43Å; Q122-C161 PolarHBondContact NE2-O 3.02Å |
| 123 | Y | 88.6 | Confident | 87.5 | Confident | 95 Ų | 95 | 70.9 Ų | 70.9 | 37% | 0.373 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.2 | -175.5 | -69.8 | -83.7 | 0 | 0 | 0 | 112.1 | N120 C134 P136 | N120-Y123 PolarHBondContact O-N 3.1Å; N120-Y123 WeakPolarHBondContact OD1-CD2 3.44Å; N120-Y123 PolarHBondContact OD1-N 3.27Å; Y123-C134 HydrophobicContact CD1-CB 4.38Å; Y123-P136 HydrophobicContact CD1-CB 4.49Å; Y123-P136 HydrophobicContact CE1-CB 4.23Å |
| 124 | R | 93.3 | Very high | 88 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.1 | 168.7 | -176.7 | 175 | -175.8 | 179.8 | 6.8 | 108.8 | E118 C134 V135 R137 | E118-R124 HydrophobicContact CG-CB 4.39Å; E118-R124 HydrophobicContact CG-CG 4.18Å; R124-C134 CarbonylContact O-C 3.52Å; R124-C134 WeakPolarHBondContact O-CA 3.42Å; R124-V135 HydrophobicContact CB-CG2 4.2Å; R124-V135 PolarHBondContact N-O 2.98Å; R124-V135 WeakPolarHBondContact O-CG2 3.04Å; R124-V135 PolarHBondContact O-N 3.41Å; R124-R137 HydrophobicContact CB-CG 4.1Å |
| 125 | C | 91.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 157.2 | -175.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | K116 F117 P119 I132 G133 C134 | K116-C125 CarbonylContact C-O 3.52Å; K116-C125 VanDerWaalsContact CA-O 3.27Å; K116-C125 WeakPolarHBondContact CA-O 3.45Å; F117-C125 HydrophobicContact CD1-CB 4.11Å; F117-C125 HydrophobicContact CD2-CB 4.08Å; F117-C125 HydrophobicContact CE1-CB 3.67Å; F117-C125 HydrophobicContact CE2-CB 3.64Å; F117-C125 HydrophobicContact CG-CB 4.3Å; F117-C125 HydrophobicContact CZ-CB 3.43Å; F117-C125 VanDerWaalsContact CZ-CB 3.43Å; F117-C125 PolarHBondContact N-O 2.96Å; F117-C125 PolarHBondContact O-N 3.45Å; P119-C125 VanDerWaalsContact CG-SG 3.58Å; C125-I132 HydrophobicContact CB-CG2 4.05Å; C125-G133 CarbonylContact C-O 3.56Å; C125-G133 VanDerWaalsContact CA-O 3.25Å; C125-G133 WeakPolarHBondContact CA-O 2.96Å; C125-C134 HydrophobicContact CB-CB 4.1Å; C125-C134 WeakPolarHBondContact CB-SG 3.43Å; C125-C134 WeakPolarHBondContact SG-CB 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.79Å |
| 126 | A | 93.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 20% | 0.198 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E115 K116 I132 G133 | E115-A126 CarbonylContact O-C 3.54Å; E115-A126 VanDerWaalsContact O-CA 3.29Å; E115-A126 WeakPolarHBondContact O-CA 3.29Å; K116-A126 HydrophobicContact CG-CB 4.09Å; A126-I132 WeakPolarHBondContact O-CA 3.44Å; A126-G133 PolarHBondContact N-O 2.91Å; A126-G133 PolarHBondContact O-N 3.09Å |
| 127 | C | 87.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.6 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | C104 Y111 R112 G114 E115 | C104-C127 HydrophobicContact CB-CB 3.68Å; C104-C127 WeakPolarHBondContact CB-SG 3.04Å; C104-C127 PolarHBondContact N-SG 2.86Å; C104-C127 WeakPolarHBondContact SG-CA 3.27Å; C104-C127 WeakPolarHBondContact SG-CB 3.48Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.84Å; Y111-C127 PolarHBondContact O-SG 3.37Å; R112-C127 WeakPolarHBondContact O-CB 3.39Å; G114-C127 WeakPolarHBondContact CA-O 3.01Å; G114-C127 PolarHBondContact N-O 3.39Å; E115-C127 PolarHBondContact O-N 2.04Å |
| 128 | R | 85.3 | Confident | 88.3 | Confident | 176 Ų | 176 | 72.9 Ų | 72.9 | 66% | 0.664 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 117.8 | 169.5 | -70.6 | -170.5 | 177.3 | -157.5 | -2.4 | 108.6 | G130 Q131 | R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 2.73Å; R128-Q131 PolarHBondContact N-O 3.46Å; R128-Q131 PolarHBondContact O-N 3.04Å |
| 129 | D | 79.8 | Confident | 87.6 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.3 | 171.3 | -48.2 | -34.1 | 0 | 0 | 0 | 112.5 | G101 S113 Q131 | G101-D129 WeakPolarHBondContact CA-OD1 3.04Å; S113-D129 PolarHBondContact OG-N 3.03Å; S113-D129 PolarHBondContact OG-OD1 2.93Å; S113-D129 VanDerWaalsContact OG-OD1 3.08Å; D129-Q131 PolarHBondContact O-N 2.8Å |
| 130 | G | 78 | Confident | 87 | Confident | 38 Ų | 38 | 78.9 Ų | 78.9 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -5.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D102 R128 | D102-G130 WeakPolarHBondContact O-CA 3.01Å; D102-G130 PolarHBondContact O-N 3.12Å; R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 2.73Å |
| 131 | Q | 79.4 | Confident | 86.4 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 71% | 0.71 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.8 | -179.6 | -163.6 | 171 | 42.1 | 0 | 0 | 112.5 | C104 R128 D129 | C104-Q131 PolarHBondContact SG-N 2.79Å; C104-Q131 PolarHBondContact SG-O 3.26Å; C104-Q131 VanDerWaalsContact SG-O 3.37Å; R128-Q131 PolarHBondContact N-O 3.46Å; R128-Q131 PolarHBondContact O-N 3.04Å; D129-Q131 PolarHBondContact O-N 2.8Å |
| 132 | I | 89.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.7 | 176.9 | -65.9 | 151 | 0 | 0 | 0 | 109.2 | C104 F106 F117 C125 A126 | C104-I132 HydrophobicContact CB-CD1 3.77Å; C104-I132 HydrophobicContact CB-CG1 3.5Å; C104-I132 VanDerWaalsContact CB-CG1 3.5Å; F106-I132 HydrophobicContact CB-CD1 3.57Å; F106-I132 HydrophobicContact CD2-CD1 3.85Å; F106-I132 HydrophobicContact CD2-CG2 4.5Å; F106-I132 HydrophobicContact CG-CD1 4.12Å; F117-I132 HydrophobicContact CE1-CG2 4.28Å; F117-I132 HydrophobicContact CZ-CG1 4.48Å; F117-I132 HydrophobicContact CZ-CG2 3.85Å; C125-I132 HydrophobicContact CB-CG2 4.05Å; A126-I132 WeakPolarHBondContact O-CA 3.44Å |
| 133 | G | 87.3 | Confident | 85.1 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C125 A126 | C125-G133 CarbonylContact C-O 3.56Å; C125-G133 VanDerWaalsContact CA-O 3.25Å; C125-G133 WeakPolarHBondContact CA-O 2.96Å; A126-G133 PolarHBondContact N-O 2.91Å; A126-G133 PolarHBondContact O-N 3.09Å |
| 134 | C | 89.6 | Confident | 84.3 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.9 | 176.8 | -59 | 0 | 0 | 0 | 0 | 111.3 | Y123 R124 C125 | Y123-C134 HydrophobicContact CD1-CB 4.38Å; R124-C134 CarbonylContact O-C 3.52Å; R124-C134 WeakPolarHBondContact O-CA 3.42Å; C125-C134 HydrophobicContact CB-CB 4.1Å; C125-C134 WeakPolarHBondContact CB-SG 3.43Å; C125-C134 WeakPolarHBondContact SG-CB 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.79Å |
| 135 | V | 91.1 | Very high | 83.5 | Confident | 90 Ų | 90 | 79.2 Ų | 79.2 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.5 | 172 | -64.5 | 0 | 0 | 0 | 0 | 110 | R124 | R124-V135 HydrophobicContact CB-CG2 4.2Å; R124-V135 PolarHBondContact N-O 2.98Å; R124-V135 WeakPolarHBondContact O-CG2 3.04Å; R124-V135 PolarHBondContact O-N 3.41Å |
| 136 | P | 91.1 | Very high | 82.6 | Confident | 63 Ų | 63 | 80.4 Ų | 80.4 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 135.4 | 175.4 | 29.4 | -33.4 | 0 | 0 | 0 | 110.1 | Q122 Y123 L140 | Q122-P136 CarbonylContact O-C 3.53Å; Y123-P136 HydrophobicContact CD1-CB 4.49Å; Y123-P136 HydrophobicContact CE1-CB 4.23Å; P136-L140 HydrophobicContact CB-CD1 3.99Å; P136-L140 HydrophobicContact CB-CG 4.38Å; P136-L140 HydrophobicContact CG-CD1 3.71Å; P136-L140 HydrophobicContact CG-CG 4.45Å |
| 137 | R | 90.1 | Very high | 81.4 | Confident | 131 Ų | 131 | 82.7 Ų | 82.7 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -87.5 | -23 | 173.4 | -64.8 | -179.2 | 63.1 | -178.5 | 10.2 | 112.3 | E118 C121 Q122 R124 | E118-R137 IonicContact OE1-CZ 2.67Å; E118-R137 IonicContact OE1-NE 3.35Å; E118-R137 IonicContact OE1-NH1 3.71Å; E118-R137 PolarHBondContact OE1-NH1 3.08Å; E118-R137 VanDerWaalsContact OE1-NH1 3.07Å; E118-R137 IonicContact OE1-NH2 3.73Å; E118-R137 IonicContact OE2-CZ 2.68Å; E118-R137 IonicContact OE2-NH1 3.92Å; E118-R137 PolarHBondContact OE2-NH1 2.92Å; C121-R137 WeakPolarHBondContact O-CD 3.44Å; Q122-R137 PolarHBondContact O-N 2.93Å; R124-R137 HydrophobicContact CB-CG 4.1Å |
| 138 | C | 88.1 | Confident | 80.5 | Confident | 22 Ų | 22 | 90.1 Ų | 90.1 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -87 | 150.4 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | L140 C162 | C138-L140 PolarHBondContact O-N 2.89Å; C138-C162 WeakPolarHBondContact CA-SG 3.25Å; C138-C162 HydrophobicContact CB-CB 3.74Å; C138-C162 WeakPolarHBondContact CB-SG 3.44Å; C138-C162 WeakPolarHBondContact SG-CA 3.07Å; C138-C162 WeakPolarHBondContact SG-CB 3.1Å; C138-C162 CovalentContact SG-SG 2.04Å; C138-C162 PolarHBondContact SG-SG 2.76Å |
| 139 | Q | 79.4 | Confident | 79.9 | Confident | 157 Ų | 157 | 82.3 Ų | 82.3 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | trans | -67.8 | 119.9 | 169.8 | -81.5 | 174.5 | -3.2 | 0 | 0 | 109.7 | D141 K154 | Q139-D141 HydrophobicContact CB-CB 4.48Å; Q139-D141 PolarHBondContact O-N 3Å; Q139-D141 VanDerWaalsContact O-N 3.17Å; Q139-D141 VanDerWaalsContact O-OD1 3.06Å; Q139-K154 PolarHBondContact O-NZ 2.77Å | ||
| 140 | L | 77.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 80.5 Ų | 80.5 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | trans | -86.1 | 48.7 | 169.5 | -68.5 | 170 | 0 | 0 | 0 | 109.9 | P136 C138 | P136-L140 HydrophobicContact CB-CD1 3.99Å; P136-L140 HydrophobicContact CB-CG 4.38Å; P136-L140 HydrophobicContact CG-CD1 3.71Å; P136-L140 HydrophobicContact CG-CG 4.45Å; C138-L140 PolarHBondContact O-N 2.89Å | ||
| 141 | D | 76.7 | Confident | 79.8 | Confident | 69 Ų | 69 | 81.8 Ų | 81.8 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | trans | -71.2 | 148 | 173.7 | 63.8 | -30.9 | 0 | 0 | 0 | 110.6 | Q139 K154 W165 | Q139-D141 HydrophobicContact CB-CB 4.48Å; Q139-D141 PolarHBondContact O-N 3Å; Q139-D141 VanDerWaalsContact O-N 3.17Å; Q139-D141 VanDerWaalsContact O-OD1 3.06Å; D141-K154 PolarHBondContact O-NZ 3.28Å; D141-K154 IonicContact OD1-NZ 3.93Å; D141-K154 PolarHBondContact OD1-NZ 2.97Å; D141-W165 VanDerWaalsContact CG-NE1 3.29Å; D141-W165 WeakPolarHBondContact O-CZ2 3.49Å; D141-W165 PolarHBondContact OD1-NE1 2.84Å; D141-W165 VanDerWaalsContact OD2-CD1 3.22Å; D141-W165 PolarHBondContact OD2-NE1 2.95Å | ||
| 142 | V | 74.7 | Confident | 80 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 72% | 0.715 | 45% | 0.445 | S | S | * | . | trans | -114.4 | 112.5 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | L144 | V142-L144 HydrophobicContact CG1-CD2 4.23Š| ||
| 143 | L | 74.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 36% | 0.356 | 46% | 0.464 | S | S | . | . | trans | -89 | 116 | 172.8 | -174 | 62.3 | 0 | 0 | 0 | 109.3 | P152 W165 | L143-P152 HydrophobicContact CB-CB 4.04Å; L143-P152 HydrophobicContact CD2-CB 3.63Å; L143-P152 HydrophobicContact CG-CB 3.78Å; L143-P152 HydrophobicContact CG-CG 4.4Å; L143-P152 VanDerWaalsContact O-CG 3.24Å; L143-P152 WeakPolarHBondContact O-CG 3.31Å; L143-W165 HydrophobicContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CE2 3.48Å; L143-W165 HydrophobicContact CB-CE3 3.75Å; L143-W165 HydrophobicContact CB-CG 3.83Å; L143-W165 HydrophobicContact CB-CH2 4.14Å; L143-W165 HydrophobicContact CB-CZ2 3.87Å; L143-W165 HydrophobicContact CB-CZ3 4.09Å; L143-W165 HydrophobicContact CD2-CB 3.64Å; L143-W165 HydrophobicContact CD2-CD2 3.94Å; L143-W165 HydrophobicContact CD2-CE3 4.14Å; L143-W165 HydrophobicContact CD2-CG 3.73Å; L143-W165 HydrophobicContact CG-CD2 4.33Å; L143-W165 HydrophobicContact CG-CG 4.43Å; L143-W165 VanDerWaalsContact N-CZ2 3.26Å | ||
| 144 | L | 73.1 | Confident | 79.6 | Confident | 100 Ų | 100 | 81.9 Ų | 81.9 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | trans | -81.4 | 151.3 | 174.9 | -64.2 | 176.7 | 0 | 0 | 0 | 110.8 | V142 G146 E206 | V142-L144 HydrophobicContact CG1-CD2 4.23Å; L144-G146 PolarHBondContact O-N 2.82Å; L144-E206 HydrophobicContact CD1-CB 3.95Å; L144-E206 HydrophobicContact CD1-CG 4.48Å | ||
| 145 | P | 75.9 | Confident | 79.5 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | trans | -53.5 | 120.5 | 173.6 | -28.9 | 36.8 | 0 | 0 | 0 | 112.4 | C149 P150 P152 | P145-C149 WeakPolarHBondContact CA-O 3.25Å; P145-P150 WeakPolarHBondContact CB-O 3.42Å; P145-P152 HydrophobicContact CG-CG 4.34Å | ||
| 146 | G | 72 | Confident | 79.3 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 27% | 0.268 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -114.6 | 167.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 D148 C149 | L144-G146 PolarHBondContact O-N 2.82Å; G146-D148 PolarHBondContact O-N 2.86Å; G146-C149 PolarHBondContact N-O 2.77Å; G146-C149 CarbonylContact O-C 3.58Å; G146-C149 PolarHBondContact O-N 2.02Å; G146-C149 VanDerWaalsContact O-N 3.08Å |
| 147 | P | 68.1 | Low | 79.1 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.1 | 177.1 | 22.3 | -31.4 | 0 | 0 | 0 | 113.3 | ||
| 148 | D | 68.9 | Low | 79.1 | Confident | 155 Ų | 155 | 79.6 Ų | 79.6 | 83% | 0.829 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -4.4 | 178.2 | -55.4 | -50.5 | 0 | 0 | 0 | 113.1 | G146 | G146-D148 PolarHBondContact O-N 2.86Š|
| 149 | C | 74.1 | Confident | 79.1 | Confident | 13 Ų | 13 | 82.9 Ų | 82.9 | 9% | 0.088 | 50% | 0.497 | C | S | . | . | B | Isolated β-bridge | trans | -148.1 | 75.6 | -179.6 | -162.3 | 0 | 0 | 0 | 0 | 110.2 | P145 G146 A151 C167 | P145-C149 WeakPolarHBondContact CA-O 3.25Å; G146-C149 PolarHBondContact N-O 2.77Å; G146-C149 CarbonylContact O-C 3.58Å; G146-C149 PolarHBondContact O-N 2.02Å; G146-C149 VanDerWaalsContact O-N 3.08Å; C149-A151 VanDerWaalsContact C-N 3.31Å; C149-A151 PolarHBondContact O-N 2.8Å; C149-C167 HydrophobicContact CB-CB 4.01Å; C149-C167 WeakPolarHBondContact CB-SG 3.47Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.02Å; C149-C167 PolarHBondContact SG-SG 3.04Å |
| 150 | P | 76.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -71.5 | -26.6 | -172.7 | 27 | -34.5 | 0 | 0 | 0 | 113.1 | P145 | P145-P150 WeakPolarHBondContact CB-O 3.42Š|
| 151 | A | 78.8 | Confident | 80.1 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -130.3 | 77.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C149 R153 | C149-A151 VanDerWaalsContact C-N 3.31Å; C149-A151 PolarHBondContact O-N 2.8Å; A151-R153 PolarHBondContact O-N 3.09Å |
| 152 | P | 83.9 | Confident | 80.7 | Confident | 27 Ų | 27 | 75 Ų | 75 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.6 | 176.3 | 27.9 | -31.9 | 0 | 0 | 0 | 109.6 | L143 P145 W165 | L143-P152 HydrophobicContact CB-CB 4.04Å; L143-P152 HydrophobicContact CD2-CB 3.63Å; L143-P152 HydrophobicContact CG-CB 3.78Å; L143-P152 HydrophobicContact CG-CG 4.4Å; L143-P152 VanDerWaalsContact O-CG 3.24Å; L143-P152 WeakPolarHBondContact O-CG 3.31Å; P145-P152 HydrophobicContact CG-CG 4.34Å; P152-W165 HydrophobicContact CB-CE3 3.78Å; P152-W165 HydrophobicContact CB-CZ3 3.89Å |
| 153 | R | 84.8 | Confident | 81.3 | Confident | 174 Ų | 174 | 73.7 Ų | 73.7 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.3 | 178.1 | -177.5 | -177.4 | 172.6 | 178.8 | -0.8 | 109.8 | A151 V155 T166 | A151-R153 PolarHBondContact O-N 3.09Å; R153-V155 HydrophobicContact CG-CG1 4.14Å; R153-T166 PolarHBondContact N-O 3.4Å; R153-T166 PolarHBondContact O-N 2.96Å; R153-T166 PolarHBondContact O-OG1 3.25Å |
| 154 | K | 83.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 21% | 0.213 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127 | 165.8 | -114.9 | 175.1 | -178.5 | 160.5 | 0 | 109.1 | Q139 D141 E163 W165 | Q139-K154 PolarHBondContact O-NZ 2.77Å; D141-K154 PolarHBondContact O-NZ 3.28Å; D141-K154 IonicContact OD1-NZ 3.93Å; D141-K154 PolarHBondContact OD1-NZ 2.97Å; K154-E163 HydrophobicContact CB-CB 4.08Å; K154-E163 HydrophobicContact CD-CB 3.96Å; K154-E163 HydrophobicContact CG-CB 3.68Å; K154-W165 HydrophobicContact CB-CZ3 4.49Å; K154-W165 HydrophobicContact CD-CZ2 4.2Å; K154-W165 HydrophobicContact CG-CD2 4.16Å; K154-W165 HydrophobicContact CG-CE3 4.36Å; K154-W165 HydrophobicContact CG-CZ2 4.31Å |
| 155 | V | 87.3 | Confident | 82.4 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.3 | 177.5 | -84.8 | 0 | 0 | 0 | 0 | 109.7 | R153 V157 E163 K164 T166 | R153-V155 HydrophobicContact CG-CG1 4.14Å; V155-V157 PolarHBondContact O-N 3.29Å; V155-E163 WeakPolarHBondContact O-CA 3.33Å; V155-K164 PolarHBondContact N-O 3.34Å; V155-K164 VanDerWaalsContact N-O 3.07Å; V155-K164 PolarHBondContact O-N 2.02Å; V155-K164 VanDerWaalsContact O-N 3.09Å; V155-T166 HydrophobicContact CG2-CG2 3.3Å; V155-T166 WeakPolarHBondContact CG2-OG1 3.4Å |
| 156 | A | 87.1 | Confident | 82.8 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64 | 128 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 157 | V | 87 | Confident | 83.2 | Confident | 48 Ų | 48 | 75 Ų | 75 | 29% | 0.291 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 129.6 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | V155 G159 E160 K164 | V155-V157 PolarHBondContact O-N 3.29Å; V157-G159 PolarHBondContact O-N 2.77Å; V157-E160 HydrophobicContact CB-CB 4.08Å; V157-E160 HydrophobicContact CB-CG 4.25Å; V157-E160 HydrophobicContact CG1-CB 4.41Å; V157-E160 HydrophobicContact CG1-CG 4.06Å; V157-E160 PolarHBondContact O-N 3.14Å; V157-E160 VanDerWaalsContact O-N 3.11Å; V157-K164 HydrophobicContact CG2-CB 3.95Å; V157-K164 HydrophobicContact CG2-CD 4.22Å; V157-K164 HydrophobicContact CG2-CG 4.17Å |
| 158 | P | 89.4 | Confident | 83.3 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 83% | 0.831 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128.6 | 178.7 | -25.6 | 34.2 | 0 | 0 | 0 | 111.9 | E160 | P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 3.01Å |
| 159 | G | 87.8 | Confident | 82.6 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 93% | 0.928 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -2.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V157 | V157-G159 PolarHBondContact O-N 2.77Š|
| 160 | E | 89.8 | Confident | 81.6 | Confident | 99 Ų | 99 | 78.3 Ų | 78.3 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | trans | -111.1 | 140.4 | 177.2 | -69.1 | -85.4 | -157.4 | 0 | 0 | 110 | V157 P158 K164 | V157-E160 HydrophobicContact CB-CB 4.08Å; V157-E160 HydrophobicContact CB-CG 4.25Å; V157-E160 HydrophobicContact CG1-CB 4.41Å; V157-E160 HydrophobicContact CG1-CG 4.06Å; V157-E160 PolarHBondContact O-N 3.14Å; V157-E160 VanDerWaalsContact O-N 3.11Å; P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 3.01Å; E160-K164 IonicContact OE1-NZ 2.76Å; E160-K164 PolarHBondContact OE1-NZ 2.88Å | ||
| 161 | C | 88.8 | Confident | 80 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 28% | 0.277 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -72.9 | -41.1 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | C121 Q122 | C121-C161 VanDerWaalsContact CA-SG 3.53Å; C121-C161 HydrophobicContact CB-CB 3.73Å; C121-C161 WeakPolarHBondContact CB-SG 3.45Å; C121-C161 PolarHBondContact O-SG 2.83Å; C121-C161 WeakPolarHBondContact SG-CA 3.43Å; C121-C161 WeakPolarHBondContact SG-CB 3.27Å; C121-C161 CovalentContact SG-SG 2.03Å; C121-C161 PolarHBondContact SG-SG 3.42Å; Q122-C161 PolarHBondContact N-SG 3.19Å; Q122-C161 VanDerWaalsContact N-SG 3.43Å; Q122-C161 PolarHBondContact NE2-O 3.02Å |
| 162 | C | 88.3 | Confident | 78.3 | Confident | 40 Ų | 40 | 88.2 Ų | 88.2 | 27% | 0.27 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -94.9 | 137.6 | -172.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | C138 | C138-C162 WeakPolarHBondContact CA-SG 3.25Å; C138-C162 HydrophobicContact CB-CB 3.74Å; C138-C162 WeakPolarHBondContact CB-SG 3.44Å; C138-C162 WeakPolarHBondContact SG-CA 3.07Å; C138-C162 WeakPolarHBondContact SG-CB 3.1Å; C138-C162 CovalentContact SG-SG 2.04Å; C138-C162 PolarHBondContact SG-SG 2.76Å |
| 163 | E | 88.3 | Confident | 75.9 | Confident | 90 Ų | 90 | 90.5 Ų | 90.5 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | trans | -64.6 | 139.2 | 172.9 | -56.6 | 177.7 | 143 | 0 | 0 | 110 | K154 V155 | K154-E163 HydrophobicContact CB-CB 4.08Å; K154-E163 HydrophobicContact CD-CB 3.96Å; K154-E163 HydrophobicContact CG-CB 3.68Å; V155-E163 WeakPolarHBondContact O-CA 3.33Å | ||
| 164 | K | 86 | Confident | 74 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 42% | 0.422 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.8 | 176.4 | -65.9 | -175.9 | -175.3 | 171.3 | 0 | 109.9 | V155 V157 E160 T166 | V155-K164 PolarHBondContact N-O 3.34Å; V155-K164 VanDerWaalsContact N-O 3.07Å; V155-K164 PolarHBondContact O-N 2.02Å; V155-K164 VanDerWaalsContact O-N 3.09Å; V157-K164 HydrophobicContact CG2-CB 3.95Å; V157-K164 HydrophobicContact CG2-CD 4.22Å; V157-K164 HydrophobicContact CG2-CG 4.17Å; E160-K164 IonicContact OE1-NZ 2.76Å; E160-K164 PolarHBondContact OE1-NZ 2.88Å; K164-T166 PolarHBondContact O-N 3.08Å |
| 165 | W | 85.1 | Confident | 71.8 | Confident | 74 Ų | 74 | 94.6 Ų | 94.6 | 28% | 0.28 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.4 | 172 | -70 | 106.3 | 0 | 0 | 0 | 110.1 | D141 L143 P152 K154 | D141-W165 VanDerWaalsContact CG-NE1 3.29Å; D141-W165 WeakPolarHBondContact O-CZ2 3.49Å; D141-W165 PolarHBondContact OD1-NE1 2.84Å; D141-W165 VanDerWaalsContact OD2-CD1 3.22Å; D141-W165 PolarHBondContact OD2-NE1 2.95Å; L143-W165 HydrophobicContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CE2 3.48Å; L143-W165 HydrophobicContact CB-CE3 3.75Å; L143-W165 HydrophobicContact CB-CG 3.83Å; L143-W165 HydrophobicContact CB-CH2 4.14Å; L143-W165 HydrophobicContact CB-CZ2 3.87Å; L143-W165 HydrophobicContact CB-CZ3 4.09Å; L143-W165 HydrophobicContact CD2-CB 3.64Å; L143-W165 HydrophobicContact CD2-CD2 3.94Å; L143-W165 HydrophobicContact CD2-CE3 4.14Å; L143-W165 HydrophobicContact CD2-CG 3.73Å; L143-W165 HydrophobicContact CG-CD2 4.33Å; L143-W165 HydrophobicContact CG-CG 4.43Å; L143-W165 VanDerWaalsContact N-CZ2 3.26Å; P152-W165 HydrophobicContact CB-CE3 3.78Å; P152-W165 HydrophobicContact CB-CZ3 3.89Å; K154-W165 HydrophobicContact CB-CZ3 4.49Å; K154-W165 HydrophobicContact CD-CZ2 4.2Å; K154-W165 HydrophobicContact CG-CD2 4.16Å; K154-W165 HydrophobicContact CG-CE3 4.36Å; K154-W165 HydrophobicContact CG-CZ2 4.31Å |
| 166 | T | 83.3 | Confident | 69.1 | Low | 56 Ų | 56 | 96.2 Ų | 96.2 | 34% | 0.344 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.1 | 166.8 | 62.5 | 0 | 0 | 0 | 0 | 108.8 | R153 V155 K164 | R153-T166 PolarHBondContact N-O 3.4Å; R153-T166 PolarHBondContact O-N 2.96Å; R153-T166 PolarHBondContact O-OG1 3.25Å; V155-T166 HydrophobicContact CG2-CG2 3.3Å; V155-T166 WeakPolarHBondContact CG2-OG1 3.4Å; K164-T166 PolarHBondContact O-N 3.08Å |
| 167 | C | 80.7 | Confident | 67.1 | Low | 64 Ų | 64 | 96 Ų | 96 | 43% | 0.432 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 122.3 | 170.8 | -48.6 | 0 | 0 | 0 | 0 | 105.7 | C149 | C149-C167 HydrophobicContact CB-CB 4.01Å; C149-C167 WeakPolarHBondContact CB-SG 3.47Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.02Å; C149-C167 PolarHBondContact SG-SG 3.04Å |
| 168 | G | 70.1 | Confident | 64.7 | Low | 42 Ų | 42 | 102.1 Ų | 102.1 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -56 | 152.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N170 | G168-N170 PolarHBondContact O-N 3.12Š|
| 169 | P | 54.4 | Low | 62.4 | Low | 128 Ų | 128 | 100.8 Ų | 100.8 | 83% | 0.831 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129.6 | 178.2 | 23.7 | -30 | 0 | 0 | 0 | 110 | E171 | P169-E171 PolarHBondContact O-N 2.88Š|
| 170 | N | 52.2 | Low | 60.1 | Low | 142 Ų | 142 | 104.4 Ų | 104.4 | 76% | 0.759 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.1 | 164.3 | -92.5 | -24.3 | 0 | 0 | 0 | 108 | G168 Q172 | G168-N170 PolarHBondContact O-N 3.12Å; N170-Q172 PolarHBondContact O-N 3.07Å |
| 171 | E | 43 | Very low | 57.7 | Low | 180 Ų | 180 | 105.2 Ų | 105.2 | 84% | 0.841 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -66.6 | 106.8 | 161.6 | -68.9 | -159.6 | 159.8 | 0 | 0 | 108.7 | P169 | P169-E171 PolarHBondContact O-N 2.88Š|
| 172 | Q | 43 | Very low | 55.4 | Low | 164 Ų | 164 | 108 Ų | 108 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | trans | 54.7 | 119.5 | 162.5 | -79.4 | 79.8 | 8.5 | 0 | 0 | 120 | N170 | N170-Q172 PolarHBondContact O-N 3.07Š| ||
| 173 | G | 33.7 | Very low | 53.1 | Low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -178.5 | 58.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L175 | G173-L175 PolarHBondContact O-N 2.71Š| ||
| 174 | T | 44.4 | Very low | 50.7 | Low | 134 Ų | 134 | 122 Ų | 122 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -36.9 | 126.5 | 168.1 | -27.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 175 | L | 38.2 | Very low | 48.4 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | 171 | 119.1 | 140.9 | -94.3 | 156.1 | 0 | 0 | 0 | 112 | G173 | G173-L175 PolarHBondContact O-N 2.71Š| ||
| 176 | G | 30.6 | Very low | 46 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 95.5 | 94.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 177 | G | 45.7 | Very low | 44 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -59.5 | 138.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 178 | L | 35.8 | Very low | 42.2 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -141.6 | 133.3 | 154 | -71.1 | 178.2 | 0 | 0 | 0 | 107.3 | ||||
| 179 | A | 40.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 180 | L | 39.5 | Very low | 40.4 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.7 | 168 | -70.3 | 160.7 | 0 | 0 | 0 | 109.4 | ||
| 181 | P | 40.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 134.8 | 154.5 | 29.5 | -27 | 0 | 0 | 0 | 108.2 | Y183 | P181-Y183 PolarHBondContact O-N 2.93Š|
| 182 | A | 39.4 | Very low | 39.5 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 121.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R184 | A182-R184 PolarHBondContact O-N 3.23Š|
| 183 | Y | 41.5 | Very low | 39.8 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -65.5 | 112.9 | 173.2 | -173.9 | -100.7 | 0 | 0 | 0 | 109.1 | P181 | P181-Y183 PolarHBondContact O-N 2.93Š| ||
| 184 | R | 36.9 | Very low | 40.2 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -87.5 | 122.5 | 168.6 | -153.2 | 179.5 | -177.4 | 95 | -0.4 | 106.1 | A182 E186 | A182-R184 PolarHBondContact O-N 3.23Å; R184-E186 PolarHBondContact O-N 2.84Å | ||
| 185 | P | 39.1 | Very low | 40.3 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 100.8 | 171.6 | -9.1 | 24 | 0 | 0 | 0 | 107.2 | A187 | P185-A187 PolarHBondContact O-N 2.78Š| ||
| 186 | E | 34.6 | Very low | 40.7 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -68.7 | 121.6 | 164.7 | -81.8 | 177.7 | 145.8 | 0 | 0 | 107.6 | R184 T188 | R184-E186 PolarHBondContact O-N 2.84Å; E186-T188 PolarHBondContact O-N 2.04Å | ||
| 187 | A | 41.2 | Very low | 41.5 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -49.2 | 123.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P185 V189 | P185-A187 PolarHBondContact O-N 2.78Å; A187-V189 PolarHBondContact O-N 2.82Å | ||
| 188 | T | 41.1 | Very low | 41.6 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 109.1 | 164.9 | 40.5 | 0 | 0 | 0 | 0 | 107.8 | E186 G190 | E186-T188 PolarHBondContact O-N 2.04Å; T188-G190 PolarHBondContact O-N 2.9Å; T188-G190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | V | 43.1 | Very low | 42.9 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -50.1 | 115.5 | 168 | 173.2 | 0 | 0 | 0 | 0 | 107.4 | A187 V191 | A187-V189 PolarHBondContact O-N 2.82Å; V189-V191 PolarHBondContact O-N 2.81Å; V189-V191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | G | 45.1 | Very low | 44.2 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | -57.6 | 115.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | T188 E192 | T188-G190 PolarHBondContact O-N 2.9Å; T188-G190 VanDerWaalsContact O-N 3.11Å; G190-E192 PolarHBondContact O-N 2.88Å | ||
| 191 | V | 40.9 | Very low | 46.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -81.8 | 109.2 | 168.6 | 177.5 | 0 | 0 | 0 | 0 | 105.9 | V189 V193 | V189-V191 PolarHBondContact O-N 2.81Å; V189-V191 VanDerWaalsContact O-N 3.12Å; V191-V193 PolarHBondContact O-N 2.86Å | ||
| 192 | E | 35.1 | Very low | 48.1 | Very low | 177 Ų | 177 | 129.6 Ų | 129.6 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -48.5 | 125.6 | 175.6 | -67.9 | -177.2 | 147.9 | 0 | 0 | 110.6 | G190 S194 | G190-E192 PolarHBondContact O-N 2.88Å; E192-S194 PolarHBondContact O-N 3.22Å | ||
| 193 | V | 50 | Low | 50.1 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 92% | 0.915 | 73% | 0.725 | S | S | * | * | trans | -71.9 | 108.8 | 170 | 176.9 | 0 | 0 | 0 | 0 | 107.6 | V191 | V191-V193 PolarHBondContact O-N 2.86Š| ||
| 194 | S | 41.9 | Very low | 52.2 | Low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -155.2 | 139.5 | 154.8 | 77.9 | 0 | 0 | 0 | 0 | 106.2 | E192 | E192-S194 PolarHBondContact O-N 3.22Š| ||
| 195 | D | 45.4 | Very low | 54.6 | Low | 153 Ų | 153 | 115.7 Ų | 115.7 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | cis | -166.6 | 161 | -6.4 | -170.7 | 1.5 | 0 | 0 | 0 | 103 | ||||
| 196 | S | 46.8 | Very low | 56.9 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | 88.9 | 85.2 | 174.1 | 74 | 0 | 0 | 0 | 0 | 119.3 | V198 | S196-V198 PolarHBondContact O-N 2.77Š| ||
| 197 | S | 47.5 | Very low | 59.4 | Low | 121 Ų | 121 | 111 Ų | 111 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | 58.7 | 37.1 | 122.7 | 74.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 198 | V | 47.6 | Very low | 61.6 | Low | 81 Ų | 81 | 109 Ų | 109 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | trans | -133.5 | 109.8 | 157.3 | -156 | 0 | 0 | 0 | 0 | 109.4 | S196 C200 C229 | S196-V198 PolarHBondContact O-N 2.77Å; V198-C200 HydrophobicContact CB-CB 4.12Å; V198-C200 HydrophobicContact CG1-CB 3.5Å; V198-C200 VanDerWaalsContact CG1-CB 3.5Å; V198-C200 PolarHBondContact O-N 2.97Å; V198-C229 HydrophobicContact CG1-CB 4.37Å | ||
| 199 | N | 62.6 | Low | 63.9 | Low | 185 Ų | 185 | 105.7 Ų | 105.7 | 99% | 0.989 | 62% | 0.621 | S | S | * | * | trans | -67.8 | 51 | 164.9 | -74.1 | -36.6 | 0 | 0 | 0 | 110.1 | ||||
| 200 | C | 69.1 | Low | 66.1 | Low | 28 Ų | 28 | 100.8 Ų | 100.8 | 19% | 0.189 | 59% | 0.592 | C | S | . | * | trans | -101.5 | 117.7 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V198 E202 C229 | V198-C200 HydrophobicContact CB-CB 4.12Å; V198-C200 HydrophobicContact CG1-CB 3.5Å; V198-C200 VanDerWaalsContact CG1-CB 3.5Å; V198-C200 PolarHBondContact O-N 2.97Å; C200-E202 PolarHBondContact O-N 2.71Å; C200-E202 VanDerWaalsContact O-N 3.12Å; C200-C229 VanDerWaalsContact CA-SG 3.57Å; C200-C229 HydrophobicContact CB-CB 3.63Å; C200-C229 WeakPolarHBondContact CB-SG 3.47Å; C200-C229 WeakPolarHBondContact SG-CB 3.04Å; C200-C229 CovalentContact SG-SG 2.02Å; C200-C229 PolarHBondContact SG-SG 3.37Å | ||
| 201 | I | 78.9 | Confident | 68.2 | Low | 139 Ų | 139 | 101.4 Ų | 101.4 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | trans | -73.1 | 104 | 166.3 | -60 | 173.6 | 0 | 0 | 0 | 106.2 | Q203 N224 | I201-Q203 HydrophobicContact CG2-CG 4.48Å; I201-Q203 PolarHBondContact O-N 3.42Å; I201-N224 PolarHBondContact O-ND2 2.97Å | ||
| 202 | E | 82.6 | Confident | 70.3 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | trans | -64.3 | 123 | 178.8 | -67.1 | -165.5 | 173 | 0 | 0 | 110.6 | C200 N224 R225 | C200-E202 PolarHBondContact O-N 2.71Å; C200-E202 VanDerWaalsContact O-N 3.12Å; E202-N224 WeakPolarHBondContact CA-OD1 3.37Å; E202-R225 IonicContact OE1-NE 2.8Å; E202-R225 IonicContact OE2-NE 3.74Å | ||
| 203 | Q | 81.6 | Confident | 72.7 | Confident | 100 Ų | 100 | 95.7 Ų | 95.7 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | trans | -123.8 | 125 | 175.2 | -66.1 | -174.8 | -27.9 | 0 | 0 | 108 | I201 T223 N224 | I201-Q203 HydrophobicContact CG2-CG 4.48Å; I201-Q203 PolarHBondContact O-N 3.42Å; Q203-T223 WeakPolarHBondContact O-CA 3.37Å; Q203-N224 PolarHBondContact N-OD1 3.49Å; Q203-N224 PolarHBondContact O-N 3.36Å; Q203-N224 VanDerWaalsContact O-N 3.09Å; Q203-N224 PolarHBondContact O-OD1 3.45Å | ||
| 204 | T | 84.7 | Confident | 74.4 | Confident | 64 Ų | 64 | 90.4 Ų | 90.4 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -137.5 | 120.5 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 108.2 | T223 | T204-T223 PolarHBondContact OG1-OG1 2.93Å |
| 205 | T | 87.3 | Confident | 76.6 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 157.4 | 174.1 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | V222 | T205-V222 HydrophobicContact CG2-CB 4.28Å; T205-V222 PolarHBondContact N-O 3.26Å; T205-V222 PolarHBondContact OG1-N 3.23Å; T205-V222 PolarHBondContact OG1-O 3.25Å |
| 206 | E | 87.1 | Confident | 78.9 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 160.8 | 164.1 | -70.8 | -55.4 | 137 | 0 | 0 | 111.4 | L144 | L144-E206 HydrophobicContact CD1-CB 3.95Å; L144-E206 HydrophobicContact CD1-CG 4.48Å |
| 207 | W | 88.1 | Confident | 81.1 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 136.9 | 175.9 | -73.7 | 100.5 | 0 | 0 | 0 | 111.4 | S219 R221 Q234 R236 | W207-S219 WeakPolarHBondContact CZ3-O 3.46Å; W207-R221 HydrophobicContact CD2-CB 4.08Å; W207-R221 HydrophobicContact CD2-CG 4.02Å; W207-R221 VanDerWaalsContact CE2-CD 3.49Å; W207-R221 HydrophobicContact CE3-CB 3.87Å; W207-R221 HydrophobicContact CE3-CG 3.85Å; W207-R221 HydrophobicContact CH2-CG 3.81Å; W207-R221 HydrophobicContact CZ2-CG 3.97Å; W207-R221 VanDerWaalsContact CZ2-NE 3.29Å; W207-R221 HydrophobicContact CZ3-CB 4.2Å; W207-R221 HydrophobicContact CZ3-CG 3.74Å; W207-Q234 HydrophobicContact CH2-CB 4.17Å; W207-R236 VanDerWaalsContact CD1-CZ 3.43Å; W207-R236 HydrophobicContact CD2-CG 4.27Å; W207-R236 HydrophobicContact CE3-CG 3.79Å; W207-R236 HydrophobicContact CH2-CB 3.89Å; W207-R236 HydrophobicContact CH2-CG 3.81Å; W207-R236 HydrophobicContact CZ2-CG 4.28Å; W207-R236 HydrophobicContact CZ3-CB 3.96Å; W207-R236 HydrophobicContact CZ3-CG 3.54Å |
| 208 | S | 88.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 75 Ų | 75 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 158 | 171.9 | 80 | 0 | 0 | 0 | 0 | 111.3 | S219 T220 | S208-S219 PolarHBondContact O-OG 2.95Å; S208-T220 WeakPolarHBondContact CB-O 3.48Å; S208-T220 PolarHBondContact N-O 3.29Å; S208-T220 PolarHBondContact OG-N 2.95Å; S208-T220 PolarHBondContact OG-O 2.98Å |
| 209 | A | 88.2 | Confident | 85.3 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 151.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S211 | A209-S211 PolarHBondContact O-N 2.98Š|
| 210 | C | 89.2 | Confident | 86.6 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 132.6 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 109.6 | K212 C238 V240 | C210-K212 PolarHBondContact O-N 3.21Å; C210-C238 WeakPolarHBondContact CA-SG 3.48Å; C210-C238 HydrophobicContact CB-CB 3.9Å; C210-C238 WeakPolarHBondContact CB-SG 3.4Å; C210-C238 VanDerWaalsContact SG-C 3.56Å; C210-C238 WeakPolarHBondContact SG-CB 3.43Å; C210-C238 PolarHBondContact SG-O 2.83Å; C210-C238 CovalentContact SG-SG 2.04Å; C210-C238 PolarHBondContact SG-SG 3.43Å; C210-V240 HydrophobicContact CB-CG2 3.65Å |
| 211 | S | 89.8 | Confident | 87.5 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -61.6 | -16.3 | -177.8 | 73.2 | 0 | 0 | 0 | 0 | 114 | A209 W218 | A209-S211 PolarHBondContact O-N 2.98Å; S211-W218 WeakPolarHBondContact CB-O 3.38Å; S211-W218 PolarHBondContact N-O 3.26Å; S211-W218 PolarHBondContact OG-N 2.8Å |
| 212 | K | 85.6 | Confident | 88 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 52% | 0.522 | 34% | 0.338 | S | S | . | . | trans | -128.3 | 140.6 | 175.4 | -62.4 | -168 | 177.2 | -174.8 | 0 | 110.2 | C210 C214 | C210-K212 PolarHBondContact O-N 3.21Å; K212-C214 VanDerWaalsContact CB-O 3.28Å; K212-C214 WeakPolarHBondContact CB-O 3.39Å | ||
| 213 | S | 83.6 | Confident | 88.3 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -78.1 | -22.4 | 178 | 63.5 | 0 | 0 | 0 | 0 | 113 | R241 | S213-R241 WeakPolarHBondContact O-CG 3.46Å; S213-R241 PolarHBondContact O-NE 3.13Å |
| 214 | C | 87.3 | Confident | 88.6 | Confident | 39 Ų | 39 | 52 Ų | 52 | 26% | 0.264 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -138.6 | 161.3 | 168.8 | 78.7 | 0 | 0 | 0 | 0 | 110.6 | K212 R241 C243 | K212-C214 VanDerWaalsContact CB-O 3.28Å; K212-C214 WeakPolarHBondContact CB-O 3.39Å; C214-R241 CarbonylContact C-O 3.59Å; C214-R241 VanDerWaalsContact CA-O 3.27Å; C214-R241 WeakPolarHBondContact CA-O 3.33Å; C214-R241 HydrophobicContact CB-CG 3.95Å; C214-C243 HydrophobicContact CB-CB 4.03Å; C214-C243 WeakPolarHBondContact CB-SG 3Å; C214-C243 WeakPolarHBondContact SG-CB 3.46Å; C214-C243 CovalentContact SG-SG 2.06Å; C214-C243 PolarHBondContact SG-SG 2.87Å |
| 215 | G | 88.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 70.7 | -170.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G217 M239 R241 C243 | G215-G217 PolarHBondContact O-N 2.76Å; G215-M239 WeakPolarHBondContact O-CA 3.36Å; G215-M239 WeakPolarHBondContact O-CG 3.25Å; G215-R241 PolarHBondContact N-O 2.84Å; G215-C243 PolarHBondContact N-SG 3.31Å |
| 216 | M | 92.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -80.5 | 118.6 | -177.6 | -172.4 | 83.2 | -83.7 | 0 | 0 | 110.5 | L237 C238 M239 F272 | M216-L237 HydrophobicContact CE-CB 3.53Å; M216-L237 HydrophobicContact CE-CD2 4.32Å; M216-L237 HydrophobicContact CE-CG 4.43Å; M216-L237 HydrophobicContact CG-CD2 4.11Å; M216-L237 HydrophobicContact SD-CB 3.96Å; M216-L237 HydrophobicContact SD-CD1 4.24Å; M216-L237 HydrophobicContact SD-CD2 4.18Å; M216-L237 HydrophobicContact SD-CG 4.36Å; M216-C238 WeakPolarHBondContact CE-O 3.38Å; M216-M239 HydrophobicContact CB-CE 3.98Å; M216-M239 HydrophobicContact CE-CB 4.06Å; M216-M239 HydrophobicContact SD-CE 4.36Å; M216-F272 HydrophobicContact CG-CD2 4.12Å |
| 217 | G | 93.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | -165 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G215 L237 C238 | G215-G217 PolarHBondContact O-N 2.76Å; G217-L237 WeakPolarHBondContact O-CA 3.21Å; G217-C238 PolarHBondContact N-O 3.08Å; G217-C238 PolarHBondContact O-N 2.8Å |
| 218 | W | 93 | Very high | 88.2 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.5 | -177.1 | -55.8 | 100.7 | 0 | 0 | 0 | 112.1 | S211 T235 R236 L237 C238 F272 | S211-W218 WeakPolarHBondContact CB-O 3.38Å; S211-W218 PolarHBondContact N-O 3.26Å; S211-W218 PolarHBondContact OG-N 2.8Å; W218-T235 HydrophobicContact CB-CG2 4.25Å; W218-T235 HydrophobicContact CD2-CG2 4.2Å; W218-T235 HydrophobicContact CE3-CG2 3.49Å; W218-T235 VanDerWaalsContact CE3-CG2 3.49Å; W218-T235 HydrophobicContact CZ3-CG2 4.11Å; W218-R236 WeakPolarHBondContact CA-O 3.27Å; W218-L237 HydrophobicContact CD2-CD2 4.06Å; W218-L237 HydrophobicContact CE3-CD2 3.55Å; W218-L237 HydrophobicContact CE3-CG 4.25Å; W218-L237 HydrophobicContact CH2-CD2 3.62Å; W218-L237 HydrophobicContact CH2-CG 4.47Å; W218-L237 HydrophobicContact CZ2-CD2 4.08Å; W218-L237 HydrophobicContact CZ3-CD2 3.32Å; W218-L237 HydrophobicContact CZ3-CG 3.89Å; W218-C238 PolarHBondContact N-SG 3.03Å; W218-C238 VanDerWaalsContact N-SG 3.4Å; W218-C238 PolarHBondContact O-SG 2.03Å; W218-C238 VanDerWaalsContact O-SG 3.39Å; W218-F272 HydrophobicContact CH2-CE1 4.36Å; W218-F272 AromaticContact CH2-CE2 3.46Å; W218-F272 HydrophobicContact CH2-CE2 3.46Å; W218-F272 VanDerWaalsContact CH2-CE2 3.46Å; W218-F272 AromaticContact CH2-CZ 3.32Å; W218-F272 HydrophobicContact CH2-CZ 3.32Å; W218-F272 AromaticContact CZ2-CE2 3.28Å; W218-F272 HydrophobicContact CZ2-CE2 3.28Å; W218-F272 AromaticContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ2-CZ 3.44Å; W218-F272 VanDerWaalsContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ3-CE2 4.45Å; W218-F272 HydrophobicContact CZ3-CZ 4.48Å |
| 219 | S | 90.7 | Very high | 88 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.1 | 170.9 | 169.9 | 0 | 0 | 0 | 0 | 107.6 | W207 S208 T235 R236 | W207-S219 WeakPolarHBondContact CZ3-O 3.46Å; S208-S219 PolarHBondContact O-OG 2.95Å; S219-T235 CarbonylContact O-C 3.46Å; S219-T235 WeakPolarHBondContact O-CA 3.4Å; S219-R236 PolarHBondContact N-O 2.71Å; S219-R236 PolarHBondContact O-N 3.47Å |
| 220 | T | 88.4 | Confident | 87.8 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.5 | -174 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | S208 Q234 T235 | S208-T220 WeakPolarHBondContact CB-O 3.48Å; S208-T220 PolarHBondContact N-O 3.29Å; S208-T220 PolarHBondContact OG-N 2.95Å; S208-T220 PolarHBondContact OG-O 2.98Å; T220-Q234 CarbonylContact C-O 3.56Å; T220-Q234 WeakPolarHBondContact CA-O 3.4Å; T220-T235 HydrophobicContact CG2-CG2 3.95Å |
| 221 | R | 89.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 25% | 0.253 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.1 | 171.1 | 71 | 173.5 | 179.4 | 179.5 | 3.5 | 109.4 | W207 K233 Q234 | W207-R221 HydrophobicContact CD2-CB 4.08Å; W207-R221 HydrophobicContact CD2-CG 4.02Å; W207-R221 VanDerWaalsContact CE2-CD 3.49Å; W207-R221 HydrophobicContact CE3-CB 3.87Å; W207-R221 HydrophobicContact CE3-CG 3.85Å; W207-R221 HydrophobicContact CH2-CG 3.81Å; W207-R221 HydrophobicContact CZ2-CG 3.97Å; W207-R221 VanDerWaalsContact CZ2-NE 3.29Å; W207-R221 HydrophobicContact CZ3-CB 4.2Å; W207-R221 HydrophobicContact CZ3-CG 3.74Å; R221-K233 CarbonylContact O-C 3.12Å; R221-K233 WeakPolarHBondContact O-CA 3.34Å; R221-Q234 HydrophobicContact CG-CB 3.96Å; R221-Q234 VanDerWaalsContact CZ-OE1 3.23Å; R221-Q234 PolarHBondContact N-O 3.15Å; R221-Q234 PolarHBondContact O-N 3.08Å |
| 222 | V | 89.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 70 Ų | 70 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.2 | 172.2 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | T205 M231 V232 | T205-V222 HydrophobicContact CG2-CB 4.28Å; T205-V222 PolarHBondContact N-O 3.26Å; T205-V222 PolarHBondContact OG1-N 3.23Å; T205-V222 PolarHBondContact OG1-O 3.25Å; V222-M231 HydrophobicContact CB-CE 4.47Å; V222-M231 HydrophobicContact CG1-CB 4.16Å; V222-M231 HydrophobicContact CG1-CE 3.56Å; V222-M231 HydrophobicContact CG1-SD 4.09Å; V222-V232 WeakPolarHBondContact CA-O 2.99Å |
| 223 | T | 88.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 141.5 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | Q203 T204 R225 V232 Q234 | Q203-T223 WeakPolarHBondContact O-CA 3.37Å; T204-T223 PolarHBondContact OG1-OG1 2.93Å; T223-R225 VanDerWaalsContact OG1-CB 3.29Å; T223-R225 WeakPolarHBondContact OG1-CB 3.12Å; T223-R225 PolarHBondContact OG1-N 2.84Å; T223-R225 VanDerWaalsContact OG1-N 3.08Å; T223-V232 PolarHBondContact N-O 3.02Å; T223-V232 PolarHBondContact O-N 3.35Å; T223-Q234 HydrophobicContact CG2-CG 3.78Å |
| 224 | N | 87.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | trans | -96.1 | 11.4 | 168.8 | 68.4 | -5.3 | 0 | 0 | 0 | 113.4 | I201 E202 Q203 N226 C229 E230 M231 | I201-N224 PolarHBondContact O-ND2 2.97Å; E202-N224 WeakPolarHBondContact CA-OD1 3.37Å; Q203-N224 PolarHBondContact N-OD1 3.49Å; Q203-N224 PolarHBondContact O-N 3.36Å; Q203-N224 VanDerWaalsContact O-N 3.09Å; Q203-N224 PolarHBondContact O-OD1 3.45Å; N224-N226 PolarHBondContact O-N 3.18Å; N224-C229 WeakPolarHBondContact O-CA 3.1Å; N224-E230 VanDerWaalsContact CA-O 3.3Å; N224-E230 WeakPolarHBondContact CA-O 3.42Å; N224-M231 HydrophobicContact CB-CG 4.28Å; N224-M231 HydrophobicContact CB-SD 3.67Å | ||
| 225 | R | 86.3 | Confident | 88 | Confident | 170 Ų | 170 | 71.7 Ų | 71.7 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | trans | -75.7 | 72.7 | 178.6 | -167.3 | 174.9 | 178.1 | 178.6 | -0.2 | 111.2 | E202 T223 | E202-R225 IonicContact OE1-NE 2.8Å; E202-R225 IonicContact OE2-NE 3.74Å; T223-R225 VanDerWaalsContact OG1-CB 3.29Å; T223-R225 WeakPolarHBondContact OG1-CB 3.12Å; T223-R225 PolarHBondContact OG1-N 2.84Å; T223-R225 VanDerWaalsContact OG1-N 3.08Å | ||
| 226 | N | 85.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -142.5 | 168.2 | 171.1 | 58.3 | 63 | 0 | 0 | 0 | 109.3 | N224 Q228 C229 E230 | N224-N226 PolarHBondContact O-N 3.18Å; N226-Q228 PolarHBondContact O-N 3.02Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.41Å; N226-Q228 PolarHBondContact OD1-N 3.08Å; N226-Q228 VanDerWaalsContact OD1-N 3.07Å; N226-C229 PolarHBondContact O-N 3.3Å; N226-C229 VanDerWaalsContact O-N 3.12Å; N226-C229 PolarHBondContact OD1-N 3.32Å; N226-E230 PolarHBondContact ND2-O 2.85Å; N226-E230 PolarHBondContact OD1-N 2.98Å |
| 227 | R | 83 | Confident | 88.5 | Confident | 229 Ų | 229 | 69.9 Ų | 69.9 | 86% | 0.864 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.5 | -175.7 | -67.9 | -175.4 | 175 | 167 | -2.3 | 113.1 | ||
| 228 | Q | 83.3 | Confident | 88.5 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.6 | -177.3 | -60.9 | 90.8 | -35.1 | 0 | 0 | 113.4 | N226 E230 | N226-Q228 PolarHBondContact O-N 3.02Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.41Å; N226-Q228 PolarHBondContact OD1-N 3.08Å; N226-Q228 VanDerWaalsContact OD1-N 3.07Å; Q228-E230 HydrophobicContact CB-CG 3.99Å; Q228-E230 PolarHBondContact O-N 2.83Å |
| 229 | C | 83.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | trans | 56.2 | 25.9 | -173.2 | -163.6 | 0 | 0 | 0 | 0 | 114.6 | V198 C200 N224 N226 | V198-C229 HydrophobicContact CG1-CB 4.37Å; C200-C229 VanDerWaalsContact CA-SG 3.57Å; C200-C229 HydrophobicContact CB-CB 3.63Å; C200-C229 WeakPolarHBondContact CB-SG 3.47Å; C200-C229 WeakPolarHBondContact SG-CB 3.04Å; C200-C229 CovalentContact SG-SG 2.02Å; C200-C229 PolarHBondContact SG-SG 3.37Å; N224-C229 WeakPolarHBondContact O-CA 3.1Å; N226-C229 PolarHBondContact O-N 3.3Å; N226-C229 VanDerWaalsContact O-N 3.12Å; N226-C229 PolarHBondContact OD1-N 3.32Å | ||
| 230 | E | 84.9 | Confident | 88.5 | Confident | 124 Ų | 124 | 67 Ų | 67 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | trans | -87.4 | 138.9 | -178.1 | -71.3 | -179.7 | 175.1 | 0 | 0 | 111.7 | N224 N226 Q228 V232 | N224-E230 VanDerWaalsContact CA-O 3.3Å; N224-E230 WeakPolarHBondContact CA-O 3.42Å; N226-E230 PolarHBondContact ND2-O 2.85Å; N226-E230 PolarHBondContact OD1-N 2.98Å; Q228-E230 HydrophobicContact CB-CG 3.99Å; Q228-E230 PolarHBondContact O-N 2.83Å; E230-V232 HydrophobicContact CB-CG2 4.44Å; E230-V232 PolarHBondContact O-N 2.84Å; E230-V232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | M | 83.6 | Confident | 88.5 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | trans | -69.6 | 108 | 176 | -73.3 | -68.6 | -90.7 | 0 | 0 | 110.9 | V222 N224 | V222-M231 HydrophobicContact CB-CE 4.47Å; V222-M231 HydrophobicContact CG1-CB 4.16Å; V222-M231 HydrophobicContact CG1-CE 3.56Å; V222-M231 HydrophobicContact CG1-SD 4.09Å; N224-M231 HydrophobicContact CB-CG 4.28Å; N224-M231 HydrophobicContact CB-SD 3.67Å | ||
| 232 | V | 85.3 | Confident | 88.4 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.6 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | V222 T223 E230 Q234 | V222-V232 WeakPolarHBondContact CA-O 2.99Å; T223-V232 PolarHBondContact N-O 3.02Å; T223-V232 PolarHBondContact O-N 3.35Å; E230-V232 HydrophobicContact CB-CG2 4.44Å; E230-V232 PolarHBondContact O-N 2.84Å; E230-V232 VanDerWaalsContact O-N 3.08Å; V232-Q234 PolarHBondContact O-N 3.18Å |
| 233 | K | 87.9 | Confident | 88.1 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 61% | 0.609 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 112.3 | 171.8 | -175.9 | 177.5 | 179.2 | 176.8 | 0 | 110.5 | R221 | R221-K233 CarbonylContact O-C 3.12Å; R221-K233 WeakPolarHBondContact O-CA 3.34Å |
| 234 | Q | 90.8 | Very high | 87.2 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.5 | 171.1 | -67.9 | -174.7 | -17.2 | 0 | 0 | 110.6 | W207 T220 R221 T223 V232 | W207-Q234 HydrophobicContact CH2-CB 4.17Å; T220-Q234 CarbonylContact C-O 3.56Å; T220-Q234 WeakPolarHBondContact CA-O 3.4Å; R221-Q234 HydrophobicContact CG-CB 3.96Å; R221-Q234 VanDerWaalsContact CZ-OE1 3.23Å; R221-Q234 PolarHBondContact N-O 3.15Å; R221-Q234 PolarHBondContact O-N 3.08Å; T223-Q234 HydrophobicContact CG2-CG 3.78Å; V232-Q234 PolarHBondContact O-N 3.18Å |
| 235 | T | 91.2 | Very high | 85.6 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.2 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 110 | W218 S219 T220 P318 | W218-T235 HydrophobicContact CB-CG2 4.25Å; W218-T235 HydrophobicContact CD2-CG2 4.2Å; W218-T235 HydrophobicContact CE3-CG2 3.49Å; W218-T235 VanDerWaalsContact CE3-CG2 3.49Å; W218-T235 HydrophobicContact CZ3-CG2 4.11Å; S219-T235 CarbonylContact O-C 3.46Å; S219-T235 WeakPolarHBondContact O-CA 3.4Å; T220-T235 HydrophobicContact CG2-CG2 3.95Å; T235-P318 WeakPolarHBondContact O-CG 3.45Å |
| 236 | R | 95.3 | Very high | 83.4 | Confident | 6 Ų | 6 | 85.8 Ų | 85.8 | 2% | 0.023 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.2 | 172.2 | 72.6 | -178.8 | 176.5 | 172.2 | 1.8 | 111.7 | W207 W218 S219 T300 T302 P318 M320 | W207-R236 VanDerWaalsContact CD1-CZ 3.43Å; W207-R236 HydrophobicContact CD2-CG 4.27Å; W207-R236 HydrophobicContact CE3-CG 3.79Å; W207-R236 HydrophobicContact CH2-CB 3.89Å; W207-R236 HydrophobicContact CH2-CG 3.81Å; W207-R236 HydrophobicContact CZ2-CG 4.28Å; W207-R236 HydrophobicContact CZ3-CB 3.96Å; W207-R236 HydrophobicContact CZ3-CG 3.54Å; W218-R236 WeakPolarHBondContact CA-O 3.27Å; S219-R236 PolarHBondContact N-O 2.71Å; S219-R236 PolarHBondContact O-N 3.47Å; R236-T300 PolarHBondContact NH1-OG1 3.43Å; R236-T300 PolarHBondContact NH2-OG1 2.04Å; R236-T302 HydrophobicContact CB-CG2 4.42Å; R236-T302 WeakPolarHBondContact CD-OG1 3.36Å; R236-T302 PolarHBondContact NH1-OG1 2.96Å; R236-P318 WeakPolarHBondContact CA-O 3.3Å; R236-P318 HydrophobicContact CB-CB 4.06Å; R236-P318 HydrophobicContact CB-CG 4.19Å; R236-M320 PolarHBondContact NH2-SD 2.05Å |
| 237 | L | 96.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 86.8 Ų | 86.8 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.7 | 170.4 | -71.2 | 176.1 | 0 | 0 | 0 | 109.7 | M216 G217 W218 F272 F307 K317 P318 V319 M320 | M216-L237 HydrophobicContact CE-CB 3.53Å; M216-L237 HydrophobicContact CE-CD2 4.32Å; M216-L237 HydrophobicContact CE-CG 4.43Å; M216-L237 HydrophobicContact CG-CD2 4.11Å; M216-L237 HydrophobicContact SD-CB 3.96Å; M216-L237 HydrophobicContact SD-CD1 4.24Å; M216-L237 HydrophobicContact SD-CD2 4.18Å; M216-L237 HydrophobicContact SD-CG 4.36Å; G217-L237 WeakPolarHBondContact O-CA 3.21Å; W218-L237 HydrophobicContact CD2-CD2 4.06Å; W218-L237 HydrophobicContact CE3-CD2 3.55Å; W218-L237 HydrophobicContact CE3-CG 4.25Å; W218-L237 HydrophobicContact CH2-CD2 3.62Å; W218-L237 HydrophobicContact CH2-CG 4.47Å; W218-L237 HydrophobicContact CZ2-CD2 4.08Å; W218-L237 HydrophobicContact CZ3-CD2 3.32Å; W218-L237 HydrophobicContact CZ3-CG 3.89Å; L237-F272 HydrophobicContact CD1-CB 4.22Å; L237-F272 HydrophobicContact CD1-CD1 4.38Å; L237-F272 HydrophobicContact CD1-CD2 4.08Å; L237-F272 HydrophobicContact CD1-CG 3.94Å; L237-F272 HydrophobicContact CD2-CD2 3.48Å; L237-F272 VanDerWaalsContact CD2-CD2 3.48Å; L237-F272 HydrophobicContact CD2-CE2 3.57Å; L237-F272 HydrophobicContact CD2-CG 4.19Å; L237-F272 HydrophobicContact CD2-CZ 4.33Å; L237-F272 HydrophobicContact CG-CD2 4.46Å; L237-F307 HydrophobicContact CD1-CE2 4.15Å; L237-F307 HydrophobicContact CD1-CZ 4.13Å; L237-K317 HydrophobicContact CD1-CB 3.78Å; L237-K317 HydrophobicContact CD1-CG 4.31Å; L237-P318 PolarHBondContact N-O 2.68Å; L237-V319 HydrophobicContact CB-CB 4.47Å; L237-V319 HydrophobicContact CB-CG1 4.47Å; L237-V319 HydrophobicContact CB-CG2 4.04Å; L237-V319 HydrophobicContact CD1-CG2 4.1Å; L237-V319 CarbonylContact O-C 3.52Å; L237-V319 WeakPolarHBondContact O-CA 3.06Å; L237-M320 WeakPolarHBondContact O-CB 3Å; L237-M320 PolarHBondContact O-N 3.43Å |
| 238 | C | 94.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.2 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | C210 M216 G217 W218 M320 | C210-C238 WeakPolarHBondContact CA-SG 3.48Å; C210-C238 HydrophobicContact CB-CB 3.9Å; C210-C238 WeakPolarHBondContact CB-SG 3.4Å; C210-C238 VanDerWaalsContact SG-C 3.56Å; C210-C238 WeakPolarHBondContact SG-CB 3.43Å; C210-C238 PolarHBondContact SG-O 2.83Å; C210-C238 CovalentContact SG-SG 2.04Å; C210-C238 PolarHBondContact SG-SG 3.43Å; M216-C238 WeakPolarHBondContact CE-O 3.38Å; G217-C238 PolarHBondContact N-O 3.08Å; G217-C238 PolarHBondContact O-N 2.8Å; W218-C238 PolarHBondContact N-SG 3.03Å; W218-C238 VanDerWaalsContact N-SG 3.4Å; W218-C238 PolarHBondContact O-SG 2.03Å; W218-C238 VanDerWaalsContact O-SG 3.39Å; C238-M320 HydrophobicContact CB-CB 4.09Å; C238-M320 HydrophobicContact CB-CE 3.54Å; C238-M320 HydrophobicContact CB-SD 3.92Å |
| 239 | M | 92.5 | Very high | 77.2 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 16% | 0.163 | 43% | 0.426 | C | S | . | . | trans | -133.9 | 105.5 | 174.2 | -175.8 | 179.3 | -67.3 | 0 | 0 | 108.8 | G215 M216 F285 | G215-M239 WeakPolarHBondContact O-CA 3.36Å; G215-M239 WeakPolarHBondContact O-CG 3.25Å; M216-M239 HydrophobicContact CB-CE 3.98Å; M216-M239 HydrophobicContact CE-CB 4.06Å; M216-M239 HydrophobicContact SD-CE 4.36Å; M239-F285 HydrophobicContact CB-CE1 4.41Å; M239-F285 HydrophobicContact CG-CD1 4.4Å; M239-F285 HydrophobicContact CG-CE1 3.76Å; M239-F285 HydrophobicContact SD-CE1 3.6Å; M239-F285 HydrophobicContact SD-CZ 3.97Å | ||
| 240 | V | 89.9 | Confident | 75.2 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 7% | 0.073 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -72.4 | -42 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | C210 F285 C286 P297 | C210-V240 HydrophobicContact CB-CG2 3.65Å; V240-F285 CarbonylContact O-C 3.49Å; V240-F285 VanDerWaalsContact O-CA 3.31Å; V240-F285 WeakPolarHBondContact O-CA 2.97Å; V240-F285 WeakPolarHBondContact O-CB 3.34Å; V240-C286 HydrophobicContact CG1-CB 3.87Å; V240-C286 PolarHBondContact O-N 3.1Å; V240-P297 HydrophobicContact CG2-CG 4.24Å |
| 241 | R | 88.2 | Confident | 73.1 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 32% | 0.321 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -159.4 | 152.5 | 179.4 | 51.5 | -171.6 | 146.5 | -175.7 | -7.9 | 110 | S213 C214 G215 F285 | S213-R241 WeakPolarHBondContact O-CG 3.46Å; S213-R241 PolarHBondContact O-NE 3.13Å; C214-R241 CarbonylContact C-O 3.59Å; C214-R241 VanDerWaalsContact CA-O 3.27Å; C214-R241 WeakPolarHBondContact CA-O 3.33Å; C214-R241 HydrophobicContact CB-CG 3.95Å; G215-R241 PolarHBondContact N-O 2.84Å; R241-F285 HydrophobicContact CB-CB 4.43Å |
| 242 | P | 88 | Confident | 71.3 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | trans | -65.4 | 152.5 | 168.6 | 28.7 | -34 | 0 | 0 | 0 | 110.5 | F285 | P242-F285 HydrophobicContact CG-CD2 4.4Å; P242-F285 HydrophobicContact CG-CE2 4.34Å | ||
| 243 | C | 83.6 | Confident | 69.2 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -81.8 | -29.4 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | C214 G215 | C214-C243 HydrophobicContact CB-CB 4.03Å; C214-C243 WeakPolarHBondContact CB-SG 3Å; C214-C243 WeakPolarHBondContact SG-CB 3.46Å; C214-C243 CovalentContact SG-SG 2.06Å; C214-C243 PolarHBondContact SG-SG 2.87Å; G215-C243 PolarHBondContact N-SG 3.31Å |
| 244 | E | 68.8 | Low | 67 | Low | 177 Ų | 177 | 97.4 Ų | 97.4 | 83% | 0.827 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -115.2 | 87.3 | -179.6 | -70.2 | 176.7 | -175.6 | 0 | 0 | 110.7 | ||
| 245 | Q | 55 | Low | 64.6 | Low | 157 Ų | 157 | 97.1 Ų | 97.1 | 73% | 0.734 | 53% | 0.526 | S | S | * | . | trans | -170.3 | 86 | 154.5 | -109.4 | 162 | 65.2 | 0 | 0 | 107.9 | P247 | Q245-P247 WeakPolarHBondContact O-CD 3.31Š| ||
| 246 | E | 40.7 | Very low | 62.7 | Low | 185 Ų | 185 | 103.5 Ų | 103.5 | 86% | 0.864 | 55% | 0.549 | S | S | * | . | trans | -49 | 115 | 158.3 | -81.6 | -66.8 | 147.1 | 0 | 0 | 108.7 | ||||
| 247 | P | 47.2 | Very low | 60.5 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | trans | -85.5 | 115.6 | 165.9 | 10.2 | 8.8 | 0 | 0 | 0 | 108.2 | Q245 | Q245-P247 WeakPolarHBondContact O-CD 3.31Š| ||
| 248 | T | 39.2 | Very low | 58.4 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | trans | -36.5 | 128.5 | 160.3 | 31.2 | 0 | 0 | 0 | 0 | 110.9 | P250 | T248-P250 VanDerWaalsContact O-CD 3.3Å; T248-P250 WeakPolarHBondContact O-CD 3.19Å | ||
| 249 | P | 35.2 | Very low | 56.7 | Low | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.7 | -177.6 | 24.5 | -31.1 | 0 | 0 | 0 | 109.6 | ||
| 250 | P | 41.2 | Very low | 55.1 | Low | 106 Ų | 106 | 125.2 Ų | 125.2 | 69% | 0.688 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133 | 164.6 | 6.2 | 11.1 | 0 | 0 | 0 | 108.5 | T248 | T248-P250 VanDerWaalsContact O-CD 3.3Å; T248-P250 WeakPolarHBondContact O-CD 3.19Å |
| 251 | T | 40.3 | Very low | 53.8 | Low | 134 Ų | 134 | 127.2 Ų | 127.2 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 144.2 | 178 | 35.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 252 | D | 46.2 | Very low | 52.8 | Low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -32.3 | 123.6 | -177.5 | -65.3 | -67.3 | 0 | 0 | 0 | 116.7 | ||||
| 253 | K | 41.8 | Very low | 51.8 | Low | 204 Ų | 204 | 131.1 Ų | 131.1 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -140 | 109.9 | 142.2 | -67.6 | -165.3 | 179.7 | -176.9 | 0 | 110.1 | G255 | K253-G255 PolarHBondContact O-N 2.88Š| ||
| 254 | K | 42.1 | Very low | 51.3 | Low | 219 Ų | 219 | 128.2 Ų | 128.2 | 95% | 0.952 | 66% | 0.655 | S | S | * | * | trans | -58.8 | 117.5 | 174.5 | -83 | 176.5 | 174.4 | 175.6 | 0 | 110.6 | ||||
| 255 | G | 39.7 | Very low | 51.4 | Low | 61 Ų | 61 | 127.9 Ų | 127.9 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -178.5 | 123.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K253 K257 | K253-G255 PolarHBondContact O-N 2.88Å; G255-K257 PolarHBondContact O-N 3.5Å | ||
| 256 | K | 52.1 | Low | 52.5 | Low | 196 Ų | 196 | 128.1 Ų | 128.1 | 85% | 0.852 | 66% | 0.657 | S | S | * | * | trans | -57.6 | 120.9 | 176.9 | -59 | 179.3 | 178.4 | -177.9 | 0 | 110.1 | ||||
| 257 | K | 47.9 | Very low | 54.7 | Low | 161 Ų | 161 | 121.3 Ų | 121.3 | 70% | 0.7 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 174.5 | 142.7 | 160.5 | -96.3 | 152.2 | -166.5 | -170.7 | 0 | 112.1 | G255 L259 | G255-K257 PolarHBondContact O-N 3.5Å; K257-L259 VanDerWaalsContact C-N 3.28Å; K257-L259 HydrophobicContact CB-CD1 3.91Å; K257-L259 HydrophobicContact CB-CG 4.16Å; K257-L259 PolarHBondContact O-N 3.3Å |
| 258 | C | 52.1 | Low | 56.8 | Low | 37 Ų | 37 | 120.8 Ų | 120.8 | 25% | 0.25 | 63% | 0.625 | C | S | . | * | trans | -64.7 | 89.5 | 163.8 | -161 | 0 | 0 | 0 | 0 | 108.1 | C295 C327 | C258-C295 WeakPolarHBondContact CB-SG 3.02Å; C258-C295 WeakPolarHBondContact SG-CB 3.34Å; C258-C295 CovalentContact SG-SG 2.1Å; C258-C295 PolarHBondContact SG-SG 3.02Å; C258-C327 HydrophobicContact CB-CB 4.33Å; C258-C327 WeakPolarHBondContact CB-SG 3.39Å; C258-C327 PolarHBondContact SG-SG 3.14Å | ||
| 259 | L | 59.2 | Low | 59.3 | Low | 140 Ų | 140 | 119 Ų | 119 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | trans | -106.9 | 78.4 | 178.9 | -95.7 | 157.9 | 0 | 0 | 0 | 110.3 | K257 | K257-L259 VanDerWaalsContact C-N 3.28Å; K257-L259 HydrophobicContact CB-CD1 3.91Å; K257-L259 HydrophobicContact CB-CG 4.16Å; K257-L259 PolarHBondContact O-N 3.3Å | ||
| 260 | R | 60 | Low | 62.1 | Low | 159 Ų | 159 | 114 Ų | 114 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | 168.1 | 106 | 128.8 | -99 | 168.7 | 148.4 | 122 | -6.3 | 108.9 | K262 G287 | R260-K262 VanDerWaalsContact C-N 3.25Å; R260-K262 HydrophobicContact CB-CG 3.76Å; R260-K262 HydrophobicContact CG-CG 4.29Å; R260-K262 PolarHBondContact O-N 2.83Å; R260-G287 PolarHBondContact O-N 2.87Å | |||
| 261 | T | 61.1 | Low | 64.5 | Low | 53 Ų | 53 | 115.4 Ų | 115.4 | 33% | 0.325 | 57% | 0.571 | S | S | . | * | trans | -57.3 | 102.6 | 134.9 | 38.8 | 0 | 0 | 0 | 0 | 106.8 | K263 F285 I322 C325 | T261-K263 PolarHBondContact O-N 2.03Å; T261-F285 CarbonylContact C-O 3.6Å; T261-F285 VanDerWaalsContact CA-O 3.23Å; T261-F285 WeakPolarHBondContact CA-O 3.03Å; T261-I322 HydrophobicContact CG2-CG2 4.45Å; T261-C325 HydrophobicContact CG2-CB 4.27Å; T261-C325 VanDerWaalsContact CG2-SG 3.5Å | ||
| 262 | K | 66.7 | Low | 66.9 | Low | 85 Ų | 85 | 110 Ų | 110 | 37% | 0.37 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 105 | 173.1 | -73.7 | -168.8 | 178.3 | 176.2 | 0 | 106.8 | R260 S264 F285 | R260-K262 VanDerWaalsContact C-N 3.25Å; R260-K262 HydrophobicContact CB-CG 3.76Å; R260-K262 HydrophobicContact CG-CG 4.29Å; R260-K262 PolarHBondContact O-N 2.83Å; K262-S264 PolarHBondContact O-N 2.89Å; K262-F285 PolarHBondContact N-O 2.72Å; K262-F285 PolarHBondContact O-N 3.49Å |
| 263 | K | 68.4 | Low | 68.9 | Low | 130 Ų | 130 | 110.9 Ų | 110.9 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.5 | 160.8 | -80.1 | -178 | 178.3 | -177.7 | 0 | 107 | T261 L265 R284 | T261-K263 PolarHBondContact O-N 2.03Å; K263-L265 PolarHBondContact O-N 2.86Å; K263-R284 VanDerWaalsContact CE-CZ 3.45Å; K263-R284 HydrophobicContact CG-CG 3.64Å |
| 264 | S | 73 | Confident | 71.3 | Confident | 21 Ų | 21 | 107.4 Ų | 107.4 | 15% | 0.147 | 52% | 0.524 | C | S | . | . | trans | -55.6 | 126.9 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | K262 K266 P283 | K262-S264 PolarHBondContact O-N 2.89Å; S264-K266 WeakPolarHBondContact CB-O 3.39Å; S264-K266 PolarHBondContact O-N 2.96Å; S264-K266 PolarHBondContact OG-O 3.5Å; S264-P283 PolarHBondContact N-O 3.47Å | ||
| 265 | L | 70.6 | Confident | 73.7 | Confident | 170 Ų | 170 | 97.4 Ų | 97.4 | 89% | 0.89 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -64.7 | -29.5 | 178.9 | -65.1 | 173.8 | 0 | 0 | 0 | 111 | K263 | K263-L265 PolarHBondContact O-N 2.86Š|
| 266 | K | 77.9 | Confident | 76.3 | Confident | 162 Ų | 162 | 97.4 Ų | 97.4 | 70% | 0.704 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -115.8 | 147.6 | 178.9 | -62.6 | -178.1 | -179.3 | 179.9 | 0 | 110.5 | S264 I268 | S264-K266 WeakPolarHBondContact CB-O 3.39Å; S264-K266 PolarHBondContact O-N 2.96Å; S264-K266 PolarHBondContact OG-O 3.5Å; K266-I268 PolarHBondContact O-N 2.81Å |
| 267 | A | 87.8 | Confident | 78.4 | Confident | 41 Ų | 41 | 88.1 Ų | 88.1 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | trans | -71 | 125.9 | 166 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y281 K282 | A267-Y281 CarbonylContact C-O 3.55Å; A267-Y281 VanDerWaalsContact CA-O 3.3Å; A267-Y281 WeakPolarHBondContact CA-O 3.42Å; A267-K282 HydrophobicContact CB-CG 3.79Å | ||
| 268 | I | 89.6 | Confident | 80.6 | Confident | 58 Ų | 58 | 83.6 Ų | 83.6 | 30% | 0.297 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 150.5 | -175.8 | 62.9 | 171.7 | 0 | 0 | 0 | 110 | K266 T280 Y281 P283 F285 | K266-I268 PolarHBondContact O-N 2.81Å; I268-T280 CarbonylContact O-C 3.59Å; I268-T280 WeakPolarHBondContact O-CA 3.38Å; I268-Y281 PolarHBondContact N-O 3.07Å; I268-Y281 PolarHBondContact O-N 3.32Å; I268-P283 HydrophobicContact CD1-CG 3.98Å; I268-P283 HydrophobicContact CG1-CG 4.13Å; I268-F285 HydrophobicContact CD1-CZ 4.19Å |
| 269 | H | 92.9 | Very high | 82.5 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | trans | -76.4 | 137.5 | 164.5 | -69.3 | -85.3 | 0 | 0 | 0 | 109.4 | T276 S277 H279 T280 | H269-T276 HydrophobicContact CB-CG2 3.56Å; H269-S277 WeakPolarHBondContact CA-OG 3.23Å; H269-S277 PolarHBondContact ND1-O 3.43Å; H269-H279 PolarHBondContact ND1-O 2.02Å; H269-T280 WeakPolarHBondContact NE2-CG2 3.04Å | ||
| 270 | L | 93.1 | Very high | 84.2 | Confident | 14 Ų | 14 | 84.2 Ų | 84.2 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | trans | -81.6 | 135.9 | 172.7 | -59 | 176.7 | 0 | 0 | 0 | 108.4 | S277 Y281 V305 F307 V319 | L270-S277 PolarHBondContact N-OG 3.47Å; L270-S277 PolarHBondContact O-N 3.4Å; L270-Y281 HydrophobicContact CD1-CD2 3.97Å; L270-Y281 HydrophobicContact CD1-CE2 4.45Å; L270-Y281 HydrophobicContact CD1-CG 4.31Å; L270-Y281 HydrophobicContact CG-CD2 4.07Å; L270-V305 HydrophobicContact CD1-CG1 4.44Å; L270-V305 HydrophobicContact CD1-CG2 4.34Å; L270-F307 HydrophobicContact CB-CE1 3.87Å; L270-F307 HydrophobicContact CB-CZ 4.14Å; L270-F307 WeakPolarHBondContact O-CE1 3.23Å; L270-V319 HydrophobicContact CD1-CG1 4.09Å | ||
| 271 | Q | 91.5 | Very high | 85.7 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.4 | 178 | -69.5 | 179.9 | -11.7 | 0 | 0 | 110.2 | ||
| 272 | F | 90.6 | Very high | 87.1 | Confident | 20 Ų | 20 | 83.8 Ų | 83.8 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 111.6 | 175.6 | 171.1 | -109.3 | 0 | 0 | 0 | 109.3 | M216 W218 L237 N274 C275 F307 I315 | M216-F272 HydrophobicContact CG-CD2 4.12Å; W218-F272 HydrophobicContact CH2-CE1 4.36Å; W218-F272 AromaticContact CH2-CE2 3.46Å; W218-F272 HydrophobicContact CH2-CE2 3.46Å; W218-F272 VanDerWaalsContact CH2-CE2 3.46Å; W218-F272 AromaticContact CH2-CZ 3.32Å; W218-F272 HydrophobicContact CH2-CZ 3.32Å; W218-F272 AromaticContact CZ2-CE2 3.28Å; W218-F272 HydrophobicContact CZ2-CE2 3.28Å; W218-F272 AromaticContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ2-CZ 3.44Å; W218-F272 VanDerWaalsContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ3-CE2 4.45Å; W218-F272 HydrophobicContact CZ3-CZ 4.48Å; L237-F272 HydrophobicContact CD1-CB 4.22Å; L237-F272 HydrophobicContact CD1-CD1 4.38Å; L237-F272 HydrophobicContact CD1-CD2 4.08Å; L237-F272 HydrophobicContact CD1-CG 3.94Å; L237-F272 HydrophobicContact CD2-CD2 3.48Å; L237-F272 VanDerWaalsContact CD2-CD2 3.48Å; L237-F272 HydrophobicContact CD2-CE2 3.57Å; L237-F272 HydrophobicContact CD2-CG 4.19Å; L237-F272 HydrophobicContact CD2-CZ 4.33Å; L237-F272 HydrophobicContact CG-CD2 4.46Å; F272-N274 PolarHBondContact O-N 2.8Å; F272-C275 PolarHBondContact N-O 2.87Å; F272-C275 WeakPolarHBondContact O-CA 3.35Å; F272-C275 VanDerWaalsContact O-CB 3.27Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 3.31Å; F272-F307 HydrophobicContact CB-CD1 4.27Å; F272-F307 HydrophobicContact CB-CE1 3.95Å; F272-F307 HydrophobicContact CB-CZ 4.35Å; F272-I315 HydrophobicContact CD1-CD1 4.46Å; F272-I315 HydrophobicContact CE1-CD1 4.49Å |
| 273 | K | 89.1 | Confident | 88.2 | Confident | 171 Ų | 171 | 80.9 Ų | 80.9 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | -129.7 | -172.4 | -58.4 | -177.3 | 174.9 | -171.6 | 0 | 109.8 | C275 | K273-C275 PolarHBondContact O-N 3Š|
| 274 | N | 91.1 | Very high | 89.2 | Confident | 131 Ų | 131 | 78.6 Ų | 78.6 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 27 | 178.2 | -59.7 | -14 | 0 | 0 | 0 | 112.7 | F272 C309 S310 | F272-N274 PolarHBondContact O-N 2.8Å; N274-C309 WeakPolarHBondContact O-CA 3Å; N274-S310 PolarHBondContact O-N 2.93Å |
| 275 | C | 93.5 | Very high | 90 | Very high | 10 Ų | 10 | 78.3 Ų | 78.3 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.8 | -176.2 | -40.6 | 0 | 0 | 0 | 0 | 112 | F272 K273 F307 Q308 C309 | F272-C275 PolarHBondContact N-O 2.87Å; F272-C275 WeakPolarHBondContact O-CA 3.35Å; F272-C275 VanDerWaalsContact O-CB 3.27Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 3.31Å; K273-C275 PolarHBondContact O-N 3Å; C275-F307 HydrophobicContact CB-CB 3.78Å; C275-F307 HydrophobicContact CB-CD1 4.39Å; C275-F307 HydrophobicContact CB-CG 4.45Å; C275-Q308 CarbonylContact C-O 3.55Å; C275-Q308 VanDerWaalsContact CA-O 3.25Å; C275-Q308 WeakPolarHBondContact CA-O 3.39Å; C275-C309 HydrophobicContact CB-CB 3.91Å; C275-C309 WeakPolarHBondContact CB-SG 3.21Å; C275-C309 WeakPolarHBondContact SG-CB 3.39Å; C275-C309 CovalentContact SG-SG 2.02Å; C275-C309 PolarHBondContact SG-SG 3.05Å |
| 276 | T | 94.5 | Very high | 90.8 | Very high | 60 Ų | 60 | 70.5 Ų | 70.5 | 37% | 0.368 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.7 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | H269 F307 Q308 | H269-T276 HydrophobicContact CB-CG2 3.56Å; T276-F307 CarbonylContact O-C 3.53Å; T276-F307 WeakPolarHBondContact O-CA 3.15Å; T276-Q308 PolarHBondContact N-O 2.88Å; T276-Q308 PolarHBondContact O-N 2.74Å |
| 277 | S | 95.4 | Very high | 91 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141 | 178.7 | 65 | 0 | 0 | 0 | 0 | 111.3 | H269 L270 H279 E306 | H269-S277 WeakPolarHBondContact CA-OG 3.23Å; H269-S277 PolarHBondContact ND1-O 3.43Å; L270-S277 PolarHBondContact N-OG 3.47Å; L270-S277 PolarHBondContact O-N 3.4Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 WeakPolarHBondContact CB-O 3.25Å; S277-H279 PolarHBondContact O-N 3.37Å; S277-H279 PolarHBondContact OG-O 3.09Å; S277-E306 WeakPolarHBondContact CA-O 3.41Å |
| 278 | L | 93.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -63.8 | -42.2 | 177.7 | -70.2 | 177.1 | 0 | 0 | 0 | 111.8 | E306 Q308 T314 | L278-E306 HydrophobicContact CD1-CB 3.81Å; L278-E306 HydrophobicContact CG-CB 4.35Å; L278-E306 PolarHBondContact N-O 2.81Å; L278-Q308 HydrophobicContact CD2-CB 3.73Å; L278-Q308 HydrophobicContact CD2-CG 4.46Å; L278-T314 HydrophobicContact CD1-CG2 4.1Å |
| 279 | H | 93.9 | Very high | 90 | Very high | 119 Ų | 119 | 65.1 Ų | 65.1 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -99.6 | 157.1 | 178.4 | -59.1 | -58.2 | 0 | 0 | 0 | 111.7 | H269 S277 Y281 | H269-H279 PolarHBondContact ND1-O 2.02Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 WeakPolarHBondContact CB-O 3.25Å; S277-H279 PolarHBondContact O-N 3.37Å; S277-H279 PolarHBondContact OG-O 3.09Å; H279-Y281 HydrophobicContact CB-CE2 4.08Å; H279-Y281 VanDerWaalsContact O-CD2 3.3Å; H279-Y281 WeakPolarHBondContact O-CD2 3.44Å; H279-Y281 WeakPolarHBondContact O-CE2 3.02Å |
| 280 | T | 93.1 | Very high | 89.1 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | trans | -86.7 | 145.5 | 168.8 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | I268 H269 | I268-T280 CarbonylContact O-C 3.59Å; I268-T280 WeakPolarHBondContact O-CA 3.38Å; H269-T280 WeakPolarHBondContact NE2-CG2 3.04Å | ||
| 281 | Y | 92.4 | Very high | 88.1 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 149.7 | -179.3 | -64 | -91.7 | 0 | 0 | 0 | 109.9 | A267 I268 L270 H279 P283 I303 V305 | A267-Y281 CarbonylContact C-O 3.55Å; A267-Y281 VanDerWaalsContact CA-O 3.3Å; A267-Y281 WeakPolarHBondContact CA-O 3.42Å; I268-Y281 PolarHBondContact N-O 3.07Å; I268-Y281 PolarHBondContact O-N 3.32Å; L270-Y281 HydrophobicContact CD1-CD2 3.97Å; L270-Y281 HydrophobicContact CD1-CE2 4.45Å; L270-Y281 HydrophobicContact CD1-CG 4.31Å; L270-Y281 HydrophobicContact CG-CD2 4.07Å; H279-Y281 HydrophobicContact CB-CE2 4.08Å; H279-Y281 VanDerWaalsContact O-CD2 3.3Å; H279-Y281 WeakPolarHBondContact O-CD2 3.44Å; H279-Y281 WeakPolarHBondContact O-CE2 3.02Å; Y281-P283 WeakPolarHBondContact O-CD 3.32Å; Y281-I303 HydrophobicContact CD1-CD1 4.11Å; Y281-I303 HydrophobicContact CE1-CD1 3.86Å; Y281-V305 HydrophobicContact CE1-CG2 4.29Å; Y281-V305 HydrophobicContact CE2-CG1 3.81Å; Y281-V305 HydrophobicContact CE2-CG2 4.39Å |
| 282 | K | 90.3 | Very high | 87.1 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | trans | -105.5 | 73.7 | 170.6 | -70.7 | -175 | 179.5 | -179.4 | 0 | 110 | A267 | A267-K282 HydrophobicContact CB-CG 3.79Š| ||
| 283 | P | 90.2 | Very high | 86.7 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 16% | 0.156 | 38% | 0.379 | C | S | . | . | trans | -65.6 | 155 | -177.8 | 28.2 | -35.4 | 0 | 0 | 0 | 111.6 | S264 I268 Y281 F285 | S264-P283 PolarHBondContact N-O 3.47Å; I268-P283 HydrophobicContact CD1-CG 3.98Å; I268-P283 HydrophobicContact CG1-CG 4.13Å; Y281-P283 WeakPolarHBondContact O-CD 3.32Å; P283-F285 HydrophobicContact CB-CE1 4.05Å; P283-F285 HydrophobicContact CB-CE2 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.89Å; P283-F285 HydrophobicContact CG-CE1 4.01Å; P283-F285 HydrophobicContact CG-CE2 3.77Å; P283-F285 HydrophobicContact CG-CZ 3.35Å | ||
| 284 | R | 89.7 | Confident | 86.3 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.1 | 163.8 | -68.8 | -177.7 | -177.8 | 84.7 | -8.2 | 108.3 | K263 I322 G323 | K263-R284 VanDerWaalsContact CE-CZ 3.45Å; K263-R284 HydrophobicContact CG-CG 3.64Å; R284-I322 HydrophobicContact CB-CB 4.26Å; R284-I322 WeakPolarHBondContact CB-O 3.44Å; R284-I322 WeakPolarHBondContact CD-O 3.06Å; R284-G323 WeakPolarHBondContact CD-O 3.39Å |
| 285 | F | 89.2 | Confident | 86 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 148.5 | 175.5 | -60.4 | -60.2 | 0 | 0 | 0 | 110.9 | M239 V240 R241 P242 T261 K262 I268 P283 | M239-F285 HydrophobicContact CB-CE1 4.41Å; M239-F285 HydrophobicContact CG-CD1 4.4Å; M239-F285 HydrophobicContact CG-CE1 3.76Å; M239-F285 HydrophobicContact SD-CE1 3.6Å; M239-F285 HydrophobicContact SD-CZ 3.97Å; V240-F285 CarbonylContact O-C 3.49Å; V240-F285 VanDerWaalsContact O-CA 3.31Å; V240-F285 WeakPolarHBondContact O-CA 2.97Å; V240-F285 WeakPolarHBondContact O-CB 3.34Å; R241-F285 HydrophobicContact CB-CB 4.43Å; P242-F285 HydrophobicContact CG-CD2 4.4Å; P242-F285 HydrophobicContact CG-CE2 4.34Å; T261-F285 CarbonylContact C-O 3.6Å; T261-F285 VanDerWaalsContact CA-O 3.23Å; T261-F285 WeakPolarHBondContact CA-O 3.03Å; K262-F285 PolarHBondContact N-O 2.72Å; K262-F285 PolarHBondContact O-N 3.49Å; I268-F285 HydrophobicContact CD1-CZ 4.19Å; P283-F285 HydrophobicContact CB-CE1 4.05Å; P283-F285 HydrophobicContact CB-CE2 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.89Å; P283-F285 HydrophobicContact CG-CE1 4.01Å; P283-F285 HydrophobicContact CG-CE2 3.77Å; P283-F285 HydrophobicContact CG-CZ 3.35Å |
| 286 | C | 87 | Confident | 85.6 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | trans | -79.9 | 139 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | V240 C325 | V240-C286 HydrophobicContact CG1-CB 3.87Å; V240-C286 PolarHBondContact O-N 3.1Å; C286-C325 WeakPolarHBondContact CA-SG 3.36Å; C286-C325 HydrophobicContact CB-CB 3.84Å; C286-C325 WeakPolarHBondContact CB-SG 3.49Å; C286-C325 WeakPolarHBondContact SG-CB 3.39Å; C286-C325 CovalentContact SG-SG 2.04Å; C286-C325 PolarHBondContact SG-SG 3.4Å | ||
| 287 | G | 82 | Confident | 85.4 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | trans | -87.4 | -155.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R260 | R260-G287 PolarHBondContact O-N 2.87Š| ||
| 288 | V | 77.4 | Confident | 85 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | trans | -111.5 | 148.2 | 172.4 | -67.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 289 | C | 80.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | trans | -84.9 | 141.7 | 171.7 | -44.8 | 0 | 0 | 0 | 0 | 109 | D291 R293 C295 C327 | C289-D291 WeakPolarHBondContact CB-OD1 3.3Å; C289-D291 PolarHBondContact O-N 3.33Å; C289-R293 HydrophobicContact CB-CB 3.97Å; C289-R293 WeakPolarHBondContact CB-O 3.47Å; C289-R293 PolarHBondContact SG-O 2.94Å; C289-C295 WeakPolarHBondContact SG-CB 3.39Å; C289-C295 PolarHBondContact SG-N 3Å; C289-C295 VanDerWaalsContact SG-N 3.43Å; C289-C327 HydrophobicContact CB-CB 4.15Å; C289-C327 WeakPolarHBondContact CB-SG 3.48Å; C289-C327 WeakPolarHBondContact SG-CB 3.21Å; C289-C327 CovalentContact SG-SG 2.01Å; C289-C327 PolarHBondContact SG-SG 2.87Å | ||
| 290 | S | 72.6 | Confident | 84.7 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.2 | 179.2 | 48.8 | 0 | 0 | 0 | 0 | 114 | ||
| 291 | D | 72.9 | Confident | 84.7 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.3 | -174.3 | 58.3 | -0.1 | 0 | 0 | 0 | 113.2 | C289 R293 | C289-D291 WeakPolarHBondContact CB-OD1 3.3Å; C289-D291 PolarHBondContact O-N 3.33Å; D291-R293 VanDerWaalsContact CG-NE 3.32Å; D291-R293 PolarHBondContact O-N 2.84Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 PolarHBondContact OD1-N 2.05Å; D291-R293 IonicContact OD1-NE 3.3Å; D291-R293 PolarHBondContact OD1-NE 3.26Å; D291-R293 IonicContact OD2-CZ 3.12Å; D291-R293 IonicContact OD2-NE 2.76Å; D291-R293 PolarHBondContact OD2-NE 3.07Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 2.71Å |
| 292 | G | 70.4 | Confident | 84.8 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 77% | 0.773 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 77.3 | -1.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 293 | R | 81.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 33% | 0.328 | 34% | 0.338 | S | S | . | . | trans | -74.2 | 157.2 | 171.6 | -68.2 | -172.5 | -66.8 | 165 | -9.3 | 111.7 | C289 D291 C327 H328 | C289-R293 HydrophobicContact CB-CB 3.97Å; C289-R293 WeakPolarHBondContact CB-O 3.47Å; C289-R293 PolarHBondContact SG-O 2.94Å; D291-R293 VanDerWaalsContact CG-NE 3.32Å; D291-R293 PolarHBondContact O-N 2.84Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 PolarHBondContact OD1-N 2.05Å; D291-R293 IonicContact OD1-NE 3.3Å; D291-R293 PolarHBondContact OD1-NE 3.26Å; D291-R293 IonicContact OD2-CZ 3.12Å; D291-R293 IonicContact OD2-NE 2.76Å; D291-R293 PolarHBondContact OD2-NE 3.07Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 2.71Å; R293-C327 HydrophobicContact CB-CB 4.07Å; R293-C327 PolarHBondContact NH1-O 3.41Å; R293-H328 WeakPolarHBondContact CB-O 3.34Å | ||
| 294 | C | 80.9 | Confident | 85.4 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 137.7 | 169.5 | 39.6 | 0 | 0 | 0 | 0 | 110.3 | C327 H328 C331 | C294-C327 VanDerWaalsContact O-CA 3.31Å; C294-C327 WeakPolarHBondContact O-CA 3.48Å; C294-H328 PolarHBondContact N-O 2.96Å; C294-H328 VanDerWaalsContact N-O 3.16Å; C294-H328 PolarHBondContact O-N 3.38Å; C294-H328 PolarHBondContact SG-CE1 3.44Å; C294-H328 PolarHBondContact SG-O 2.98Å; C294-C331 HydrophobicContact CB-CB 3.9Å; C294-C331 WeakPolarHBondContact CB-SG 3.45Å; C294-C331 PolarHBondContact N-SG 3.08Å; C294-C331 VanDerWaalsContact N-SG 3.4Å; C294-C331 WeakPolarHBondContact SG-CA 3.45Å; C294-C331 WeakPolarHBondContact SG-CB 3.45Å; C294-C331 CovalentContact SG-SG 2.05Å; C294-C331 PolarHBondContact SG-SG 2.92Å |
| 295 | C | 84.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.6 | 171.2 | -150.8 | 0 | 0 | 0 | 0 | 109.1 | C258 C289 T326 | C258-C295 WeakPolarHBondContact CB-SG 3.02Å; C258-C295 WeakPolarHBondContact SG-CB 3.34Å; C258-C295 CovalentContact SG-SG 2.1Å; C258-C295 PolarHBondContact SG-SG 3.02Å; C289-C295 WeakPolarHBondContact SG-CB 3.39Å; C289-C295 PolarHBondContact SG-N 3Å; C289-C295 VanDerWaalsContact SG-N 3.43Å; C295-T326 VanDerWaalsContact CA-O 3.29Å; C295-T326 WeakPolarHBondContact CA-O 3.41Å |
| 296 | T | 86.6 | Confident | 86 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 160.8 | -178.1 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | H298 C325 T326 H328 | T296-H298 PolarHBondContact O-N 2.99Å; T296-C325 CarbonylContact O-C 3.56Å; T296-C325 WeakPolarHBondContact O-CA 3.44Å; T296-C325 WeakPolarHBondContact O-CB 3.32Å; T296-T326 PolarHBondContact N-O 2.88Å; T296-T326 PolarHBondContact O-N 3.12Å; T296-H328 WeakPolarHBondContact CG2-NE2 3.4Å; T296-H328 PolarHBondContact OG1-CD2 3.46Å; T296-H328 VanDerWaalsContact OG1-CD2 3.24Å; T296-H328 PolarHBondContact OG1-NE2 2.92Å |
| 297 | P | 89.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.8 | 176.8 | -20 | 32.5 | 0 | 0 | 0 | 111.7 | V240 T300 M320 I322 | V240-P297 HydrophobicContact CG2-CG 4.24Å; P297-T300 HydrophobicContact CB-CG2 3.52Å; P297-M320 HydrophobicContact CB-CE 4.44Å; P297-M320 HydrophobicContact CG-CE 3.96Å; P297-I322 HydrophobicContact CB-CD1 4.4Å; P297-I322 HydrophobicContact CB-CG1 4.27Å; P297-I322 HydrophobicContact CG-CD1 3.98Å; P297-I322 HydrophobicContact CG-CG1 4.33Å |
| 298 | H | 86.6 | Confident | 87.1 | Confident | 120 Ų | 120 | 66.6 Ų | 66.6 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | trans | -106.6 | -69.1 | 177.6 | 179.8 | -105.4 | 0 | 0 | 0 | 110.9 | T296 T324 T326 | T296-H298 PolarHBondContact O-N 2.99Å; H298-T324 PolarHBondContact N-O 3.04Å; H298-T326 HydrophobicContact CB-CG2 4.05Å | ||
| 299 | N | 88.5 | Confident | 87.9 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -91.8 | 118.3 | 173.2 | -173.5 | -5.3 | 0 | 0 | 0 | 109.6 | G323 T324 | N299-G323 WeakPolarHBondContact O-CA 3.39Å; N299-G323 PolarHBondContact O-N 2.74Å; N299-T324 VanDerWaalsContact CB-OG1 3.3Å; N299-T324 WeakPolarHBondContact CB-OG1 3.48Å; N299-T324 PolarHBondContact N-O 2.86Å; N299-T324 PolarHBondContact N-OG1 3.41Å; N299-T324 PolarHBondContact O-N 2.86Å |
| 300 | T | 92.3 | Very high | 88.2 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.7 | 179.8 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | R236 P297 M320 V321 | R236-T300 PolarHBondContact NH1-OG1 3.43Å; R236-T300 PolarHBondContact NH2-OG1 2.04Å; P297-T300 HydrophobicContact CB-CG2 3.52Å; T300-M320 HydrophobicContact CG2-CG 4.01Å; T300-M320 HydrophobicContact CG2-SD 3.84Å; T300-V321 CarbonylContact C-O 3.47Å; T300-V321 WeakPolarHBondContact CA-O 3.03Å |
| 301 | K | 93.9 | Very high | 88.6 | Confident | 150 Ų | 150 | 66.8 Ų | 66.8 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 157.3 | 171.1 | -64.3 | -173 | 178.8 | -172.5 | 0 | 109.7 | M320 V321 | K301-M320 CarbonylContact O-C 3.55Å; K301-M320 WeakPolarHBondContact O-CA 3.48Å; K301-V321 PolarHBondContact N-O 3.47Å; K301-V321 PolarHBondContact O-N 3.07Å |
| 302 | T | 95 | Very high | 88.9 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 36% | 0.362 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.7 | 173.4 | -57 | 0 | 0 | 0 | 0 | 108.8 | R236 P318 V319 | R236-T302 HydrophobicContact CB-CG2 4.42Å; R236-T302 WeakPolarHBondContact CD-OG1 3.36Å; R236-T302 PolarHBondContact NH1-OG1 2.96Å; T302-P318 HydrophobicContact CG2-CB 3.54Å; T302-V319 WeakPolarHBondContact CA-O 3.14Å |
| 303 | I | 95.6 | Very high | 89.8 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151 | 174.3 | 65.4 | 171.3 | 0 | 0 | 0 | 109.8 | Y281 V305 P318 V319 V321 | Y281-I303 HydrophobicContact CD1-CD1 4.11Å; Y281-I303 HydrophobicContact CE1-CD1 3.86Å; I303-V305 HydrophobicContact CD1-CG2 3.82Å; I303-V305 HydrophobicContact CG1-CG2 3.86Å; I303-P318 CarbonylContact O-C 3.6Å; I303-P318 WeakPolarHBondContact O-CA 3.02Å; I303-V319 HydrophobicContact CG1-CB 4.41Å; I303-V319 PolarHBondContact N-O 2.97Å; I303-V319 PolarHBondContact O-N 3.24Å; I303-V321 HydrophobicContact CB-CG2 4.35Å; I303-V321 HydrophobicContact CD1-CG2 3.56Å; I303-V321 HydrophobicContact CG1-CG2 3.65Å; I303-V321 HydrophobicContact CG2-CG2 3.83Å |
| 304 | Q | 96.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 68 Ų | 68 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.6 | 170.8 | -64.7 | -66.1 | -10.3 | 0 | 0 | 109 | ||
| 305 | V | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.2 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | L270 Y281 I303 F307 K316 K317 V319 | L270-V305 HydrophobicContact CD1-CG1 4.44Å; L270-V305 HydrophobicContact CD1-CG2 4.34Å; Y281-V305 HydrophobicContact CE1-CG2 4.29Å; Y281-V305 HydrophobicContact CE2-CG1 3.81Å; Y281-V305 HydrophobicContact CE2-CG2 4.39Å; I303-V305 HydrophobicContact CD1-CG2 3.82Å; I303-V305 HydrophobicContact CG1-CG2 3.86Å; V305-F307 HydrophobicContact CB-CD2 4.28Å; V305-F307 HydrophobicContact CB-CE2 3.62Å; V305-F307 HydrophobicContact CB-CZ 4.16Å; V305-F307 HydrophobicContact CG1-CD2 3.92Å; V305-F307 HydrophobicContact CG1-CE1 4.36Å; V305-F307 HydrophobicContact CG1-CE2 3.45Å; V305-F307 VanDerWaalsContact CG1-CE2 3.45Å; V305-F307 HydrophobicContact CG1-CZ 3.69Å; V305-F307 WeakPolarHBondContact O-CD2 3.39Å; V305-K316 WeakPolarHBondContact O-CA 3.37Å; V305-K317 PolarHBondContact N-O 3.09Å; V305-K317 PolarHBondContact O-N 3.11Å; V305-V319 HydrophobicContact CB-CG2 3.73Å; V305-V319 HydrophobicContact CG2-CB 3.84Å; V305-V319 HydrophobicContact CG2-CG2 3.53Å |
| 306 | E | 96.5 | Very high | 91.5 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126 | 172.5 | -73.8 | 171.2 | -163.1 | 0 | 0 | 110.2 | S277 L278 T314 I315 K316 | S277-E306 WeakPolarHBondContact CA-O 3.41Å; L278-E306 HydrophobicContact CD1-CB 3.81Å; L278-E306 HydrophobicContact CG-CB 4.35Å; L278-E306 PolarHBondContact N-O 2.81Å; E306-T314 HydrophobicContact CB-CG2 4.27Å; E306-I315 WeakPolarHBondContact CA-O 3.04Å; E306-K316 HydrophobicContact CG-CD 4.15Å; E306-K316 HydrophobicContact CG-CG 3.65Å; E306-K316 WeakPolarHBondContact OE1-CE 3.11Å; E306-K316 IonicContact OE1-NZ 3.07Å; E306-K316 PolarHBondContact OE1-NZ 3.49Å |
| 307 | F | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.9 | 177.9 | -65.7 | -98.3 | 0 | 0 | 0 | 110.2 | L237 L270 F272 C275 T276 V305 T314 I315 K317 V319 | L237-F307 HydrophobicContact CD1-CE2 4.15Å; L237-F307 HydrophobicContact CD1-CZ 4.13Å; L270-F307 HydrophobicContact CB-CE1 3.87Å; L270-F307 HydrophobicContact CB-CZ 4.14Å; L270-F307 WeakPolarHBondContact O-CE1 3.23Å; F272-F307 HydrophobicContact CB-CD1 4.27Å; F272-F307 HydrophobicContact CB-CE1 3.95Å; F272-F307 HydrophobicContact CB-CZ 4.35Å; C275-F307 HydrophobicContact CB-CB 3.78Å; C275-F307 HydrophobicContact CB-CD1 4.39Å; C275-F307 HydrophobicContact CB-CG 4.45Å; T276-F307 CarbonylContact O-C 3.53Å; T276-F307 WeakPolarHBondContact O-CA 3.15Å; V305-F307 HydrophobicContact CB-CD2 4.28Å; V305-F307 HydrophobicContact CB-CE2 3.62Å; V305-F307 HydrophobicContact CB-CZ 4.16Å; V305-F307 HydrophobicContact CG1-CD2 3.92Å; V305-F307 HydrophobicContact CG1-CE1 4.36Å; V305-F307 HydrophobicContact CG1-CE2 3.45Å; V305-F307 VanDerWaalsContact CG1-CE2 3.45Å; V305-F307 HydrophobicContact CG1-CZ 3.69Å; V305-F307 WeakPolarHBondContact O-CD2 3.39Å; F307-T314 CarbonylContact O-C 3.6Å; F307-T314 VanDerWaalsContact O-CA 3.25Å; F307-T314 WeakPolarHBondContact O-CA 3.29Å; F307-I315 HydrophobicContact CB-CG1 3.95Å; F307-I315 PolarHBondContact N-O 3.27Å; F307-I315 PolarHBondContact O-N 2.04Å; F307-K317 HydrophobicContact CD2-CB 4.3Å; F307-K317 HydrophobicContact CE2-CB 4.05Å; F307-V319 HydrophobicContact CE2-CG2 4.07Å; F307-V319 HydrophobicContact CZ-CG2 4.1Å |
| 308 | Q | 95.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 76.2 Ų | 76.2 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.7 | 169.3 | -170.6 | 173.7 | 31 | 0 | 0 | 109 | C275 T276 L278 | C275-Q308 CarbonylContact C-O 3.55Å; C275-Q308 VanDerWaalsContact CA-O 3.25Å; C275-Q308 WeakPolarHBondContact CA-O 3.39Å; T276-Q308 PolarHBondContact N-O 2.88Å; T276-Q308 PolarHBondContact O-N 2.74Å; L278-Q308 HydrophobicContact CD2-CB 3.73Å; L278-Q308 HydrophobicContact CD2-CG 4.46Å |
| 309 | C | 93.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 147.4 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | N274 C275 P311 G312 Q313 | N274-C309 WeakPolarHBondContact O-CA 3Å; C275-C309 HydrophobicContact CB-CB 3.91Å; C275-C309 WeakPolarHBondContact CB-SG 3.21Å; C275-C309 WeakPolarHBondContact SG-CB 3.39Å; C275-C309 CovalentContact SG-SG 2.02Å; C275-C309 PolarHBondContact SG-SG 3.05Å; C309-P311 CarbonylContact O-C 3.55Å; C309-G312 PolarHBondContact O-N 2.72Å; C309-Q313 HydrophobicContact CB-CB 4.46Å; C309-Q313 WeakPolarHBondContact CB-O 3.33Å; C309-Q313 PolarHBondContact N-O 3.17Å; C309-Q313 PolarHBondContact O-N 3.47Å; C309-Q313 VanDerWaalsContact O-N 3.14Å |
| 310 | S | 88.1 | Confident | 93.1 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 71% | 0.706 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 127.9 | 169.4 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | N274 | N274-S310 PolarHBondContact O-N 2.93Š|
| 311 | P | 80.3 | Confident | 93.1 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 84% | 0.844 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.8 | 112.4 | 1.6 | 33.8 | -28.7 | 0 | 0 | 0 | 113.3 | C309 Q313 | C309-P311 CarbonylContact O-C 3.55Å; P311-Q313 VanDerWaalsContact C-N 3.27Å; P311-Q313 PolarHBondContact O-N 2.89Å |
| 312 | G | 79.1 | Confident | 93.1 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -2.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | C309 | C309-G312 PolarHBondContact O-N 2.72Š|
| 313 | Q | 90.2 | Very high | 92.8 | Very high | 128 Ų | 128 | 59.6 Ų | 59.6 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.4 | -176.7 | -171.2 | 178.3 | 42.6 | 0 | 0 | 111.7 | C309 P311 I315 | C309-Q313 HydrophobicContact CB-CB 4.46Å; C309-Q313 WeakPolarHBondContact CB-O 3.33Å; C309-Q313 PolarHBondContact N-O 3.17Å; C309-Q313 PolarHBondContact O-N 3.47Å; C309-Q313 VanDerWaalsContact O-N 3.14Å; P311-Q313 VanDerWaalsContact C-N 3.27Å; P311-Q313 PolarHBondContact O-N 2.89Å; Q313-I315 HydrophobicContact CG-CG2 4.09Å |
| 314 | T | 92.9 | Very high | 92.3 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.5 | 170.4 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | L278 E306 F307 | L278-T314 HydrophobicContact CD1-CG2 4.1Å; E306-T314 HydrophobicContact CB-CG2 4.27Å; F307-T314 CarbonylContact O-C 3.6Å; F307-T314 VanDerWaalsContact O-CA 3.25Å; F307-T314 WeakPolarHBondContact O-CA 3.29Å |
| 315 | I | 93.5 | Very high | 91.9 | Very high | 35 Ų | 35 | 54.9 Ų | 54.9 | 18% | 0.179 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.3 | 177.9 | 65.8 | 175.1 | 0 | 0 | 0 | 111.2 | F272 E306 F307 Q313 K317 | F272-I315 HydrophobicContact CD1-CD1 4.46Å; F272-I315 HydrophobicContact CE1-CD1 4.49Å; E306-I315 WeakPolarHBondContact CA-O 3.04Å; F307-I315 HydrophobicContact CB-CG1 3.95Å; F307-I315 PolarHBondContact N-O 3.27Å; F307-I315 PolarHBondContact O-N 2.04Å; Q313-I315 HydrophobicContact CG-CG2 4.09Å; I315-K317 HydrophobicContact CD1-CG 4.14Å; I315-K317 HydrophobicContact CG1-CG 4.42Å |
| 316 | K | 95.3 | Very high | 91.4 | Very high | 134 Ų | 134 | 56.8 Ų | 56.8 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.6 | 171.1 | -66.7 | -173.8 | -168.5 | -147.7 | 0 | 109.7 | V305 E306 | V305-K316 WeakPolarHBondContact O-CA 3.37Å; E306-K316 HydrophobicContact CG-CD 4.15Å; E306-K316 HydrophobicContact CG-CG 3.65Å; E306-K316 WeakPolarHBondContact OE1-CE 3.11Å; E306-K316 IonicContact OE1-NZ 3.07Å; E306-K316 PolarHBondContact OE1-NZ 3.49Å |
| 317 | K | 95 | Very high | 90.8 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.7 | 175.7 | -66.5 | -64.9 | 177.6 | -165.5 | 0 | 111.6 | L237 V305 F307 I315 | L237-K317 HydrophobicContact CD1-CB 3.78Å; L237-K317 HydrophobicContact CD1-CG 4.31Å; V305-K317 PolarHBondContact N-O 3.09Å; V305-K317 PolarHBondContact O-N 3.11Å; F307-K317 HydrophobicContact CD2-CB 4.3Å; F307-K317 HydrophobicContact CE2-CB 4.05Å; I315-K317 HydrophobicContact CD1-CG 4.14Å; I315-K317 HydrophobicContact CG1-CG 4.42Å |
| 318 | P | 96.9 | Very high | 90.1 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.3 | 172.2 | 26.6 | -30.9 | 0 | 0 | 0 | 110.1 | T235 R236 L237 T302 I303 | T235-P318 WeakPolarHBondContact O-CG 3.45Å; R236-P318 WeakPolarHBondContact CA-O 3.3Å; R236-P318 HydrophobicContact CB-CB 4.06Å; R236-P318 HydrophobicContact CB-CG 4.19Å; L237-P318 PolarHBondContact N-O 2.68Å; T302-P318 HydrophobicContact CG2-CB 3.54Å; I303-P318 CarbonylContact O-C 3.6Å; I303-P318 WeakPolarHBondContact O-CA 3.02Å |
| 319 | V | 96.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.2 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | L237 L270 T302 I303 V305 F307 | L237-V319 HydrophobicContact CB-CB 4.47Å; L237-V319 HydrophobicContact CB-CG1 4.47Å; L237-V319 HydrophobicContact CB-CG2 4.04Å; L237-V319 HydrophobicContact CD1-CG2 4.1Å; L237-V319 CarbonylContact O-C 3.52Å; L237-V319 WeakPolarHBondContact O-CA 3.06Å; L270-V319 HydrophobicContact CD1-CG1 4.09Å; T302-V319 WeakPolarHBondContact CA-O 3.14Å; I303-V319 HydrophobicContact CG1-CB 4.41Å; I303-V319 PolarHBondContact N-O 2.97Å; I303-V319 PolarHBondContact O-N 3.24Å; V305-V319 HydrophobicContact CB-CG2 3.73Å; V305-V319 HydrophobicContact CG2-CB 3.84Å; V305-V319 HydrophobicContact CG2-CG2 3.53Å; F307-V319 HydrophobicContact CE2-CG2 4.07Å; F307-V319 HydrophobicContact CZ-CG2 4.1Å |
| 320 | M | 96.2 | Very high | 88.7 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.7 | 175.2 | -176 | -179.4 | 77.8 | 0 | 0 | 111.4 | R236 L237 C238 P297 T300 K301 I322 | R236-M320 PolarHBondContact NH2-SD 2.05Å; L237-M320 WeakPolarHBondContact O-CB 3Å; L237-M320 PolarHBondContact O-N 3.43Å; C238-M320 HydrophobicContact CB-CB 4.09Å; C238-M320 HydrophobicContact CB-CE 3.54Å; C238-M320 HydrophobicContact CB-SD 3.92Å; P297-M320 HydrophobicContact CB-CE 4.44Å; P297-M320 HydrophobicContact CG-CE 3.96Å; T300-M320 HydrophobicContact CG2-CG 4.01Å; T300-M320 HydrophobicContact CG2-SD 3.84Å; K301-M320 CarbonylContact O-C 3.55Å; K301-M320 WeakPolarHBondContact O-CA 3.48Å; M320-I322 HydrophobicContact CE-CD1 4.04Å; M320-I322 HydrophobicContact CE-CG1 3.85Å |
| 321 | V | 94.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.7 | 169.6 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | T300 K301 I303 | T300-V321 CarbonylContact C-O 3.47Å; T300-V321 WeakPolarHBondContact CA-O 3.03Å; K301-V321 PolarHBondContact N-O 3.47Å; K301-V321 PolarHBondContact O-N 3.07Å; I303-V321 HydrophobicContact CB-CG2 4.35Å; I303-V321 HydrophobicContact CD1-CG2 3.56Å; I303-V321 HydrophobicContact CG1-CG2 3.65Å; I303-V321 HydrophobicContact CG2-CG2 3.83Å |
| 322 | I | 92 | Very high | 87.4 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.5 | 178 | -58.3 | 175.3 | 0 | 0 | 0 | 109.1 | T261 R284 P297 M320 | T261-I322 HydrophobicContact CG2-CG2 4.45Å; R284-I322 HydrophobicContact CB-CB 4.26Å; R284-I322 WeakPolarHBondContact CB-O 3.44Å; R284-I322 WeakPolarHBondContact CD-O 3.06Å; P297-I322 HydrophobicContact CB-CD1 4.4Å; P297-I322 HydrophobicContact CB-CG1 4.27Å; P297-I322 HydrophobicContact CG-CD1 3.98Å; P297-I322 HydrophobicContact CG-CG1 4.33Å; M320-I322 HydrophobicContact CE-CD1 4.04Å; M320-I322 HydrophobicContact CE-CG1 3.85Å |
| 323 | G | 88.6 | Confident | 86.5 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | trans | -89.7 | -58.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | R284 N299 | R284-G323 WeakPolarHBondContact CD-O 3.39Å; N299-G323 WeakPolarHBondContact O-CA 3.39Å; N299-G323 PolarHBondContact O-N 2.74Å | ||
| 324 | T | 86.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 61 Ų | 61 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | trans | -137.5 | 158.7 | -179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | H298 N299 | H298-T324 PolarHBondContact N-O 3.04Å; N299-T324 VanDerWaalsContact CB-OG1 3.3Å; N299-T324 WeakPolarHBondContact CB-OG1 3.48Å; N299-T324 PolarHBondContact N-O 2.86Å; N299-T324 PolarHBondContact N-OG1 3.41Å; N299-T324 PolarHBondContact O-N 2.86Å | ||
| 325 | C | 87.4 | Confident | 82 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 154.4 | 174.7 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | T261 C286 T296 | T261-C325 HydrophobicContact CG2-CB 4.27Å; T261-C325 VanDerWaalsContact CG2-SG 3.5Å; C286-C325 WeakPolarHBondContact CA-SG 3.36Å; C286-C325 HydrophobicContact CB-CB 3.84Å; C286-C325 WeakPolarHBondContact CB-SG 3.49Å; C286-C325 WeakPolarHBondContact SG-CB 3.39Å; C286-C325 CovalentContact SG-SG 2.04Å; C286-C325 PolarHBondContact SG-SG 3.4Å; T296-C325 CarbonylContact O-C 3.56Å; T296-C325 WeakPolarHBondContact O-CA 3.44Å; T296-C325 WeakPolarHBondContact O-CB 3.32Å |
| 326 | T | 85.9 | Confident | 79.5 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.5 | 177.6 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | C295 T296 H298 | C295-T326 VanDerWaalsContact CA-O 3.29Å; C295-T326 WeakPolarHBondContact CA-O 3.41Å; T296-T326 PolarHBondContact N-O 2.88Å; T296-T326 PolarHBondContact O-N 3.12Å; H298-T326 HydrophobicContact CB-CG2 4.05Å |
| 327 | C | 84.2 | Confident | 76.6 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.7 | 174 | -72.3 | 0 | 0 | 0 | 0 | 110.6 | C258 C289 R293 C294 | C258-C327 HydrophobicContact CB-CB 4.33Å; C258-C327 WeakPolarHBondContact CB-SG 3.39Å; C258-C327 PolarHBondContact SG-SG 3.14Å; C289-C327 HydrophobicContact CB-CB 4.15Å; C289-C327 WeakPolarHBondContact CB-SG 3.48Å; C289-C327 WeakPolarHBondContact SG-CB 3.21Å; C289-C327 CovalentContact SG-SG 2.01Å; C289-C327 PolarHBondContact SG-SG 2.87Å; R293-C327 HydrophobicContact CB-CB 4.07Å; R293-C327 PolarHBondContact NH1-O 3.41Å; C294-C327 VanDerWaalsContact O-CA 3.31Å; C294-C327 WeakPolarHBondContact O-CA 3.48Å |
| 328 | H | 81 | Confident | 73.6 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 21% | 0.208 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160.9 | 173.5 | 59.6 | 90.6 | 0 | 0 | 0 | 111 | R293 C294 T296 N330 | R293-H328 WeakPolarHBondContact CB-O 3.34Å; C294-H328 PolarHBondContact N-O 2.96Å; C294-H328 VanDerWaalsContact N-O 3.16Å; C294-H328 PolarHBondContact O-N 3.38Å; C294-H328 PolarHBondContact SG-CE1 3.44Å; C294-H328 PolarHBondContact SG-O 2.98Å; T296-H328 WeakPolarHBondContact CG2-NE2 3.4Å; T296-H328 PolarHBondContact OG1-CD2 3.46Å; T296-H328 VanDerWaalsContact OG1-CD2 3.24Å; T296-H328 PolarHBondContact OG1-NE2 2.92Å; H328-N330 PolarHBondContact CE1-O 2.9Å; H328-N330 PolarHBondContact ND1-O 3.42Å |
| 329 | S | 81.4 | Confident | 70.7 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -86.3 | -21 | -178.7 | -50.1 | 0 | 0 | 0 | 0 | 113 | C331 | S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.41Å |
| 330 | N | 77.6 | Confident | 67.8 | Low | 111 Ų | 111 | 84.8 Ų | 84.8 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | trans | -81.1 | 77.5 | -179.7 | -173.1 | 14.2 | 0 | 0 | 0 | 111.4 | H328 | H328-N330 PolarHBondContact CE1-O 2.9Å; H328-N330 PolarHBondContact ND1-O 3.42Å | ||
| 331 | C | 75.6 | Confident | 64.9 | Low | 52 Ų | 52 | 92.3 Ų | 92.3 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 137.5 | -174.8 | -59.1 | 0 | 0 | 0 | 0 | 112 | C294 S329 Q333 | C294-C331 HydrophobicContact CB-CB 3.9Å; C294-C331 WeakPolarHBondContact CB-SG 3.45Å; C294-C331 PolarHBondContact N-SG 3.08Å; C294-C331 VanDerWaalsContact N-SG 3.4Å; C294-C331 WeakPolarHBondContact SG-CA 3.45Å; C294-C331 WeakPolarHBondContact SG-CB 3.45Å; C294-C331 CovalentContact SG-SG 2.05Å; C294-C331 PolarHBondContact SG-SG 2.92Å; S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.41Å; C331-Q333 PolarHBondContact O-N 3.02Å; C331-Q333 VanDerWaalsContact O-N 3.1Å |
| 332 | P | 66.3 | Low | 62.3 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -58 | 120.5 | 178.6 | 22 | -30.5 | 0 | 0 | 0 | 109 | N334 | P332-N334 PolarHBondContact O-N 3.29Š|
| 333 | Q | 58.8 | Low | 59.3 | Low | 176 Ų | 176 | 105.3 Ų | 105.3 | 82% | 0.822 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.4 | 174.8 | -67.2 | -163.5 | -7.9 | 0 | 0 | 108.7 | C331 N335 | C331-Q333 PolarHBondContact O-N 3.02Å; C331-Q333 VanDerWaalsContact O-N 3.1Å; Q333-N335 PolarHBondContact O-N 3.42Å |
| 334 | N | 48.1 | Very low | 56.8 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | trans | -68.1 | 99.9 | -176.9 | -145.5 | 25.8 | 0 | 0 | 0 | 108.1 | P332 E336 | P332-N334 PolarHBondContact O-N 3.29Å; N334-E336 PolarHBondContact O-N 3.27Å | ||
| 335 | N | 41.6 | Very low | 54.2 | Low | 128 Ų | 128 | 116.8 Ų | 116.8 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | trans | -72.8 | 58.5 | 175.7 | -86.8 | -3.9 | 0 | 0 | 0 | 111.2 | Q333 | Q333-N335 PolarHBondContact O-N 3.42Š| ||
| 336 | E | 39.9 | Very low | 51.6 | Low | 158 Ų | 158 | 121 Ų | 121 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | trans | -78.7 | -6.3 | 165.6 | -69 | -157.4 | 161.1 | 0 | 0 | 112.3 | N334 | N334-E336 PolarHBondContact O-N 3.27Š| ||
| 337 | A | 35.2 | Very low | 49.3 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -87.6 | -9.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 338 | F | 31.9 | Very low | 47 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -106.5 | -0.8 | -170.7 | -157 | -99.1 | 0 | 0 | 0 | 115.1 | ||
| 339 | L | 36.4 | Very low | 45 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -102.9 | 3 | -178.6 | -73.3 | 172.8 | 0 | 0 | 0 | 114.5 | ||
| 340 | Q | 34.4 | Very low | 42.7 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -85.6 | -5.3 | 176.3 | -101.3 | 171.9 | -8.6 | 0 | 0 | 114.6 | ||
| 341 | E | 35.8 | Very low | 40.8 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -103.6 | 10.6 | -172.8 | -145 | 159.9 | -177.8 | 0 | 0 | 114.6 | ||
| 342 | L | 39.5 | Very low | 39 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -125.2 | 18.1 | 180 | -74.1 | 171.5 | 0 | 0 | 0 | 115 | P344 | L342-P344 WeakPolarHBondContact O-CD 3.44Š| ||
| 343 | E | 29.7 | Very low | 37.6 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -89.3 | 113.8 | 163.8 | -68 | -158.9 | 151.6 | 0 | 0 | 110.1 | K345 | E343-K345 PolarHBondContact O-N 3.28Š| ||
| 344 | P | 35 | Very low | 36.4 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 127.5 | 171.2 | -8.6 | 24.1 | 0 | 0 | 0 | 108.3 | L342 S346 | L342-P344 WeakPolarHBondContact O-CD 3.44Å; P344-S346 VanDerWaalsContact C-N 3.35Å; P344-S346 PolarHBondContact O-N 3.06Å | ||
| 345 | K | 32.3 | Very low | 35.7 | Very low | 210 Ų | 210 | 154.5 Ų | 154.5 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -58.1 | 99.2 | 167 | -77.5 | -178.6 | 177.1 | 176.8 | 0 | 108.7 | E343 S347 | E343-K345 PolarHBondContact O-N 3.28Å; K345-S347 PolarHBondContact O-N 3.4Å; K345-S347 VanDerWaalsContact O-N 3.08Å | ||
| 346 | S | 33.7 | Very low | 35.3 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -65.2 | 103.7 | 163.2 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | P344 R348 | P344-S346 VanDerWaalsContact C-N 3.35Å; P344-S346 PolarHBondContact O-N 3.06Å; S346-R348 PolarHBondContact O-N 3.42Å | ||
| 347 | S | 36.3 | Very low | 35 | Very low | 116 Ų | 116 | 156 Ų | 156 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -60.7 | 104.5 | 167.7 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | K345 G349 | K345-S347 PolarHBondContact O-N 3.4Å; K345-S347 VanDerWaalsContact O-N 3.08Å; S347-G349 PolarHBondContact O-N 3.48Å | ||
| 348 | R | 36.6 | Very low | 35 | Very low | 216 Ų | 216 | 160.6 Ų | 160.6 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | trans | -80.8 | 107.7 | 164.4 | -150.6 | 176.7 | -154.6 | 166.5 | 3.4 | 106.5 | S346 | S346-R348 PolarHBondContact O-N 3.42Š| ||
| 349 | G | 37.8 | Very low | 35.3 | Very low | 69 Ų | 69 | 160.6 Ų | 160.6 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -68.7 | 140.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S347 | S347-G349 PolarHBondContact O-N 3.48Š| ||
| 350 | E | 33.8 | Very low | 35.2 | Very low | 162 Ų | 162 | 162.3 Ų | 162.3 | 76% | 0.757 | 84% | 0.844 | S | S | * | * | trans | -152.9 | 122.2 | 159.8 | -112.9 | 167.9 | 177.1 | 0 | 0 | 108.1 | ||||
| 351 | M | 37 | Very low | 35.2 | Very low | 264 Ų | 264 | 160.7 Ų | 160.7 | 100% | 1.3 | 84% | 0.844 | S | S | * | * | trans | 44.1 | 0 | 156.6 | -115.4 | 77.1 | 170.2 | 0 | 0 | 120.6 |
Retrieved 351 of 351 residues in 52.5 ms
(Link to these results)