| 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 | 40.6 | Very low | 47.6 | Very low | 235 Ų | 235 | 140.9 Ų | 140.9 | 100% | 1.158 | 66% | 0.659 | S | S | * | * | 0 | 66.1 | 0 | -64.3 | -73.5 | -164 | 0 | 0 | 111.3 | |||||
| 2 | N | 36.4 | Very low | 48.5 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 56% | 0.561 | 64% | 0.643 | S | S | * | * | cis | -136.1 | 122.7 | 0.8 | -121.6 | 6.4 | 0 | 0 | 0 | 109.7 | L4 Y5 | N2-L4 HydrophobicContact CB-CB 3.78Å; N2-L4 PolarHBondContact O-N 2.82Å; N2-Y5 PolarHBondContact O-N 3.06Å | ||
| 3 | Y | 39.4 | Very low | 48.5 | Very low | 226 Ų | 226 | 133.8 Ų | 133.8 | 89% | 0.886 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 40.9 | 174.5 | -150.4 | -94.4 | 0 | 0 | 0 | 110.3 | ||
| 4 | L | 44.4 | Very low | 49.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | -17.3 | -150.2 | -104.4 | 162.9 | 0 | 0 | 0 | 111.1 | N2 | N2-L4 HydrophobicContact CB-CB 3.78Å; N2-L4 PolarHBondContact O-N 2.82Å |
| 5 | Y | 44.9 | Very low | 49.6 | Very low | 148 Ų | 148 | 130 Ų | 130 | 58% | 0.58 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -92 | -26.6 | 171.5 | -126.8 | -114.2 | 0 | 0 | 0 | 112.6 | N2 Y8 Y9 | N2-Y5 PolarHBondContact O-N 3.06Å; Y5-Y8 WeakPolarHBondContact O-CB 3.48Å; Y5-Y8 PolarHBondContact O-N 3.34Å; Y5-Y9 HydrophobicContact CD1-CD2 4.32Å; Y5-Y9 HydrophobicContact CD1-CE2 4.08Å; Y5-Y9 HydrophobicContact CE1-CD2 4.43Å; Y5-Y9 AromaticContact CE1-CE2 3.74Å; Y5-Y9 HydrophobicContact CE1-CE2 3.74Å |
| 6 | S | 47.9 | Very low | 50.4 | Low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.9 | -41.4 | 177.7 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | Y8 Q10 | S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 2.8Å; S6-Q10 PolarHBondContact O-N 3.2Å |
| 7 | H | 53.2 | Low | 50.9 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -25.9 | 173.2 | -93.7 | -88.4 | 0 | 0 | 0 | 113.6 | L11 | H7-L11 WeakPolarHBondContact O-CB 3.43Å; H7-L11 PolarHBondContact O-N 3.05Å |
| 8 | Y | 61.3 | Low | 51.2 | Low | 107 Ų | 107 | 129.2 Ų | 129.2 | 42% | 0.42 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.4 | -38.7 | -173.8 | -178.2 | -118.4 | 0 | 0 | 0 | 112.8 | Y5 S6 K12 | Y5-Y8 WeakPolarHBondContact O-CB 3.48Å; Y5-Y8 PolarHBondContact O-N 3.34Å; S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 2.8Å; Y8-K12 HydrophobicContact CE2-CD 4.39Å; Y8-K12 PolarHBondContact O-N 3.22Å; Y8-K12 PolarHBondContact OH-NZ 3.25Å |
| 9 | Y | 51.3 | Low | 51.6 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -85.5 | -30.9 | 178.7 | -81.3 | -83.6 | 0 | 0 | 0 | 113.9 | Y5 K12 L13 | Y5-Y9 HydrophobicContact CD1-CD2 4.32Å; Y5-Y9 HydrophobicContact CD1-CE2 4.08Å; Y5-Y9 HydrophobicContact CE1-CD2 4.43Å; Y5-Y9 AromaticContact CE1-CE2 3.74Å; Y5-Y9 HydrophobicContact CE1-CE2 3.74Å; Y9-K12 PolarHBondContact O-N 3.12Å; Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.12Å |
| 10 | Q | 52.3 | Low | 51.6 | Low | 118 Ų | 118 | 129.8 Ų | 129.8 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 171.6 | -75.1 | -68.1 | -9.3 | 0 | 0 | 111.5 | S6 L13 I14 | S6-Q10 PolarHBondContact O-N 3.2Å; Q10-L13 PolarHBondContact O-N 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 3.16Å; Q10-I14 PolarHBondContact O-N 2.79Å |
| 11 | L | 52.6 | Low | 51.8 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -39.6 | 177.4 | -146.9 | 74.6 | 0 | 0 | 0 | 112.3 | H7 L15 | H7-L11 WeakPolarHBondContact O-CB 3.43Å; H7-L11 PolarHBondContact O-N 3.05Å; L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.74Å |
| 12 | K | 57.4 | Low | 52.1 | Low | 108 Ų | 108 | 123.9 Ų | 123.9 | 47% | 0.47 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -34 | 174.9 | -85.1 | -174.6 | 165.1 | -179.3 | 0 | 113.7 | Y8 Y9 L15 W16 | Y8-K12 HydrophobicContact CE2-CD 4.39Å; Y8-K12 PolarHBondContact O-N 3.22Å; Y8-K12 PolarHBondContact OH-NZ 3.25Å; Y9-K12 PolarHBondContact O-N 3.12Å; K12-L15 PolarHBondContact O-N 3.34Å; K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.46Å |
| 13 | L | 49.1 | Very low | 52.6 | Low | 82 Ų | 82 | 123.7 Ų | 123.7 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.9 | -38 | 177.2 | -171.6 | 61.5 | 0 | 0 | 0 | 111.5 | Y9 Q10 W16 I17 | Y9-L13 VanDerWaalsContact O-CB 3.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 3.12Å; Q10-L13 PolarHBondContact O-N 3.31Å; L13-W16 HydrophobicContact CD1-CE3 4.09Å; L13-W16 PolarHBondContact O-N 2.74Å; L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 2.77Å |
| 14 | I | 60.2 | Low | 52.6 | Low | 91 Ų | 91 | 118.5 Ų | 118.5 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.5 | -45 | 170.9 | -69.8 | 168.8 | 0 | 0 | 0 | 110.7 | Q10 W16 I17 F18 | Q10-I14 WeakPolarHBondContact O-CG1 3.16Å; Q10-I14 PolarHBondContact O-N 2.79Å; I14-W16 VanDerWaalsContact C-N 3.31Å; I14-W16 PolarHBondContact O-N 2.84Å; I14-I17 PolarHBondContact O-N 3.49Å; I14-F18 HydrophobicContact CG2-CD2 4.27Å; I14-F18 PolarHBondContact O-N 2.91Å |
| 15 | L | 53.9 | Low | 52.6 | Low | 119 Ų | 119 | 117.6 Ų | 117.6 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -29.9 | 175.3 | -85.6 | 159.4 | 0 | 0 | 0 | 113.6 | L11 K12 Y19 | L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.74Å; K12-L15 PolarHBondContact O-N 3.34Å; L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 PolarHBondContact O-N 2.7Å |
| 16 | W | 61.7 | Low | 52.3 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 56% | 0.564 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -80.9 | -37.9 | 176.4 | -171 | 73.9 | 0 | 0 | 0 | 112.9 | K12 L13 I14 Y19 W20 | K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.46Å; L13-W16 HydrophobicContact CD1-CE3 4.09Å; L13-W16 PolarHBondContact O-N 2.74Å; I14-W16 VanDerWaalsContact C-N 3.31Å; I14-W16 PolarHBondContact O-N 2.84Å; W16-Y19 PolarHBondContact O-N 3.32Å; W16-W20 AromaticContact CE2-CD1 3.69Å; W16-W20 AromaticContact CE2-NE1 3.84Å; W16-W20 AromaticContact NE1-CD1 3.6Å; W16-W20 AromaticContact NE1-NE1 3.56Å; W16-W20 PolarHBondContact O-N 3.27Å |
| 17 | I | 59.7 | Low | 51.6 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.8 | -44.2 | 176.4 | -70.4 | 171.3 | 0 | 0 | 0 | 110.4 | L13 I14 Y19 W20 V21 | L13-I17 HydrophobicContact CD1-CD1 4.14Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.05Å; L13-I17 PolarHBondContact O-N 2.77Å; I14-I17 PolarHBondContact O-N 3.49Å; I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.15Å; I17-W20 PolarHBondContact O-N 3.37Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CB 3.21Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 2.99Å |
| 18 | F | 56.3 | Low | 50.4 | Low | 141 Ų | 141 | 118.4 Ų | 118.4 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.2 | -42.8 | 171.4 | -102.6 | -87 | 0 | 0 | 0 | 111.7 | I14 W20 V21 L22 | I14-F18 HydrophobicContact CG2-CD2 4.27Å; I14-F18 PolarHBondContact O-N 2.91Å; F18-W20 VanDerWaalsContact C-N 3.35Å; F18-W20 PolarHBondContact O-N 2.85Å; F18-V21 PolarHBondContact O-N 3.27Å; F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.92Å |
| 19 | Y | 57.3 | Low | 49.1 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.2 | -31.4 | -179.3 | -174.5 | -101.4 | 0 | 0 | 0 | 114 | L15 W16 I17 L23 | L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.26Å; L15-Y19 PolarHBondContact O-N 2.7Å; W16-Y19 PolarHBondContact O-N 3.32Å; I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.15Å; Y19-L23 HydrophobicContact CE1-CD1 4.43Å |
| 20 | W | 52.2 | Low | 48 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -89.2 | -30 | 175.9 | -88.6 | 83.1 | 0 | 0 | 0 | 114.4 | W16 I17 F18 L22 L23 L24 | W16-W20 AromaticContact CE2-CD1 3.69Å; W16-W20 AromaticContact CE2-NE1 3.84Å; W16-W20 AromaticContact NE1-CD1 3.6Å; W16-W20 AromaticContact NE1-NE1 3.56Å; W16-W20 PolarHBondContact O-N 3.27Å; I17-W20 PolarHBondContact O-N 3.37Å; F18-W20 VanDerWaalsContact C-N 3.35Å; F18-W20 PolarHBondContact O-N 2.85Å; W20-L22 PolarHBondContact O-N 2.87Å; W20-L23 PolarHBondContact O-N 3.4Å; W20-L23 VanDerWaalsContact O-N 3.15Å; W20-L24 HydrophobicContact CE3-CB 4.09Å; W20-L24 HydrophobicContact CE3-CD1 4.16Å; W20-L24 HydrophobicContact CH2-CD1 3.82Å; W20-L24 HydrophobicContact CZ3-CB 3.95Å; W20-L24 HydrophobicContact CZ3-CD1 3.43Å; W20-L24 VanDerWaalsContact CZ3-CD1 3.43Å; W20-L24 HydrophobicContact CZ3-CG 4.33Å; W20-L24 PolarHBondContact O-N 2.72Å |
| 21 | V | 56.7 | Low | 47.5 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.4 | -31.8 | 168.9 | 169.5 | 0 | 0 | 0 | 0 | 111 | I17 F18 L23 | I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CB 3.21Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 2.99Å; F18-V21 PolarHBondContact O-N 3.27Å; V21-L23 PolarHBondContact O-N 3.06Å |
| 22 | L | 45.7 | Very low | 47.2 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 3.7 | 172.1 | -103 | 150.8 | 0 | 0 | 0 | 115.1 | F18 W20 | F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.92Å; W20-L22 PolarHBondContact O-N 2.87Å |
| 23 | L | 47.4 | Very low | 47.4 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 53% | 0.534 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.2 | -57.7 | -168 | -109.1 | 164.4 | 0 | 0 | 0 | 116.5 | Y19 W20 V21 | Y19-L23 HydrophobicContact CE1-CD1 4.43Å; W20-L23 PolarHBondContact O-N 3.4Å; W20-L23 VanDerWaalsContact O-N 3.15Å; V21-L23 PolarHBondContact O-N 3.06Å |
| 24 | L | 39.1 | Very low | 48.8 | Very low | 116 Ų | 116 | 121 Ų | 121 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | trans | -138.2 | 8.1 | -151.2 | -82.2 | 167.2 | 0 | 0 | 0 | 119.1 | W20 | W20-L24 HydrophobicContact CE3-CB 4.09Å; W20-L24 HydrophobicContact CE3-CD1 4.16Å; W20-L24 HydrophobicContact CH2-CD1 3.82Å; W20-L24 HydrophobicContact CZ3-CB 3.95Å; W20-L24 HydrophobicContact CZ3-CD1 3.43Å; W20-L24 VanDerWaalsContact CZ3-CD1 3.43Å; W20-L24 HydrophobicContact CZ3-CG 4.33Å; W20-L24 PolarHBondContact O-N 2.72Å | ||
| 25 | S | 45.5 | Very low | 49.9 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | trans | -122.5 | 117.4 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 26 | G | 38.5 | Very low | 51.6 | Low | 67 Ų | 67 | 115.2 Ų | 115.2 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | cis | -173.9 | 147.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C28 | G26-C28 PolarHBondContact O-N 2.83Š| ||
| 27 | K | 33.3 | Very low | 53 | Low | 209 Ų | 209 | 116.4 Ų | 116.4 | 91% | 0.909 | 62% | 0.617 | S | S | * | * | trans | -78.5 | 108.6 | -176.5 | -63.1 | -179.8 | -179.9 | -179.6 | 0 | 111.3 | L29 | K27-L29 PolarHBondContact O-N 2.83Š| ||
| 28 | C | 27.1 | Very low | 54.5 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 87% | 0.865 | 60% | 0.603 | S | S | * | * | trans | -77.1 | 109.5 | 160.6 | -74.2 | 0 | 0 | 0 | 0 | 109.3 | G26 A30 | G26-C28 PolarHBondContact O-N 2.83Å; C28-A30 PolarHBondContact O-N 2.82Å | ||
| 29 | L | 32.9 | Very low | 56.1 | Low | 179 Ų | 179 | 114.6 Ų | 114.6 | 94% | 0.937 | 60% | 0.603 | S | S | * | * | trans | -73.7 | 117.1 | 167.5 | -85.8 | 149.8 | 0 | 0 | 0 | 109 | K27 | K27-L29 PolarHBondContact O-N 2.83Š| ||
| 30 | A | 29.5 | Very low | 57.7 | Low | 90 Ų | 90 | 108 Ų | 108 | 74% | 0.744 | 58% | 0.577 | S | S | * | * | trans | -125.1 | 121.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C28 | C28-A30 PolarHBondContact O-N 2.82Š| ||
| 31 | V | 40.6 | Very low | 59.5 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 86% | 0.855 | 58% | 0.579 | S | S | * | * | trans | 3.2 | 129.9 | 159.8 | -169.7 | 0 | 0 | 0 | 0 | 117.6 | E33 | V31-E33 PolarHBondContact O-N 3.13Š| ||
| 32 | D | 47.7 | Very low | 61.1 | Low | 168 Ų | 168 | 104 Ų | 104 | 90% | 0.898 | 55% | 0.552 | S | S | * | * | trans | -50.6 | 126.7 | 172.5 | -73.4 | -44.4 | 0 | 0 | 0 | 112.6 | ||||
| 33 | E | 60.5 | Low | 63.2 | Low | 95 Ų | 95 | 101.2 Ų | 101.2 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | trans | -93 | 142.7 | -179.7 | -171.1 | 164.4 | -143.1 | 0 | 0 | 111.3 | V31 E35 S126 L128 | V31-E33 PolarHBondContact O-N 3.13Å; E33-E35 PolarHBondContact O-N 2.86Å; E33-S126 VanDerWaalsContact OE1-CB 3.3Å; E33-S126 WeakPolarHBondContact OE1-CB 3.43Å; E33-S126 PolarHBondContact OE1-OG 3.21Å; E33-L128 HydrophobicContact CG-CB 3.91Å | ||
| 34 | I | 78.2 | Confident | 65.1 | Low | 50 Ų | 50 | 98.7 Ų | 98.7 | 26% | 0.256 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 112.7 | -179.4 | -58.3 | 176.7 | 0 | 0 | 0 | 108.7 | L57 A125 V127 L128 | I34-L57 HydrophobicContact CD1-CD2 4.43Å; I34-A125 HydrophobicContact CD1-CB 4.21Å; I34-V127 HydrophobicContact CB-CG2 4.11Å; I34-V127 HydrophobicContact CG2-CG1 4.21Å; I34-V127 HydrophobicContact CG2-CG2 4.08Å; I34-V127 CarbonylContact O-C 3.53Å; I34-V127 WeakPolarHBondContact O-CA 3.11Å; I34-V127 VanDerWaalsContact O-CG1 3.29Å; I34-V127 WeakPolarHBondContact O-CG1 3.43Å; I34-L128 PolarHBondContact O-N 3.01Å |
| 35 | E | 84.2 | Confident | 67.5 | Low | 77 Ų | 77 | 95.9 Ų | 95.9 | 36% | 0.36 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.7 | -177 | -167.3 | 170.4 | 121.5 | 0 | 0 | 112.7 | E33 R37 K130 | E33-E35 PolarHBondContact O-N 2.86Å; E35-R37 HydrophobicContact CG-CG 4.49Å; E35-R37 IonicContact OE1-CZ 3.17Å; E35-R37 IonicContact OE1-NE 2.74Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 2.74Å; E35-R37 PolarHBondContact OE1-NH2 3.26Å; E35-K130 HydrophobicContact CG-CD 3.87Å; E35-K130 IonicContact OE1-NZ 3.1Å; E35-K130 PolarHBondContact OE1-NZ 2.7Å; E35-K130 WeakPolarHBondContact OE2-CE 3.32Å; E35-K130 IonicContact OE2-NZ 3.19Å; E35-K130 PolarHBondContact OE2-NZ 2.74Å |
| 36 | L | 89.3 | Confident | 69.5 | Low | 12 Ų | 12 | 94.3 Ų | 94.3 | 6% | 0.063 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 112.9 | 173 | 172 | 58.2 | 0 | 0 | 0 | 109.7 | L38 V53 I83 V127 L128 L129 K130 | L36-L38 HydrophobicContact CD1-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.4Å; L36-V53 HydrophobicContact CD2-CB 4.32Å; L36-V53 HydrophobicContact CD2-CG2 4.25Å; L36-I83 HydrophobicContact CD2-CD1 3.54Å; L36-V127 HydrophobicContact CB-CG1 3.79Å; L36-L128 PolarHBondContact N-O 3.25Å; L36-L129 HydrophobicContact CD2-CD1 4.21Å; L36-L129 HydrophobicContact CG-CD1 4.12Å; L36-L129 WeakPolarHBondContact O-CA 3.4Å; L36-K130 PolarHBondContact O-N 3.42Å |
| 37 | R | 90.8 | Very high | 71.9 | Confident | 174 Ų | 174 | 95 Ų | 95 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.4 | 173.6 | -60.4 | -171.7 | -171.4 | -169.4 | 1.4 | 111.1 | E35 K130 | E35-R37 HydrophobicContact CG-CG 4.49Å; E35-R37 IonicContact OE1-CZ 3.17Å; E35-R37 IonicContact OE1-NE 2.74Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 2.74Å; E35-R37 PolarHBondContact OE1-NH2 3.26Å; R37-K130 CarbonylContact C-O 3.46Å; R37-K130 WeakPolarHBondContact CA-O 3.25Å; R37-K130 HydrophobicContact CG-CB 4.3Å |
| 38 | L | 91.6 | Very high | 74.6 | Confident | 29 Ų | 29 | 88 Ų | 88 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.1 | 168.7 | -61.3 | -179.7 | 0 | 0 | 0 | 109.8 | L36 I50 I83 L129 K130 V131 E132 | L36-L38 HydrophobicContact CD1-CD2 4.24Å; L36-L38 HydrophobicContact CG-CG 4.4Å; L38-I50 HydrophobicContact CB-CG2 3.99Å; L38-I50 HydrophobicContact CD1-CB 4.17Å; L38-I50 HydrophobicContact CD1-CG2 3.79Å; L38-I50 HydrophobicContact CG-CG2 4.49Å; L38-I83 HydrophobicContact CD1-CB 4.36Å; L38-I83 HydrophobicContact CD1-CD1 3.91Å; L38-I83 HydrophobicContact CD1-CG2 4.24Å; L38-L129 HydrophobicContact CB-CD1 4.49Å; L38-L129 HydrophobicContact CD1-CD1 3.79Å; L38-L129 HydrophobicContact CG-CD1 3.99Å; L38-K130 PolarHBondContact N-O 2.73Å; L38-V131 HydrophobicContact CB-CG1 4.43Å; L38-V131 HydrophobicContact CB-CG2 4.4Å; L38-V131 WeakPolarHBondContact O-CA 2.93Å; L38-E132 PolarHBondContact O-N 3.2Å |
| 39 | R | 90.9 | Very high | 77.7 | Confident | 160 Ų | 160 | 89.1 Ų | 89.1 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.3 | 173.5 | -63.5 | -171.3 | 156.1 | -173.8 | -17.4 | 109.5 | E132 | R39-E132 WeakPolarHBondContact CA-O 3.41Å; R39-E132 HydrophobicContact CG-CB 4.2Å; R39-E132 IonicContact CZ-OE1 3.62Å; R39-E132 IonicContact CZ-OE2 3.96Å; R39-E132 IonicContact NE-OE1 3.8Å; R39-E132 IonicContact NE-OE2 2.73Å; R39-E132 PolarHBondContact NE-OE2 3.45Å; R39-E132 IonicContact NH2-OE1 2.79Å; R39-E132 PolarHBondContact NH2-OE1 3.18Å; R39-E132 IonicContact NH2-OE2 3.6Å; R39-E132 PolarHBondContact NH2-OE2 2.72Å |
| 40 | M | 90.3 | Very high | 80.4 | Confident | 11 Ų | 11 | 82.1 Ų | 82.1 | 5% | 0.054 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160 | 168.1 | 68.3 | -179.9 | -83.9 | 0 | 0 | 110.1 | I44 I50 F74 V85 I89 V131 E132 I133 Q134 | M40-I44 HydrophobicContact CB-CD1 4.26Å; M40-I44 HydrophobicContact CE-CB 4.03Å; M40-I44 HydrophobicContact CE-CD1 4.47Å; M40-I50 HydrophobicContact CB-CG2 4.33Å; M40-I50 HydrophobicContact SD-CD1 3.77Å; M40-I50 HydrophobicContact SD-CG1 4.46Å; M40-F74 HydrophobicContact SD-CE1 3.93Å; M40-V85 HydrophobicContact CE-CG2 3.79Å; M40-V85 HydrophobicContact SD-CG2 4.31Å; M40-I89 HydrophobicContact CE-CD1 3.77Å; M40-I89 HydrophobicContact SD-CD1 3.94Å; M40-V131 HydrophobicContact CB-CG1 4.35Å; M40-V131 HydrophobicContact CG-CG1 3.66Å; M40-V131 HydrophobicContact SD-CG1 3.96Å; M40-E132 PolarHBondContact N-O 2.71Å; M40-I133 HydrophobicContact CG-CD1 3.51Å; M40-I133 CarbonylContact O-C 3.58Å; M40-I133 WeakPolarHBondContact O-CA 3.43Å; M40-I133 HydrophobicContact SD-CD1 3.9Å; M40-Q134 PolarHBondContact O-N 2.87Å |
| 41 | R | 90.6 | Very high | 83.3 | Confident | 131 Ų | 131 | 78.5 Ų | 78.5 | 49% | 0.494 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 158.7 | 163.5 | -62.4 | 161.4 | 178.1 | -139 | 5.8 | 109.3 | I44 Q134 Q136 | R41-I44 HydrophobicContact CB-CD1 4Å; R41-I44 HydrophobicContact CB-CG1 4.25Å; R41-I44 WeakPolarHBondContact O-CD1 3.41Å; R41-I44 WeakPolarHBondContact O-CG1 3.19Å; R41-Q134 HydrophobicContact CG-CB 4.23Å; R41-Q136 HydrophobicContact CB-CG 4.13Å; R41-Q136 HydrophobicContact CG-CG 4.47Å |
| 42 | E | 90.2 | Very high | 85.5 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 2% | 0.023 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 174 | 164.6 | 67.1 | -168 | 111 | 0 | 0 | 113.2 | I44 I89 R91 I133 Q134 D135 Q136 | E42-I44 PolarHBondContact O-N 3.23Å; E42-I89 WeakPolarHBondContact CA-O 3.27Å; E42-I89 VanDerWaalsContact CB-O 3.29Å; E42-I89 WeakPolarHBondContact CB-O 3.15Å; E42-R91 HydrophobicContact CB-CB 4.19Å; E42-R91 HydrophobicContact CG-CB 4.47Å; E42-R91 WeakPolarHBondContact OE1-CB 3.24Å; E42-R91 WeakPolarHBondContact OE1-CD 3.29Å; E42-R91 IonicContact OE1-NE 2.72Å; E42-R91 PolarHBondContact OE1-NE 2.86Å; E42-R91 WeakPolarHBondContact OE2-CA 3.29Å; E42-R91 WeakPolarHBondContact OE2-CB 3.44Å; E42-R91 PolarHBondContact OE2-N 2.79Å; E42-I133 HydrophobicContact CB-CG2 3.87Å; E42-Q134 PolarHBondContact N-O 2.92Å; E42-D135 WeakPolarHBondContact OE1-CA 3.27Å; E42-Q136 HydrophobicContact CG-CB 4.18Å; E42-Q136 HydrophobicContact CG-CG 3.96Å; E42-Q136 PolarHBondContact OE1-N 2.88Å |
| 43 | E | 88.2 | Confident | 87.4 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 12.3 | -179.7 | -68.2 | -58.3 | 100.8 | 0 | 0 | 116.3 | A45 L88 I89 | E43-A45 PolarHBondContact O-N 3.25Å; E43-L88 VanDerWaalsContact OE1-CG 3.25Å; E43-L88 WeakPolarHBondContact OE1-CG 3.28Å; E43-L88 WeakPolarHBondContact OE2-CD2 3.4Å; E43-I89 PolarHBondContact N-O 2.83Å |
| 44 | I | 88.2 | Confident | 88.4 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 127 | 172.8 | -68.5 | -177.2 | 0 | 0 | 0 | 109.9 | M40 R41 E42 T48 V85 | M40-I44 HydrophobicContact CB-CD1 4.26Å; M40-I44 HydrophobicContact CE-CB 4.03Å; M40-I44 HydrophobicContact CE-CD1 4.47Å; R41-I44 HydrophobicContact CB-CD1 4Å; R41-I44 HydrophobicContact CB-CG1 4.25Å; R41-I44 WeakPolarHBondContact O-CD1 3.41Å; R41-I44 WeakPolarHBondContact O-CG1 3.19Å; E42-I44 PolarHBondContact O-N 3.23Å; I44-T48 HydrophobicContact CG2-CG2 3.59Å; I44-V85 HydrophobicContact CG2-CG2 3.99Å |
| 45 | A | 89 | Confident | 88.3 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 141.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E43 T48 | E43-A45 PolarHBondContact O-N 3.25Å; A45-T48 VanDerWaalsContact O-CB 3.24Å; A45-T48 WeakPolarHBondContact O-CB 3.18Å; A45-T48 PolarHBondContact O-N 2.94Å; A45-T48 PolarHBondContact O-OG1 2.87Å |
| 46 | P | 87.7 | Confident | 88.1 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 154.7 | 174.7 | -27.5 | 35.2 | 0 | 0 | 0 | 114.1 | T48 | P46-T48 PolarHBondContact O-N 3.07Š|
| 47 | S | 88.2 | Confident | 87.5 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -4.9 | -172.7 | -53.3 | 0 | 0 | 0 | 0 | 116.7 | R84 V85 | S47-R84 PolarHBondContact O-NH1 2.92Å; S47-V85 WeakPolarHBondContact CA-O 3.07Å; S47-V85 PolarHBondContact N-O 3.35Å |
| 48 | T | 91.7 | Very high | 86.6 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | trans | -62.8 | 138.6 | 173.7 | -59 | 0 | 0 | 0 | 0 | 111.3 | I44 A45 P46 R84 V85 | I44-T48 HydrophobicContact CG2-CG2 3.59Å; A45-T48 VanDerWaalsContact O-CB 3.24Å; A45-T48 WeakPolarHBondContact O-CB 3.18Å; A45-T48 PolarHBondContact O-N 2.94Å; A45-T48 PolarHBondContact O-OG1 2.87Å; P46-T48 PolarHBondContact O-N 3.07Å; T48-R84 CarbonylContact O-C 3.56Å; T48-R84 WeakPolarHBondContact O-CA 3.37Å; T48-R84 WeakPolarHBondContact O-CB 3.44Å; T48-V85 PolarHBondContact O-N 2.98Å | ||
| 49 | R | 91.8 | Very high | 85.6 | Confident | 152 Ų | 152 | 60.6 Ų | 60.6 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.1 | -175.9 | -173.5 | -169.4 | -163 | -118.5 | 10.3 | 111.4 | E82 R84 | R49-E82 IonicContact CZ-OE1 2.79Å; R49-E82 IonicContact NE-OE1 3.9Å; R49-E82 PolarHBondContact NE-OE1 2.97Å; R49-E82 IonicContact NE-OE2 2.82Å; R49-E82 IonicContact NH2-OE1 2.74Å; R49-E82 PolarHBondContact NH2-OE1 2.99Å; R49-R84 HydrophobicContact CB-CG 4.47Å |
| 50 | I | 89.5 | Confident | 84.5 | Confident | 32 Ų | 32 | 60 Ų | 60 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -41.5 | 179.3 | -43.8 | 173.4 | 0 | 0 | 0 | 110.9 | L38 M40 F74 I83 V85 V131 | L38-I50 HydrophobicContact CB-CG2 3.99Å; L38-I50 HydrophobicContact CD1-CB 4.17Å; L38-I50 HydrophobicContact CD1-CG2 3.79Å; L38-I50 HydrophobicContact CG-CG2 4.49Å; M40-I50 HydrophobicContact CB-CG2 4.33Å; M40-I50 HydrophobicContact SD-CD1 3.77Å; M40-I50 HydrophobicContact SD-CG1 4.46Å; I50-F74 HydrophobicContact CD1-CD1 3.47Å; I50-F74 VanDerWaalsContact CD1-CD1 3.47Å; I50-F74 HydrophobicContact CD1-CE1 3.72Å; I50-I83 HydrophobicContact CB-CG2 4.43Å; I50-I83 HydrophobicContact CD1-CG2 4.34Å; I50-I83 PolarHBondContact N-O 2.83Å; I50-V85 HydrophobicContact CD1-CG2 3.84Å; I50-V85 HydrophobicContact CG1-CG2 3.89Å; I50-V131 HydrophobicContact CG2-CG1 4.47Å |
| 51 | G | 89.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -157.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I83 | G51-I83 PolarHBondContact N-O 2.84Å; G51-I83 PolarHBondContact O-N 3.01Å |
| 52 | S | 88.1 | Confident | 82.2 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 134.6 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | I54 S55 G81 | S52-I54 PolarHBondContact O-N 2.83Å; S52-I54 PolarHBondContact OG-N 2.83Å; S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 PolarHBondContact O-OG 2.86Å; S52-G81 CarbonylContact C-O 3.02Å; S52-G81 VanDerWaalsContact CA-O 3.23Å; S52-G81 WeakPolarHBondContact CA-O 3.38Å; S52-G81 PolarHBondContact OG-O 2.82Å |
| 53 | V | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69.5 | -17.1 | 178.8 | 77 | 0 | 0 | 0 | 0 | 113.6 | L36 S55 S56 L57 F67 V76 G81 I83 I113 V127 | L36-V53 HydrophobicContact CD2-CB 4.32Å; L36-V53 HydrophobicContact CD2-CG2 4.25Å; V53-S55 PolarHBondContact O-N 3.26Å; V53-S55 VanDerWaalsContact O-N 3.12Å; V53-S56 PolarHBondContact O-N 3.12Å; V53-S56 PolarHBondContact O-OG 3.03Å; V53-L57 HydrophobicContact CG1-CD1 4.28Å; V53-L57 HydrophobicContact CG2-CD1 4.37Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.85Å; V53-F67 HydrophobicContact CG1-CD1 3.57Å; V53-F67 HydrophobicContact CG1-CD2 4.41Å; V53-F67 HydrophobicContact CG1-CE1 3.61Å; V53-F67 HydrophobicContact CG1-CE2 4.42Å; V53-F67 HydrophobicContact CG1-CG 4Å; V53-F67 HydrophobicContact CG1-CZ 4.04Å; V53-V76 HydrophobicContact CG1-CG2 4.47Å; V53-G81 PolarHBondContact N-O 3.35Å; V53-I83 HydrophobicContact CB-CD1 4.31Å; V53-I113 HydrophobicContact CB-CD1 4.09Å; V53-I113 HydrophobicContact CB-CG2 4.38Å; V53-I113 HydrophobicContact CG1-CG2 4.31Å; V53-I113 HydrophobicContact CG2-CB 4.29Å; V53-I113 HydrophobicContact CG2-CD1 3.98Å; V53-I113 HydrophobicContact CG2-CG2 3.99Å; V53-V127 HydrophobicContact CG2-CB 3.95Å; V53-V127 HydrophobicContact CG2-CG1 3.87Å; V53-V127 HydrophobicContact CG2-CG2 3.88Å |
| 54 | I | 82 | Confident | 79.1 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 31% | 0.308 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -61 | -24.5 | 175.5 | -61.8 | -178.5 | 0 | 0 | 0 | 111.4 | S52 R62 F67 T80 | S52-I54 PolarHBondContact O-N 2.83Å; S52-I54 PolarHBondContact OG-N 2.83Å; I54-R62 HydrophobicContact CG2-CG 4.5Å; I54-R62 PolarHBondContact O-NE 2.89Å; I54-R62 PolarHBondContact O-NH2 3.05Å; I54-F67 HydrophobicContact CG1-CE2 4.4Å; I54-F67 HydrophobicContact CG1-CZ 4.24Å; I54-T80 WeakPolarHBondContact CD1-O 3.2Å |
| 55 | S | 76.1 | Confident | 78.1 | Confident | 75 Ų | 75 | 67 Ų | 67 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -64.9 | -44 | 178 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | S52 V53 R62 | S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.8Å; S52-S55 PolarHBondContact O-OG 2.86Å; V53-S55 PolarHBondContact O-N 3.26Å; V53-S55 VanDerWaalsContact O-N 3.12Å; S55-R62 PolarHBondContact O-NH2 3.29Å |
| 56 | S | 79.7 | Confident | 77.7 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -18.2 | -176.6 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | V53 | V53-S56 PolarHBondContact O-N 3.12Å; V53-S56 PolarHBondContact O-OG 3.03Å |
| 57 | L | 77.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -76.5 | 134.1 | -174.3 | -72.6 | 164.9 | 0 | 0 | 0 | 112.8 | I34 V53 L61 R62 F67 V115 V127 | I34-L57 HydrophobicContact CD1-CD2 4.43Å; V53-L57 HydrophobicContact CG1-CD1 4.28Å; V53-L57 HydrophobicContact CG2-CD1 4.37Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.85Å; L57-L61 HydrophobicContact CB-CB 4.46Å; L57-L61 HydrophobicContact CD2-CD1 3.93Å; L57-R62 VanDerWaalsContact O-CZ 3.24Å; L57-R62 PolarHBondContact O-NE 2.98Å; L57-R62 PolarHBondContact O-NH2 3.44Å; L57-F67 HydrophobicContact CD1-CE1 3.59Å; L57-F67 HydrophobicContact CD1-CZ 4.07Å; L57-V115 HydrophobicContact CD1-CG2 4.28Å; L57-V115 HydrophobicContact CD2-CG2 4.04Å; L57-V127 HydrophobicContact CD2-CG2 3.76Å; L57-V127 HydrophobicContact CG-CG2 4.37Å |
| 58 | P | 71 | Confident | 77.4 | Confident | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | trans | -49.2 | 145.2 | 168.2 | -30.2 | 34.6 | 0 | 0 | 0 | 113 | N60 L61 | P58-N60 PolarHBondContact O-N 2.76Å; P58-L61 HydrophobicContact CG-CD1 4.42Å; P58-L61 PolarHBondContact O-N 3.45Å | ||
| 59 | V | 70.3 | Confident | 77.1 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 67% | 0.667 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -50.9 | -39.2 | -173.4 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | L61 R62 | V59-L61 PolarHBondContact O-N 2.72Å; V59-R62 PolarHBondContact O-N 3.46Å |
| 60 | N | 67.2 | Low | 76.9 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 78% | 0.781 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.1 | -179.1 | -56.1 | -2.2 | 0 | 0 | 0 | 114.1 | P58 | P58-N60 PolarHBondContact O-N 2.76Š|
| 61 | L | 66 | Low | 76.7 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -95.3 | -8 | -178.7 | -54.9 | -176.5 | 0 | 0 | 0 | 113.2 | L57 P58 V59 S63 M65 A125 | L57-L61 HydrophobicContact CB-CB 4.46Å; L57-L61 HydrophobicContact CD2-CD1 3.93Å; P58-L61 HydrophobicContact CG-CD1 4.42Å; P58-L61 PolarHBondContact O-N 3.45Å; V59-L61 PolarHBondContact O-N 2.72Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; L61-M65 HydrophobicContact CB-CE 4.21Å; L61-M65 HydrophobicContact CB-SD 3.86Å; L61-M65 HydrophobicContact CD2-CE 3.65Å; L61-M65 HydrophobicContact CD2-SD 4.09Å; L61-M65 HydrophobicContact CG-SD 4.48Å; L61-A125 HydrophobicContact CD1-CB 4.2Å |
| 62 | R | 66.6 | Low | 76.6 | Confident | 121 Ų | 121 | 64 Ų | 64 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.3 | -165.8 | -64.5 | -174.4 | -180 | -157.7 | -10.8 | 115.9 | I54 S55 L57 V59 | I54-R62 HydrophobicContact CG2-CG 4.5Å; I54-R62 PolarHBondContact O-NE 2.89Å; I54-R62 PolarHBondContact O-NH2 3.05Å; S55-R62 PolarHBondContact O-NH2 3.29Å; L57-R62 VanDerWaalsContact O-CZ 3.24Å; L57-R62 PolarHBondContact O-NE 2.98Å; L57-R62 PolarHBondContact O-NH2 3.44Å; V59-R62 PolarHBondContact O-N 3.46Å |
| 63 | S | 59.3 | Low | 76.7 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -3.5 | -160.9 | 53.1 | 0 | 0 | 0 | 0 | 116.9 | L61 | L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å |
| 64 | Q | 55.7 | Low | 76.9 | Confident | 127 Ų | 127 | 64.4 Ų | 64.4 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -152.7 | 26.7 | -170.7 | -128.6 | 168 | 37.7 | 0 | 0 | 116.8 | K118 | Q64-K118 VanDerWaalsContact O-CB 3.26Å; Q64-K118 WeakPolarHBondContact O-CB 3.47Å; Q64-K118 PolarHBondContact O-N 2.99Å |
| 65 | M | 67.4 | Low | 77.3 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 19% | 0.192 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 162.4 | -164.4 | -58.7 | -171.4 | 179.6 | 0 | 0 | 114.5 | L61 V115 T116 A124 | L61-M65 HydrophobicContact CB-CE 4.21Å; L61-M65 HydrophobicContact CB-SD 3.86Å; L61-M65 HydrophobicContact CD2-CE 3.65Å; L61-M65 HydrophobicContact CD2-SD 4.09Å; L61-M65 HydrophobicContact CG-SD 4.48Å; M65-V115 HydrophobicContact CB-CG1 3.62Å; M65-V115 HydrophobicContact CG-CG1 4.08Å; M65-V115 HydrophobicContact SD-CG1 3.51Å; M65-V115 VanDerWaalsContact SD-CG1 3.51Å; M65-T116 CarbonylContact C-O 3.46Å; M65-T116 WeakPolarHBondContact CA-O 3.49Å; M65-T116 WeakPolarHBondContact CB-O 3.46Å; M65-A124 HydrophobicContact CE-CB 3.98Å; M65-A124 HydrophobicContact SD-CB 3.7Å |
| 66 | H | 80.2 | Confident | 78 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.6 | 179.2 | -176.4 | -78.8 | 0 | 0 | 0 | 109.4 | P78 T116 | H66-P78 WeakPolarHBondContact CA-O 3.41Å; H66-P78 WeakPolarHBondContact NE2-CB 3.25Å; H66-T116 PolarHBondContact N-O 2.85Å; H66-T116 PolarHBondContact O-N 3.03Å |
| 67 | F | 85.1 | Confident | 78.4 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.9 | -175.2 | -54.5 | -68 | 0 | 0 | 0 | 112.4 | V53 I54 L57 V76 P78 V115 | V53-F67 HydrophobicContact CG1-CD1 3.57Å; V53-F67 HydrophobicContact CG1-CD2 4.41Å; V53-F67 HydrophobicContact CG1-CE1 3.61Å; V53-F67 HydrophobicContact CG1-CE2 4.42Å; V53-F67 HydrophobicContact CG1-CG 4Å; V53-F67 HydrophobicContact CG1-CZ 4.04Å; I54-F67 HydrophobicContact CG1-CE2 4.4Å; I54-F67 HydrophobicContact CG1-CZ 4.24Å; L57-F67 HydrophobicContact CD1-CE1 3.59Å; L57-F67 HydrophobicContact CD1-CZ 4.07Å; F67-V76 HydrophobicContact CB-CG1 3.91Å; F67-V76 HydrophobicContact CB-CG2 3.88Å; F67-P78 WeakPolarHBondContact CD2-O 3.47Å; F67-P78 PolarHBondContact N-O 3Å; F67-V115 HydrophobicContact CD1-CG1 4.26Å; F67-V115 HydrophobicContact CD1-CG2 4.05Å; F67-V115 HydrophobicContact CE1-CG1 3.88Å; F67-V115 HydrophobicContact CE1-CG2 4.07Å |
| 68 | L | 83.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 44% | 0.44 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159 | 173.9 | -65 | 172.1 | 0 | 0 | 0 | 108.9 | I113 F114 | L68-I113 CarbonylContact O-C 3.58Å; L68-I113 VanDerWaalsContact O-CA 3.27Å; L68-I113 WeakPolarHBondContact O-CA 3.5Å; L68-I113 WeakPolarHBondContact O-CG2 3.37Å; L68-F114 HydrophobicContact CB-CB 4.41Å; L68-F114 PolarHBondContact N-O 3.12Å; L68-F114 PolarHBondContact O-N 2.8Å |
| 69 | T | 87 | Confident | 79.2 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 23% | 0.233 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.7 | 173.2 | -174 | 0 | 0 | 0 | 0 | 111.1 | S71 F74 V76 S112 | T69-S71 PolarHBondContact OG1-N 2.88Å; T69-F74 WeakPolarHBondContact CG2-O 3.37Å; T69-V76 HydrophobicContact CG2-CB 4.36Å; T69-V76 HydrophobicContact CG2-CG1 3.99Å; T69-S112 WeakPolarHBondContact CA-O 3.05Å; T69-S112 WeakPolarHBondContact CB-O 3.45Å; T69-S112 PolarHBondContact OG1-O 3.44Å |
| 70 | D | 86.7 | Confident | 79.9 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | trans | -83.3 | -11.1 | 174.3 | 60.7 | 4 | 0 | 0 | 0 | 113.7 | A111 S112 F114 | D70-A111 WeakPolarHBondContact OD1-CA 3.35Å; D70-S112 VanDerWaalsContact CG-N 3.28Å; D70-S112 PolarHBondContact N-O 3.16Å; D70-S112 PolarHBondContact OD1-N 2.88Å; D70-S112 WeakPolarHBondContact OD2-CB 3.46Å; D70-S112 PolarHBondContact OD2-N 2.92Å; D70-S112 VanDerWaalsContact OD2-N 3.12Å; D70-S112 PolarHBondContact OD2-OG 2.78Å; D70-F114 HydrophobicContact CB-CE2 4.17Å; D70-F114 HydrophobicContact CB-CZ 4.42Å | ||
| 71 | S | 86 | Confident | 80.8 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | trans | -77.8 | 144.6 | -167.8 | -159.6 | 0 | 0 | 0 | 0 | 114 | T69 F73 F74 | T69-S71 PolarHBondContact OG1-N 2.88Å; S71-F73 PolarHBondContact OG-N 3.36Å; S71-F74 PolarHBondContact OG-N 2.95Å | ||
| 72 | T | 87 | Confident | 81.9 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 56% | 0.564 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -93 | -16.5 | 161.4 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | R87 | T72-R87 WeakPolarHBondContact O-CG 3.44Å; T72-R87 PolarHBondContact OG1-NH2 2.8Å |
| 73 | F | 88.9 | Confident | 83.1 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -86.2 | -27.3 | 178.5 | -63.6 | -71.8 | 0 | 0 | 0 | 112.6 | S71 G86 R87 I89 L94 L109 | S71-F73 PolarHBondContact OG-N 3.36Å; F73-G86 PolarHBondContact O-N 3.16Å; F73-R87 HydrophobicContact CD1-CG 4.09Å; F73-R87 VanDerWaalsContact CE1-CZ 3.48Å; F73-I89 HydrophobicContact CB-CD1 4.22Å; F73-I89 HydrophobicContact CD1-CD1 4.34Å; F73-I89 HydrophobicContact CD1-CG1 3.82Å; F73-L94 HydrophobicContact CD1-CD1 4.34Å; F73-L94 HydrophobicContact CE1-CD1 3.56Å; F73-L94 HydrophobicContact CE1-CD2 3.79Å; F73-L94 HydrophobicContact CE1-CG 4.35Å; F73-L94 HydrophobicContact CZ-CD1 4.14Å; F73-L94 HydrophobicContact CZ-CD2 3.66Å; F73-L109 HydrophobicContact CB-CD1 4.33Å; F73-L109 HydrophobicContact CD1-CD1 4.13Å; F73-L109 HydrophobicContact CD2-CD1 4.37Å; F73-L109 HydrophobicContact CE1-CD1 4.47Å; F73-L109 HydrophobicContact CG-CD1 4.05Å |
| 74 | F | 91.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144 | -177.4 | -49.3 | -57.4 | 0 | 0 | 0 | 111.1 | M40 I50 T69 S71 I83 R84 I89 L109 A111 L129 V131 | M40-F74 HydrophobicContact SD-CE1 3.93Å; I50-F74 HydrophobicContact CD1-CD1 3.47Å; I50-F74 VanDerWaalsContact CD1-CD1 3.47Å; I50-F74 HydrophobicContact CD1-CE1 3.72Å; T69-F74 WeakPolarHBondContact CG2-O 3.37Å; S71-F74 PolarHBondContact OG-N 2.95Å; F74-I83 HydrophobicContact CB-CG2 4.33Å; F74-R84 CarbonylContact C-O 3.58Å; F74-R84 WeakPolarHBondContact CA-O 3.44Å; F74-I89 HydrophobicContact CE1-CD1 3.86Å; F74-I89 HydrophobicContact CZ-CD1 4.32Å; F74-L109 HydrophobicContact CE2-CB 3.91Å; F74-L109 HydrophobicContact CZ-CB 3.87Å; F74-L109 HydrophobicContact CZ-CD1 4.02Å; F74-A111 HydrophobicContact CD2-CB 4.01Å; F74-L129 HydrophobicContact CB-CD2 4.12Å; F74-L129 HydrophobicContact CD2-CD2 3.75Å; F74-L129 HydrophobicContact CE2-CD2 4.46Å; F74-L129 HydrophobicContact CG-CD2 3.96Å; F74-V131 HydrophobicContact CD1-CG2 4.38Å; F74-V131 HydrophobicContact CD2-CG2 4.15Å; F74-V131 HydrophobicContact CE1-CB 4.14Å; F74-V131 HydrophobicContact CE1-CG1 4.24Å; F74-V131 HydrophobicContact CE1-CG2 3.83Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG2 3.56Å; F74-V131 HydrophobicContact CZ-CB 3.55Å; F74-V131 HydrophobicContact CZ-CG1 4.09Å; F74-V131 HydrophobicContact CZ-CG2 3.4Å |
| 75 | T | 91 | Very high | 86.4 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 41% | 0.405 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140 | 171.5 | 51.9 | 0 | 0 | 0 | 0 | 109 | I83 R84 | T75-I83 CarbonylContact O-C 3.51Å; T75-I83 WeakPolarHBondContact O-CA 3.41Å; T75-R84 PolarHBondContact N-O 3.41Å; T75-R84 PolarHBondContact O-N 3.39Å; T75-R84 PolarHBondContact OG1-O 2.81Å |
| 76 | V | 89.7 | Confident | 87.3 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.7 | 175.4 | 73.5 | 0 | 0 | 0 | 0 | 110.1 | V53 F67 T69 P78 E82 I83 I113 | V53-V76 HydrophobicContact CG1-CG2 4.47Å; F67-V76 HydrophobicContact CB-CG1 3.91Å; F67-V76 HydrophobicContact CB-CG2 3.88Å; T69-V76 HydrophobicContact CG2-CB 4.36Å; T69-V76 HydrophobicContact CG2-CG1 3.99Å; V76-P78 WeakPolarHBondContact O-CD 3.22Å; V76-E82 CarbonylContact C-O 3.56Å; V76-E82 WeakPolarHBondContact CA-O 3.39Å; V76-I83 HydrophobicContact CG2-CG1 4.24Å; V76-I113 HydrophobicContact CG1-CG2 4.37Å; V76-I113 HydrophobicContact CG2-CD1 4.5Å; V76-I113 HydrophobicContact CG2-CG2 4.26Å |
| 77 | T | 88.9 | Confident | 87.8 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 23% | 0.233 | 26% | 0.258 | C | S | . | . | trans | -78.2 | 114.9 | -177.7 | -54.8 | 0 | 0 | 0 | 0 | 109.3 | T79 T80 G81 E82 | T77-T79 PolarHBondContact O-N 2.9Å; T77-T80 VanDerWaalsContact CB-OG1 3.27Å; T77-T80 WeakPolarHBondContact CB-OG1 3.47Å; T77-T80 WeakPolarHBondContact CG2-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.36Å; T77-G81 PolarHBondContact O-N 2.73Å; T77-E82 PolarHBondContact N-O 3.45Å; T77-E82 PolarHBondContact OG1-O 2.68Å; T77-E82 VanDerWaalsContact OG1-O 3.13Å | ||
| 78 | P | 84.4 | Confident | 88 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22 | -160.3 | -27.5 | 35.7 | 0 | 0 | 0 | 116.6 | H66 F67 V76 | H66-P78 WeakPolarHBondContact CA-O 3.41Å; H66-P78 WeakPolarHBondContact NE2-CB 3.25Å; F67-P78 WeakPolarHBondContact CD2-O 3.47Å; F67-P78 PolarHBondContact N-O 3Å; V76-P78 WeakPolarHBondContact O-CD 3.22Å |
| 79 | T | 81.6 | Confident | 88.2 | Confident | 103 Ų | 103 | 46.3 Ų | 46.3 | 63% | 0.632 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -17.3 | -177.9 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | T77 | T77-T79 PolarHBondContact O-N 2.9Š|
| 80 | T | 84.1 | Confident | 88.4 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -8 | -174.4 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | I54 T77 E82 | I54-T80 WeakPolarHBondContact CD1-O 3.2Å; T77-T80 VanDerWaalsContact CB-OG1 3.27Å; T77-T80 WeakPolarHBondContact CB-OG1 3.47Å; T77-T80 WeakPolarHBondContact CG2-OG1 3.37Å; T77-T80 PolarHBondContact O-N 3.36Å; T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 VanDerWaalsContact O-N 3.12Å |
| 81 | G | 85.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 65.8 | 11.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S52 V53 T77 I83 | S52-G81 CarbonylContact C-O 3.02Å; S52-G81 VanDerWaalsContact CA-O 3.23Å; S52-G81 WeakPolarHBondContact CA-O 3.38Å; S52-G81 PolarHBondContact OG-O 2.82Å; V53-G81 PolarHBondContact N-O 3.35Å; T77-G81 PolarHBondContact O-N 2.73Å; G81-I83 PolarHBondContact O-N 2.04Å | ||
| 82 | E | 90.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.5 | 177.3 | -67.7 | -162.8 | 143.6 | 0 | 0 | 111 | R49 V76 T77 T80 R84 | R49-E82 IonicContact CZ-OE1 2.79Å; R49-E82 IonicContact NE-OE1 3.9Å; R49-E82 PolarHBondContact NE-OE1 2.97Å; R49-E82 IonicContact NE-OE2 2.82Å; R49-E82 IonicContact NH2-OE1 2.74Å; R49-E82 PolarHBondContact NH2-OE1 2.99Å; V76-E82 CarbonylContact C-O 3.56Å; V76-E82 WeakPolarHBondContact CA-O 3.39Å; T77-E82 PolarHBondContact N-O 3.45Å; T77-E82 PolarHBondContact OG1-O 2.68Å; T77-E82 VanDerWaalsContact OG1-O 3.13Å; T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 VanDerWaalsContact O-N 3.12Å; E82-R84 IonicContact OE2-CZ 2.72Å; E82-R84 IonicContact OE2-NE 3.63Å; E82-R84 IonicContact OE2-NH2 3.23Å; E82-R84 PolarHBondContact OE2-NH2 2.9Å |
| 83 | I | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.5 | 178.3 | -61.2 | 160.4 | 0 | 0 | 0 | 108.1 | L36 L38 I50 G51 V53 F74 T75 V76 G81 I113 L129 | L36-I83 HydrophobicContact CD2-CD1 3.54Å; L38-I83 HydrophobicContact CD1-CB 4.36Å; L38-I83 HydrophobicContact CD1-CD1 3.91Å; L38-I83 HydrophobicContact CD1-CG2 4.24Å; I50-I83 HydrophobicContact CB-CG2 4.43Å; I50-I83 HydrophobicContact CD1-CG2 4.34Å; I50-I83 PolarHBondContact N-O 2.83Å; G51-I83 PolarHBondContact N-O 2.84Å; G51-I83 PolarHBondContact O-N 3.01Å; V53-I83 HydrophobicContact CB-CD1 4.31Å; F74-I83 HydrophobicContact CB-CG2 4.33Å; T75-I83 CarbonylContact O-C 3.51Å; T75-I83 WeakPolarHBondContact O-CA 3.41Å; V76-I83 HydrophobicContact CG2-CG1 4.24Å; G81-I83 PolarHBondContact O-N 2.04Å; I83-I113 HydrophobicContact CD1-CD1 3.62Å; I83-I113 HydrophobicContact CG1-CD1 3.86Å; I83-L129 HydrophobicContact CD1-CD1 4.14Å; I83-L129 HydrophobicContact CD1-CD2 4.3Å; I83-L129 HydrophobicContact CG2-CD2 3.79Å |
| 84 | R | 92.1 | Very high | 87.9 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.8 | -177.3 | -67.4 | 168.3 | -178.7 | -108.1 | -1 | 111 | S47 T48 R49 F74 T75 E82 G86 | S47-R84 PolarHBondContact O-NH1 2.92Å; T48-R84 CarbonylContact O-C 3.56Å; T48-R84 WeakPolarHBondContact O-CA 3.37Å; T48-R84 WeakPolarHBondContact O-CB 3.44Å; R49-R84 HydrophobicContact CB-CG 4.47Å; F74-R84 CarbonylContact C-O 3.58Å; F74-R84 WeakPolarHBondContact CA-O 3.44Å; T75-R84 PolarHBondContact N-O 3.41Å; T75-R84 PolarHBondContact O-N 3.39Å; T75-R84 PolarHBondContact OG1-O 2.81Å; E82-R84 IonicContact OE2-CZ 2.72Å; E82-R84 IonicContact OE2-NE 3.63Å; E82-R84 IonicContact OE2-NH2 3.23Å; E82-R84 PolarHBondContact OE2-NH2 2.9Å; R84-G86 PolarHBondContact O-N 2.83Å |
| 85 | V | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 126.4 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | M40 I44 S47 T48 I50 R87 | M40-V85 HydrophobicContact CE-CG2 3.79Å; M40-V85 HydrophobicContact SD-CG2 4.31Å; I44-V85 HydrophobicContact CG2-CG2 3.99Å; S47-V85 WeakPolarHBondContact CA-O 3.07Å; S47-V85 PolarHBondContact N-O 3.35Å; T48-V85 PolarHBondContact O-N 2.98Å; I50-V85 HydrophobicContact CD1-CG2 3.84Å; I50-V85 HydrophobicContact CG1-CG2 3.89Å; V85-R87 WeakPolarHBondContact CG1-O 3.07Å |
| 86 | G | 87.5 | Confident | 85.8 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | trans | -90.7 | -36.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F73 R84 | F73-G86 PolarHBondContact O-N 3.16Å; R84-G86 PolarHBondContact O-N 2.83Å | ||
| 87 | R | 89.4 | Confident | 84.1 | Confident | 116 Ų | 116 | 59 Ų | 59 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -147.7 | 166.6 | 172.9 | 64.3 | 177.8 | 169.4 | 161.3 | -6.4 | 110.2 | T72 F73 V85 | T72-R87 WeakPolarHBondContact O-CG 3.44Å; T72-R87 PolarHBondContact OG1-NH2 2.8Å; F73-R87 HydrophobicContact CD1-CG 4.09Å; F73-R87 VanDerWaalsContact CE1-CZ 3.48Å; V85-R87 WeakPolarHBondContact CG1-O 3.07Å |
| 88 | L | 89.5 | Confident | 82.4 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | trans | -56.1 | 142.3 | 172 | -161.7 | 66.1 | 0 | 0 | 0 | 110.6 | E43 | E43-L88 VanDerWaalsContact OE1-CG 3.25Å; E43-L88 WeakPolarHBondContact OE1-CG 3.28Å; E43-L88 WeakPolarHBondContact OE2-CD2 3.4Å | ||
| 89 | I | 88.7 | Confident | 80.8 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | trans | -130.5 | 106.5 | -173.4 | -73.5 | 162.3 | 0 | 0 | 0 | 105.8 | M40 E42 E43 F73 F74 L94 L109 I133 | M40-I89 HydrophobicContact CE-CD1 3.77Å; M40-I89 HydrophobicContact SD-CD1 3.94Å; E42-I89 WeakPolarHBondContact CA-O 3.27Å; E42-I89 VanDerWaalsContact CB-O 3.29Å; E42-I89 WeakPolarHBondContact CB-O 3.15Å; E43-I89 PolarHBondContact N-O 2.83Å; F73-I89 HydrophobicContact CB-CD1 4.22Å; F73-I89 HydrophobicContact CD1-CD1 4.34Å; F73-I89 HydrophobicContact CD1-CG1 3.82Å; F74-I89 HydrophobicContact CE1-CD1 3.86Å; F74-I89 HydrophobicContact CZ-CD1 4.32Å; I89-L94 HydrophobicContact CB-CD1 4.26Å; I89-L94 HydrophobicContact CG1-CD1 4.41Å; I89-L94 HydrophobicContact CG2-CD1 3.86Å; I89-L109 HydrophobicContact CD1-CD1 4.05Å; I89-L109 HydrophobicContact CG1-CD1 4.22Å; I89-L109 HydrophobicContact CG2-CD1 3.99Å; I89-I133 HydrophobicContact CG2-CD1 4.09Å; I89-I133 HydrophobicContact CG2-CG1 4.18Å; I89-I133 HydrophobicContact CG2-CG2 4.03Å | ||
| 90 | D | 89.8 | Confident | 79.4 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 24% | 0.235 | 32% | 0.322 | C | S | . | . | trans | -103.4 | 126.8 | 172.1 | 105 | 53.4 | 0 | 0 | 0 | 107.8 | R93 L94 | D90-R93 VanDerWaalsContact CG-CB 3.41Å; D90-R93 WeakPolarHBondContact OD1-CB 3.34Å; D90-R93 PolarHBondContact OD1-N 2.92Å; D90-R93 VanDerWaalsContact OD2-CB 3.28Å; D90-R93 WeakPolarHBondContact OD2-CB 3.34Å; D90-R93 WeakPolarHBondContact OD2-CD 3.46Å; D90-R93 IonicContact OD2-NH1 3.15Å; D90-L94 VanDerWaalsContact O-CB 3.24Å; D90-L94 WeakPolarHBondContact O-CB 3.04Å; D90-L94 VanDerWaalsContact O-CD1 3.29Å; D90-L94 WeakPolarHBondContact O-CD1 3.45Å; D90-L94 WeakPolarHBondContact O-CG 3.47Å; D90-L94 PolarHBondContact O-N 3.13Å | ||
| 91 | R | 87.2 | Confident | 78 | Confident | 9 Ų | 9 | 70 Ų | 70 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84.6 | -34.3 | -162.9 | -171.6 | -156.8 | 64.4 | 71.3 | -1.8 | 111.6 | E42 R93 L94 C95 C107 I133 D135 | E42-R91 HydrophobicContact CB-CB 4.19Å; E42-R91 HydrophobicContact CG-CB 4.47Å; E42-R91 WeakPolarHBondContact OE1-CB 3.24Å; E42-R91 WeakPolarHBondContact OE1-CD 3.29Å; E42-R91 IonicContact OE1-NE 2.72Å; E42-R91 PolarHBondContact OE1-NE 2.86Å; E42-R91 WeakPolarHBondContact OE2-CA 3.29Å; E42-R91 WeakPolarHBondContact OE2-CB 3.44Å; E42-R91 PolarHBondContact OE2-N 2.79Å; R91-R93 VanDerWaalsContact C-N 3.27Å; R91-R93 PolarHBondContact O-N 3.17Å; R91-L94 PolarHBondContact O-N 3.34Å; R91-C95 WeakPolarHBondContact O-CB 3.33Å; R91-C95 PolarHBondContact O-N 2.54Å; R91-C107 HydrophobicContact CG-CB 3.88Å; R91-I133 HydrophobicContact CB-CG2 4.12Å; R91-I133 HydrophobicContact CG-CB 4.41Å; R91-I133 HydrophobicContact CG-CG2 4Å; R91-D135 IonicContact CZ-OD1 3.59Å; R91-D135 IonicContact NE-OD1 2.69Å; R91-D135 PolarHBondContact NE-OD1 2.84Å; R91-D135 IonicContact NH2-OD1 2.7Å; R91-D135 PolarHBondContact NH2-OD1 2.57Å |
| 92 | E | 85.9 | Confident | 76.4 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.9 | -68.2 | 57.1 | -115.3 | 0 | 0 | 110.2 | A170 | E92-A170 HydrophobicContact CG-CB 4.05Å |
| 93 | R | 85.3 | Confident | 74.7 | Confident | 195 Ų | 195 | 77 Ų | 77 | 74% | 0.736 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -82.3 | -29.3 | 178.3 | -170.3 | -176.6 | -173.7 | 166.3 | 4.8 | 114 | D90 R91 P96 | D90-R93 VanDerWaalsContact CG-CB 3.41Å; D90-R93 WeakPolarHBondContact OD1-CB 3.34Å; D90-R93 PolarHBondContact OD1-N 2.92Å; D90-R93 VanDerWaalsContact OD2-CB 3.28Å; D90-R93 WeakPolarHBondContact OD2-CB 3.34Å; D90-R93 WeakPolarHBondContact OD2-CD 3.46Å; D90-R93 IonicContact OD2-NH1 3.15Å; R91-R93 VanDerWaalsContact C-N 3.27Å; R91-R93 PolarHBondContact O-N 3.17Å; R93-P96 WeakPolarHBondContact O-CD 3.23Å |
| 94 | L | 80.9 | Confident | 73 | Confident | 58 Ų | 58 | 80.6 Ų | 80.6 | 30% | 0.304 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -91.1 | -24.3 | -177.3 | -69 | 174.3 | 0 | 0 | 0 | 114 | F73 I89 D90 R91 | F73-L94 HydrophobicContact CD1-CD1 4.34Å; F73-L94 HydrophobicContact CE1-CD1 3.56Å; F73-L94 HydrophobicContact CE1-CD2 3.79Å; F73-L94 HydrophobicContact CE1-CG 4.35Å; F73-L94 HydrophobicContact CZ-CD1 4.14Å; F73-L94 HydrophobicContact CZ-CD2 3.66Å; I89-L94 HydrophobicContact CB-CD1 4.26Å; I89-L94 HydrophobicContact CG1-CD1 4.41Å; I89-L94 HydrophobicContact CG2-CD1 3.86Å; D90-L94 VanDerWaalsContact O-CB 3.24Å; D90-L94 WeakPolarHBondContact O-CB 3.04Å; D90-L94 VanDerWaalsContact O-CD1 3.29Å; D90-L94 WeakPolarHBondContact O-CD1 3.45Å; D90-L94 WeakPolarHBondContact O-CG 3.47Å; D90-L94 PolarHBondContact O-N 3.13Å; R91-L94 PolarHBondContact O-N 3.34Å |
| 95 | C | 76.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 9% | 0.088 | 44% | 0.435 | C | S | . | . | trans | -121.1 | 41.2 | 178.5 | -76.7 | 0 | 0 | 0 | 0 | 115 | R91 E97 F98 C107 | R91-C95 WeakPolarHBondContact O-CB 3.33Å; R91-C95 PolarHBondContact O-N 2.54Å; C95-E97 PolarHBondContact O-N 3.45Å; C95-F98 HydrophobicContact CB-CD2 4.32Å; C95-F98 PolarHBondContact O-N 2.68Å; C95-C107 HydrophobicContact CB-CB 3.68Å; C95-C107 WeakPolarHBondContact CB-SG 2.74Å; C95-C107 WeakPolarHBondContact SG-CA 3.23Å; C95-C107 WeakPolarHBondContact SG-CB 3.45Å; C95-C107 CovalentContact SG-SG 2.03Å; C95-C107 PolarHBondContact SG-SG 3.22Å | ||
| 96 | P | 62.1 | Low | 70.8 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -65.4 | -24.1 | 179.4 | 29.9 | -36.4 | 0 | 0 | 0 | 113 | R93 F98 K99 | R93-P96 WeakPolarHBondContact O-CD 3.23Å; P96-F98 VanDerWaalsContact C-N 3.26Å; P96-F98 PolarHBondContact O-N 2.65Å; P96-K99 PolarHBondContact O-N 2.98Å |
| 97 | E | 54.4 | Low | 70.5 | Confident | 189 Ų | 189 | 82.1 Ų | 82.1 | 88% | 0.883 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -75.3 | -8.2 | -178.5 | -62.1 | -168.3 | 147.5 | 0 | 0 | 114.2 | C95 K99 | C95-E97 PolarHBondContact O-N 3.45Å; E97-K99 VanDerWaalsContact C-N 3.35Å |
| 98 | F | 51.7 | Low | 70.4 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -89.8 | 5.7 | 175.1 | -75.4 | -81.7 | 0 | 0 | 0 | 113.8 | C95 P96 L100 | C95-F98 HydrophobicContact CB-CD2 4.32Å; C95-F98 PolarHBondContact O-N 2.68Å; P96-F98 VanDerWaalsContact C-N 3.26Å; P96-F98 PolarHBondContact O-N 2.65Å; F98-L100 PolarHBondContact O-N 2.95Å |
| 99 | K | 51.5 | Low | 70.3 | Confident | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -69.8 | 100.3 | 177.5 | -115.4 | 168.2 | 178 | 163.1 | 0 | 112.4 | P96 E97 I172 | P96-K99 PolarHBondContact O-N 2.98Å; E97-K99 VanDerWaalsContact C-N 3.35Å; K99-I172 HydrophobicContact CG-CD1 4.49Å |
| 100 | L | 53.1 | Low | 70.3 | Confident | 152 Ų | 152 | 81.9 Ų | 81.9 | 80% | 0.796 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 81.8 | 22.9 | 138.5 | -130.7 | 76.5 | 0 | 0 | 0 | 121.2 | F98 | F98-L100 PolarHBondContact O-N 2.95Š|
| 101 | C | 53 | Low | 70.2 | Confident | 124 Ų | 124 | 80 Ų | 80 | 84% | 0.838 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -108.2 | -26.9 | 174.5 | -75.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 102 | C | 51.9 | Low | 70.3 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -135.1 | 8.3 | -165 | -64.9 | 0 | 0 | 0 | 0 | 116.2 | V104 | C102-V104 PolarHBondContact O-N 2.82Å; C102-V104 VanDerWaalsContact O-N 3.17Å |
| 103 | G | 54.7 | Low | 70.3 | Confident | 75 Ų | 75 | 79 Ų | 79 | 77% | 0.773 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 67.7 | 10 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 104 | V | 56.3 | Low | 70.3 | Confident | 77 Ų | 77 | 73 Ų | 73 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | trans | -95.4 | 98.2 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | C102 T106 | C102-V104 PolarHBondContact O-N 2.82Å; C102-V104 VanDerWaalsContact O-N 3.17Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 VanDerWaalsContact CG1-OG1 3.23Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.5Å; V104-T106 PolarHBondContact O-N 3.14Å | ||
| 105 | I | 65.5 | Low | 70.5 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 41% | 0.41 | 39% | 0.393 | S | S | . | . | trans | -83 | -2.9 | -175.2 | -51.7 | 177.6 | 0 | 0 | 0 | 111.6 | C107 I172 P174 | I105-C107 PolarHBondContact O-N 2.8Å; I105-I172 HydrophobicContact CG2-CG1 4.35Å; I105-I172 HydrophobicContact CG2-CG2 3.6Å; I105-P174 HydrophobicContact CD1-CG 4.26Å | ||
| 106 | T | 71.3 | Confident | 70.6 | Confident | 66 Ų | 66 | 71 Ų | 71 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | trans | -77.8 | 106.3 | -169.1 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | V104 E108 | V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 VanDerWaalsContact CG1-OG1 3.23Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.5Å; V104-T106 PolarHBondContact O-N 3.14Å; T106-E108 PolarHBondContact O-N 3.22Å | ||
| 107 | C | 82.9 | Confident | 71.1 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 109 | 163.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | R91 C95 I105 E132 I133 | R91-C107 HydrophobicContact CG-CB 3.88Å; C95-C107 HydrophobicContact CB-CB 3.68Å; C95-C107 WeakPolarHBondContact CB-SG 2.74Å; C95-C107 WeakPolarHBondContact SG-CA 3.23Å; C95-C107 WeakPolarHBondContact SG-CB 3.45Å; C95-C107 CovalentContact SG-SG 2.03Å; C95-C107 PolarHBondContact SG-SG 3.22Å; I105-C107 PolarHBondContact O-N 2.8Å; C107-E132 CarbonylContact O-C 3.53Å; C107-E132 WeakPolarHBondContact O-CA 3.48Å; C107-I133 HydrophobicContact CB-CB 4.17Å; C107-I133 PolarHBondContact O-N 2.9Å |
| 108 | E | 85.9 | Confident | 71.6 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 105.3 | -177.7 | -175.6 | -178.6 | 86.4 | 0 | 0 | 111.5 | T106 K110 K130 V131 | T106-E108 PolarHBondContact O-N 3.22Å; E108-K110 WeakPolarHBondContact OE1-CE 3.47Å; E108-K110 IonicContact OE1-NZ 2.96Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; E108-K130 HydrophobicContact CG-CB 4Å; E108-K130 HydrophobicContact CG-CG 4.18Å; E108-K130 WeakPolarHBondContact OE1-CD 3.49Å; E108-K130 WeakPolarHBondContact OE1-CE 3.34Å; E108-K130 WeakPolarHBondContact OE2-CD 3.3Å; E108-V131 WeakPolarHBondContact CA-O 3.06Å |
| 109 | L | 87.7 | Confident | 72.3 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138.6 | 171.6 | -65.3 | -175 | 0 | 0 | 0 | 110.8 | F73 F74 I89 K130 V131 I133 | F73-L109 HydrophobicContact CB-CD1 4.33Å; F73-L109 HydrophobicContact CD1-CD1 4.13Å; F73-L109 HydrophobicContact CD2-CD1 4.37Å; F73-L109 HydrophobicContact CE1-CD1 4.47Å; F73-L109 HydrophobicContact CG-CD1 4.05Å; F74-L109 HydrophobicContact CE2-CB 3.91Å; F74-L109 HydrophobicContact CZ-CB 3.87Å; F74-L109 HydrophobicContact CZ-CD1 4.02Å; I89-L109 HydrophobicContact CD1-CD1 4.05Å; I89-L109 HydrophobicContact CG1-CD1 4.22Å; I89-L109 HydrophobicContact CG2-CD1 3.99Å; L109-K130 CarbonylContact O-C 3.6Å; L109-K130 WeakPolarHBondContact O-CA 3.49Å; L109-V131 PolarHBondContact N-O 3.23Å; L109-V131 PolarHBondContact O-N 2.83Å; L109-I133 HydrophobicContact CD1-CD1 3.98Å; L109-I133 HydrophobicContact CD1-CG1 4.01Å; L109-I133 HydrophobicContact CG-CD1 4.22Å; L109-I133 HydrophobicContact CG-CG1 3.9Å |
| 110 | K | 88.7 | Confident | 72.9 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.7 | -175.3 | -71 | 166.4 | -174.6 | 164.2 | 0 | 112 | E108 L128 L129 K130 | E108-K110 WeakPolarHBondContact OE1-CE 3.47Å; E108-K110 IonicContact OE1-NZ 2.96Å; E108-K110 PolarHBondContact OE1-NZ 3.4Å; K110-L128 HydrophobicContact CB-CD1 4.47Å; K110-L129 CarbonylContact C-O 3.56Å; K110-L129 WeakPolarHBondContact CA-O 3.46Å; K110-K130 HydrophobicContact CG-CG 4.17Å |
| 111 | A | 88.2 | Confident | 73.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 147.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D70 F74 L129 | D70-A111 WeakPolarHBondContact OD1-CA 3.35Å; F74-A111 HydrophobicContact CD2-CB 4.01Å; A111-L129 HydrophobicContact CB-CB 4.23Å; A111-L129 HydrophobicContact CB-CD2 4.31Å; A111-L129 PolarHBondContact N-O 3.07Å; A111-L129 WeakPolarHBondContact O-CA 3.46Å; A111-L129 WeakPolarHBondContact O-CB 3.26Å; A111-L129 PolarHBondContact O-N 2.94Å |
| 112 | S | 88.1 | Confident | 74.4 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.3 | 168.5 | -37.9 | 0 | 0 | 0 | 0 | 109.5 | T69 D70 F114 | T69-S112 WeakPolarHBondContact CA-O 3.05Å; T69-S112 WeakPolarHBondContact CB-O 3.45Å; T69-S112 PolarHBondContact OG1-O 3.44Å; D70-S112 VanDerWaalsContact CG-N 3.28Å; D70-S112 PolarHBondContact N-O 3.16Å; D70-S112 PolarHBondContact OD1-N 2.88Å; D70-S112 WeakPolarHBondContact OD2-CB 3.46Å; D70-S112 PolarHBondContact OD2-N 2.92Å; D70-S112 VanDerWaalsContact OD2-N 3.12Å; D70-S112 PolarHBondContact OD2-OG 2.78Å; S112-F114 VanDerWaalsContact CB-CE1 3.49Å; S112-F114 VanDerWaalsContact CB-CZ 3.5Å |
| 113 | I | 87.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.5 | 166.5 | -58.3 | 175.5 | 0 | 0 | 0 | 107.9 | V53 L68 V76 I83 V127 L129 | V53-I113 HydrophobicContact CB-CD1 4.09Å; V53-I113 HydrophobicContact CB-CG2 4.38Å; V53-I113 HydrophobicContact CG1-CG2 4.31Å; V53-I113 HydrophobicContact CG2-CB 4.29Å; V53-I113 HydrophobicContact CG2-CD1 3.98Å; V53-I113 HydrophobicContact CG2-CG2 3.99Å; L68-I113 CarbonylContact O-C 3.58Å; L68-I113 VanDerWaalsContact O-CA 3.27Å; L68-I113 WeakPolarHBondContact O-CA 3.5Å; L68-I113 WeakPolarHBondContact O-CG2 3.37Å; V76-I113 HydrophobicContact CG1-CG2 4.37Å; V76-I113 HydrophobicContact CG2-CD1 4.5Å; V76-I113 HydrophobicContact CG2-CG2 4.26Å; I83-I113 HydrophobicContact CD1-CD1 3.62Å; I83-I113 HydrophobicContact CG1-CD1 3.86Å; I113-V127 HydrophobicContact CB-CB 4.3Å; I113-V127 PolarHBondContact N-O 2.67Å; I113-V127 PolarHBondContact O-N 2.83Å; I113-L129 HydrophobicContact CD1-CB 4.03Å; I113-L129 HydrophobicContact CD1-CD2 4.16Å; I113-L129 HydrophobicContact CG1-CB 4.27Å |
| 114 | F | 85.1 | Confident | 76.4 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 136.9 | 178.7 | -48.5 | -60.1 | 0 | 0 | 0 | 110.5 | L68 D70 S112 F123 | L68-F114 HydrophobicContact CB-CB 4.41Å; L68-F114 PolarHBondContact N-O 3.12Å; L68-F114 PolarHBondContact O-N 2.8Å; D70-F114 HydrophobicContact CB-CE2 4.17Å; D70-F114 HydrophobicContact CB-CZ 4.42Å; S112-F114 VanDerWaalsContact CB-CE1 3.49Å; S112-F114 VanDerWaalsContact CB-CZ 3.5Å; F114-F123 HydrophobicContact CB-CE2 4.41Å; F114-F123 HydrophobicContact CD1-CE2 4.05Å |
| 115 | V | 84 | Confident | 77.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.1 | -178.8 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | L57 M65 F67 A124 A125 V127 | L57-V115 HydrophobicContact CD1-CG2 4.28Å; L57-V115 HydrophobicContact CD2-CG2 4.04Å; M65-V115 HydrophobicContact CB-CG1 3.62Å; M65-V115 HydrophobicContact CG-CG1 4.08Å; M65-V115 HydrophobicContact SD-CG1 3.51Å; M65-V115 VanDerWaalsContact SD-CG1 3.51Å; F67-V115 HydrophobicContact CD1-CG1 4.26Å; F67-V115 HydrophobicContact CD1-CG2 4.05Å; F67-V115 HydrophobicContact CE1-CG1 3.88Å; F67-V115 HydrophobicContact CE1-CG2 4.07Å; V115-A124 HydrophobicContact CG1-CB 4.44Å; V115-A124 WeakPolarHBondContact O-CB 3.12Å; V115-A124 PolarHBondContact O-N 2.87Å; V115-A125 HydrophobicContact CB-CB 4.25Å; V115-A125 HydrophobicContact CG2-CB 4.28Å; V115-A125 PolarHBondContact N-O 2.79Å; V115-A125 PolarHBondContact O-N 3.16Å; V115-V127 HydrophobicContact CG2-CG2 4.38Å |
| 116 | T | 80.2 | Confident | 78.3 | Confident | 30 Ų | 30 | 54 Ų | 54 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.3 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | M65 H66 K118 E122 | M65-T116 CarbonylContact C-O 3.46Å; M65-T116 WeakPolarHBondContact CA-O 3.49Å; M65-T116 WeakPolarHBondContact CB-O 3.46Å; H66-T116 PolarHBondContact N-O 2.85Å; H66-T116 PolarHBondContact O-N 3.03Å; T116-K118 PolarHBondContact O-N 3.32Å; T116-E122 CarbonylContact C-O 3.39Å; T116-E122 WeakPolarHBondContact CA-O 3.34Å |
| 117 | N | 71.7 | Confident | 79 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.2 | 178.7 | -179.8 | -15.6 | 0 | 0 | 0 | 110.6 | A119 A120 G121 E122 | N117-A119 PolarHBondContact O-N 3.24Å; N117-A119 VanDerWaalsContact O-N 3.16Å; N117-A119 PolarHBondContact OD1-N 3.25Å; N117-A120 HydrophobicContact CB-CB 4.31Å; N117-A120 PolarHBondContact O-N 2.81Å; N117-G121 PolarHBondContact O-N 3.42Å; N117-E122 HydrophobicContact CB-CB 4.44Å; N117-E122 PolarHBondContact N-O 2.93Å |
| 118 | K | 65.8 | Low | 79.3 | Confident | 153 Ų | 153 | 52.3 Ų | 52.3 | 67% | 0.665 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.7 | -176.1 | -168 | 174.7 | -179.9 | -179.7 | 0 | 114.1 | Q64 T116 | Q64-K118 VanDerWaalsContact O-CB 3.26Å; Q64-K118 WeakPolarHBondContact O-CB 3.47Å; Q64-K118 PolarHBondContact O-N 2.99Å; T116-K118 PolarHBondContact O-N 3.32Å |
| 119 | A | 64.6 | Low | 79.5 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 74% | 0.744 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -26 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N117 | N117-A119 PolarHBondContact O-N 3.24Å; N117-A119 VanDerWaalsContact O-N 3.16Å; N117-A119 PolarHBondContact OD1-N 3.25Å |
| 120 | A | 65.1 | Low | 79.7 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -17.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N117 E122 | N117-A120 HydrophobicContact CB-CB 4.31Å; N117-A120 PolarHBondContact O-N 2.81Å; A120-E122 HydrophobicContact CB-CB 4.27Å; A120-E122 HydrophobicContact CB-CG 3.8Å; A120-E122 PolarHBondContact O-N 2.85Å |
| 121 | G | 66.4 | Low | 79.8 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 62% | 0.619 | 26% | 0.261 | S | S | * | . | trans | 73.3 | -6.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N117 | N117-G121 PolarHBondContact O-N 3.42Š| ||
| 122 | E | 70.7 | Confident | 79.9 | Confident | 129 Ų | 129 | 46.5 Ų | 46.5 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | trans | -62.5 | 141.5 | -179.8 | -65.9 | 172.3 | 150.8 | 0 | 0 | 112.4 | T116 N117 A120 | T116-E122 CarbonylContact C-O 3.39Å; T116-E122 WeakPolarHBondContact CA-O 3.34Å; N117-E122 HydrophobicContact CB-CB 4.44Å; N117-E122 PolarHBondContact N-O 2.93Å; A120-E122 HydrophobicContact CB-CB 4.27Å; A120-E122 HydrophobicContact CB-CG 3.8Å; A120-E122 PolarHBondContact O-N 2.85Å | ||
| 123 | F | 75.9 | Confident | 80 | Confident | 133 Ų | 133 | 45.6 Ų | 45.6 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.6 | 171.9 | 176.6 | -91.3 | 0 | 0 | 0 | 110.3 | F114 | F114-F123 HydrophobicContact CB-CE2 4.41Å; F114-F123 HydrophobicContact CD1-CE2 4.05Å |
| 124 | A | 73.8 | Confident | 80 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -38.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | M65 V115 | M65-A124 HydrophobicContact CE-CB 3.98Å; M65-A124 HydrophobicContact SD-CB 3.7Å; V115-A124 HydrophobicContact CG1-CB 4.44Å; V115-A124 WeakPolarHBondContact O-CB 3.12Å; V115-A124 PolarHBondContact O-N 2.87Å |
| 125 | A | 78.4 | Confident | 80.1 | Confident | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 157.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I34 L61 V115 | I34-A125 HydrophobicContact CD1-CB 4.21Å; L61-A125 HydrophobicContact CD1-CB 4.2Å; V115-A125 HydrophobicContact CB-CB 4.25Å; V115-A125 HydrophobicContact CG2-CB 4.28Å; V115-A125 PolarHBondContact N-O 2.79Å; V115-A125 PolarHBondContact O-N 3.16Å |
| 126 | S | 82.5 | Confident | 80.4 | Confident | 22 Ų | 22 | 50 Ų | 50 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 144.4 | 153.8 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | E33 | E33-S126 VanDerWaalsContact OE1-CB 3.3Å; E33-S126 WeakPolarHBondContact OE1-CB 3.43Å; E33-S126 PolarHBondContact OE1-OG 3.21Å |
| 127 | V | 86.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.4 | 167 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | I34 L36 V53 L57 I113 V115 L129 | I34-V127 HydrophobicContact CB-CG2 4.11Å; I34-V127 HydrophobicContact CG2-CG1 4.21Å; I34-V127 HydrophobicContact CG2-CG2 4.08Å; I34-V127 CarbonylContact O-C 3.53Å; I34-V127 WeakPolarHBondContact O-CA 3.11Å; I34-V127 VanDerWaalsContact O-CG1 3.29Å; I34-V127 WeakPolarHBondContact O-CG1 3.43Å; L36-V127 HydrophobicContact CB-CG1 3.79Å; V53-V127 HydrophobicContact CG2-CB 3.95Å; V53-V127 HydrophobicContact CG2-CG1 3.87Å; V53-V127 HydrophobicContact CG2-CG2 3.88Å; L57-V127 HydrophobicContact CD2-CG2 3.76Å; L57-V127 HydrophobicContact CG-CG2 4.37Å; I113-V127 HydrophobicContact CB-CB 4.3Å; I113-V127 PolarHBondContact N-O 2.67Å; I113-V127 PolarHBondContact O-N 2.83Å; V115-V127 HydrophobicContact CG2-CG2 4.38Å; V127-L129 PolarHBondContact O-N 3.19Å; V127-L129 VanDerWaalsContact O-N 3.16Å |
| 128 | L | 88.9 | Confident | 81.7 | Confident | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 100.4 | 172.7 | -178.8 | 60.7 | 0 | 0 | 0 | 109.6 | E33 I34 L36 K110 K130 | E33-L128 HydrophobicContact CG-CB 3.91Å; I34-L128 PolarHBondContact O-N 3.01Å; L36-L128 PolarHBondContact N-O 3.25Å; K110-L128 HydrophobicContact CB-CD1 4.47Å; L128-K130 HydrophobicContact CG-CG 4.39Å |
| 129 | L | 91 | Very high | 82.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.7 | 167.5 | 172.9 | 63.1 | 0 | 0 | 0 | 109.4 | L36 L38 F74 I83 K110 A111 I113 V127 V131 | L36-L129 HydrophobicContact CD2-CD1 4.21Å; L36-L129 HydrophobicContact CG-CD1 4.12Å; L36-L129 WeakPolarHBondContact O-CA 3.4Å; L38-L129 HydrophobicContact CB-CD1 4.49Å; L38-L129 HydrophobicContact CD1-CD1 3.79Å; L38-L129 HydrophobicContact CG-CD1 3.99Å; F74-L129 HydrophobicContact CB-CD2 4.12Å; F74-L129 HydrophobicContact CD2-CD2 3.75Å; F74-L129 HydrophobicContact CE2-CD2 4.46Å; F74-L129 HydrophobicContact CG-CD2 3.96Å; I83-L129 HydrophobicContact CD1-CD1 4.14Å; I83-L129 HydrophobicContact CD1-CD2 4.3Å; I83-L129 HydrophobicContact CG2-CD2 3.79Å; K110-L129 CarbonylContact C-O 3.56Å; K110-L129 WeakPolarHBondContact CA-O 3.46Å; A111-L129 HydrophobicContact CB-CB 4.23Å; A111-L129 HydrophobicContact CB-CD2 4.31Å; A111-L129 PolarHBondContact N-O 3.07Å; A111-L129 WeakPolarHBondContact O-CA 3.46Å; A111-L129 WeakPolarHBondContact O-CB 3.26Å; A111-L129 PolarHBondContact O-N 2.94Å; I113-L129 HydrophobicContact CD1-CB 4.03Å; I113-L129 HydrophobicContact CD1-CD2 4.16Å; I113-L129 HydrophobicContact CG1-CB 4.27Å; V127-L129 PolarHBondContact O-N 3.19Å; V127-L129 VanDerWaalsContact O-N 3.16Å; L129-V131 HydrophobicContact CD1-CG2 3.74Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 HydrophobicContact CG-CG2 3.76Å |
| 130 | K | 91.2 | Very high | 84.1 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 12% | 0.122 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.1 | 167.8 | -74.1 | 170 | 171.7 | -176.1 | 0 | 108.5 | E35 L36 R37 L38 E108 L109 K110 L128 | E35-K130 HydrophobicContact CG-CD 3.87Å; E35-K130 IonicContact OE1-NZ 3.1Å; E35-K130 PolarHBondContact OE1-NZ 2.7Å; E35-K130 WeakPolarHBondContact OE2-CE 3.32Å; E35-K130 IonicContact OE2-NZ 3.19Å; E35-K130 PolarHBondContact OE2-NZ 2.74Å; L36-K130 PolarHBondContact O-N 3.42Å; R37-K130 CarbonylContact C-O 3.46Å; R37-K130 WeakPolarHBondContact CA-O 3.25Å; R37-K130 HydrophobicContact CG-CB 4.3Å; L38-K130 PolarHBondContact N-O 2.73Å; E108-K130 HydrophobicContact CG-CB 4Å; E108-K130 HydrophobicContact CG-CG 4.18Å; E108-K130 WeakPolarHBondContact OE1-CD 3.49Å; E108-K130 WeakPolarHBondContact OE1-CE 3.34Å; E108-K130 WeakPolarHBondContact OE2-CD 3.3Å; L109-K130 CarbonylContact O-C 3.6Å; L109-K130 WeakPolarHBondContact O-CA 3.49Å; K110-K130 HydrophobicContact CG-CG 4.17Å; L128-K130 HydrophobicContact CG-CG 4.39Å |
| 131 | V | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 112 | 176.7 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | L38 M40 I50 F74 E108 L109 L129 I133 | L38-V131 HydrophobicContact CB-CG1 4.43Å; L38-V131 HydrophobicContact CB-CG2 4.4Å; L38-V131 WeakPolarHBondContact O-CA 2.93Å; M40-V131 HydrophobicContact CB-CG1 4.35Å; M40-V131 HydrophobicContact CG-CG1 3.66Å; M40-V131 HydrophobicContact SD-CG1 3.96Å; I50-V131 HydrophobicContact CG2-CG1 4.47Å; F74-V131 HydrophobicContact CD1-CG2 4.38Å; F74-V131 HydrophobicContact CD2-CG2 4.15Å; F74-V131 HydrophobicContact CE1-CB 4.14Å; F74-V131 HydrophobicContact CE1-CG1 4.24Å; F74-V131 HydrophobicContact CE1-CG2 3.83Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG2 3.56Å; F74-V131 HydrophobicContact CZ-CB 3.55Å; F74-V131 HydrophobicContact CZ-CG1 4.09Å; F74-V131 HydrophobicContact CZ-CG2 3.4Å; E108-V131 WeakPolarHBondContact CA-O 3.06Å; L109-V131 PolarHBondContact N-O 3.23Å; L109-V131 PolarHBondContact O-N 2.83Å; L129-V131 HydrophobicContact CD1-CG2 3.74Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 HydrophobicContact CG-CG2 3.76Å; V131-I133 HydrophobicContact CB-CD1 4.41Å; V131-I133 HydrophobicContact CG1-CD1 3.98Å |
| 132 | E | 89.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 48 Ų | 48 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.3 | 172.8 | -175.6 | -178.1 | 168.5 | 0 | 0 | 108.6 | L38 R39 M40 C107 | L38-E132 PolarHBondContact O-N 3.2Å; R39-E132 WeakPolarHBondContact CA-O 3.41Å; R39-E132 HydrophobicContact CG-CB 4.2Å; R39-E132 IonicContact CZ-OE1 3.62Å; R39-E132 IonicContact CZ-OE2 3.96Å; R39-E132 IonicContact NE-OE1 3.8Å; R39-E132 IonicContact NE-OE2 2.73Å; R39-E132 PolarHBondContact NE-OE2 3.45Å; R39-E132 IonicContact NH2-OE1 2.79Å; R39-E132 PolarHBondContact NH2-OE1 3.18Å; R39-E132 IonicContact NH2-OE2 3.6Å; R39-E132 PolarHBondContact NH2-OE2 2.72Å; M40-E132 PolarHBondContact N-O 2.71Å; C107-E132 CarbonylContact O-C 3.53Å; C107-E132 WeakPolarHBondContact O-CA 3.48Å |
| 133 | I | 90.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.1 | -180 | -48.8 | -53.8 | 0 | 0 | 0 | 108.3 | M40 E42 I89 R91 C107 L109 V131 | M40-I133 HydrophobicContact CG-CD1 3.51Å; M40-I133 CarbonylContact O-C 3.58Å; M40-I133 WeakPolarHBondContact O-CA 3.43Å; M40-I133 HydrophobicContact SD-CD1 3.9Å; E42-I133 HydrophobicContact CB-CG2 3.87Å; I89-I133 HydrophobicContact CG2-CD1 4.09Å; I89-I133 HydrophobicContact CG2-CG1 4.18Å; I89-I133 HydrophobicContact CG2-CG2 4.03Å; R91-I133 HydrophobicContact CB-CG2 4.12Å; R91-I133 HydrophobicContact CG-CB 4.41Å; R91-I133 HydrophobicContact CG-CG2 4Å; C107-I133 HydrophobicContact CB-CB 4.17Å; C107-I133 PolarHBondContact O-N 2.9Å; L109-I133 HydrophobicContact CD1-CD1 3.98Å; L109-I133 HydrophobicContact CD1-CG1 4.01Å; L109-I133 HydrophobicContact CG-CD1 4.22Å; L109-I133 HydrophobicContact CG-CG1 3.9Å; V131-I133 HydrophobicContact CB-CD1 4.41Å; V131-I133 HydrophobicContact CG1-CD1 3.98Å |
| 134 | Q | 87.8 | Confident | 88.1 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.6 | 178.2 | -55.6 | -169.6 | -90.6 | 0 | 0 | 110.5 | M40 R41 E42 | M40-Q134 PolarHBondContact O-N 2.87Å; R41-Q134 HydrophobicContact CG-CB 4.23Å; E42-Q134 PolarHBondContact N-O 2.92Å |
| 135 | D | 88.4 | Confident | 88.8 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -48.3 | 136.6 | 169.2 | -166.6 | 84 | 0 | 0 | 0 | 111.6 | E42 R91 I172 D173 N176 | E42-D135 WeakPolarHBondContact OE1-CA 3.27Å; R91-D135 IonicContact CZ-OD1 3.59Å; R91-D135 IonicContact NE-OD1 2.69Å; R91-D135 PolarHBondContact NE-OD1 2.84Å; R91-D135 IonicContact NH2-OD1 2.7Å; R91-D135 PolarHBondContact NH2-OD1 2.57Å; D135-I172 HydrophobicContact CB-CG2 4.45Å; D135-I172 WeakPolarHBondContact OD1-CG2 3.45Å; D135-I172 PolarHBondContact OD1-N 2.78Å; D135-D173 HydrophobicContact CB-CB 3.95Å; D135-D173 WeakPolarHBondContact OD2-CB 3.43Å; D135-D173 PolarHBondContact OD2-N 3.39Å; D135-D173 VanDerWaalsContact OD2-N 3.14Å; D135-N176 PolarHBondContact OD2-ND2 2.89Å |
| 136 | Q | 88.7 | Confident | 89.3 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | trans | -122.2 | 145.3 | 167.2 | -62.4 | -66 | -102.1 | 0 | 0 | 109.5 | R41 E42 D138 | R41-Q136 HydrophobicContact CB-CG 4.13Å; R41-Q136 HydrophobicContact CG-CG 4.47Å; E42-Q136 HydrophobicContact CG-CB 4.18Å; E42-Q136 HydrophobicContact CG-CG 3.96Å; E42-Q136 PolarHBondContact OE1-N 2.88Å; Q136-D138 PolarHBondContact O-N 3.1Å | ||
| 137 | N | 90.8 | Very high | 89.8 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -72.4 | 95.8 | 171.4 | 177.1 | -111.9 | 0 | 0 | 0 | 110.3 | D171 N176 D224 | N137-D171 VanDerWaalsContact CA-OD2 3.25Å; N137-D171 WeakPolarHBondContact CA-OD2 3.44Å; N137-D171 PolarHBondContact ND2-OD2 3.15Å; N137-N176 HydrophobicContact CB-CB 3.99Å; N137-N176 PolarHBondContact N-ND2 2.8Å; N137-N176 PolarHBondContact ND2-O 2.99Å; N137-D224 PolarHBondContact ND2-OD2 2.9Å |
| 138 | D | 89.5 | Confident | 90 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | trans | -128.6 | -7.7 | 167.6 | 75.5 | -2.4 | 0 | 0 | 0 | 114.3 | Q136 | Q136-D138 PolarHBondContact O-N 3.1Š| ||
| 139 | N | 89.3 | Confident | 90.2 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -105.1 | 72.4 | 178.9 | -53.8 | -87.5 | 0 | 0 | 0 | 114.1 | A170 D171 | N139-A170 HydrophobicContact CB-CB 3.59Å; N139-D171 WeakPolarHBondContact CB-OD1 3.25Å; N139-D171 PolarHBondContact N-OD1 2.61Å; N139-D171 VanDerWaalsContact N-OD1 3.1Å; N139-D171 PolarHBondContact ND2-OD1 3.02Å |
| 140 | R | 91.7 | Very high | 90.1 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | trans | -41.2 | 151 | 175.2 | 73 | -166.6 | -47.4 | -66.2 | -11.8 | 114.7 | D224 A227 C228 T229 | R140-D224 WeakPolarHBondContact CA-OD2 3.24Å; R140-A227 HydrophobicContact CB-CB 3.62Å; R140-C228 PolarHBondContact NH2-O 2.9Å; R140-T229 PolarHBondContact NH1-OG1 3.22Å | ||
| 141 | P | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -65.4 | 148.1 | -172.2 | -19.8 | 34.6 | 0 | 0 | 0 | 111.9 | A167 I178 A222 D224 T229 | P141-A167 HydrophobicContact CB-CB 4.45Å; P141-I178 HydrophobicContact CB-CD1 4.03Å; P141-I178 HydrophobicContact CB-CG1 4.07Å; P141-I178 HydrophobicContact CG-CG1 4.13Å; P141-A222 HydrophobicContact CB-CB 4.24Å; P141-D224 WeakPolarHBondContact CD-OD2 3.18Å; P141-D224 HydrophobicContact CG-CB 3.89Å; P141-T229 WeakPolarHBondContact O-CB 3.22Å; P141-T229 WeakPolarHBondContact O-CG2 3.35Å; P141-T229 PolarHBondContact O-OG1 2.8Å | ||
| 142 | T | 91.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 133.4 | -175.1 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | A167 T168 | T142-A167 CarbonylContact O-C 3.53Å; T142-A167 VanDerWaalsContact O-CA 3.24Å; T142-A167 WeakPolarHBondContact O-CA 3.49Å; T142-A167 WeakPolarHBondContact O-CB 3.39Å; T142-T168 PolarHBondContact N-O 3.45Å; T142-T168 PolarHBondContact O-N 3.11Å; T142-T168 PolarHBondContact O-OG1 3.34Å; T142-T168 PolarHBondContact OG1-O 3.32Å; T142-T168 PolarHBondContact OG1-OG1 3.23Å; T142-T168 VanDerWaalsContact OG1-OG1 3.08Å |
| 143 | F | 91.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | trans | -94.5 | 147.9 | 165.5 | -68.6 | -78.4 | 0 | 0 | 0 | 109.7 | A145 A167 Y181 L220 A222 T229 Q231 | F143-A145 PolarHBondContact O-N 2.76Å; F143-A167 HydrophobicContact CD1-CB 3.84Å; F143-A167 HydrophobicContact CD2-CB 4.46Å; F143-A167 HydrophobicContact CE1-CB 3.65Å; F143-A167 HydrophobicContact CE2-CB 4.3Å; F143-A167 HydrophobicContact CG-CB 4.25Å; F143-A167 HydrophobicContact CZ-CB 3.9Å; F143-Y181 HydrophobicContact CE1-CE1 4.46Å; F143-Y181 HydrophobicContact CZ-CE1 4.49Å; F143-L220 HydrophobicContact CD1-CD2 4.47Å; F143-L220 HydrophobicContact CE1-CD2 3.5Å; F143-L220 HydrophobicContact CE1-CG 4.07Å; F143-L220 HydrophobicContact CZ-CB 4.48Å; F143-L220 HydrophobicContact CZ-CD2 3.82Å; F143-L220 HydrophobicContact CZ-CG 3.83Å; F143-A222 HydrophobicContact CE2-CB 4.01Å; F143-A222 HydrophobicContact CZ-CB 3.7Å; F143-T229 HydrophobicContact CD2-CG2 4.01Å; F143-T229 HydrophobicContact CE2-CG2 4.48Å; F143-Q231 HydrophobicContact CB-CB 4.07Å; F143-Q231 HydrophobicContact CB-CG 4.46Å; F143-Q231 HydrophobicContact CD1-CB 4.05Å; F143-Q231 HydrophobicContact CD2-CB 3.6Å; F143-Q231 HydrophobicContact CE1-CB 4.38Å; F143-Q231 HydrophobicContact CE2-CB 3.96Å; F143-Q231 HydrophobicContact CG-CB 3.65Å; F143-Q231 HydrophobicContact CG-CG 4.39Å; F143-Q231 HydrophobicContact CZ-CB 4.34Å | ||
| 144 | S | 86.5 | Confident | 90.7 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 70% | 0.699 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.9 | -17.4 | -179.5 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 145 | A | 88.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -150.5 | 156.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F143 S147 Q231 | F143-A145 PolarHBondContact O-N 2.76Å; A145-S147 VanDerWaalsContact C-N 3.26Å; A145-S147 VanDerWaalsContact CB-O 3.3Å; A145-S147 WeakPolarHBondContact CB-O 3.2Å; A145-S147 PolarHBondContact O-N 2.78Å; A145-Q231 PolarHBondContact O-NE2 3.01Å |
| 146 | Q | 88.3 | Confident | 91.1 | Very high | 176 Ų | 176 | 57.6 Ų | 57.6 | 82% | 0.822 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -70.6 | -22.3 | 177.4 | -66.6 | -177.9 | -2.6 | 0 | 0 | 113.1 | Q231 T232 | Q146-Q231 WeakPolarHBondContact O-CA 3.25Å; Q146-T232 PolarHBondContact O-N 3.47Å |
| 147 | S | 92.1 | Very high | 91.3 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.6 | 171.9 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | A145 T232 | A145-S147 VanDerWaalsContact C-N 3.26Å; A145-S147 VanDerWaalsContact CB-O 3.3Å; A145-S147 WeakPolarHBondContact CB-O 3.2Å; A145-S147 PolarHBondContact O-N 2.78Å; S147-T232 CarbonylContact C-O 3.59Å; S147-T232 WeakPolarHBondContact CA-O 2.94Å; S147-T232 WeakPolarHBondContact CB-O 3.27Å |
| 148 | Q | 91.1 | Very high | 91.4 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.9 | 166.8 | 169.6 | 173.6 | -0.6 | 0 | 0 | 108.9 | V150 N165 T232 L233 E234 | Q148-V150 HydrophobicContact CG-CG2 4.27Å; Q148-N165 VanDerWaalsContact OE1-CB 3.26Å; Q148-N165 PolarHBondContact OE1-ND2 2.73Å; Q148-T232 PolarHBondContact N-O 2.92Å; Q148-L233 HydrophobicContact CB-CD2 4.23Å; Q148-L233 HydrophobicContact CG-CD2 4.37Å; Q148-L233 WeakPolarHBondContact O-CA 3.14Å; Q148-E234 PolarHBondContact O-N 2.96Å |
| 149 | T | 92.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.8 | 169.9 | -46.8 | 0 | 0 | 0 | 0 | 110.5 | E234 Q236 | T149-E234 CarbonylContact C-O 3.53Å; T149-E234 VanDerWaalsContact CA-O 3.26Å; T149-E234 WeakPolarHBondContact CA-O 3.06Å; T149-Q236 HydrophobicContact CG2-CG 3.94Å |
| 150 | V | 90.2 | Very high | 91.5 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.2 | 176.1 | 178 | 0 | 0 | 0 | 0 | 107.7 | Q148 L152 I162 I164 L233 E234 I235 Q236 | Q148-V150 HydrophobicContact CG-CG2 4.27Å; V150-L152 HydrophobicContact CG1-CD2 4.41Å; V150-L152 HydrophobicContact CG1-CG 4.44Å; V150-I162 HydrophobicContact CG1-CG2 3.72Å; V150-I164 HydrophobicContact CG2-CG2 4.01Å; V150-L233 HydrophobicContact CG2-CD2 4.44Å; V150-E234 PolarHBondContact N-O 2.91Å; V150-I235 HydrophobicContact CB-CG1 4.4Å; V150-I235 CarbonylContact O-C 3.57Å; V150-I235 VanDerWaalsContact O-CA 3.31Å; V150-I235 WeakPolarHBondContact O-CA 3.27Å; V150-Q236 PolarHBondContact O-N 3.03Å |
| 151 | T | 93.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.6 | 177.6 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | Q236 L238 | T151-Q236 WeakPolarHBondContact CA-O 3.48Å; T151-Q236 HydrophobicContact CG2-CB 4.24Å; T151-L238 HydrophobicContact CG2-CD2 4.39Å |
| 152 | L | 93.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.7 | 178.4 | -58.3 | 173.5 | 0 | 0 | 0 | 109.4 | V150 I162 F190 L208 I235 Q236 I237 L238 | V150-L152 HydrophobicContact CG1-CD2 4.41Å; V150-L152 HydrophobicContact CG1-CG 4.44Å; L152-I162 HydrophobicContact CD1-CD1 3.69Å; L152-I162 HydrophobicContact CD2-CD1 3.59Å; L152-I162 HydrophobicContact CD2-CG1 3.82Å; L152-I162 HydrophobicContact CD2-CG2 4.26Å; L152-I162 HydrophobicContact CG-CD1 4.29Å; L152-F190 HydrophobicContact CD1-CE1 3.6Å; L152-F190 HydrophobicContact CD1-CZ 3.92Å; L152-L208 HydrophobicContact CB-CD1 4.14Å; L152-L208 HydrophobicContact CD1-CD1 4.19Å; L152-I235 HydrophobicContact CD1-CG2 3.61Å; L152-I235 HydrophobicContact CG-CG2 4.14Å; L152-Q236 PolarHBondContact N-O 2.88Å; L152-Q236 VanDerWaalsContact N-O 3.08Å; L152-I237 HydrophobicContact CB-CD1 4.39Å; L152-I237 CarbonylContact O-C 3.54Å; L152-I237 WeakPolarHBondContact O-CA 3.36Å; L152-L238 PolarHBondContact O-N 2.96Å |
| 153 | S | 93 | Very high | 91.2 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 145.5 | 164.7 | 162.7 | 0 | 0 | 0 | 0 | 109.5 | A155 T156 E240 | S153-A155 PolarHBondContact O-N 2.82Å; S153-A155 PolarHBondContact OG-N 3.47Å; S153-T156 PolarHBondContact N-OG1 2.8Å; S153-T156 WeakPolarHBondContact O-CB 3.49Å; S153-T156 PolarHBondContact O-N 2.7Å; S153-T156 PolarHBondContact O-OG1 2.66Å; S153-E240 WeakPolarHBondContact CB-OE1 3.24Å; S153-E240 VanDerWaalsContact OG-CG 3.23Å; S153-E240 WeakPolarHBondContact OG-CG 3.38Å; S153-E240 PolarHBondContact OG-OE1 2.87Å |
| 154 | E | 94.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.065 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.1 | 174.7 | 64.3 | -159.1 | 118.3 | 0 | 0 | 113.6 | T156 L208 D209 R210 I237 L238 D239 E240 | E154-T156 PolarHBondContact O-N 2.62Å; E154-L208 HydrophobicContact CB-CB 3.95Å; E154-D209 WeakPolarHBondContact OE2-CA 3.47Å; E154-R210 WeakPolarHBondContact OE1-CB 3.29Å; E154-R210 VanDerWaalsContact OE2-CB 3.24Å; E154-R210 WeakPolarHBondContact OE2-CB 3.19Å; E154-R210 PolarHBondContact OE2-N 2.74Å; E154-I237 HydrophobicContact CB-CG2 3.77Å; E154-L238 PolarHBondContact N-O 3.14Å; E154-L238 VanDerWaalsContact N-O 3.08Å; E154-D239 WeakPolarHBondContact OE1-CA 3.22Å; E154-E240 HydrophobicContact CG-CB 4.11Å; E154-E240 HydrophobicContact CG-CG 4.1Å; E154-E240 PolarHBondContact OE1-N 3.45Å |
| 155 | A | 91.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 57 Ų | 57 | 60% | 0.603 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 4.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114 | S153 T157 E240 | S153-A155 PolarHBondContact O-N 2.82Å; S153-A155 PolarHBondContact OG-N 3.47Å; A155-T157 PolarHBondContact O-N 3.47Å; A155-E240 HydrophobicContact CB-CG 4.11Å |
| 156 | T | 92.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 122.2 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | S153 E154 T160 L204 | S153-T156 PolarHBondContact N-OG1 2.8Å; S153-T156 WeakPolarHBondContact O-CB 3.49Å; S153-T156 PolarHBondContact O-N 2.7Å; S153-T156 PolarHBondContact O-OG1 2.66Å; E154-T156 PolarHBondContact O-N 2.62Å; T156-T160 HydrophobicContact CG2-CG2 3.8Å; T156-L204 HydrophobicContact CG2-CD2 3.8Å; T156-L204 WeakPolarHBondContact O-CD2 3.36Å |
| 157 | T | 92.4 | Very high | 91.2 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 63% | 0.632 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 140.5 | -176.2 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | A155 G159 T160 | A155-T157 PolarHBondContact O-N 3.47Å; T157-G159 PolarHBondContact O-N 3.49Å; T157-T160 VanDerWaalsContact O-CB 3.28Å; T157-T160 WeakPolarHBondContact O-CB 3.2Å; T157-T160 PolarHBondContact O-N 2.85Å; T157-T160 VanDerWaalsContact O-N 3.1Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T157-T160 PolarHBondContact OG1-OG1 2.83Å |
| 158 | V | 92.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.8 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | L204 P207 | V158-L204 WeakPolarHBondContact CG1-O 3.36Å; V158-P207 HydrophobicContact CG2-CB 4.47Å |
| 159 | G | 90.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T157 L161 L204 | T157-G159 PolarHBondContact O-N 3.49Å; G159-L161 PolarHBondContact O-N 2.78Å; G159-L204 PolarHBondContact N-O 2.6Å |
| 160 | T | 91.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | trans | -61.6 | 132.9 | 173.1 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | T156 T157 I162 L204 | T156-T160 HydrophobicContact CG2-CG2 3.8Å; T157-T160 VanDerWaalsContact O-CB 3.28Å; T157-T160 WeakPolarHBondContact O-CB 3.2Å; T157-T160 PolarHBondContact O-N 2.85Å; T157-T160 VanDerWaalsContact O-N 3.1Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T157-T160 PolarHBondContact OG1-OG1 2.83Å; T160-I162 HydrophobicContact CG2-CG1 4.21Å; T160-L204 PolarHBondContact O-N 2.79Å; T160-L204 VanDerWaalsContact O-N 3.09Å | ||
| 161 | L | 91 | Very high | 90.7 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.1 | 177.6 | -64 | 177.3 | 0 | 0 | 0 | 110.6 | G159 D193 L202 E203 | G159-L161 PolarHBondContact O-N 2.78Å; L161-D193 HydrophobicContact CD2-CB 4.13Å; L161-L202 CarbonylContact C-O 3.6Å; L161-L202 WeakPolarHBondContact CA-O 3.42Å; L161-E203 HydrophobicContact CD2-CB 3.8Å; L161-E203 HydrophobicContact CD2-CG 4.01Å |
| 162 | I | 90 | Very high | 90 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116 | -169.7 | -52.2 | 148.2 | 0 | 0 | 0 | 108.7 | V150 L152 T160 F190 R201 L202 | V150-I162 HydrophobicContact CG1-CG2 3.72Å; L152-I162 HydrophobicContact CD1-CD1 3.69Å; L152-I162 HydrophobicContact CD2-CD1 3.59Å; L152-I162 HydrophobicContact CD2-CG1 3.82Å; L152-I162 HydrophobicContact CD2-CG2 4.26Å; L152-I162 HydrophobicContact CG-CD1 4.29Å; T160-I162 HydrophobicContact CG2-CG1 4.21Å; I162-F190 HydrophobicContact CD1-CE1 4.42Å; I162-R201 CarbonylContact O-C 3.51Å; I162-R201 VanDerWaalsContact O-CA 3.24Å; I162-R201 WeakPolarHBondContact O-CA 3.29Å; I162-L202 HydrophobicContact CB-CB 4.31Å; I162-L202 HydrophobicContact CD1-CB 4.35Å; I162-L202 PolarHBondContact N-O 3.22Å; I162-L202 PolarHBondContact O-N 3.29Å |
| 163 | S | 87.6 | Confident | 89.4 | Confident | 92 Ų | 92 | 46.2 Ų | 46.2 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 133.1 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 164 | I | 89.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.6 | 176 | 50.7 | 167.2 | 0 | 0 | 0 | 110.8 | V150 A166 L192 V200 L202 L220 L233 | V150-I164 HydrophobicContact CG2-CG2 4.01Å; I164-A166 PolarHBondContact O-N 2.82Å; I164-L192 HydrophobicContact CD1-CD1 4.03Å; I164-V200 HydrophobicContact CD1-CG1 3.86Å; I164-V200 HydrophobicContact CG1-CB 4.27Å; I164-V200 HydrophobicContact CG1-CG1 4.03Å; I164-V200 WeakPolarHBondContact CG1-O 3.28Å; I164-V200 PolarHBondContact N-O 2.65Å; I164-V200 VanDerWaalsContact N-O 3.13Å; I164-L202 HydrophobicContact CD1-CD1 4.46Å; I164-L202 HydrophobicContact CD1-CD2 4.28Å; I164-L202 HydrophobicContact CD1-CG 3.97Å; I164-L202 HydrophobicContact CG2-CD1 3.89Å; I164-L202 HydrophobicContact CG2-CG 4.22Å; I164-L220 HydrophobicContact CD1-CD1 4.13Å; I164-L220 HydrophobicContact CD1-CD2 3.92Å; I164-L233 HydrophobicContact CB-CD2 4.48Å; I164-L233 HydrophobicContact CD1-CD1 4.12Å; I164-L233 HydrophobicContact CG2-CD2 4.04Å |
| 165 | N | 88.5 | Confident | 88.5 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 117.3 | -176.4 | -64.8 | -33.4 | 0 | 0 | 0 | 109.9 | Q148 | Q148-N165 VanDerWaalsContact OE1-CB 3.26Å; Q148-N165 PolarHBondContact OE1-ND2 2.73Å |
| 166 | A | 88.3 | Confident | 88.3 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 156.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I164 V200 | I164-A166 PolarHBondContact O-N 2.82Å; A166-V200 HydrophobicContact CB-CG2 4.03Å |
| 167 | A | 89.8 | Confident | 88 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 150.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P141 T142 F143 I178 Y181 A222 | P141-A167 HydrophobicContact CB-CB 4.45Å; T142-A167 CarbonylContact O-C 3.53Å; T142-A167 VanDerWaalsContact O-CA 3.24Å; T142-A167 WeakPolarHBondContact O-CA 3.49Å; T142-A167 WeakPolarHBondContact O-CB 3.39Å; F143-A167 HydrophobicContact CD1-CB 3.84Å; F143-A167 HydrophobicContact CD2-CB 4.46Å; F143-A167 HydrophobicContact CE1-CB 3.65Å; F143-A167 HydrophobicContact CE2-CB 4.3Å; F143-A167 HydrophobicContact CG-CB 4.25Å; F143-A167 HydrophobicContact CZ-CB 3.9Å; A167-I178 HydrophobicContact CB-CD1 3.77Å; A167-I178 WeakPolarHBondContact O-CD1 3.24Å; A167-Y181 HydrophobicContact CB-CE1 4.04Å; A167-Y181 PolarHBondContact N-OH 3.09Å; A167-Y181 PolarHBondContact O-OH 3.45Å; A167-A222 HydrophobicContact CB-CB 3.54Å |
| 168 | T | 88.8 | Confident | 87.9 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | B | Isolated β-bridge | trans | -106.5 | 146.5 | 172.9 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | T142 | T142-T168 PolarHBondContact N-O 3.45Å; T142-T168 PolarHBondContact O-N 3.11Å; T142-T168 PolarHBondContact O-OG1 3.34Å; T142-T168 PolarHBondContact OG1-O 3.32Å; T142-T168 PolarHBondContact OG1-OG1 3.23Å; T142-T168 VanDerWaalsContact OG1-OG1 3.08Å |
| 169 | D | 90.2 | Very high | 87.6 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | trans | -131.7 | 144.9 | -177.1 | -165.3 | -34.4 | 0 | 0 | 0 | 107.4 | D171 Q177 I178 | D169-D171 PolarHBondContact OD1-N 2.03Å; D169-D171 VanDerWaalsContact OD1-N 3.16Å; D169-Q177 WeakPolarHBondContact OD2-CA 3.29Å; D169-I178 HydrophobicContact CB-CD1 4.03Å; D169-I178 HydrophobicContact CB-CG1 3.69Å; D169-I178 VanDerWaalsContact OD2-CG1 3.25Å; D169-I178 WeakPolarHBondContact OD2-CG1 3.36Å; D169-I178 PolarHBondContact OD2-N 2.95Å | ||
| 170 | A | 86 | Confident | 87.4 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | trans | -101.5 | -26.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E92 N139 | E92-A170 HydrophobicContact CG-CB 4.05Å; N139-A170 HydrophobicContact CB-CB 3.59Å | ||
| 171 | D | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -55.9 | 150.5 | 172.1 | -58.5 | -11.8 | 0 | 0 | 0 | 109.4 | N137 N139 D169 N176 Q177 | N137-D171 VanDerWaalsContact CA-OD2 3.25Å; N137-D171 WeakPolarHBondContact CA-OD2 3.44Å; N137-D171 PolarHBondContact ND2-OD2 3.15Å; N139-D171 WeakPolarHBondContact CB-OD1 3.25Å; N139-D171 PolarHBondContact N-OD1 2.61Å; N139-D171 VanDerWaalsContact N-OD1 3.1Å; N139-D171 PolarHBondContact ND2-OD1 3.02Å; D169-D171 PolarHBondContact OD1-N 2.03Å; D169-D171 VanDerWaalsContact OD1-N 3.16Å; D171-N176 HydrophobicContact CB-CB 3.98Å; D171-Q177 WeakPolarHBondContact O-CG 3.42Å; D171-Q177 PolarHBondContact O-NE2 2.84Å | ||
| 172 | I | 78.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | trans | -115.4 | -18.1 | -176.3 | -150.3 | 167.6 | 0 | 0 | 0 | 113.7 | K99 I105 D135 P174 | K99-I172 HydrophobicContact CG-CD1 4.49Å; I105-I172 HydrophobicContact CG2-CG1 4.35Å; I105-I172 HydrophobicContact CG2-CG2 3.6Å; D135-I172 HydrophobicContact CB-CG2 4.45Å; D135-I172 WeakPolarHBondContact OD1-CG2 3.45Å; D135-I172 PolarHBondContact OD1-N 2.78Å; I172-P174 WeakPolarHBondContact O-CD 3.23Å | ||
| 173 | D | 80.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -72.3 | 126.1 | 176.2 | -160.4 | -51.1 | 0 | 0 | 0 | 109.4 | D135 E175 N176 Q177 | D135-D173 HydrophobicContact CB-CB 3.95Å; D135-D173 WeakPolarHBondContact OD2-CB 3.43Å; D135-D173 PolarHBondContact OD2-N 3.39Å; D135-D173 VanDerWaalsContact OD2-N 3.14Å; D173-E175 PolarHBondContact O-N 3.25Å; D173-E175 VanDerWaalsContact O-N 3.07Å; D173-E175 PolarHBondContact OD1-N 2.79Å; D173-N176 HydrophobicContact CB-CB 4.26Å; D173-N176 PolarHBondContact O-N 2.83Å; D173-Q177 PolarHBondContact O-N 3.31Å |
| 174 | P | 82.7 | Confident | 87 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -14.1 | 175.4 | -24.9 | 35.8 | 0 | 0 | 0 | 114.6 | I105 I172 Q179 | I105-P174 HydrophobicContact CD1-CG 4.26Å; I172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-Q179 PolarHBondContact O-NE2 2.97Å |
| 175 | E | 85.6 | Confident | 86.1 | Confident | 152 Ų | 152 | 57.2 Ų | 57.2 | 71% | 0.71 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -36.6 | 167.3 | -65.7 | -168.1 | 180 | 0 | 0 | 112.2 | D173 Q179 P225 | D173-E175 PolarHBondContact O-N 3.25Å; D173-E175 VanDerWaalsContact O-N 3.07Å; D173-E175 PolarHBondContact OD1-N 2.79Å; E175-Q179 PolarHBondContact O-NE2 3.38Å; E175-P225 WeakPolarHBondContact O-CG 3.43Å |
| 176 | N | 88.2 | Confident | 85.1 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -25.9 | -178.2 | -68.6 | -25.4 | 0 | 0 | 0 | 113.7 | D135 N137 D171 D173 D224 P225 | D135-N176 PolarHBondContact OD2-ND2 2.89Å; N137-N176 HydrophobicContact CB-CB 3.99Å; N137-N176 PolarHBondContact N-ND2 2.8Å; N137-N176 PolarHBondContact ND2-O 2.99Å; D171-N176 HydrophobicContact CB-CB 3.98Å; D173-N176 HydrophobicContact CB-CB 4.26Å; D173-N176 PolarHBondContact O-N 2.83Å; N176-D224 WeakPolarHBondContact O-CB 3.14Å; N176-P225 WeakPolarHBondContact O-CD 3.41Å |
| 177 | Q | 86.5 | Confident | 84.3 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -68 | 164.4 | -179.9 | -74.7 | -175.5 | -10.7 | 0 | 0 | 114.7 | D169 D171 D173 Q179 | D169-Q177 WeakPolarHBondContact OD2-CA 3.29Å; D171-Q177 WeakPolarHBondContact O-CG 3.42Å; D171-Q177 PolarHBondContact O-NE2 2.84Å; D173-Q177 PolarHBondContact O-N 3.31Å; Q177-Q179 WeakPolarHBondContact O-CG 3.44Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q177-Q179 PolarHBondContact O-NE2 3.36Å |
| 178 | I | 88.9 | Confident | 83.9 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | trans | -39 | 104.6 | 172.8 | -42.1 | -176.1 | 0 | 0 | 0 | 113.5 | P141 A167 D169 Y181 A222 C223 | P141-I178 HydrophobicContact CB-CD1 4.03Å; P141-I178 HydrophobicContact CB-CG1 4.07Å; P141-I178 HydrophobicContact CG-CG1 4.13Å; A167-I178 HydrophobicContact CB-CD1 3.77Å; A167-I178 WeakPolarHBondContact O-CD1 3.24Å; D169-I178 HydrophobicContact CB-CD1 4.03Å; D169-I178 HydrophobicContact CB-CG1 3.69Å; D169-I178 VanDerWaalsContact OD2-CG1 3.25Å; D169-I178 WeakPolarHBondContact OD2-CG1 3.36Å; D169-I178 PolarHBondContact OD2-N 2.95Å; I178-Y181 WeakPolarHBondContact CD1-OH 3.45Å; I178-Y181 HydrophobicContact CG2-CD2 4.35Å; I178-Y181 HydrophobicContact CG2-CE2 3.9Å; I178-A222 HydrophobicContact CG2-CB 4.2Å; I178-C223 CarbonylContact C-O 3.44Å; I178-C223 WeakPolarHBondContact CA-O 3.24Å; I178-C223 WeakPolarHBondContact CG2-O 3.42Å | ||
| 179 | Q | 86.3 | Confident | 83.9 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | trans | -86.9 | -24.7 | 179.1 | -61.9 | -59.6 | -22.7 | 0 | 0 | 113.3 | P174 E175 Q177 C223 P225 | P174-Q179 PolarHBondContact O-NE2 2.97Å; E175-Q179 PolarHBondContact O-NE2 3.38Å; Q177-Q179 WeakPolarHBondContact O-CG 3.44Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q177-Q179 PolarHBondContact O-NE2 3.36Å; Q179-C223 PolarHBondContact N-O 3.49Å; Q179-P225 HydrophobicContact CG-CG 4.2Å | ||
| 180 | R | 88.2 | Confident | 83.9 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.6 | -174 | -169.1 | -178.4 | 75 | -136.3 | -1.1 | 113.2 | T182 E221 C223 | R180-T182 HydrophobicContact CG-CG2 4.44Å; R180-T182 PolarHBondContact NE-OG1 2.68Å; R180-E221 IonicContact NH2-OE2 2.7Å; R180-C223 PolarHBondContact N-O 2.71Å; R180-C223 VanDerWaalsContact N-O 3.12Å; R180-C223 PolarHBondContact NH2-SG 2.67Å; R180-C223 PolarHBondContact O-N 3.1Å |
| 181 | Y | 91.2 | Very high | 84.1 | Confident | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.4 | 157.5 | -70.6 | -90.2 | 0 | 0 | 0 | 110.8 | F143 A167 I178 L194 L197 V200 E221 A222 | F143-Y181 HydrophobicContact CE1-CE1 4.46Å; F143-Y181 HydrophobicContact CZ-CE1 4.49Å; A167-Y181 HydrophobicContact CB-CE1 4.04Å; A167-Y181 PolarHBondContact N-OH 3.09Å; A167-Y181 PolarHBondContact O-OH 3.45Å; I178-Y181 WeakPolarHBondContact CD1-OH 3.45Å; I178-Y181 HydrophobicContact CG2-CD2 4.35Å; I178-Y181 HydrophobicContact CG2-CE2 3.9Å; Y181-L194 HydrophobicContact CD2-CD2 4.24Å; Y181-L194 HydrophobicContact CG-CD2 4.42Å; Y181-L197 HydrophobicContact CD2-CD2 4.35Å; Y181-L197 HydrophobicContact CE2-CD2 4.24Å; Y181-V200 HydrophobicContact CD1-CG2 4.23Å; Y181-V200 HydrophobicContact CD2-CG2 3.97Å; Y181-V200 HydrophobicContact CE1-CG2 4.08Å; Y181-V200 HydrophobicContact CE2-CG2 3.83Å; Y181-V200 HydrophobicContact CG-CG2 4.17Å; Y181-E221 CarbonylContact C-O 3.28Å; Y181-E221 VanDerWaalsContact CA-O 3.26Å; Y181-E221 WeakPolarHBondContact CA-O 3.3Å; Y181-A222 HydrophobicContact CD1-CB 3.81Å; Y181-A222 HydrophobicContact CE1-CB 3.57Å |
| 182 | T | 88.8 | Confident | 84.1 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.5 | -179.4 | 9.3 | 0 | 0 | 0 | 0 | 111.2 | R180 E221 | R180-T182 HydrophobicContact CG-CG2 4.44Å; R180-T182 PolarHBondContact NE-OG1 2.68Å; T182-E221 PolarHBondContact N-O 3.13Å; T182-E221 WeakPolarHBondContact O-CB 3.24Å; T182-E221 PolarHBondContact O-N 3.3Å; T182-E221 PolarHBondContact OG1-OE2 2.77Å |
| 183 | L | 89.4 | Confident | 84.5 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 97.6 | 169.7 | -164 | 72.7 | 0 | 0 | 0 | 108.3 | H186 L202 A218 L233 | L183-H186 HydrophobicContact CD2-CB 4.31Å; L183-H186 PolarHBondContact O-ND1 3.43Å; L183-L202 HydrophobicContact CD2-CD2 4.48Å; L183-A218 HydrophobicContact CD1-CB 3.92Å; L183-A218 HydrophobicContact CG-CB 4.33Å; L183-L233 HydrophobicContact CD1-CD1 3.93Å |
| 184 | V | 80.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -69.2 | -45 | -168 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | H186 S219 E221 | V184-H186 PolarHBondContact O-ND1 2.94Å; V184-S219 PolarHBondContact N-O 3.22Å; V184-E221 HydrophobicContact CG2-CB 3.59Å; V184-E221 HydrophobicContact CG2-CG 4.27Å |
| 185 | E | 72 | Confident | 84.7 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -105.4 | 73 | -178.5 | -68.8 | 166.7 | -175.3 | 0 | 0 | 108.6 | T187 A218 | E185-T187 PolarHBondContact O-N 3.31Å; E185-A218 VanDerWaalsContact O-CB 3.27Å; E185-A218 WeakPolarHBondContact O-CB 3.46Å |
| 186 | H | 67.1 | Low | 84 | Confident | 134 Ų | 134 | 56.4 Ų | 56.4 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | trans | -80.2 | 113.9 | -177.2 | 43.7 | -90.1 | 0 | 0 | 0 | 111.2 | L183 V184 G188 | L183-H186 HydrophobicContact CD2-CB 4.31Å; L183-H186 PolarHBondContact O-ND1 3.43Å; V184-H186 PolarHBondContact O-ND1 2.94Å; H186-G188 PolarHBondContact O-N 3.35Å | ||
| 187 | T | 71.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | trans | -71.9 | -10.4 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | E185 T189 Y216 | E185-T187 PolarHBondContact O-N 3.31Å; T187-T189 PolarHBondContact O-N 3.08Å; T187-T189 PolarHBondContact OG1-N 3.43Å; T187-Y216 HydrophobicContact CG2-CD1 3.96Å | ||
| 188 | G | 80.9 | Confident | 82.4 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 77.9 | -5.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H186 R206 | H186-G188 PolarHBondContact O-N 3.35Å; G188-R206 PolarHBondContact O-NE 3.08Å |
| 189 | T | 89.3 | Confident | 82 | Confident | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -87.3 | -33.8 | 170.9 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | T187 L204 L205 R206 L208 Y216 | T187-T189 PolarHBondContact O-N 3.08Å; T187-T189 PolarHBondContact OG1-N 3.43Å; T189-L204 HydrophobicContact CG2-CD1 3.78Å; T189-L205 PolarHBondContact O-N 3.47Å; T189-R206 HydrophobicContact CG2-CB 4.44Å; T189-L208 HydrophobicContact CG2-CD2 3.75Å; T189-Y216 HydrophobicContact CG2-CE1 4.49Å; T189-Y216 HydrophobicContact CG2-CE2 4.37Å; T189-Y216 WeakPolarHBondContact OG1-CE1 3.24Å |
| 190 | F | 90.2 | Very high | 82.1 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.7 | -177.3 | -54.7 | -81.5 | 0 | 0 | 0 | 112.3 | L152 I162 L202 E203 L204 L208 Y216 I235 | L152-F190 HydrophobicContact CD1-CE1 3.6Å; L152-F190 HydrophobicContact CD1-CZ 3.92Å; I162-F190 HydrophobicContact CD1-CE1 4.42Å; F190-L202 HydrophobicContact CB-CD2 4.46Å; F190-E203 WeakPolarHBondContact CA-O 3.28Å; F190-L204 HydrophobicContact CD1-CD1 4.04Å; F190-L204 HydrophobicContact CE1-CD1 3.59Å; F190-L204 HydrophobicContact CZ-CD1 4.16Å; F190-L208 HydrophobicContact CZ-CD2 4.05Å; F190-Y216 HydrophobicContact CE2-CD1 4.44Å; F190-Y216 AromaticContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CE2 4.36Å; F190-Y216 AromaticContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CZ-CD2 4.25Å; F190-I235 HydrophobicContact CD1-CD1 4.22Å; F190-I235 HydrophobicContact CD2-CD1 3.62Å; F190-I235 HydrophobicContact CE1-CD1 4.19Å; F190-I235 HydrophobicContact CE1-CG2 4.31Å; F190-I235 HydrophobicContact CE2-CB 4.49Å; F190-I235 HydrophobicContact CE2-CD1 3.61Å; F190-I235 HydrophobicContact CE2-CG2 4.27Å; F190-I235 HydrophobicContact CG-CD1 3.96Å; F190-I235 HydrophobicContact CZ-CB 4.46Å; F190-I235 HydrophobicContact CZ-CD1 3.91Å; F190-I235 HydrophobicContact CZ-CG2 3.76Å |
| 191 | K | 89.6 | Confident | 82.2 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152 | 172.3 | 159 | 169.9 | 168.8 | -88.2 | 0 | 110 | L202 E203 L205 | K191-L202 CarbonylContact O-C 3.56Å; K191-L202 WeakPolarHBondContact O-CA 3.47Å; K191-E203 HydrophobicContact CB-CB 4.45Å; K191-E203 WeakPolarHBondContact CD-OE2 3.4Å; K191-E203 PolarHBondContact N-O 3.16Å; K191-E203 IonicContact NZ-OE1 3.93Å; K191-E203 IonicContact NZ-OE2 3.67Å; K191-E203 PolarHBondContact NZ-OE2 3.05Å; K191-E203 PolarHBondContact O-N 3.35Å; K191-L205 HydrophobicContact CB-CD1 3.56Å; K191-L205 HydrophobicContact CB-CD2 4.29Å; K191-L205 HydrophobicContact CB-CG 3.89Å; K191-L205 HydrophobicContact CD-CD1 4.19Å; K191-L205 HydrophobicContact CD-CD2 4.44Å |
| 192 | L | 89.8 | Confident | 82.2 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.3 | 173.6 | -152.3 | 74.1 | 0 | 0 | 0 | 110.3 | I164 L194 V200 L202 L220 | I164-L192 HydrophobicContact CD1-CD1 4.03Å; L192-L194 HydrophobicContact CD2-CD1 4.24Å; L192-L194 HydrophobicContact CD2-CD2 3.83Å; L192-L194 HydrophobicContact CD2-CG 4.1Å; L192-L194 HydrophobicContact CG-CD2 4.21Å; L192-L194 HydrophobicContact CG-CG 4.4Å; L192-V200 HydrophobicContact CD1-CG1 3.72Å; L192-V200 HydrophobicContact CD2-CG1 4.16Å; L192-V200 HydrophobicContact CG-CG1 4.02Å; L192-L202 HydrophobicContact CD1-CD2 3.97Å; L192-L220 HydrophobicContact CD1-CD1 3.89Å; L192-L220 HydrophobicContact CD2-CD1 4.41Å |
| 193 | D | 87.7 | Confident | 82.3 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.3 | 167.8 | 167.8 | 43.1 | 0 | 0 | 0 | 110 | L161 S195 R201 | L161-D193 HydrophobicContact CD2-CB 4.13Å; D193-S195 VanDerWaalsContact CG-OG 3.27Å; D193-S195 VanDerWaalsContact OD1-CB 3.23Å; D193-S195 WeakPolarHBondContact OD1-CB 2.87Å; D193-S195 PolarHBondContact OD1-N 2.88Å; D193-S195 PolarHBondContact OD1-OG 2.82Å; D193-S195 PolarHBondContact OD2-OG 2.83Å; D193-S195 VanDerWaalsContact OD2-OG 3.14Å; D193-R201 HydrophobicContact CB-CB 4.19Å; D193-R201 PolarHBondContact N-O 3.34Å; D193-R201 PolarHBondContact O-N 2.64Å; D193-R201 VanDerWaalsContact O-N 3.11Å; D193-R201 IonicContact OD2-CZ 3.44Å; D193-R201 IonicContact OD2-NE 2.77Å; D193-R201 PolarHBondContact OD2-NE 3.41Å; D193-R201 IonicContact OD2-NH2 2.84Å; D193-R201 PolarHBondContact OD2-NH2 3.32Å |
| 194 | L | 85.2 | Confident | 82.5 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | -119.5 | 12.1 | -179.3 | -62.5 | 178.2 | 0 | 0 | 0 | 112.4 | Y181 L192 G196 L197 V200 | Y181-L194 HydrophobicContact CD2-CD2 4.24Å; Y181-L194 HydrophobicContact CG-CD2 4.42Å; L192-L194 HydrophobicContact CD2-CD1 4.24Å; L192-L194 HydrophobicContact CD2-CD2 3.83Å; L192-L194 HydrophobicContact CD2-CG 4.1Å; L192-L194 HydrophobicContact CG-CD2 4.21Å; L192-L194 HydrophobicContact CG-CG 4.4Å; L194-G196 PolarHBondContact O-N 3.42Å; L194-G196 VanDerWaalsContact O-N 3.13Å; L194-L197 HydrophobicContact CB-CG 4.46Å; L194-L197 HydrophobicContact CD2-CD2 4.3Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 3.96Å; L194-V200 HydrophobicContact CD2-CG2 4.12Å | ||
| 195 | S | 81.4 | Confident | 83 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.4 | 177.9 | 60 | 0 | 0 | 0 | 0 | 114.2 | D193 R201 | D193-S195 VanDerWaalsContact CG-OG 3.27Å; D193-S195 VanDerWaalsContact OD1-CB 3.23Å; D193-S195 WeakPolarHBondContact OD1-CB 2.87Å; D193-S195 PolarHBondContact OD1-N 2.88Å; D193-S195 PolarHBondContact OD1-OG 2.82Å; D193-S195 PolarHBondContact OD2-OG 2.83Å; D193-S195 VanDerWaalsContact OD2-OG 3.14Å; S195-R201 PolarHBondContact OG-NH2 2.95Å |
| 196 | G | 70.6 | Confident | 83.9 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 22.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L194 T199 | L194-G196 PolarHBondContact O-N 3.42Å; L194-G196 VanDerWaalsContact O-N 3.13Å; G196-T199 CarbonylContact C-O 3.57Å; G196-T199 WeakPolarHBondContact O-CA 3Å; G196-T199 WeakPolarHBondContact O-CB 3.11Å; G196-T199 PolarHBondContact O-N 2.84Å; G196-T199 PolarHBondContact O-OG1 3.24Å |
| 197 | L | 69.7 | Low | 85 | Confident | 105 Ų | 105 | 55 Ų | 55 | 55% | 0.55 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 132.9 | 179.1 | -77.6 | 169.6 | 0 | 0 | 0 | 111.6 | Y181 L194 T199 | Y181-L197 HydrophobicContact CD2-CD2 4.35Å; Y181-L197 HydrophobicContact CE2-CD2 4.24Å; L194-L197 HydrophobicContact CB-CG 4.46Å; L194-L197 HydrophobicContact CD2-CD2 4.3Å; L197-T199 PolarHBondContact N-O 2.84Å |
| 198 | P | 71.1 | Confident | 86 | Confident | 113 Ų | 113 | 53 Ų | 53 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -81.1 | 0.7 | 12.9 | 33.5 | -38 | 0 | 0 | 0 | 115.9 | ||
| 199 | T | 81 | Confident | 86.7 | Confident | 73 Ų | 73 | 54.1 Ų | 54.1 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -76.8 | 138.3 | 173.8 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | G196 L197 | G196-T199 CarbonylContact C-O 3.57Å; G196-T199 WeakPolarHBondContact O-CA 3Å; G196-T199 WeakPolarHBondContact O-CB 3.11Å; G196-T199 PolarHBondContact O-N 2.84Å; G196-T199 PolarHBondContact O-OG1 3.24Å; L197-T199 PolarHBondContact N-O 2.84Å |
| 200 | V | 88.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.6 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | I164 A166 Y181 L192 L194 | I164-V200 HydrophobicContact CD1-CG1 3.86Å; I164-V200 HydrophobicContact CG1-CB 4.27Å; I164-V200 HydrophobicContact CG1-CG1 4.03Å; I164-V200 WeakPolarHBondContact CG1-O 3.28Å; I164-V200 PolarHBondContact N-O 2.65Å; I164-V200 VanDerWaalsContact N-O 3.13Å; A166-V200 HydrophobicContact CB-CG2 4.03Å; Y181-V200 HydrophobicContact CD1-CG2 4.23Å; Y181-V200 HydrophobicContact CD2-CG2 3.97Å; Y181-V200 HydrophobicContact CE1-CG2 4.08Å; Y181-V200 HydrophobicContact CE2-CG2 3.83Å; Y181-V200 HydrophobicContact CG-CG2 4.17Å; L192-V200 HydrophobicContact CD1-CG1 3.72Å; L192-V200 HydrophobicContact CD2-CG1 4.16Å; L192-V200 HydrophobicContact CG-CG1 4.02Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 3.96Å; L194-V200 HydrophobicContact CD2-CG2 4.12Å |
| 201 | R | 91 | Very high | 87 | Confident | 58 Ų | 58 | 58 Ų | 58 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.7 | -176.2 | -59.9 | -173.7 | -67.9 | -135.7 | -1.3 | 111.8 | I162 D193 S195 | I162-R201 CarbonylContact O-C 3.51Å; I162-R201 VanDerWaalsContact O-CA 3.24Å; I162-R201 WeakPolarHBondContact O-CA 3.29Å; D193-R201 HydrophobicContact CB-CB 4.19Å; D193-R201 PolarHBondContact N-O 3.34Å; D193-R201 PolarHBondContact O-N 2.64Å; D193-R201 VanDerWaalsContact O-N 3.11Å; D193-R201 IonicContact OD2-CZ 3.44Å; D193-R201 IonicContact OD2-NE 2.77Å; D193-R201 PolarHBondContact OD2-NE 3.41Å; D193-R201 IonicContact OD2-NH2 2.84Å; D193-R201 PolarHBondContact OD2-NH2 3.32Å; S195-R201 PolarHBondContact OG-NH2 2.95Å |
| 202 | L | 90.2 | Very high | 87 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.7 | 165.4 | -64.3 | 167.6 | 0 | 0 | 0 | 109.6 | L161 I162 I164 L183 F190 K191 L192 L233 I235 | L161-L202 CarbonylContact C-O 3.6Å; L161-L202 WeakPolarHBondContact CA-O 3.42Å; I162-L202 HydrophobicContact CB-CB 4.31Å; I162-L202 HydrophobicContact CD1-CB 4.35Å; I162-L202 PolarHBondContact N-O 3.22Å; I162-L202 PolarHBondContact O-N 3.29Å; I164-L202 HydrophobicContact CD1-CD1 4.46Å; I164-L202 HydrophobicContact CD1-CD2 4.28Å; I164-L202 HydrophobicContact CD1-CG 3.97Å; I164-L202 HydrophobicContact CG2-CD1 3.89Å; I164-L202 HydrophobicContact CG2-CG 4.22Å; L183-L202 HydrophobicContact CD2-CD2 4.48Å; F190-L202 HydrophobicContact CB-CD2 4.46Å; K191-L202 CarbonylContact O-C 3.56Å; K191-L202 WeakPolarHBondContact O-CA 3.47Å; L192-L202 HydrophobicContact CD1-CD2 3.97Å; L202-L233 HydrophobicContact CD1-CD1 4.21Å; L202-L233 HydrophobicContact CD2-CD1 4.38Å; L202-I235 HydrophobicContact CD1-CD1 3.92Å |
| 203 | E | 91.4 | Very high | 87 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.1 | 174.1 | -178.9 | -173.4 | -178.1 | 0 | 0 | 108.9 | L161 F190 K191 L205 | L161-E203 HydrophobicContact CD2-CB 3.8Å; L161-E203 HydrophobicContact CD2-CG 4.01Å; F190-E203 WeakPolarHBondContact CA-O 3.28Å; K191-E203 HydrophobicContact CB-CB 4.45Å; K191-E203 WeakPolarHBondContact CD-OE2 3.4Å; K191-E203 PolarHBondContact N-O 3.16Å; K191-E203 IonicContact NZ-OE1 3.93Å; K191-E203 IonicContact NZ-OE2 3.67Å; K191-E203 PolarHBondContact NZ-OE2 3.05Å; K191-E203 PolarHBondContact O-N 3.35Å; E203-L205 HydrophobicContact CG-CD2 4.01Å; E203-L205 PolarHBondContact O-N 2.99Å |
| 204 | L | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 117.5 | 175.8 | -178.5 | 63.7 | 0 | 0 | 0 | 110.4 | T156 V158 G159 T160 T189 F190 R206 L208 | T156-L204 HydrophobicContact CG2-CD2 3.8Å; T156-L204 WeakPolarHBondContact O-CD2 3.36Å; V158-L204 WeakPolarHBondContact CG1-O 3.36Å; G159-L204 PolarHBondContact N-O 2.6Å; T160-L204 PolarHBondContact O-N 2.79Å; T160-L204 VanDerWaalsContact O-N 3.09Å; T189-L204 HydrophobicContact CG2-CD1 3.78Å; F190-L204 HydrophobicContact CD1-CD1 4.04Å; F190-L204 HydrophobicContact CE1-CD1 3.59Å; F190-L204 HydrophobicContact CZ-CD1 4.16Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.19Å; L204-R206 VanDerWaalsContact CG-O 3.29Å; L204-R206 WeakPolarHBondContact CG-O 3.22Å; L204-L208 HydrophobicContact CD1-CD1 4.19Å; L204-L208 HydrophobicContact CD1-CD2 3.91Å; L204-L208 HydrophobicContact CD1-CG 3.94Å; L204-L208 HydrophobicContact CD2-CD1 3.95Å; L204-L208 HydrophobicContact CD2-CG 4.16Å |
| 205 | L | 91.1 | Very high | 87.5 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | trans | -101.5 | -12.5 | -175.2 | -65.6 | -172.7 | 0 | 0 | 0 | 115.1 | T189 K191 E203 | T189-L205 PolarHBondContact O-N 3.47Å; K191-L205 HydrophobicContact CB-CD1 3.56Å; K191-L205 HydrophobicContact CB-CD2 4.29Å; K191-L205 HydrophobicContact CB-CG 3.89Å; K191-L205 HydrophobicContact CD-CD1 4.19Å; K191-L205 HydrophobicContact CD-CD2 4.44Å; E203-L205 HydrophobicContact CG-CD2 4.01Å; E203-L205 PolarHBondContact O-N 2.99Å | ||
| 206 | R | 90.6 | Very high | 87.9 | Confident | 151 Ų | 151 | 61.6 Ų | 61.6 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -136.9 | 153.8 | -178.9 | -61.5 | -175 | -174.3 | -137.7 | -3.1 | 109.3 | G188 T189 L204 | G188-R206 PolarHBondContact O-NE 3.08Å; T189-R206 HydrophobicContact CG2-CB 4.44Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.19Å; L204-R206 VanDerWaalsContact CG-O 3.29Å; L204-R206 WeakPolarHBondContact CG-O 3.22Å |
| 207 | P | 91.2 | Very high | 88.8 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 66% | 0.656 | 33% | 0.334 | S | S | * | . | trans | -58.2 | 153.9 | 165.6 | 28.4 | -35.3 | 0 | 0 | 0 | 109.9 | V158 | V158-P207 HydrophobicContact CG2-CB 4.47Š| ||
| 208 | L | 93.5 | Very high | 89.7 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -98.4 | 158.4 | 174 | -63.8 | 166.8 | 0 | 0 | 0 | 108.9 | L152 E154 T189 F190 L204 Y216 I237 | L152-L208 HydrophobicContact CB-CD1 4.14Å; L152-L208 HydrophobicContact CD1-CD1 4.19Å; E154-L208 HydrophobicContact CB-CB 3.95Å; T189-L208 HydrophobicContact CG2-CD2 3.75Å; F190-L208 HydrophobicContact CZ-CD2 4.05Å; L204-L208 HydrophobicContact CD1-CD1 4.19Å; L204-L208 HydrophobicContact CD1-CD2 3.91Å; L204-L208 HydrophobicContact CD1-CG 3.94Å; L204-L208 HydrophobicContact CD2-CD1 3.95Å; L204-L208 HydrophobicContact CD2-CG 4.16Å; L208-Y216 HydrophobicContact CD2-CE2 3.78Å; L208-I237 HydrophobicContact CD1-CD1 4.07Å; L208-I237 HydrophobicContact CD2-CD1 3.89Å; L208-I237 HydrophobicContact CG-CD1 4.5Å | ||
| 209 | D | 93.6 | Very high | 90.5 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | trans | -161.1 | 111.1 | -177.2 | 173.9 | -47.1 | 0 | 0 | 0 | 105.5 | E154 E211 Q212 V213 | E154-D209 WeakPolarHBondContact OE2-CA 3.47Å; D209-E211 PolarHBondContact OD1-N 2.72Å; D209-Q212 HydrophobicContact CB-CB 4.38Å; D209-Q212 WeakPolarHBondContact OD1-CB 3.49Å; D209-Q212 VanDerWaalsContact OD1-CG 3.22Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.43Å; D209-Q212 PolarHBondContact OD1-N 2.83Å; D209-Q212 PolarHBondContact OD2-NE2 2.85Å; D209-V213 PolarHBondContact O-N 2.78Å | ||
| 210 | R | 93.6 | Very high | 91 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -33.3 | -170.7 | -172.7 | -153.4 | 60.8 | 77.5 | -10.5 | 111.3 | E154 Q212 V213 S214 I237 D239 I274 D275 | E154-R210 WeakPolarHBondContact OE1-CB 3.29Å; E154-R210 VanDerWaalsContact OE2-CB 3.24Å; E154-R210 WeakPolarHBondContact OE2-CB 3.19Å; E154-R210 PolarHBondContact OE2-N 2.74Å; R210-Q212 PolarHBondContact O-N 3.08Å; R210-V213 CarbonylContact O-C 3.55Å; R210-V213 PolarHBondContact O-N 2.9Å; R210-S214 PolarHBondContact O-N 2.76Å; R210-S214 VanDerWaalsContact O-N 3.16Å; R210-I237 HydrophobicContact CB-CG2 4.03Å; R210-I237 HydrophobicContact CG-CB 4.43Å; R210-I237 HydrophobicContact CG-CG2 4.35Å; R210-D239 IonicContact CZ-OD1 3.12Å; R210-D239 IonicContact NE-OD1 3.74Å; R210-D239 PolarHBondContact NE-OD1 3.2Å; R210-D239 IonicContact NH2-OD1 3.41Å; R210-D239 PolarHBondContact NH2-OD1 3.19Å; R210-I274 PolarHBondContact NH2-O 2.83Å; R210-D275 VanDerWaalsContact NH2-C 3.34Å |
| 211 | E | 92.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -34.2 | 177.4 | -70.7 | 55.9 | -124.5 | 0 | 0 | 110.4 | D209 I274 | D209-E211 PolarHBondContact OD1-N 2.72Å; E211-I274 HydrophobicContact CB-CD1 4.24Å; E211-I274 HydrophobicContact CG-CB 4.21Å; E211-I274 HydrophobicContact CG-CD1 3.67Å; E211-I274 HydrophobicContact CG-CG1 3.72Å |
| 212 | Q | 90.4 | Very high | 91.3 | Very high | 153 Ų | 153 | 50.3 Ų | 50.3 | 72% | 0.715 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -51 | 167.5 | -69.1 | -177 | 61.1 | 0 | 0 | 112.7 | D209 R210 | D209-Q212 HydrophobicContact CB-CB 4.38Å; D209-Q212 WeakPolarHBondContact OD1-CB 3.49Å; D209-Q212 VanDerWaalsContact OD1-CG 3.22Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.43Å; D209-Q212 PolarHBondContact OD1-N 2.83Å; D209-Q212 PolarHBondContact OD2-NE2 2.85Å; R210-Q212 PolarHBondContact O-N 3.08Å |
| 213 | V | 90.2 | Very high | 91.4 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | trans | -145.4 | 95.5 | -175.4 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | D209 R210 E215 Y216 I237 | D209-V213 PolarHBondContact O-N 2.78Å; R210-V213 CarbonylContact O-C 3.55Å; R210-V213 PolarHBondContact O-N 2.9Å; V213-E215 VanDerWaalsContact C-N 3.33Å; V213-E215 VanDerWaalsContact CG1-O 3.31Å; V213-E215 WeakPolarHBondContact CG1-O 3.31Å; V213-E215 PolarHBondContact O-N 3.28Å; V213-Y216 HydrophobicContact CB-CE1 4.21Å; V213-Y216 HydrophobicContact CB-CE2 4.17Å; V213-Y216 HydrophobicContact CG1-CD1 3.96Å; V213-Y216 HydrophobicContact CG1-CD2 4.14Å; V213-Y216 HydrophobicContact CG1-CE1 3.68Å; V213-Y216 HydrophobicContact CG1-CE2 3.88Å; V213-Y216 HydrophobicContact CG1-CG 4.2Å; V213-Y216 HydrophobicContact CG2-CE1 4.49Å; V213-I237 WeakPolarHBondContact O-CG1 3.26Å | ||
| 214 | S | 91.2 | Very high | 91.4 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 46% | 0.462 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -74.1 | -15.1 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 115.6 | R210 I237 | R210-S214 PolarHBondContact O-N 2.76Å; R210-S214 VanDerWaalsContact O-N 3.16Å; S214-I237 PolarHBondContact O-N 2.74Å |
| 215 | E | 91.7 | Very high | 91.2 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 129.7 | -177.2 | -172.6 | -164.6 | -142.7 | 0 | 0 | 111.1 | V213 K217 E234 | V213-E215 VanDerWaalsContact C-N 3.33Å; V213-E215 VanDerWaalsContact CG1-O 3.31Å; V213-E215 WeakPolarHBondContact CG1-O 3.31Å; V213-E215 PolarHBondContact O-N 3.28Å; E215-K217 VanDerWaalsContact OE1-CE 3.24Å; E215-K217 WeakPolarHBondContact OE1-CE 3.47Å; E215-K217 IonicContact OE1-NZ 2.72Å; E215-K217 PolarHBondContact OE1-NZ 3.11Å; E215-K217 IonicContact OE2-NZ 2.73Å; E215-K217 PolarHBondContact OE2-NZ 2.96Å; E215-E234 HydrophobicContact CG-CG 4.38Å; E215-E234 WeakPolarHBondContact OE1-CG 3.26Å |
| 216 | Y | 90 | Very high | 91 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.2 | 168.7 | -65.2 | -87.9 | 0 | 0 | 0 | 110.6 | T187 T189 F190 L208 V213 I235 I237 | T187-Y216 HydrophobicContact CG2-CD1 3.96Å; T189-Y216 HydrophobicContact CG2-CE1 4.49Å; T189-Y216 HydrophobicContact CG2-CE2 4.37Å; T189-Y216 WeakPolarHBondContact OG1-CE1 3.24Å; F190-Y216 HydrophobicContact CE2-CD1 4.44Å; F190-Y216 AromaticContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CD2 3.8Å; F190-Y216 HydrophobicContact CE2-CE2 4.36Å; F190-Y216 AromaticContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CE2-CG 3.82Å; F190-Y216 HydrophobicContact CZ-CD2 4.25Å; L208-Y216 HydrophobicContact CD2-CE2 3.78Å; V213-Y216 HydrophobicContact CB-CE1 4.21Å; V213-Y216 HydrophobicContact CB-CE2 4.17Å; V213-Y216 HydrophobicContact CG1-CD1 3.96Å; V213-Y216 HydrophobicContact CG1-CD2 4.14Å; V213-Y216 HydrophobicContact CG1-CE1 3.68Å; V213-Y216 HydrophobicContact CG1-CE2 3.88Å; V213-Y216 HydrophobicContact CG1-CG 4.2Å; V213-Y216 HydrophobicContact CG2-CE1 4.49Å; Y216-I235 PolarHBondContact N-O 3.34Å; Y216-I235 PolarHBondContact O-N 3.05Å; Y216-I237 HydrophobicContact CD2-CD1 3.99Å; Y216-I237 HydrophobicContact CD2-CG1 4.04Å; Y216-I237 HydrophobicContact CE2-CD1 4.16Å; Y216-I237 HydrophobicContact CE2-CG1 4.04Å |
| 217 | K | 89 | Confident | 90.9 | Very high | 106 Ų | 106 | 45.6 Ų | 45.6 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136 | 171.7 | -71.9 | -177.3 | 164.9 | 108.7 | 0 | 110.3 | E215 | E215-K217 VanDerWaalsContact OE1-CE 3.24Å; E215-K217 WeakPolarHBondContact OE1-CE 3.47Å; E215-K217 IonicContact OE1-NZ 2.72Å; E215-K217 PolarHBondContact OE1-NZ 3.11Å; E215-K217 IonicContact OE2-NZ 2.73Å; E215-K217 PolarHBondContact OE2-NZ 2.96Å |
| 218 | A | 87.6 | Confident | 91 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L183 E185 L233 | L183-A218 HydrophobicContact CD1-CB 3.92Å; L183-A218 HydrophobicContact CG-CB 4.33Å; E185-A218 VanDerWaalsContact O-CB 3.27Å; E185-A218 WeakPolarHBondContact O-CB 3.46Å; A218-L233 HydrophobicContact CB-CB 4.46Å; A218-L233 PolarHBondContact N-O 2.69Å; A218-L233 PolarHBondContact O-N 3.48Å |
| 219 | S | 89.5 | Confident | 90.9 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.3 | 174.6 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | V184 | V184-S219 PolarHBondContact N-O 3.22Å |
| 220 | L | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.8 | 172.4 | -177.2 | 67.4 | 0 | 0 | 0 | 108.9 | F143 I164 L192 R230 Q231 L233 | F143-L220 HydrophobicContact CD1-CD2 4.47Å; F143-L220 HydrophobicContact CE1-CD2 3.5Å; F143-L220 HydrophobicContact CE1-CG 4.07Å; F143-L220 HydrophobicContact CZ-CB 4.48Å; F143-L220 HydrophobicContact CZ-CD2 3.82Å; F143-L220 HydrophobicContact CZ-CG 3.83Å; I164-L220 HydrophobicContact CD1-CD1 4.13Å; I164-L220 HydrophobicContact CD1-CD2 3.92Å; L192-L220 HydrophobicContact CD1-CD1 3.89Å; L192-L220 HydrophobicContact CD2-CD1 4.41Å; L220-R230 CarbonylContact O-C 3.58Å; L220-R230 WeakPolarHBondContact O-CA 3.5Å; L220-Q231 PolarHBondContact N-O 3.15Å; L220-Q231 PolarHBondContact O-N 2.62Å; L220-L233 HydrophobicContact CB-CD1 3.77Å; L220-L233 HydrophobicContact CB-CG 4.08Å; L220-L233 HydrophobicContact CD1-CD1 4.49Å; L220-L233 HydrophobicContact CD2-CD1 4.44Å; L220-L233 HydrophobicContact CG-CD1 4.47Å |
| 221 | E | 92.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.5 | 179.6 | -176.7 | 179.9 | -100.2 | 0 | 0 | 109.8 | R180 Y181 T182 V184 C228 T229 R230 | R180-E221 IonicContact NH2-OE2 2.7Å; Y181-E221 CarbonylContact C-O 3.28Å; Y181-E221 VanDerWaalsContact CA-O 3.26Å; Y181-E221 WeakPolarHBondContact CA-O 3.3Å; T182-E221 PolarHBondContact N-O 3.13Å; T182-E221 WeakPolarHBondContact O-CB 3.24Å; T182-E221 PolarHBondContact O-N 3.3Å; T182-E221 PolarHBondContact OG1-OE2 2.77Å; V184-E221 HydrophobicContact CG2-CB 3.59Å; V184-E221 HydrophobicContact CG2-CG 4.27Å; E221-C228 HydrophobicContact CG-CB 4.04Å; E221-T229 CarbonylContact C-O 3.6Å; E221-T229 VanDerWaalsContact CA-O 3.29Å; E221-T229 WeakPolarHBondContact CA-O 3.17Å; E221-R230 HydrophobicContact CB-CG 4.03Å; E221-R230 HydrophobicContact CG-CG 4.05Å; E221-R230 IonicContact OE1-CZ 3.73Å; E221-R230 IonicContact OE1-NE 3.86Å; E221-R230 PolarHBondContact OE1-NE 3.19Å; E221-R230 IonicContact OE1-NH2 3.25Å; E221-R230 PolarHBondContact OE1-NH2 3.45Å |
| 222 | A | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P141 F143 A167 I178 Y181 C228 T229 | P141-A222 HydrophobicContact CB-CB 4.24Å; F143-A222 HydrophobicContact CE2-CB 4.01Å; F143-A222 HydrophobicContact CZ-CB 3.7Å; A167-A222 HydrophobicContact CB-CB 3.54Å; I178-A222 HydrophobicContact CG2-CB 4.2Å; Y181-A222 HydrophobicContact CD1-CB 3.81Å; Y181-A222 HydrophobicContact CE1-CB 3.57Å; A222-C228 CarbonylContact O-C 3.51Å; A222-C228 VanDerWaalsContact O-CA 3.28Å; A222-C228 WeakPolarHBondContact O-CA 3.23Å; A222-T229 PolarHBondContact N-O 2.85Å; A222-T229 PolarHBondContact O-N 3.22Å |
| 223 | C | 92.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.4 | -176.7 | -59 | 0 | 0 | 0 | 0 | 111.6 | I178 Q179 R180 A227 C228 | I178-C223 CarbonylContact C-O 3.44Å; I178-C223 WeakPolarHBondContact CA-O 3.24Å; I178-C223 WeakPolarHBondContact CG2-O 3.42Å; Q179-C223 PolarHBondContact N-O 3.49Å; R180-C223 PolarHBondContact N-O 2.71Å; R180-C223 VanDerWaalsContact N-O 3.12Å; R180-C223 PolarHBondContact NH2-SG 2.67Å; R180-C223 PolarHBondContact O-N 3.1Å; C223-A227 WeakPolarHBondContact CA-O 3.31Å; C223-C228 HydrophobicContact CB-CB 4.09Å; C223-C228 WeakPolarHBondContact CB-SG 3.24Å; C223-C228 WeakPolarHBondContact SG-CB 3.39Å; C223-C228 CovalentContact SG-SG 2.04Å; C223-C228 PolarHBondContact SG-SG 2.75Å |
| 224 | D | 92 | Very high | 90.9 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | trans | -88.7 | -168.8 | 159.1 | 75.6 | 19.4 | 0 | 0 | 0 | 109.1 | N137 R140 P141 N176 G226 A227 | N137-D224 PolarHBondContact ND2-OD2 2.9Å; R140-D224 WeakPolarHBondContact CA-OD2 3.24Å; P141-D224 WeakPolarHBondContact CD-OD2 3.18Å; P141-D224 HydrophobicContact CG-CB 3.89Å; N176-D224 WeakPolarHBondContact O-CB 3.14Å; D224-G226 WeakPolarHBondContact OD1-CA 3.43Å; D224-G226 PolarHBondContact OD1-N 3.04Å; D224-A227 PolarHBondContact N-O 3Å; D224-A227 PolarHBondContact OD1-N 3.37Å | ||
| 225 | P | 88.1 | Confident | 90.9 | Very high | 81 Ų | 81 | 35.6 Ų | 35.6 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -69.3 | -24.4 | 175.8 | -19.3 | 32 | 0 | 0 | 0 | 116.4 | E175 N176 Q179 | E175-P225 WeakPolarHBondContact O-CG 3.43Å; N176-P225 WeakPolarHBondContact O-CD 3.41Å; Q179-P225 HydrophobicContact CG-CG 4.2Å |
| 226 | G | 86.5 | Confident | 91 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 62% | 0.619 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -109.4 | -22.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D224 | D224-G226 WeakPolarHBondContact OD1-CA 3.43Å; D224-G226 PolarHBondContact OD1-N 3.04Å |
| 227 | A | 89.9 | Confident | 91.2 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 17% | 0.174 | 20% | 0.195 | C | C | . | . | trans | -152.5 | 142.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R140 C223 D224 | R140-A227 HydrophobicContact CB-CB 3.62Å; C223-A227 WeakPolarHBondContact CA-O 3.31Å; D224-A227 PolarHBondContact N-O 3Å; D224-A227 PolarHBondContact OD1-N 3.37Å | ||
| 228 | C | 92.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.1 | 168.4 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | R140 E221 A222 C223 | R140-C228 PolarHBondContact NH2-O 2.9Å; E221-C228 HydrophobicContact CG-CB 4.04Å; A222-C228 CarbonylContact O-C 3.51Å; A222-C228 VanDerWaalsContact O-CA 3.28Å; A222-C228 WeakPolarHBondContact O-CA 3.23Å; C223-C228 HydrophobicContact CB-CB 4.09Å; C223-C228 WeakPolarHBondContact CB-SG 3.24Å; C223-C228 WeakPolarHBondContact SG-CB 3.39Å; C223-C228 CovalentContact SG-SG 2.04Å; C223-C228 PolarHBondContact SG-SG 2.75Å |
| 229 | T | 92.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.6 | 174 | -58 | 0 | 0 | 0 | 0 | 109.5 | R140 P141 F143 E221 A222 | R140-T229 PolarHBondContact NH1-OG1 3.22Å; P141-T229 WeakPolarHBondContact O-CB 3.22Å; P141-T229 WeakPolarHBondContact O-CG2 3.35Å; P141-T229 PolarHBondContact O-OG1 2.8Å; F143-T229 HydrophobicContact CD2-CG2 4.01Å; F143-T229 HydrophobicContact CE2-CG2 4.48Å; E221-T229 CarbonylContact C-O 3.6Å; E221-T229 VanDerWaalsContact CA-O 3.29Å; E221-T229 WeakPolarHBondContact CA-O 3.17Å; A222-T229 PolarHBondContact N-O 2.85Å; A222-T229 PolarHBondContact O-N 3.22Å |
| 230 | R | 92.5 | Very high | 91.6 | Very high | 134 Ų | 134 | 36.8 Ų | 36.8 | 51% | 0.506 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.4 | -179.1 | -66.9 | -176.5 | -177.8 | -178.1 | -1.5 | 112.6 | L220 E221 | L220-R230 CarbonylContact O-C 3.58Å; L220-R230 WeakPolarHBondContact O-CA 3.5Å; E221-R230 HydrophobicContact CB-CG 4.03Å; E221-R230 HydrophobicContact CG-CG 4.05Å; E221-R230 IonicContact OE1-CZ 3.73Å; E221-R230 IonicContact OE1-NE 3.86Å; E221-R230 PolarHBondContact OE1-NE 3.19Å; E221-R230 IonicContact OE1-NH2 3.25Å; E221-R230 PolarHBondContact OE1-NH2 3.45Å |
| 231 | Q | 92.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.8 | 170.7 | 176.6 | 179.4 | 61.8 | 0 | 0 | 108.9 | F143 A145 Q146 L220 | F143-Q231 HydrophobicContact CB-CB 4.07Å; F143-Q231 HydrophobicContact CB-CG 4.46Å; F143-Q231 HydrophobicContact CD1-CB 4.05Å; F143-Q231 HydrophobicContact CD2-CB 3.6Å; F143-Q231 HydrophobicContact CE1-CB 4.38Å; F143-Q231 HydrophobicContact CE2-CB 3.96Å; F143-Q231 HydrophobicContact CG-CB 3.65Å; F143-Q231 HydrophobicContact CG-CG 4.39Å; F143-Q231 HydrophobicContact CZ-CB 4.34Å; A145-Q231 PolarHBondContact O-NE2 3.01Å; Q146-Q231 WeakPolarHBondContact O-CA 3.25Å; L220-Q231 PolarHBondContact N-O 3.15Å; L220-Q231 PolarHBondContact O-N 2.62Å |
| 232 | T | 92.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.5 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | Q146 S147 Q148 | Q146-T232 PolarHBondContact O-N 3.47Å; S147-T232 CarbonylContact C-O 3.59Å; S147-T232 WeakPolarHBondContact CA-O 2.94Å; S147-T232 WeakPolarHBondContact CB-O 3.27Å; Q148-T232 PolarHBondContact N-O 2.92Å |
| 233 | L | 91.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.4 | 166.5 | -74.2 | 167.7 | 0 | 0 | 0 | 108.9 | Q148 V150 I164 L183 L202 A218 L220 | Q148-L233 HydrophobicContact CB-CD2 4.23Å; Q148-L233 HydrophobicContact CG-CD2 4.37Å; Q148-L233 WeakPolarHBondContact O-CA 3.14Å; V150-L233 HydrophobicContact CG2-CD2 4.44Å; I164-L233 HydrophobicContact CB-CD2 4.48Å; I164-L233 HydrophobicContact CD1-CD1 4.12Å; I164-L233 HydrophobicContact CG2-CD2 4.04Å; L183-L233 HydrophobicContact CD1-CD1 3.93Å; L202-L233 HydrophobicContact CD1-CD1 4.21Å; L202-L233 HydrophobicContact CD2-CD1 4.38Å; A218-L233 HydrophobicContact CB-CB 4.46Å; A218-L233 PolarHBondContact N-O 2.69Å; A218-L233 PolarHBondContact O-N 3.48Å; L220-L233 HydrophobicContact CB-CD1 3.77Å; L220-L233 HydrophobicContact CB-CG 4.08Å; L220-L233 HydrophobicContact CD1-CD1 4.49Å; L220-L233 HydrophobicContact CD2-CD1 4.44Å; L220-L233 HydrophobicContact CG-CD1 4.47Å |
| 234 | E | 91.5 | Very high | 90.8 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 105.1 | 175.9 | -170.7 | -176.7 | 110.2 | 0 | 0 | 108.5 | Q148 T149 V150 E215 Q236 | Q148-E234 PolarHBondContact O-N 2.96Å; T149-E234 CarbonylContact C-O 3.53Å; T149-E234 VanDerWaalsContact CA-O 3.26Å; T149-E234 WeakPolarHBondContact CA-O 3.06Å; V150-E234 PolarHBondContact N-O 2.91Å; E215-E234 HydrophobicContact CG-CG 4.38Å; E215-E234 WeakPolarHBondContact OE1-CG 3.26Å; E234-Q236 HydrophobicContact CG-CG 4.42Å; E234-Q236 PolarHBondContact OE1-NE2 2.87Å |
| 235 | I | 91.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 101.5 | -174.8 | -49.9 | 171.7 | 0 | 0 | 0 | 107.9 | V150 L152 F190 L202 Y216 I237 | V150-I235 HydrophobicContact CB-CG1 4.4Å; V150-I235 CarbonylContact O-C 3.57Å; V150-I235 VanDerWaalsContact O-CA 3.31Å; V150-I235 WeakPolarHBondContact O-CA 3.27Å; L152-I235 HydrophobicContact CD1-CG2 3.61Å; L152-I235 HydrophobicContact CG-CG2 4.14Å; F190-I235 HydrophobicContact CD1-CD1 4.22Å; F190-I235 HydrophobicContact CD2-CD1 3.62Å; F190-I235 HydrophobicContact CE1-CD1 4.19Å; F190-I235 HydrophobicContact CE1-CG2 4.31Å; F190-I235 HydrophobicContact CE2-CB 4.49Å; F190-I235 HydrophobicContact CE2-CD1 3.61Å; F190-I235 HydrophobicContact CE2-CG2 4.27Å; F190-I235 HydrophobicContact CG-CD1 3.96Å; F190-I235 HydrophobicContact CZ-CB 4.46Å; F190-I235 HydrophobicContact CZ-CD1 3.91Å; F190-I235 HydrophobicContact CZ-CG2 3.76Å; L202-I235 HydrophobicContact CD1-CD1 3.92Å; Y216-I235 PolarHBondContact N-O 3.34Å; Y216-I235 PolarHBondContact O-N 3.05Å; I235-I237 HydrophobicContact CG2-CD1 4.24Å |
| 236 | Q | 92.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.6 | -179.2 | -64.1 | 179.2 | -2.5 | 0 | 0 | 109.6 | T149 V150 T151 L152 E234 | T149-Q236 HydrophobicContact CG2-CG 3.94Å; V150-Q236 PolarHBondContact O-N 3.03Å; T151-Q236 WeakPolarHBondContact CA-O 3.48Å; T151-Q236 HydrophobicContact CG2-CB 4.24Å; L152-Q236 PolarHBondContact N-O 2.88Å; L152-Q236 VanDerWaalsContact N-O 3.08Å; E234-Q236 HydrophobicContact CG-CG 4.42Å; E234-Q236 PolarHBondContact OE1-NE2 2.87Å |
| 237 | I | 94.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.5 | 178.8 | -49.8 | -49.7 | 0 | 0 | 0 | 108.9 | L152 E154 L208 R210 V213 S214 Y216 I235 | L152-I237 HydrophobicContact CB-CD1 4.39Å; L152-I237 CarbonylContact O-C 3.54Å; L152-I237 WeakPolarHBondContact O-CA 3.36Å; E154-I237 HydrophobicContact CB-CG2 3.77Å; L208-I237 HydrophobicContact CD1-CD1 4.07Å; L208-I237 HydrophobicContact CD2-CD1 3.89Å; L208-I237 HydrophobicContact CG-CD1 4.5Å; R210-I237 HydrophobicContact CB-CG2 4.03Å; R210-I237 HydrophobicContact CG-CB 4.43Å; R210-I237 HydrophobicContact CG-CG2 4.35Å; V213-I237 WeakPolarHBondContact O-CG1 3.26Å; S214-I237 PolarHBondContact O-N 2.74Å; Y216-I237 HydrophobicContact CD2-CD1 3.99Å; Y216-I237 HydrophobicContact CD2-CG1 4.04Å; Y216-I237 HydrophobicContact CE2-CD1 4.16Å; Y216-I237 HydrophobicContact CE2-CG1 4.04Å; I235-I237 HydrophobicContact CG2-CD1 4.24Å |
| 238 | L | 92.1 | Very high | 90.4 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 45% | 0.45 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.7 | 174.6 | -56.3 | 178.3 | 0 | 0 | 0 | 108.9 | T151 L152 E154 | T151-L238 HydrophobicContact CG2-CD2 4.39Å; L152-L238 PolarHBondContact O-N 2.96Å; E154-L238 PolarHBondContact N-O 3.14Å; E154-L238 VanDerWaalsContact N-O 3.08Å |
| 239 | D | 92.6 | Very high | 90.2 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -47.5 | 141.8 | 171.5 | -172.1 | 84.9 | 0 | 0 | 0 | 113.2 | E154 R210 S276 R279 | E154-D239 WeakPolarHBondContact OE1-CA 3.22Å; R210-D239 IonicContact CZ-OD1 3.12Å; R210-D239 IonicContact NE-OD1 3.74Å; R210-D239 PolarHBondContact NE-OD1 3.2Å; R210-D239 IonicContact NH2-OD1 3.41Å; R210-D239 PolarHBondContact NH2-OD1 3.19Å; D239-S276 VanDerWaalsContact CG-CB 3.42Å; D239-S276 WeakPolarHBondContact OD1-CA 3.09Å; D239-S276 WeakPolarHBondContact OD1-CB 3.39Å; D239-S276 PolarHBondContact OD1-N 2.82Å; D239-S276 PolarHBondContact OD2-N 3.48Å; D239-R279 PolarHBondContact O-NH1 2.83Å; D239-R279 WeakPolarHBondContact OD2-CD 3.33Å; D239-R279 IonicContact OD2-NH1 2.97Å |
| 240 | E | 89.8 | Confident | 90 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | trans | -128.4 | 158 | 161.7 | -62 | -65.3 | -174 | 0 | 0 | 111.1 | S153 E154 A155 D242 R279 | S153-E240 WeakPolarHBondContact CB-OE1 3.24Å; S153-E240 VanDerWaalsContact OG-CG 3.23Å; S153-E240 WeakPolarHBondContact OG-CG 3.38Å; S153-E240 PolarHBondContact OG-OE1 2.87Å; E154-E240 HydrophobicContact CG-CB 4.11Å; E154-E240 HydrophobicContact CG-CG 4.1Å; E154-E240 PolarHBondContact OE1-N 3.45Å; A155-E240 HydrophobicContact CB-CG 4.11Å; E240-D242 PolarHBondContact O-N 3.26Å; E240-R279 IonicContact OE2-CZ 2.56Å; E240-R279 IonicContact OE2-NH1 2.88Å; E240-R279 PolarHBondContact OE2-NH1 3.08Å; E240-R279 IonicContact OE2-NH2 2.61Å; E240-R279 PolarHBondContact OE2-NH2 3.42Å | ||
| 241 | N | 89.5 | Confident | 90 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -84 | 60.4 | -174.8 | -158.4 | 126.8 | 0 | 0 | 0 | 111.2 | D275 R279 D329 | N241-D275 VanDerWaalsContact CA-OD2 3.25Å; N241-D275 WeakPolarHBondContact CA-OD2 3.05Å; N241-R279 HydrophobicContact CB-CB 4.38Å; N241-R279 HydrophobicContact CB-CG 4.03Å; N241-R279 WeakPolarHBondContact OD1-CB 3.35Å; N241-R279 WeakPolarHBondContact OD1-CG 3.4Å; N241-D329 PolarHBondContact OD1-OD1 3.32Å |
| 242 | D | 89.5 | Confident | 90 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | trans | -97.2 | -15.7 | -171.9 | 106.2 | -35.3 | 0 | 0 | 0 | 114.2 | E240 | E240-D242 PolarHBondContact O-N 3.26Š| ||
| 243 | N | 88.1 | Confident | 90.1 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -89.3 | -174.1 | 167.1 | -59 | -83.5 | 0 | 0 | 0 | 111.3 | I274 D275 | N243-I274 HydrophobicContact CB-CG1 3.91Å; N243-D275 VanDerWaalsContact CB-OD1 3.22Å; N243-D275 WeakPolarHBondContact CB-OD1 3.44Å; N243-D275 PolarHBondContact N-OD1 3.08Å; N243-D275 PolarHBondContact ND2-OD1 2.98Å |
| 244 | S | 85.1 | Confident | 90.2 | Very high | 57 Ų | 57 | 67.8 Ų | 67.8 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | trans | -157.8 | 149.9 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | R246 D273 | S244-R246 PolarHBondContact O-N 3.26Å; S244-D273 VanDerWaalsContact CA-OD2 3.24Å; S244-D273 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 245 | P | 90.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.013 | 36% | 0.362 | C | S | . | . | trans | -66.7 | 119.2 | -168.7 | -26.7 | 36.7 | 0 | 0 | 0 | 113.7 | A271 D273 V282 A327 D329 S341 | P245-A271 HydrophobicContact CB-CB 4.35Å; P245-D273 WeakPolarHBondContact CD-OD2 3.33Å; P245-D273 HydrophobicContact CG-CB 4.29Å; P245-D273 VanDerWaalsContact CG-OD2 3.28Å; P245-D273 WeakPolarHBondContact CG-OD2 3.22Å; P245-V282 HydrophobicContact CB-CG1 4.1Å; P245-V282 HydrophobicContact CB-CG2 3.95Å; P245-V282 HydrophobicContact CG-CG2 4.25Å; P245-A327 HydrophobicContact CB-CB 3.79Å; P245-D329 HydrophobicContact CG-CB 4.36Å; P245-S341 WeakPolarHBondContact O-CB 3.08Å; P245-S341 PolarHBondContact O-OG 3.32Å | ||
| 246 | R | 88.6 | Confident | 90.4 | Very high | 165 Ų | 165 | 74 Ų | 74 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.1 | -175.2 | -171.4 | 175.5 | 174 | -75.5 | -7 | 111.6 | S244 A271 T272 | S244-R246 PolarHBondContact O-N 3.26Å; R246-A271 VanDerWaalsContact O-CA 3.27Å; R246-A271 WeakPolarHBondContact O-CA 3.06Å; R246-T272 PolarHBondContact N-O 3.47Å; R246-T272 PolarHBondContact O-N 2.96Å |
| 247 | L | 87.4 | Confident | 90.3 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 138.8 | 173.3 | -76 | 162.5 | 0 | 0 | 0 | 111.4 | L269 A271 Y284 A327 S341 T342 A343 | L247-L269 HydrophobicContact CD2-CB 4.42Å; L247-A271 HydrophobicContact CB-CB 4.5Å; L247-A271 HydrophobicContact CD2-CB 3.7Å; L247-A271 HydrophobicContact CG-CB 3.9Å; L247-Y284 HydrophobicContact CD2-CE1 4.14Å; L247-A327 HydrophobicContact CD2-CB 4.42Å; L247-A327 HydrophobicContact CG-CB 4.18Å; L247-S341 VanDerWaalsContact CD1-O 3.24Å; L247-S341 WeakPolarHBondContact CD1-O 3.38Å; L247-T342 VanDerWaalsContact CD1-C 3.48Å; L247-A343 HydrophobicContact CD1-CB 3.79Å |
| 248 | A | 82.8 | Confident | 90.1 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 55% | 0.554 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -67.2 | -35.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N270 | A248-N270 PolarHBondContact N-O 3.3Š|
| 249 | N | 88.1 | Confident | 89.8 | Confident | 101 Ų | 101 | 74.8 Ų | 74.8 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | trans | -133.1 | 140.4 | 172.7 | -67.4 | -46.1 | 0 | 0 | 0 | 108.8 | F252 | N249-F252 HydrophobicContact CB-CE1 4.15Å; N249-F252 HydrophobicContact CB-CE2 4.15Å; N249-F252 HydrophobicContact CB-CZ 3.74Å; N249-F252 VanDerWaalsContact O-CE2 3.26Å; N249-F252 WeakPolarHBondContact O-CE2 3.28Å | ||
| 250 | T | 88.1 | Confident | 89.7 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -102.3 | 3.6 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | A343 D344 | T250-A343 CarbonylContact O-C 3.55Å; T250-A343 VanDerWaalsContact O-CA 3.26Å; T250-A343 WeakPolarHBondContact O-CA 3.18Å; T250-D344 PolarHBondContact O-N 3.09Å |
| 251 | R | 91.4 | Very high | 89.8 | Confident | 181 Ų | 181 | 77 Ų | 77 | 68% | 0.683 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.1 | 176.9 | -62.5 | -171.3 | 176.4 | -107.1 | -13.8 | 111.3 | D344 | R251-D344 CarbonylContact C-O 3.57Å; R251-D344 VanDerWaalsContact CA-O 3.3Å; R251-D344 WeakPolarHBondContact CA-O 3.45Å; R251-D344 HydrophobicContact CG-CB 4.25Å; R251-D344 IonicContact CZ-OD2 3.8Å; R251-D344 IonicContact NE-OD2 3.57Å; R251-D344 IonicContact NH1-OD2 2.7Å; R251-D344 PolarHBondContact NH1-OD2 3.3Å; R251-D344 IonicContact NH2-OD2 3.63Å; R251-D344 PolarHBondContact NH2-OD2 3.07Å |
| 252 | F | 92.9 | Very high | 89.9 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 117.1 | 179.2 | -63.6 | -92.2 | 0 | 0 | 0 | 111.8 | N249 L267 L269 A343 D344 I345 T346 | N249-F252 HydrophobicContact CB-CE1 4.15Å; N249-F252 HydrophobicContact CB-CE2 4.15Å; N249-F252 HydrophobicContact CB-CZ 3.74Å; N249-F252 VanDerWaalsContact O-CE2 3.26Å; N249-F252 WeakPolarHBondContact O-CE2 3.28Å; F252-L267 HydrophobicContact CB-CD2 3.73Å; F252-L267 HydrophobicContact CD1-CD1 3.7Å; F252-L267 HydrophobicContact CD1-CD2 3.98Å; F252-L267 HydrophobicContact CD1-CG 4.43Å; F252-L267 HydrophobicContact CD2-CD2 4.26Å; F252-L267 HydrophobicContact CE1-CD1 4.08Å; F252-L267 HydrophobicContact CG-CD1 4.33Å; F252-L267 HydrophobicContact CG-CD2 3.75Å; F252-L269 HydrophobicContact CD2-CD2 3.92Å; F252-L269 HydrophobicContact CE1-CD2 4.47Å; F252-L269 HydrophobicContact CE2-CD2 3.42Å; F252-L269 VanDerWaalsContact CE2-CD2 3.42Å; F252-L269 HydrophobicContact CZ-CD2 3.73Å; F252-A343 HydrophobicContact CD2-CB 4.04Å; F252-A343 HydrophobicContact CE2-CB 3.88Å; F252-D344 PolarHBondContact N-O 3.39Å; F252-I345 HydrophobicContact CB-CG1 4.43Å; F252-I345 HydrophobicContact CB-CG2 4.45Å; F252-I345 HydrophobicContact CD2-CG1 4.26Å; F252-I345 WeakPolarHBondContact O-CA 3.36Å; F252-T346 PolarHBondContact O-N 3.24Å |
| 253 | N | 93.8 | Very high | 89.9 | Confident | 139 Ų | 139 | 75.3 Ų | 75.3 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.3 | 171.9 | -65.1 | 32.4 | 0 | 0 | 0 | 108.7 | T346 | N253-T346 WeakPolarHBondContact CA-O 2.87Å |
| 254 | K | 93.9 | Very high | 90.2 | Very high | 91 Ų | 91 | 75.6 Ų | 75.6 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.8 | -176.1 | -172.3 | 75.7 | 178.4 | -160.9 | 0 | 110.1 | L256 V266 T346 F347 T348 | K254-L256 HydrophobicContact CG-CD2 3.74Å; K254-L256 HydrophobicContact CG-CG 4.32Å; K254-V266 VanDerWaalsContact CE-O 3.23Å; K254-V266 WeakPolarHBondContact CE-O 3.37Å; K254-V266 PolarHBondContact NZ-O 3.29Å; K254-T346 PolarHBondContact N-O 2.79Å; K254-F347 HydrophobicContact CB-CD1 3.63Å; K254-F347 HydrophobicContact CB-CE1 3.91Å; K254-F347 HydrophobicContact CG-CD1 4.4Å; K254-F347 HydrophobicContact CG-CE1 4.46Å; K254-F347 WeakPolarHBondContact O-CA 3.37Å; K254-T348 PolarHBondContact O-N 3.3Å; K254-T348 PolarHBondContact O-OG1 3.39Å |
| 255 | R | 93.7 | Very high | 90.7 | Very high | 174 Ų | 174 | 75.7 Ų | 75.7 | 66% | 0.657 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.5 | 168.9 | -47.6 | -168.1 | -151.4 | -175.8 | 2.2 | 110 | T348 E350 | R255-T348 WeakPolarHBondContact CA-O 3.25Å; R255-E350 HydrophobicContact CB-CG 4.32Å; R255-E350 WeakPolarHBondContact CD-OE1 3.42Å; R255-E350 IonicContact CZ-OE1 2.67Å; R255-E350 IonicContact NE-OE1 3.22Å; R255-E350 IonicContact NH1-OE1 3.42Å; R255-E350 PolarHBondContact NH1-OE1 2.75Å |
| 256 | L | 93.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 111.7 | -176.6 | -60.6 | -177.3 | 0 | 0 | 0 | 108.2 | K254 I260 V266 F298 L313 F347 T348 V349 E350 | K254-L256 HydrophobicContact CG-CD2 3.74Å; K254-L256 HydrophobicContact CG-CG 4.32Å; L256-I260 HydrophobicContact CB-CD1 3.86Å; L256-I260 HydrophobicContact CD2-CD1 3.86Å; L256-I260 HydrophobicContact CG-CD1 4.43Å; L256-V266 HydrophobicContact CD1-CB 4.19Å; L256-V266 HydrophobicContact CD1-CG1 4.07Å; L256-V266 HydrophobicContact CD2-CB 3.78Å; L256-V266 HydrophobicContact CD2-CG1 3.75Å; L256-F298 HydrophobicContact CD1-CE1 3.99Å; L256-F298 HydrophobicContact CD1-CZ 4.04Å; L256-L313 HydrophobicContact CB-CD1 3.75Å; L256-L313 HydrophobicContact CD1-CD1 4.05Å; L256-F347 HydrophobicContact CD1-CB 3.87Å; L256-F347 HydrophobicContact CD1-CD2 3.76Å; L256-F347 HydrophobicContact CD1-CE2 4.42Å; L256-F347 HydrophobicContact CD1-CG 3.86Å; L256-F347 HydrophobicContact CG-CB 4.49Å; L256-T348 PolarHBondContact N-O 3.23Å; L256-V349 CarbonylContact O-C 3.5Å; L256-V349 VanDerWaalsContact O-CA 3.25Å; L256-V349 WeakPolarHBondContact O-CA 3.46Å; L256-E350 PolarHBondContact O-N 2.81Å |
| 257 | I | 90.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139.6 | 169.5 | 60.5 | -176.7 | 0 | 0 | 0 | 108.9 | N259 I260 E350 V352 | I257-N259 VanDerWaalsContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CG1-OD1 3.26Å; I257-N259 PolarHBondContact O-N 3.41Å; I257-I260 HydrophobicContact CG1-CD1 4.22Å; I257-I260 HydrophobicContact CG1-CG1 3.77Å; I257-I260 WeakPolarHBondContact O-CD1 3.24Å; I257-I260 VanDerWaalsContact O-CG1 3.23Å; I257-I260 WeakPolarHBondContact O-CG1 3.32Å; I257-I260 PolarHBondContact O-N 3.32Å; I257-E350 WeakPolarHBondContact CA-O 3.45Å; I257-E350 HydrophobicContact CG2-CB 4.15Å; I257-V352 HydrophobicContact CB-CG2 4.08Å |
| 258 | E | 89.8 | Confident | 91.5 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -29.5 | -168.2 | 72.7 | -168.3 | 136.9 | 0 | 0 | 113.7 | I260 L313 A314 A315 V349 E350 V352 N354 | E258-I260 PolarHBondContact O-N 3.03Å; E258-I260 VanDerWaalsContact O-N 3.13Å; E258-L313 HydrophobicContact CB-CB 4.1Å; E258-A314 WeakPolarHBondContact OE2-CA 3.37Å; E258-A315 PolarHBondContact OE2-N 2.64Å; E258-V349 HydrophobicContact CB-CG1 3.71Å; E258-E350 PolarHBondContact N-O 2.76Å; E258-V352 HydrophobicContact CG-CB 4.34Å; E258-V352 HydrophobicContact CG-CG2 4.38Å; E258-V352 PolarHBondContact OE1-N 2.79Å; E258-N354 PolarHBondContact OE1-ND2 2.79Å |
| 259 | N | 87.3 | Confident | 91.9 | Very high | 99 Ų | 99 | 70.3 Ų | 70.3 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 19.6 | 179.5 | 70.6 | -4.3 | 0 | 0 | 0 | 114.9 | I257 | I257-N259 VanDerWaalsContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CD1-OD1 3.3Å; I257-N259 WeakPolarHBondContact CG1-OD1 3.26Å; I257-N259 PolarHBondContact O-N 3.41Å |
| 260 | I | 89.7 | Confident | 92 | Very high | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -61 | 130.8 | 171.4 | -75.9 | 165.3 | 0 | 0 | 0 | 110.1 | L256 I257 E258 V262 T264 L309 | L256-I260 HydrophobicContact CB-CD1 3.86Å; L256-I260 HydrophobicContact CD2-CD1 3.86Å; L256-I260 HydrophobicContact CG-CD1 4.43Å; I257-I260 HydrophobicContact CG1-CD1 4.22Å; I257-I260 HydrophobicContact CG1-CG1 3.77Å; I257-I260 WeakPolarHBondContact O-CD1 3.24Å; I257-I260 VanDerWaalsContact O-CG1 3.23Å; I257-I260 WeakPolarHBondContact O-CG1 3.32Å; I257-I260 PolarHBondContact O-N 3.32Å; E258-I260 PolarHBondContact O-N 3.03Å; E258-I260 VanDerWaalsContact O-N 3.13Å; I260-V262 PolarHBondContact O-N 3.23Å; I260-T264 HydrophobicContact CG2-CG2 3.85Å; I260-L309 HydrophobicContact CB-CD2 4.03Å; I260-L309 HydrophobicContact CG2-CD2 3.7Å; I260-L309 VanDerWaalsContact O-CD2 3.31Å; I260-L309 WeakPolarHBondContact O-CD2 3.35Å |
| 261 | P | 91.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 135.8 | 177 | -25.3 | 34.9 | 0 | 0 | 0 | 113.3 | G263 T264 | P261-G263 PolarHBondContact O-N 2.95Å; P261-T264 VanDerWaalsContact O-CB 3.25Å; P261-T264 WeakPolarHBondContact O-CB 3.26Å; P261-T264 PolarHBondContact O-N 2.99Å; P261-T264 VanDerWaalsContact O-N 3.15Å; P261-T264 PolarHBondContact O-OG1 2.63Å |
| 262 | V | 91.8 | Very high | 92.1 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.9 | 170.9 | -180 | 0 | 0 | 0 | 0 | 110.1 | I260 R310 P312 | I260-V262 PolarHBondContact O-N 3.23Å; V262-R310 WeakPolarHBondContact CG1-O 3.28Å; V262-P312 HydrophobicContact CG2-CG 4.02Å |
| 263 | G | 90.9 | Very high | 92 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -12.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P261 L309 | P261-G263 PolarHBondContact O-N 2.95Å; G263-L309 PolarHBondContact N-O 3.27Å |
| 264 | T | 94 | Very high | 91.9 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | trans | -65.3 | 133.4 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | I260 P261 V266 K308 L309 | I260-T264 HydrophobicContact CG2-CG2 3.85Å; P261-T264 VanDerWaalsContact O-CB 3.25Å; P261-T264 WeakPolarHBondContact O-CB 3.26Å; P261-T264 PolarHBondContact O-N 2.99Å; P261-T264 VanDerWaalsContact O-N 3.15Å; P261-T264 PolarHBondContact O-OG1 2.63Å; T264-V266 PolarHBondContact O-N 3.27Å; T264-K308 CarbonylContact O-C 3.54Å; T264-K308 WeakPolarHBondContact O-CA 3.42Å; T264-L309 PolarHBondContact O-N 3.31Å | ||
| 265 | V | 95.4 | Very high | 91.8 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.3 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 109 | L267 E306 I307 K308 | V265-L267 WeakPolarHBondContact CG1-O 3.19Å; V265-E306 HydrophobicContact CG1-CB 4.22Å; V265-E306 HydrophobicContact CG1-CG 4.29Å; V265-E306 HydrophobicContact CG2-CB 4.39Å; V265-E306 HydrophobicContact CG2-CG 4.29Å; V265-E306 WeakPolarHBondContact CG2-OE1 3.29Å; V265-I307 CarbonylContact C-O 3.59Å; V265-I307 WeakPolarHBondContact CA-O 3.16Å; V265-K308 HydrophobicContact CB-CG 4.5Å; V265-K308 HydrophobicContact CG2-CD 4.3Å; V265-K308 VanDerWaalsContact CG2-CE 3.46Å; V265-K308 HydrophobicContact CG2-CG 3.75Å |
| 266 | V | 94.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -31.1 | -178.2 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | K254 L256 T264 F298 I307 L309 F347 | K254-V266 VanDerWaalsContact CE-O 3.23Å; K254-V266 WeakPolarHBondContact CE-O 3.37Å; K254-V266 PolarHBondContact NZ-O 3.29Å; L256-V266 HydrophobicContact CD1-CB 4.19Å; L256-V266 HydrophobicContact CD1-CG1 4.07Å; L256-V266 HydrophobicContact CD2-CB 3.78Å; L256-V266 HydrophobicContact CD2-CG1 3.75Å; T264-V266 PolarHBondContact O-N 3.27Å; V266-F298 HydrophobicContact CG2-CD1 3.97Å; V266-F298 HydrophobicContact CG2-CE1 3.94Å; V266-I307 HydrophobicContact CG2-CB 4.22Å; V266-I307 HydrophobicContact CG2-CG2 3.82Å; V266-I307 VanDerWaalsContact CG2-O 3.24Å; V266-I307 WeakPolarHBondContact CG2-O 3.38Å; V266-I307 PolarHBondContact N-O 2.84Å; V266-L309 HydrophobicContact CG1-CB 4.23Å; V266-F347 HydrophobicContact CG2-CD2 4.45Å; V266-F347 HydrophobicContact CG2-CE2 3.55Å; V266-F347 HydrophobicContact CG2-CZ 3.76Å |
| 267 | L | 94.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.7 | 173.8 | -178.3 | 59.5 | 0 | 0 | 0 | 110.4 | F252 V265 L269 I307 I345 F347 | F252-L267 HydrophobicContact CB-CD2 3.73Å; F252-L267 HydrophobicContact CD1-CD1 3.7Å; F252-L267 HydrophobicContact CD1-CD2 3.98Å; F252-L267 HydrophobicContact CD1-CG 4.43Å; F252-L267 HydrophobicContact CD2-CD2 4.26Å; F252-L267 HydrophobicContact CE1-CD1 4.08Å; F252-L267 HydrophobicContact CG-CD1 4.33Å; F252-L267 HydrophobicContact CG-CD2 3.75Å; V265-L267 WeakPolarHBondContact CG1-O 3.19Å; L267-L269 HydrophobicContact CD2-CD2 4.03Å; L267-L269 HydrophobicContact CG-CD2 4.39Å; L267-I307 HydrophobicContact CB-CB 4.45Å; L267-I307 HydrophobicContact CB-CD1 4.41Å; L267-I307 HydrophobicContact CD2-CD1 4.31Å; L267-I307 PolarHBondContact N-O 2.95Å; L267-I307 PolarHBondContact O-N 2.87Å; L267-I345 HydrophobicContact CD2-CD1 4.1Å; L267-I345 HydrophobicContact CD2-CG1 4.41Å; L267-I345 HydrophobicContact CD2-CG2 3.93Å; L267-F347 HydrophobicContact CB-CE1 4.01Å; L267-F347 HydrophobicContact CB-CZ 3.81Å; L267-F347 HydrophobicContact CD2-CE1 3.96Å; L267-F347 HydrophobicContact CD2-CZ 4.26Å |
| 268 | Q | 93.2 | Very high | 91.2 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.4 | 172 | 173.6 | 65.2 | 72.1 | 0 | 0 | 107.7 | T304 | Q268-T304 PolarHBondContact NE2-O 2.82Å |
| 269 | L | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | trans | -86.7 | 155 | 171.8 | -61.4 | 175.4 | 0 | 0 | 0 | 110.4 | L247 F252 L267 Y284 L300 G305 I307 V325 I345 | L247-L269 HydrophobicContact CD2-CB 4.42Å; F252-L269 HydrophobicContact CD2-CD2 3.92Å; F252-L269 HydrophobicContact CE1-CD2 4.47Å; F252-L269 HydrophobicContact CE2-CD2 3.42Å; F252-L269 VanDerWaalsContact CE2-CD2 3.42Å; F252-L269 HydrophobicContact CZ-CD2 3.73Å; L267-L269 HydrophobicContact CD2-CD2 4.03Å; L267-L269 HydrophobicContact CG-CD2 4.39Å; L269-Y284 HydrophobicContact CB-CD1 4.17Å; L269-Y284 HydrophobicContact CB-CE1 3.88Å; L269-Y284 HydrophobicContact CD1-CD1 4.3Å; L269-L300 HydrophobicContact CD1-CD1 4.41Å; L269-G305 PolarHBondContact N-O 2.93Å; L269-I307 HydrophobicContact CD1-CD1 4.28Å; L269-V325 HydrophobicContact CD1-CB 3.77Å; L269-V325 HydrophobicContact CD1-CG1 3.38Å; L269-V325 HydrophobicContact CD1-CG2 4.2Å; L269-I345 HydrophobicContact CD1-CD1 4.13Å; L269-I345 HydrophobicContact CD2-CD1 4.03Å | ||
| 270 | N | 90.5 | Very high | 91.1 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 54% | 0.54 | 33% | 0.325 | S | S | . | . | trans | -147.6 | 112.6 | 176 | -169.1 | 5.4 | 0 | 0 | 0 | 109.5 | A248 | A248-N270 PolarHBondContact N-O 3.3Š| ||
| 271 | A | 89.8 | Confident | 91.1 | Very high | 7 Ų | 7 | 57 Ų | 57 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | P245 R246 L247 V282 Y284 A327 | P245-A271 HydrophobicContact CB-CB 4.35Å; R246-A271 VanDerWaalsContact O-CA 3.27Å; R246-A271 WeakPolarHBondContact O-CA 3.06Å; L247-A271 HydrophobicContact CB-CB 4.5Å; L247-A271 HydrophobicContact CD2-CB 3.7Å; L247-A271 HydrophobicContact CG-CB 3.9Å; A271-V282 HydrophobicContact CB-CG1 3.9Å; A271-Y284 HydrophobicContact CB-CE1 4.14Å; A271-Y284 PolarHBondContact N-OH 3.08Å; A271-A327 HydrophobicContact CB-CB 3.57Å |
| 272 | T | 90.5 | Very high | 91.1 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.4 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | R246 | R246-T272 PolarHBondContact N-O 3.47Å; R246-T272 PolarHBondContact O-N 2.96Å |
| 273 | D | 91.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -109.1 | 160.3 | 158.5 | -148.7 | -46.4 | 0 | 0 | 0 | 108.6 | S244 P245 D275 V282 | S244-D273 VanDerWaalsContact CA-OD2 3.24Å; S244-D273 WeakPolarHBondContact CA-OD2 3.26Å; P245-D273 WeakPolarHBondContact CD-OD2 3.33Å; P245-D273 HydrophobicContact CG-CB 4.29Å; P245-D273 VanDerWaalsContact CG-OD2 3.28Å; P245-D273 WeakPolarHBondContact CG-OD2 3.22Å; D273-D275 PolarHBondContact OD1-N 2.87Å; D273-V282 HydrophobicContact CB-CG2 3.96Å | ||
| 274 | I | 91.5 | Very high | 91.1 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | trans | -118 | -11.4 | -175.2 | 61.1 | 175.8 | 0 | 0 | 0 | 113.6 | R210 E211 N243 | R210-I274 PolarHBondContact NH2-O 2.83Å; E211-I274 HydrophobicContact CB-CD1 4.24Å; E211-I274 HydrophobicContact CG-CB 4.21Å; E211-I274 HydrophobicContact CG-CD1 3.67Å; E211-I274 HydrophobicContact CG-CG1 3.72Å; N243-I274 HydrophobicContact CB-CG1 3.91Å | ||
| 275 | D | 93 | Very high | 90.9 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -59.9 | 174.4 | 169 | -63 | -2.9 | 0 | 0 | 0 | 111.4 | R210 N241 N243 D273 R279 G280 | R210-D275 VanDerWaalsContact NH2-C 3.34Å; N241-D275 VanDerWaalsContact CA-OD2 3.25Å; N241-D275 WeakPolarHBondContact CA-OD2 3.05Å; N243-D275 VanDerWaalsContact CB-OD1 3.22Å; N243-D275 WeakPolarHBondContact CB-OD1 3.44Å; N243-D275 PolarHBondContact N-OD1 3.08Å; N243-D275 PolarHBondContact ND2-OD1 2.98Å; D273-D275 PolarHBondContact OD1-N 2.87Å; D275-R279 HydrophobicContact CB-CB 3.71Å; D275-G280 WeakPolarHBondContact O-CA 3.37Å |
| 276 | S | 89.5 | Confident | 90.8 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | trans | -104.9 | 154.6 | -171.7 | -163.9 | 0 | 0 | 0 | 0 | 114.2 | D239 E278 R279 G280 | D239-S276 VanDerWaalsContact CG-CB 3.42Å; D239-S276 WeakPolarHBondContact OD1-CA 3.09Å; D239-S276 WeakPolarHBondContact OD1-CB 3.39Å; D239-S276 PolarHBondContact OD1-N 2.82Å; D239-S276 PolarHBondContact OD2-N 3.48Å; S276-E278 PolarHBondContact O-N 2.04Å; S276-R279 WeakPolarHBondContact O-CB 3.46Å; S276-R279 PolarHBondContact O-N 2.88Å; S276-G280 PolarHBondContact O-N 2.92Å | ||
| 277 | G | 87.8 | Confident | 90.4 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -122.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R279 R281 | G277-R279 VanDerWaalsContact C-N 3.34Å; G277-R281 PolarHBondContact O-N 2.7Å |
| 278 | E | 86.7 | Confident | 89.9 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.6 | 177.2 | -71.2 | -87.4 | 112.9 | 0 | 0 | 113.1 | S276 R281 A330 | S276-E278 PolarHBondContact O-N 2.04Å; E278-R281 WeakPolarHBondContact OE1-CD 3.46Å; E278-R281 IonicContact OE1-CZ 2.69Å; E278-R281 IonicContact OE1-NE 3.44Å; E278-R281 IonicContact OE1-NH1 2.62Å; E278-R281 PolarHBondContact OE1-NH1 3.48Å; E278-R281 IonicContact OE2-NH1 3.13Å; E278-A330 HydrophobicContact CB-CB 4.38Å; E278-A330 WeakPolarHBondContact O-CB 3.49Å; E278-A330 PolarHBondContact O-N 3.45Å |
| 279 | R | 87.1 | Confident | 89.2 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -48.4 | 173.7 | -64.6 | 171.5 | 154.4 | 170.3 | -17.5 | 109.6 | D239 E240 N241 D275 S276 G277 R281 D329 V331 | D239-R279 PolarHBondContact O-NH1 2.83Å; D239-R279 WeakPolarHBondContact OD2-CD 3.33Å; D239-R279 IonicContact OD2-NH1 2.97Å; E240-R279 IonicContact OE2-CZ 2.56Å; E240-R279 IonicContact OE2-NH1 2.88Å; E240-R279 PolarHBondContact OE2-NH1 3.08Å; E240-R279 IonicContact OE2-NH2 2.61Å; E240-R279 PolarHBondContact OE2-NH2 3.42Å; N241-R279 HydrophobicContact CB-CB 4.38Å; N241-R279 HydrophobicContact CB-CG 4.03Å; N241-R279 WeakPolarHBondContact OD1-CB 3.35Å; N241-R279 WeakPolarHBondContact OD1-CG 3.4Å; D275-R279 HydrophobicContact CB-CB 3.71Å; S276-R279 WeakPolarHBondContact O-CB 3.46Å; S276-R279 PolarHBondContact O-N 2.88Å; G277-R279 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.14Å; R279-R281 VanDerWaalsContact O-N 3.08Å; R279-D329 VanDerWaalsContact O-CB 3.26Å; R279-D329 WeakPolarHBondContact O-CB 3.35Å; R279-V331 HydrophobicContact CG-CG2 3.78Å |
| 280 | G | 88.3 | Confident | 88.6 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -66.2 | -6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D275 S276 V282 | D275-G280 WeakPolarHBondContact O-CA 3.37Å; S276-G280 PolarHBondContact O-N 2.92Å; G280-V282 PolarHBondContact O-N 3.26Å |
| 281 | R | 90.6 | Very high | 88.3 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | trans | -87.2 | 102.3 | -174.4 | -177 | -176.7 | 170.7 | -178.6 | -3 | 111.3 | G277 E278 R279 D303 D329 A330 | G277-R281 PolarHBondContact O-N 2.7Å; E278-R281 WeakPolarHBondContact OE1-CD 3.46Å; E278-R281 IonicContact OE1-CZ 2.69Å; E278-R281 IonicContact OE1-NE 3.44Å; E278-R281 IonicContact OE1-NH1 2.62Å; E278-R281 PolarHBondContact OE1-NH1 3.48Å; E278-R281 IonicContact OE2-NH1 3.13Å; R279-R281 PolarHBondContact O-N 3.14Å; R279-R281 VanDerWaalsContact O-N 3.08Å; R281-D303 IonicContact CZ-OD1 2.8Å; R281-D303 IonicContact NE-OD1 3.23Å; R281-D303 IonicContact NH2-OD1 2.72Å; R281-D303 PolarHBondContact NH2-OD1 3.05Å; R281-D329 CarbonylContact O-C 3.54Å; R281-D329 WeakPolarHBondContact O-CA 3.22Å; R281-A330 HydrophobicContact CB-CB 4.01Å; R281-A330 HydrophobicContact CG-CB 4.16Å; R281-A330 PolarHBondContact O-N 2.85Å | ||
| 282 | V | 90.5 | Very high | 88.1 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.6 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | P245 A271 D273 G280 Y284 A327 | P245-V282 HydrophobicContact CB-CG1 4.1Å; P245-V282 HydrophobicContact CB-CG2 3.95Å; P245-V282 HydrophobicContact CG-CG2 4.25Å; A271-V282 HydrophobicContact CB-CG1 3.9Å; D273-V282 HydrophobicContact CB-CG2 3.96Å; G280-V282 PolarHBondContact O-N 3.26Å; V282-Y284 HydrophobicContact CG1-CE1 4.25Å; V282-Y284 HydrophobicContact CG1-CE2 4.02Å; V282-A327 HydrophobicContact CG1-CB 4.04Å |
| 283 | M | 90.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 163.4 | 165.5 | -49.3 | -158.8 | 87.2 | 0 | 0 | 109.8 | R302 D303 A327 C328 A330 | M283-R302 CarbonylContact C-O 3.2Å; M283-R302 WeakPolarHBondContact CA-O 3.36Å; M283-R302 HydrophobicContact CE-CG 4.26Å; M283-R302 PolarHBondContact SD-NH1 3.41Å; M283-D303 WeakPolarHBondContact CE-OD1 3.47Å; M283-A327 CarbonylContact O-C 3.59Å; M283-A327 WeakPolarHBondContact O-CA 3.36Å; M283-C328 PolarHBondContact N-O 2.73Å; M283-C328 PolarHBondContact O-N 2.74Å; M283-C328 PolarHBondContact O-SG 3.38Å; M283-A330 HydrophobicContact CG-CB 4.17Å; M283-A330 HydrophobicContact SD-CB 4.14Å |
| 284 | Y | 91.9 | Very high | 87.9 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.6 | -179.6 | -56.5 | -93.8 | 0 | 0 | 0 | 111.9 | L247 L269 A271 V282 R302 G305 I326 A327 | L247-Y284 HydrophobicContact CD2-CE1 4.14Å; L269-Y284 HydrophobicContact CB-CD1 4.17Å; L269-Y284 HydrophobicContact CB-CE1 3.88Å; L269-Y284 HydrophobicContact CD1-CD1 4.3Å; A271-Y284 HydrophobicContact CB-CE1 4.14Å; A271-Y284 PolarHBondContact N-OH 3.08Å; V282-Y284 HydrophobicContact CG1-CE1 4.25Å; V282-Y284 HydrophobicContact CG1-CE2 4.02Å; Y284-R302 PolarHBondContact N-O 3.31Å; Y284-R302 WeakPolarHBondContact O-CG 3.46Å; Y284-G305 VanDerWaalsContact CD2-N 3.3Å; Y284-I326 CarbonylContact C-O 3.45Å; Y284-I326 WeakPolarHBondContact CA-O 3.33Å; Y284-A327 HydrophobicContact CD1-CB 4.26Å; Y284-A327 HydrophobicContact CE1-CB 4.25Å |
| 285 | S | 90.8 | Very high | 87.8 | Confident | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.9 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | L300 V325 I326 | S285-L300 VanDerWaalsContact C-CD2 3.45Å; S285-V325 CarbonylContact O-C 3.52Å; S285-V325 WeakPolarHBondContact O-CA 3.28Å; S285-V325 WeakPolarHBondContact O-CG1 3.35Å; S285-I326 PolarHBondContact N-O 2.79Å; S285-I326 PolarHBondContact O-N 3.34Å |
| 286 | F | 91.4 | Very high | 87.6 | Confident | 32 Ų | 32 | 58 Ų | 58 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 146.9 | 162.8 | -66 | -68.9 | 0 | 0 | 0 | 109.8 | I290 L294 T295 L300 F323 V325 | F286-I290 HydrophobicContact CB-CD1 3.54Å; F286-I290 HydrophobicContact CB-CG1 3.97Å; F286-L294 HydrophobicContact CD1-CD2 3.75Å; F286-L294 HydrophobicContact CE1-CD2 3.67Å; F286-L294 HydrophobicContact CE1-CG 4.15Å; F286-L294 HydrophobicContact CG-CD2 4.49Å; F286-L294 HydrophobicContact CZ-CD2 4.36Å; F286-L294 HydrophobicContact CZ-CG 4.49Å; F286-T295 HydrophobicContact CD2-CG2 4.42Å; F286-T295 HydrophobicContact CE2-CG2 4.47Å; F286-L300 HydrophobicContact CD1-CD2 4.45Å; F286-L300 HydrophobicContact CD2-CB 4.21Å; F286-L300 HydrophobicContact CD2-CD2 4.38Å; F286-L300 HydrophobicContact CE1-CB 4.24Å; F286-L300 HydrophobicContact CE2-CB 3.64Å; F286-L300 HydrophobicContact CG-CD2 4.32Å; F286-L300 HydrophobicContact CZ-CB 3.66Å; F286-F323 AromaticContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CE2 4.2Å; F286-F323 AromaticContact CE1-CD2 3.82Å; F286-F323 HydrophobicContact CE1-CD2 3.82Å; F286-F323 AromaticContact CE1-CE2 3.72Å; F286-F323 HydrophobicContact CE1-CE2 3.72Å; F286-V325 HydrophobicContact CD1-CG2 3.94Å; F286-V325 HydrophobicContact CE1-CG2 4.34Å |
| 287 | H | 87.6 | Confident | 87.8 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.8 | -171 | -176.2 | 88.1 | 0 | 0 | 0 | 112.2 | K324 I326 | H287-K324 HydrophobicContact CB-CB 4.16Å; H287-K324 PolarHBondContact N-O 2.86Å; H287-I326 HydrophobicContact CB-CB 3.89Å; H287-I326 HydrophobicContact CB-CG2 3.92Å |
| 288 | G | 83.2 | Confident | 88.1 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 82.3 | -151.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 289 | N | 79.5 | Confident | 88.5 | Confident | 172 Ų | 172 | 52.1 Ų | 52.1 | 92% | 0.92 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -81.8 | 117 | 174.5 | -169.7 | 29 | 0 | 0 | 0 | 109.3 | ||
| 290 | I | 79.5 | Confident | 88.8 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 36% | 0.359 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 119.5 | -171.2 | -57.9 | 162.3 | 0 | 0 | 0 | 108.9 | F286 L294 T295 | F286-I290 HydrophobicContact CB-CD1 3.54Å; F286-I290 HydrophobicContact CB-CG1 3.97Å; I290-L294 HydrophobicContact CG2-CD2 4.22Å; I290-T295 HydrophobicContact CG2-CG2 3.45Å; I290-T295 VanDerWaalsContact CG2-CG2 3.45Å |
| 291 | D | 82.3 | Confident | 89.1 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 133.8 | 171 | -170.5 | -27.3 | 0 | 0 | 0 | 110.1 | D293 L294 R318 | D291-D293 VanDerWaalsContact C-N 3.28Å; D291-D293 PolarHBondContact O-N 2.95Å; D291-D293 WeakPolarHBondContact OD1-CB 3.07Å; D291-D293 PolarHBondContact OD1-N 3.31Å; D291-L294 HydrophobicContact CB-CB 4.25Å; D291-L294 WeakPolarHBondContact O-CB 3.36Å; D291-L294 PolarHBondContact O-N 2.86Å; D291-L294 VanDerWaalsContact O-N 3.15Å; D291-R318 IonicContact OD1-NH1 2.73Å; D291-R318 IonicContact OD2-CZ 3.62Å; D291-R318 VanDerWaalsContact OD2-CZ 3.23Å; D291-R318 IonicContact OD2-NH1 2.54Å; D291-R318 PolarHBondContact OD2-NH1 3.31Å; D291-R318 IonicContact OD2-NH2 2.83Å; D291-R318 PolarHBondContact OD2-NH2 2.72Å |
| 292 | S | 85.5 | Confident | 89.1 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 58% | 0.58 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | L294 T295 E296 | S292-L294 PolarHBondContact O-N 2.85Å; S292-T295 PolarHBondContact O-N 2.73Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 PolarHBondContact O-OG1 2.96Å; S292-E296 WeakPolarHBondContact O-CG 3.4Å; S292-E296 PolarHBondContact O-N 2.74Å |
| 293 | D | 87.7 | Confident | 89.1 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 177.2 | 172.7 | 34.4 | 0 | 0 | 0 | 111.5 | D291 T295 E296 T297 R318 Y321 | D291-D293 VanDerWaalsContact C-N 3.28Å; D291-D293 PolarHBondContact O-N 2.95Å; D291-D293 WeakPolarHBondContact OD1-CB 3.07Å; D291-D293 PolarHBondContact OD1-N 3.31Å; D293-T295 PolarHBondContact O-N 2.92Å; D293-E296 PolarHBondContact O-N 2.95Å; D293-T297 WeakPolarHBondContact O-CB 3.39Å; D293-T297 PolarHBondContact O-N 2.9Å; D293-T297 PolarHBondContact O-OG1 3.49Å; D293-T297 PolarHBondContact OD1-OG1 3.45Å; D293-R318 WeakPolarHBondContact OD2-CD 3.47Å; D293-R318 IonicContact OD2-CZ 3.44Å; D293-R318 IonicContact OD2-NE 3.9Å; D293-R318 IonicContact OD2-NH1 3.21Å; D293-R318 PolarHBondContact OD2-NH1 2.82Å; D293-Y321 WeakPolarHBondContact OD2-CE1 3.3Å; D293-Y321 PolarHBondContact OD2-OH 2.93Å |
| 294 | L | 91.2 | Very high | 89.2 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 174.9 | -174.1 | 78.8 | 0 | 0 | 0 | 111.9 | F286 I290 D291 S292 E296 F298 Y321 F323 | F286-L294 HydrophobicContact CD1-CD2 3.75Å; F286-L294 HydrophobicContact CE1-CD2 3.67Å; F286-L294 HydrophobicContact CE1-CG 4.15Å; F286-L294 HydrophobicContact CG-CD2 4.49Å; F286-L294 HydrophobicContact CZ-CD2 4.36Å; F286-L294 HydrophobicContact CZ-CG 4.49Å; I290-L294 HydrophobicContact CG2-CD2 4.22Å; D291-L294 HydrophobicContact CB-CB 4.25Å; D291-L294 WeakPolarHBondContact O-CB 3.36Å; D291-L294 PolarHBondContact O-N 2.86Å; D291-L294 VanDerWaalsContact O-N 3.15Å; S292-L294 PolarHBondContact O-N 2.85Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 2.97Å; L294-F298 HydrophobicContact CD1-CD2 3.95Å; L294-F298 PolarHBondContact O-N 3.49Å; L294-Y321 HydrophobicContact CD1-CD1 3.96Å; L294-F323 HydrophobicContact CD1-CB 4.17Å; L294-F323 HydrophobicContact CD1-CD1 3.38Å; L294-F323 HydrophobicContact CD1-CD2 4.28Å; L294-F323 HydrophobicContact CD1-CE1 3.68Å; L294-F323 HydrophobicContact CD1-CG 3.71Å; L294-F323 HydrophobicContact CD1-CZ 4.22Å; L294-F323 HydrophobicContact CD2-CB 3.45Å; L294-F323 VanDerWaalsContact CD2-CB 3.45Å; L294-F323 HydrophobicContact CD2-CD1 4.19Å; L294-F323 HydrophobicContact CD2-CD2 3.84Å; L294-F323 HydrophobicContact CD2-CG 3.59Å; L294-F323 HydrophobicContact CG-CB 4.46Å; L294-F323 HydrophobicContact CG-CD1 4.42Å; L294-F323 HydrophobicContact CG-CG 4.29Å |
| 295 | T | 88.6 | Confident | 89.2 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.9 | -19.2 | -178.6 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | F286 I290 S292 D293 R310 | F286-T295 HydrophobicContact CD2-CG2 4.42Å; F286-T295 HydrophobicContact CE2-CG2 4.47Å; I290-T295 HydrophobicContact CG2-CG2 3.45Å; I290-T295 VanDerWaalsContact CG2-CG2 3.45Å; S292-T295 PolarHBondContact O-N 2.73Å; S292-T295 VanDerWaalsContact O-N 3.09Å; S292-T295 PolarHBondContact O-OG1 2.96Å; D293-T295 PolarHBondContact O-N 2.92Å; T295-R310 PolarHBondContact O-NH1 2.76Å |
| 296 | E | 90 | Very high | 89.5 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -88.2 | -33 | 175.4 | -68.4 | -160.6 | 160.9 | 0 | 0 | 112.3 | S292 D293 L294 R311 | S292-E296 WeakPolarHBondContact O-CG 3.4Å; S292-E296 PolarHBondContact O-N 2.74Å; D293-E296 PolarHBondContact O-N 2.95Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 2.97Å; E296-R311 VanDerWaalsContact CD-NH2 3.28Å; E296-R311 WeakPolarHBondContact O-CD 2.93Å; E296-R311 WeakPolarHBondContact O-CG 3.37Å; E296-R311 IonicContact OE1-NH2 2.67Å; E296-R311 IonicContact OE2-CZ 3.22Å; E296-R311 IonicContact OE2-NH1 2.68Å; E296-R311 PolarHBondContact OE2-NH1 2.7Å; E296-R311 IonicContact OE2-NH2 3Å; E296-R311 PolarHBondContact OE2-NH2 3.07Å |
| 297 | T | 92.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.4 | -29.8 | -179.1 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | D293 L309 R310 R311 L313 Y321 | D293-T297 WeakPolarHBondContact O-CB 3.39Å; D293-T297 PolarHBondContact O-N 2.9Å; D293-T297 PolarHBondContact O-OG1 3.49Å; D293-T297 PolarHBondContact OD1-OG1 3.45Å; T297-L309 HydrophobicContact CG2-CD1 4.26Å; T297-R310 WeakPolarHBondContact O-CA 3.45Å; T297-R310 WeakPolarHBondContact O-CB 3.17Å; T297-R310 PolarHBondContact O-N 3.21Å; T297-R311 PolarHBondContact O-N 3.36Å; T297-L313 HydrophobicContact CG2-CD2 3.69Å; T297-Y321 HydrophobicContact CG2-CE1 4.32Å |
| 298 | F | 94.7 | Very high | 90 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.1 | 177.4 | -60.4 | -81.9 | 0 | 0 | 0 | 113.3 | L256 V266 L294 I307 K308 L309 L313 Y321 F347 | L256-F298 HydrophobicContact CD1-CE1 3.99Å; L256-F298 HydrophobicContact CD1-CZ 4.04Å; V266-F298 HydrophobicContact CG2-CD1 3.97Å; V266-F298 HydrophobicContact CG2-CE1 3.94Å; L294-F298 HydrophobicContact CD1-CD2 3.95Å; L294-F298 PolarHBondContact O-N 3.49Å; F298-I307 HydrophobicContact CB-CG2 4.04Å; F298-I307 HydrophobicContact CD1-CG2 4.11Å; F298-I307 HydrophobicContact CG-CG2 4.36Å; F298-K308 CarbonylContact C-O 3.52Å; F298-K308 WeakPolarHBondContact CA-O 3.13Å; F298-L309 HydrophobicContact CD1-CD1 4.06Å; F298-L309 HydrophobicContact CE1-CD1 3.61Å; F298-L309 HydrophobicContact CZ-CD1 4.15Å; F298-L313 HydrophobicContact CE1-CD2 4.48Å; F298-L313 HydrophobicContact CE2-CD2 4.4Å; F298-L313 HydrophobicContact CZ-CD2 3.79Å; F298-Y321 HydrophobicContact CD2-CD1 4.35Å; F298-Y321 AromaticContact CE2-CD1 3.82Å; F298-Y321 HydrophobicContact CE2-CD1 3.82Å; F298-Y321 AromaticContact CE2-CD2 3.88Å; F298-Y321 HydrophobicContact CE2-CD2 3.88Å; F298-Y321 AromaticContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE2 4.06Å; F298-Y321 AromaticContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CZ-CD2 4.34Å; F298-F347 HydrophobicContact CD1-CD2 4.25Å; F298-F347 AromaticContact CD1-CE2 3.97Å; F298-F347 HydrophobicContact CD1-CE2 3.97Å; F298-F347 AromaticContact CE1-CD2 3.68Å; F298-F347 HydrophobicContact CE1-CD2 3.68Å; F298-F347 AromaticContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE2-CD2 4.06Å; F298-F347 HydrophobicContact CG-CE2 4.47Å; F298-F347 AromaticContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CE2 4.14Å |
| 299 | E | 94.1 | Very high | 90.6 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.4 | 175 | -176.8 | 177.6 | 148.4 | 0 | 0 | 109.6 | I307 K308 R310 | E299-I307 WeakPolarHBondContact O-CA 3.39Å; E299-K308 HydrophobicContact CB-CB 4.4Å; E299-K308 PolarHBondContact N-O 2.85Å; E299-K308 PolarHBondContact O-N 2.83Å; E299-R310 HydrophobicContact CB-CB 4.35Å |
| 300 | L | 94.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 115.6 | 169.6 | 174.1 | 66.9 | 0 | 0 | 0 | 109.4 | L269 S285 F286 R302 I307 V325 | L269-L300 HydrophobicContact CD1-CD1 4.41Å; S285-L300 VanDerWaalsContact C-CD2 3.45Å; F286-L300 HydrophobicContact CD1-CD2 4.45Å; F286-L300 HydrophobicContact CD2-CB 4.21Å; F286-L300 HydrophobicContact CD2-CD2 4.38Å; F286-L300 HydrophobicContact CE1-CB 4.24Å; F286-L300 HydrophobicContact CE2-CB 3.64Å; F286-L300 HydrophobicContact CG-CD2 4.32Å; F286-L300 HydrophobicContact CZ-CB 3.66Å; L300-R302 PolarHBondContact O-N 2.85Å; L300-I307 HydrophobicContact CD1-CD1 4.48Å; L300-I307 HydrophobicContact CD1-CG1 3.71Å; L300-V325 HydrophobicContact CD1-CG1 4.35Å; L300-V325 HydrophobicContact CD2-CG1 3.71Å; L300-V325 HydrophobicContact CD2-CG2 4.05Å |
| 301 | V | 94 | Very high | 91.7 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | trans | -79.5 | 112.4 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | D303 T304 G305 E306 K308 | V301-D303 VanDerWaalsContact C-N 3.33Å; V301-D303 PolarHBondContact O-N 3.25Å; V301-T304 VanDerWaalsContact CB-OG1 3.28Å; V301-T304 WeakPolarHBondContact CB-OG1 3.23Å; V301-T304 HydrophobicContact CG1-CG2 4.16Å; V301-T304 WeakPolarHBondContact CG1-OG1 3.38Å; V301-T304 PolarHBondContact O-N 3.02Å; V301-G305 PolarHBondContact O-N 2.94Å; V301-E306 HydrophobicContact CB-CB 4.2Å; V301-E306 HydrophobicContact CG2-CB 4.09Å; V301-E306 PolarHBondContact N-O 2.9Å; V301-K308 HydrophobicContact CG2-CD 3.86Å | ||
| 302 | R | 91.6 | Very high | 92 | Very high | 92 Ų | 92 | 51 Ų | 51 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -37.3 | -165.7 | -148.4 | -168.3 | -171.1 | -141 | 1.5 | 114.8 | M283 Y284 L300 R333 C335 | M283-R302 CarbonylContact C-O 3.2Å; M283-R302 WeakPolarHBondContact CA-O 3.36Å; M283-R302 HydrophobicContact CE-CG 4.26Å; M283-R302 PolarHBondContact SD-NH1 3.41Å; Y284-R302 PolarHBondContact N-O 3.31Å; Y284-R302 WeakPolarHBondContact O-CG 3.46Å; L300-R302 PolarHBondContact O-N 2.85Å; R302-R333 PolarHBondContact NH2-O 3.17Å; R302-C335 PolarHBondContact NH2-SG 2.81Å |
| 303 | D | 90.4 | Very high | 92.3 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -23.1 | -176.5 | -66.5 | -85.6 | 0 | 0 | 0 | 114 | R281 M283 V301 | R281-D303 IonicContact CZ-OD1 2.8Å; R281-D303 IonicContact NE-OD1 3.23Å; R281-D303 IonicContact NH2-OD1 2.72Å; R281-D303 PolarHBondContact NH2-OD1 3.05Å; M283-D303 WeakPolarHBondContact CE-OD1 3.47Å; V301-D303 VanDerWaalsContact C-N 3.33Å; V301-D303 PolarHBondContact O-N 3.25Å |
| 304 | T | 92.2 | Very high | 92.2 | Very high | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -25.1 | -174.4 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | Q268 V301 E306 | Q268-T304 PolarHBondContact NE2-O 2.82Å; V301-T304 VanDerWaalsContact CB-OG1 3.28Å; V301-T304 WeakPolarHBondContact CB-OG1 3.23Å; V301-T304 HydrophobicContact CG1-CG2 4.16Å; V301-T304 WeakPolarHBondContact CG1-OG1 3.38Å; V301-T304 PolarHBondContact O-N 3.02Å; T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 PolarHBondContact O-N 2.98Å; T304-E306 WeakPolarHBondContact OG1-CG 3.4Å; T304-E306 PolarHBondContact OG1-N 3.49Å; T304-E306 PolarHBondContact OG1-OE2 3.42Å |
| 305 | G | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 75.7 | 10.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L269 Y284 V301 | L269-G305 PolarHBondContact N-O 2.93Å; Y284-G305 VanDerWaalsContact CD2-N 3.3Å; V301-G305 PolarHBondContact O-N 2.94Å | ||
| 306 | E | 95.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.7 | 168.8 | -65.9 | 165.4 | 106 | 0 | 0 | 110 | V265 V301 T304 K308 | V265-E306 HydrophobicContact CG1-CB 4.22Å; V265-E306 HydrophobicContact CG1-CG 4.29Å; V265-E306 HydrophobicContact CG2-CB 4.39Å; V265-E306 HydrophobicContact CG2-CG 4.29Å; V265-E306 WeakPolarHBondContact CG2-OE1 3.29Å; V301-E306 HydrophobicContact CB-CB 4.2Å; V301-E306 HydrophobicContact CG2-CB 4.09Å; V301-E306 PolarHBondContact N-O 2.9Å; T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 PolarHBondContact O-N 2.98Å; T304-E306 WeakPolarHBondContact OG1-CG 3.4Å; T304-E306 PolarHBondContact OG1-N 3.49Å; T304-E306 PolarHBondContact OG1-OE2 3.42Å; E306-K308 HydrophobicContact CB-CG 4.47Å; E306-K308 VanDerWaalsContact CD-CE 3.44Å; E306-K308 WeakPolarHBondContact OE1-CE 3.4Å; E306-K308 IonicContact OE1-NZ 3.21Å; E306-K308 PolarHBondContact OE1-NZ 3.27Å; E306-K308 IonicContact OE2-NZ 2.69Å; E306-K308 PolarHBondContact OE2-NZ 2.81Å |
| 307 | I | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.2 | 163.7 | -59.2 | 170.5 | 0 | 0 | 0 | 107 | V265 V266 L267 L269 F298 E299 L300 F323 V325 I345 F347 | V265-I307 CarbonylContact C-O 3.59Å; V265-I307 WeakPolarHBondContact CA-O 3.16Å; V266-I307 HydrophobicContact CG2-CB 4.22Å; V266-I307 HydrophobicContact CG2-CG2 3.82Å; V266-I307 VanDerWaalsContact CG2-O 3.24Å; V266-I307 WeakPolarHBondContact CG2-O 3.38Å; V266-I307 PolarHBondContact N-O 2.84Å; L267-I307 HydrophobicContact CB-CB 4.45Å; L267-I307 HydrophobicContact CB-CD1 4.41Å; L267-I307 HydrophobicContact CD2-CD1 4.31Å; L267-I307 PolarHBondContact N-O 2.95Å; L267-I307 PolarHBondContact O-N 2.87Å; L269-I307 HydrophobicContact CD1-CD1 4.28Å; F298-I307 HydrophobicContact CB-CG2 4.04Å; F298-I307 HydrophobicContact CD1-CG2 4.11Å; F298-I307 HydrophobicContact CG-CG2 4.36Å; E299-I307 WeakPolarHBondContact O-CA 3.39Å; L300-I307 HydrophobicContact CD1-CD1 4.48Å; L300-I307 HydrophobicContact CD1-CG1 3.71Å; I307-F323 HydrophobicContact CD1-CE2 3.96Å; I307-F323 HydrophobicContact CD1-CZ 4.1Å; I307-V325 HydrophobicContact CD1-CG2 4.46Å; I307-I345 HydrophobicContact CD1-CD1 3.65Å; I307-F347 HydrophobicContact CD1-CZ 4.25Å; I307-F347 HydrophobicContact CG2-CE2 3.91Å; I307-F347 HydrophobicContact CG2-CZ 4.1Å |
| 308 | K | 94.7 | Very high | 91.1 | Very high | 50 Ų | 50 | 54 Ų | 54 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.1 | -178.2 | -76.1 | 166.6 | 177 | 156.7 | 0 | 110.8 | T264 V265 F298 E299 V301 E306 | T264-K308 CarbonylContact O-C 3.54Å; T264-K308 WeakPolarHBondContact O-CA 3.42Å; V265-K308 HydrophobicContact CB-CG 4.5Å; V265-K308 HydrophobicContact CG2-CD 4.3Å; V265-K308 VanDerWaalsContact CG2-CE 3.46Å; V265-K308 HydrophobicContact CG2-CG 3.75Å; F298-K308 CarbonylContact C-O 3.52Å; F298-K308 WeakPolarHBondContact CA-O 3.13Å; E299-K308 HydrophobicContact CB-CB 4.4Å; E299-K308 PolarHBondContact N-O 2.85Å; E299-K308 PolarHBondContact O-N 2.83Å; V301-K308 HydrophobicContact CG2-CD 3.86Å; E306-K308 HydrophobicContact CB-CG 4.47Å; E306-K308 VanDerWaalsContact CD-CE 3.44Å; E306-K308 WeakPolarHBondContact OE1-CE 3.4Å; E306-K308 IonicContact OE1-NZ 3.21Å; E306-K308 PolarHBondContact OE1-NZ 3.27Å; E306-K308 IonicContact OE2-NZ 2.69Å; E306-K308 PolarHBondContact OE2-NZ 2.81Å |
| 309 | L | 95.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.1 | 172.9 | -173.4 | 67.2 | 0 | 0 | 0 | 109.9 | I260 G263 T264 V266 T297 F298 R311 L313 | I260-L309 HydrophobicContact CB-CD2 4.03Å; I260-L309 HydrophobicContact CG2-CD2 3.7Å; I260-L309 VanDerWaalsContact O-CD2 3.31Å; I260-L309 WeakPolarHBondContact O-CD2 3.35Å; G263-L309 PolarHBondContact N-O 3.27Å; T264-L309 PolarHBondContact O-N 3.31Å; V266-L309 HydrophobicContact CG1-CB 4.23Å; T297-L309 HydrophobicContact CG2-CD1 4.26Å; F298-L309 HydrophobicContact CD1-CD1 4.06Å; F298-L309 HydrophobicContact CE1-CD1 3.61Å; F298-L309 HydrophobicContact CZ-CD1 4.15Å; L309-R311 WeakPolarHBondContact CD1-O 3.25Å; L309-R311 WeakPolarHBondContact CG-O 3.33Å; L309-L313 HydrophobicContact CD1-CD1 4.26Å; L309-L313 HydrophobicContact CD1-CD2 3.67Å; L309-L313 HydrophobicContact CD1-CG 3.73Å; L309-L313 HydrophobicContact CD2-CG 4.27Å |
| 310 | R | 92.3 | Very high | 90.6 | Very high | 136 Ų | 136 | 57.4 Ų | 57.4 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | trans | -106.4 | -26 | -172.3 | -168.2 | -177.3 | -176.1 | -164.8 | 1.4 | 113.5 | V262 T295 T297 E299 | V262-R310 WeakPolarHBondContact CG1-O 3.28Å; T295-R310 PolarHBondContact O-NH1 2.76Å; T297-R310 WeakPolarHBondContact O-CA 3.45Å; T297-R310 WeakPolarHBondContact O-CB 3.17Å; T297-R310 PolarHBondContact O-N 3.21Å; E299-R310 HydrophobicContact CB-CB 4.35Å | ||
| 311 | R | 90.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 42% | 0.419 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -130.6 | 159.6 | 170.8 | -72.9 | 178.3 | 175.2 | 169.4 | 6.4 | 109.8 | E296 T297 L309 | E296-R311 VanDerWaalsContact CD-NH2 3.28Å; E296-R311 WeakPolarHBondContact O-CD 2.93Å; E296-R311 WeakPolarHBondContact O-CG 3.37Å; E296-R311 IonicContact OE1-NH2 2.67Å; E296-R311 IonicContact OE2-CZ 3.22Å; E296-R311 IonicContact OE2-NH1 2.68Å; E296-R311 PolarHBondContact OE2-NH1 2.7Å; E296-R311 IonicContact OE2-NH2 3Å; E296-R311 PolarHBondContact OE2-NH2 3.07Å; T297-R311 PolarHBondContact O-N 3.36Å; L309-R311 WeakPolarHBondContact CD1-O 3.25Å; L309-R311 WeakPolarHBondContact CG-O 3.33Å |
| 312 | P | 89.1 | Confident | 90.5 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | trans | -55.5 | 146.9 | 167.9 | -21.1 | 33.6 | 0 | 0 | 0 | 110.8 | V262 | V262-P312 HydrophobicContact CG2-CG 4.02Š| ||
| 313 | L | 90.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | trans | -85.2 | 159.1 | 168.1 | -60.5 | 172.9 | 0 | 0 | 0 | 109.3 | L256 E258 T297 F298 L309 Y321 V349 | L256-L313 HydrophobicContact CB-CD1 3.75Å; L256-L313 HydrophobicContact CD1-CD1 4.05Å; E258-L313 HydrophobicContact CB-CB 4.1Å; T297-L313 HydrophobicContact CG2-CD2 3.69Å; F298-L313 HydrophobicContact CE1-CD2 4.48Å; F298-L313 HydrophobicContact CE2-CD2 4.4Å; F298-L313 HydrophobicContact CZ-CD2 3.79Å; L309-L313 HydrophobicContact CD1-CD1 4.26Å; L309-L313 HydrophobicContact CD1-CD2 3.67Å; L309-L313 HydrophobicContact CD1-CG 3.73Å; L309-L313 HydrophobicContact CD2-CG 4.27Å; L313-Y321 HydrophobicContact CD2-CE2 4.18Å; L313-V349 HydrophobicContact CB-CG1 4.17Å; L313-V349 HydrophobicContact CD1-CG1 4.39Å; L313-V349 HydrophobicContact CD1-CG2 4.36Å | ||
| 314 | A | 87.2 | Confident | 90.6 | Very high | 27 Ų | 27 | 59 Ų | 59 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | trans | -148.4 | 109 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | E258 N316 I317 R318 | E258-A314 WeakPolarHBondContact OE2-CA 3.37Å; A314-N316 WeakPolarHBondContact CB-OD1 3.48Å; A314-N316 PolarHBondContact O-N 2.82Å; A314-I317 HydrophobicContact CB-CB 4.2Å; A314-I317 HydrophobicContact CB-CD1 3.93Å; A314-I317 HydrophobicContact CB-CG1 4.01Å; A314-I317 PolarHBondContact O-N 3.48Å; A314-R318 PolarHBondContact O-N 2.84Å | ||
| 315 | A | 85 | Confident | 90.6 | Very high | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E258 I317 V349 D351 | E258-A315 PolarHBondContact OE2-N 2.64Å; A315-I317 VanDerWaalsContact C-N 3.35Å; A315-V349 HydrophobicContact CB-CB 4.47Å; A315-V349 HydrophobicContact CB-CG1 3.92Å; A315-D351 HydrophobicContact CB-CB 3.98Å |
| 316 | N | 81.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -20.6 | 176 | 63.7 | -1.2 | 0 | 0 | 0 | 114.6 | A314 F355 D419 T421 | A314-N316 WeakPolarHBondContact CB-OD1 3.48Å; A314-N316 PolarHBondContact O-N 2.82Å; N316-F355 WeakPolarHBondContact ND2-CE2 3.24Å; N316-D419 WeakPolarHBondContact CB-O 3.43Å; N316-D419 PolarHBondContact ND2-O 2.8Å; N316-T421 HydrophobicContact CB-CG2 4.06Å |
| 317 | I | 84.9 | Confident | 90.4 | Very high | 144 Ų | 144 | 54.3 Ų | 54.3 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -45.9 | 173.2 | -61.9 | 179.4 | 0 | 0 | 0 | 110.1 | A314 A315 | A314-I317 HydrophobicContact CB-CB 4.2Å; A314-I317 HydrophobicContact CB-CD1 3.93Å; A314-I317 HydrophobicContact CB-CG1 4.01Å; A314-I317 PolarHBondContact O-N 3.48Å; A315-I317 VanDerWaalsContact C-N 3.35Å |
| 318 | R | 86 | Confident | 90.1 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 25% | 0.249 | 27% | 0.268 | C | S | . | . | trans | -154.1 | 113.8 | -178.4 | -169.6 | 164.8 | -174.9 | 159.8 | 10.5 | 112.2 | D291 D293 A314 S320 Y321 V349 | D291-R318 IonicContact OD1-NH1 2.73Å; D291-R318 IonicContact OD2-CZ 3.62Å; D291-R318 VanDerWaalsContact OD2-CZ 3.23Å; D291-R318 IonicContact OD2-NH1 2.54Å; D291-R318 PolarHBondContact OD2-NH1 3.31Å; D291-R318 IonicContact OD2-NH2 2.83Å; D291-R318 PolarHBondContact OD2-NH2 2.72Å; D293-R318 WeakPolarHBondContact OD2-CD 3.47Å; D293-R318 IonicContact OD2-CZ 3.44Å; D293-R318 IonicContact OD2-NE 3.9Å; D293-R318 IonicContact OD2-NH1 3.21Å; D293-R318 PolarHBondContact OD2-NH1 2.82Å; A314-R318 PolarHBondContact O-N 2.84Å; R318-S320 WeakPolarHBondContact CG-O 3.33Å; R318-S320 PolarHBondContact NE-O 2.9Å; R318-Y321 HydrophobicContact CB-CE2 4.28Å; R318-Y321 HydrophobicContact CG-CD2 4.42Å; R318-Y321 HydrophobicContact CG-CE2 4Å; R318-V349 WeakPolarHBondContact O-CG2 3.41Å | ||
| 319 | D | 87.6 | Confident | 89.8 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 60% | 0.599 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -81.6 | -18.5 | 178.9 | 68.7 | -23.1 | 0 | 0 | 0 | 113.6 | T348 V349 | D319-T348 CarbonylContact O-C 3.52Å; D319-T348 WeakPolarHBondContact O-CA 3.05Å; D319-V349 PolarHBondContact O-N 2.72Å |
| 320 | S | 92.3 | Very high | 89.2 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 136.1 | -173.5 | -170.1 | 0 | 0 | 0 | 0 | 114.7 | R318 F347 | R318-S320 WeakPolarHBondContact CG-O 3.33Å; R318-S320 PolarHBondContact NE-O 2.9Å; S320-F347 WeakPolarHBondContact CA-O 3.34Å |
| 321 | Y | 92.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116 | 169.3 | -64.9 | -98.7 | 0 | 0 | 0 | 109.3 | D293 L294 T297 F298 L313 R318 T346 F347 V349 | D293-Y321 WeakPolarHBondContact OD2-CE1 3.3Å; D293-Y321 PolarHBondContact OD2-OH 2.93Å; L294-Y321 HydrophobicContact CD1-CD1 3.96Å; T297-Y321 HydrophobicContact CG2-CE1 4.32Å; F298-Y321 HydrophobicContact CD2-CD1 4.35Å; F298-Y321 AromaticContact CE2-CD1 3.82Å; F298-Y321 HydrophobicContact CE2-CD1 3.82Å; F298-Y321 AromaticContact CE2-CD2 3.88Å; F298-Y321 HydrophobicContact CE2-CD2 3.88Å; F298-Y321 AromaticContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE1 3.98Å; F298-Y321 HydrophobicContact CE2-CE2 4.06Å; F298-Y321 AromaticContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CE2-CG 3.77Å; F298-Y321 HydrophobicContact CZ-CD2 4.34Å; L313-Y321 HydrophobicContact CD2-CE2 4.18Å; R318-Y321 HydrophobicContact CB-CE2 4.28Å; R318-Y321 HydrophobicContact CG-CD2 4.42Å; R318-Y321 HydrophobicContact CG-CE2 4Å; Y321-T346 CarbonylContact O-C 3.47Å; Y321-T346 WeakPolarHBondContact O-CA 3.44Å; Y321-F347 PolarHBondContact N-O 2.8Å; Y321-F347 PolarHBondContact O-N 3.2Å; Y321-V349 HydrophobicContact CD2-CG2 4.41Å; Y321-V349 HydrophobicContact CE2-CG2 4.22Å |
| 322 | E | 92.3 | Very high | 88.2 | Confident | 152 Ų | 152 | 47.1 Ų | 47.1 | 71% | 0.71 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.2 | 173.7 | -173.5 | 177.4 | -169.9 | 0 | 0 | 109.7 | I345 | E322-I345 WeakPolarHBondContact CA-O 3.36Å |
| 323 | F | 92.9 | Very high | 87.4 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 166.5 | -174.7 | 61 | -80.9 | 0 | 0 | 0 | 112.5 | F286 L294 I307 V325 I345 F347 | F286-F323 AromaticContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CD2 3.89Å; F286-F323 HydrophobicContact CD1-CE2 4.2Å; F286-F323 AromaticContact CE1-CD2 3.82Å; F286-F323 HydrophobicContact CE1-CD2 3.82Å; F286-F323 AromaticContact CE1-CE2 3.72Å; F286-F323 HydrophobicContact CE1-CE2 3.72Å; L294-F323 HydrophobicContact CD1-CB 4.17Å; L294-F323 HydrophobicContact CD1-CD1 3.38Å; L294-F323 HydrophobicContact CD1-CD2 4.28Å; L294-F323 HydrophobicContact CD1-CE1 3.68Å; L294-F323 HydrophobicContact CD1-CG 3.71Å; L294-F323 HydrophobicContact CD1-CZ 4.22Å; L294-F323 HydrophobicContact CD2-CB 3.45Å; L294-F323 VanDerWaalsContact CD2-CB 3.45Å; L294-F323 HydrophobicContact CD2-CD1 4.19Å; L294-F323 HydrophobicContact CD2-CD2 3.84Å; L294-F323 HydrophobicContact CD2-CG 3.59Å; L294-F323 HydrophobicContact CG-CB 4.46Å; L294-F323 HydrophobicContact CG-CD1 4.42Å; L294-F323 HydrophobicContact CG-CG 4.29Å; I307-F323 HydrophobicContact CD1-CE2 3.96Å; I307-F323 HydrophobicContact CD1-CZ 4.1Å; F323-V325 HydrophobicContact CD2-CG2 4.04Å; F323-V325 HydrophobicContact CE2-CG2 3.93Å; F323-I345 HydrophobicContact CD1-CB 4.32Å; F323-I345 HydrophobicContact CD1-CG2 4.45Å; F323-I345 HydrophobicContact CD2-CB 4.18Å; F323-I345 HydrophobicContact CD2-CD1 4.37Å; F323-I345 HydrophobicContact CE1-CB 4.03Å; F323-I345 HydrophobicContact CE1-CG2 3.7Å; F323-I345 HydrophobicContact CE2-CB 3.88Å; F323-I345 HydrophobicContact CE2-CD1 3.75Å; F323-I345 HydrophobicContact CE2-CG1 4.34Å; F323-I345 HydrophobicContact CE2-CG2 3.99Å; F323-I345 HydrophobicContact CG-CB 4.41Å; F323-I345 HydrophobicContact CZ-CB 3.81Å; F323-I345 HydrophobicContact CZ-CD1 4.23Å; F323-I345 HydrophobicContact CZ-CG2 3.44Å; F323-I345 VanDerWaalsContact CZ-CG2 3.44Å; F323-I345 PolarHBondContact N-O 3.49Å; F323-I345 PolarHBondContact O-N 3.38Å; F323-F347 AromaticContact CE1-CD2 3.88Å; F323-F347 HydrophobicContact CE1-CD2 3.88Å; F323-F347 AromaticContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CG 4.24Å; F323-F347 HydrophobicContact CE1-CZ 4.41Å; F323-F347 HydrophobicContact CZ-CD2 4.12Å; F323-F347 HydrophobicContact CZ-CE1 4.49Å; F323-F347 AromaticContact CZ-CE2 3.72Å; F323-F347 HydrophobicContact CZ-CE2 3.72Å; F323-F347 AromaticContact CZ-CZ 3.93Å; F323-F347 HydrophobicContact CZ-CZ 3.93Å |
| 324 | K | 91.9 | Very high | 86.6 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.1 | 174.6 | -70.1 | 172.6 | 177.4 | -74.7 | 0 | 111.2 | H287 A343 D344 | H287-K324 HydrophobicContact CB-CB 4.16Å; H287-K324 PolarHBondContact N-O 2.86Å; K324-A343 WeakPolarHBondContact CA-O 3.12Å; K324-D344 IonicContact NZ-OD1 2.71Å; K324-D344 PolarHBondContact NZ-OD1 3.42Å |
| 325 | V | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139 | 167.3 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | L269 S285 F286 L300 I307 F323 T342 A343 I345 | L269-V325 HydrophobicContact CD1-CB 3.77Å; L269-V325 HydrophobicContact CD1-CG1 3.38Å; L269-V325 HydrophobicContact CD1-CG2 4.2Å; S285-V325 CarbonylContact O-C 3.52Å; S285-V325 WeakPolarHBondContact O-CA 3.28Å; S285-V325 WeakPolarHBondContact O-CG1 3.35Å; F286-V325 HydrophobicContact CD1-CG2 3.94Å; F286-V325 HydrophobicContact CE1-CG2 4.34Å; L300-V325 HydrophobicContact CD1-CG1 4.35Å; L300-V325 HydrophobicContact CD2-CG1 3.71Å; L300-V325 HydrophobicContact CD2-CG2 4.05Å; I307-V325 HydrophobicContact CD1-CG2 4.46Å; F323-V325 HydrophobicContact CD2-CG2 4.04Å; F323-V325 HydrophobicContact CE2-CG2 3.93Å; V325-T342 CarbonylContact O-C 3.57Å; V325-T342 WeakPolarHBondContact O-CA 3.31Å; V325-A343 PolarHBondContact N-O 3.07Å; V325-A343 VanDerWaalsContact N-O 3.08Å; V325-A343 PolarHBondContact O-N 2.88Å; V325-I345 HydrophobicContact CB-CD1 4.05Å; V325-I345 HydrophobicContact CG2-CD1 3.7Å |
| 326 | I | 91.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.8 | 175.1 | -166.6 | 158.1 | 0 | 0 | 0 | 110.3 | Y284 S285 H287 C335 S341 T342 | Y284-I326 CarbonylContact C-O 3.45Å; Y284-I326 WeakPolarHBondContact CA-O 3.33Å; S285-I326 PolarHBondContact N-O 2.79Å; S285-I326 PolarHBondContact O-N 3.34Å; H287-I326 HydrophobicContact CB-CB 3.89Å; H287-I326 HydrophobicContact CB-CG2 3.92Å; I326-C335 HydrophobicContact CG2-CB 3.96Å; I326-S341 CarbonylContact C-O 3.51Å; I326-S341 WeakPolarHBondContact CA-O 3.23Å; I326-T342 HydrophobicContact CB-CG2 4.09Å; I326-T342 HydrophobicContact CD1-CG2 3.75Å; I326-T342 HydrophobicContact CG1-CG2 3.86Å |
| 327 | A | 91.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P245 L247 A271 V282 M283 Y284 S341 | P245-A327 HydrophobicContact CB-CB 3.79Å; L247-A327 HydrophobicContact CD2-CB 4.42Å; L247-A327 HydrophobicContact CG-CB 4.18Å; A271-A327 HydrophobicContact CB-CB 3.57Å; V282-A327 HydrophobicContact CG1-CB 4.04Å; M283-A327 CarbonylContact O-C 3.59Å; M283-A327 WeakPolarHBondContact O-CA 3.36Å; Y284-A327 HydrophobicContact CD1-CB 4.26Å; Y284-A327 HydrophobicContact CE1-CB 4.25Å; A327-S341 PolarHBondContact N-O 3.32Å; A327-S341 WeakPolarHBondContact O-CB 3.39Å |
| 328 | C | 88.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 142.3 | -174.3 | 33.3 | 0 | 0 | 0 | 0 | 110.1 | M283 C335 | M283-C328 PolarHBondContact N-O 2.73Å; M283-C328 PolarHBondContact O-N 2.74Å; M283-C328 PolarHBondContact O-SG 3.38Å; C328-C335 HydrophobicContact CB-CB 3.51Å; C328-C335 WeakPolarHBondContact CB-SG 3.21Å; C328-C335 WeakPolarHBondContact SG-CB 3.21Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.15Å |
| 329 | D | 88.6 | Confident | 82.7 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 159.7 | 172.6 | 60 | 87.8 | 0 | 0 | 0 | 110.6 | N241 P245 R279 R281 V331 N332 | N241-D329 PolarHBondContact OD1-OD1 3.32Å; P245-D329 HydrophobicContact CG-CB 4.36Å; R279-D329 VanDerWaalsContact O-CB 3.26Å; R279-D329 WeakPolarHBondContact O-CB 3.35Å; R281-D329 CarbonylContact O-C 3.54Å; R281-D329 WeakPolarHBondContact O-CA 3.22Å; D329-V331 PolarHBondContact O-N 2.96Å; D329-V331 WeakPolarHBondContact OD1-CA 3.36Å; D329-V331 WeakPolarHBondContact OD1-CB 3.26Å; D329-V331 PolarHBondContact OD1-N 2.61Å; D329-V331 VanDerWaalsContact OD1-N 3.14Å; D329-N332 VanDerWaalsContact OD1-CB 3.22Å; D329-N332 WeakPolarHBondContact OD1-CB 3.34Å; D329-N332 PolarHBondContact OD1-N 2.82Å; D329-N332 WeakPolarHBondContact OD2-CB 3.38Å |
| 330 | A | 83.8 | Confident | 82 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -75.2 | -7.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E278 R281 M283 R333 | E278-A330 HydrophobicContact CB-CB 4.38Å; E278-A330 WeakPolarHBondContact O-CB 3.49Å; E278-A330 PolarHBondContact O-N 3.45Å; R281-A330 HydrophobicContact CB-CB 4.01Å; R281-A330 HydrophobicContact CG-CB 4.16Å; R281-A330 PolarHBondContact O-N 2.85Å; M283-A330 HydrophobicContact CG-CB 4.17Å; M283-A330 HydrophobicContact SD-CB 4.14Å; A330-R333 WeakPolarHBondContact O-CG 3.43Å; A330-R333 PolarHBondContact O-NE 2.7Å |
| 331 | V | 82.5 | Confident | 81.6 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -84.5 | -47.9 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | R279 D329 R333 | R279-V331 HydrophobicContact CG-CG2 3.78Å; D329-V331 PolarHBondContact O-N 2.96Å; D329-V331 WeakPolarHBondContact OD1-CA 3.36Å; D329-V331 WeakPolarHBondContact OD1-CB 3.26Å; D329-V331 PolarHBondContact OD1-N 2.61Å; D329-V331 VanDerWaalsContact OD1-N 3.14Å; V331-R333 PolarHBondContact O-N 2.84Å |
| 332 | N | 78.2 | Confident | 81.4 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | trans | -74.1 | 59.3 | 170.5 | -172.2 | -2.6 | 0 | 0 | 0 | 110.9 | D329 A334 C335 S336 | D329-N332 VanDerWaalsContact OD1-CB 3.22Å; D329-N332 WeakPolarHBondContact OD1-CB 3.34Å; D329-N332 PolarHBondContact OD1-N 2.82Å; D329-N332 WeakPolarHBondContact OD2-CB 3.38Å; N332-A334 PolarHBondContact O-N 3.47Å; N332-C335 PolarHBondContact O-N 3.45Å; N332-C335 PolarHBondContact OD1-N 3.18Å; N332-S336 PolarHBondContact ND2-O 3.25Å; N332-S336 PolarHBondContact OD1-N 2.78Å; N332-S336 PolarHBondContact OD1-OG 3.21Å; N332-S336 VanDerWaalsContact OD1-OG 3.08Å | ||
| 333 | R | 72.7 | Confident | 81.4 | Confident | 175 Ų | 175 | 49.6 Ų | 49.6 | 66% | 0.66 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21 | -177.5 | -66.2 | -176.9 | 174.7 | -170.7 | -3.1 | 114.4 | R302 A330 V331 | R302-R333 PolarHBondContact NH2-O 3.17Å; A330-R333 WeakPolarHBondContact O-CG 3.43Å; A330-R333 PolarHBondContact O-NE 2.7Å; V331-R333 PolarHBondContact O-N 2.84Å |
| 334 | A | 73.9 | Confident | 81.3 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 70% | 0.702 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -15 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N332 S336 | N332-A334 PolarHBondContact O-N 3.47Å; A334-S336 PolarHBondContact O-N 3.02Å |
| 335 | C | 77.7 | Confident | 81.5 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | trans | 53.4 | 37.4 | -176 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | R302 I326 C328 N332 G337 | R302-C335 PolarHBondContact NH2-SG 2.81Å; I326-C335 HydrophobicContact CG2-CB 3.96Å; C328-C335 HydrophobicContact CB-CB 3.51Å; C328-C335 WeakPolarHBondContact CB-SG 3.21Å; C328-C335 WeakPolarHBondContact SG-CB 3.21Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.15Å; N332-C335 PolarHBondContact O-N 3.45Å; N332-C335 PolarHBondContact OD1-N 3.18Å; C335-G337 PolarHBondContact O-N 2.89Å | ||
| 336 | S | 70.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | trans | -81.6 | 93.3 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | N332 A334 | N332-S336 PolarHBondContact ND2-O 3.25Å; N332-S336 PolarHBondContact OD1-N 2.78Å; N332-S336 PolarHBondContact OD1-OG 3.21Å; N332-S336 VanDerWaalsContact OD1-OG 3.08Å; A334-S336 PolarHBondContact O-N 3.02Å | ||
| 337 | G | 63.7 | Low | 81.7 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | trans | -128.1 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C335 | C335-G337 PolarHBondContact O-N 2.89Š| ||
| 338 | N | 66.8 | Low | 81.8 | Confident | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | trans | -99.6 | 166.7 | -174.9 | 50.8 | 27.1 | 0 | 0 | 0 | 112.1 | N340 S341 | N338-N340 PolarHBondContact O-N 2.66Å; N338-N340 VanDerWaalsContact O-N 3.11Å; N338-S341 PolarHBondContact O-N 2.81Å; N338-S341 PolarHBondContact OD1-OG 3.26Å | ||
| 339 | E | 64.6 | Low | 81.9 | Confident | 171 Ų | 171 | 50.6 Ų | 50.6 | 80% | 0.799 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -56.1 | -33.5 | -173 | -62.9 | -170.1 | 144.7 | 0 | 0 | 113.8 | S341 T342 | E339-S341 PolarHBondContact O-N 3.15Å; E339-T342 PolarHBondContact O-N 3.42Å; E339-T342 PolarHBondContact O-OG1 2.98Å |
| 340 | N | 71.9 | Confident | 81.9 | Confident | 121 Ų | 121 | 53.8 Ų | 53.8 | 65% | 0.647 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -62.4 | -22.4 | 178 | -70.2 | -18.4 | 0 | 0 | 0 | 113.9 | N338 | N338-N340 PolarHBondContact O-N 2.66Å; N338-N340 VanDerWaalsContact O-N 3.11Å |
| 341 | S | 83.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -92.4 | 1.9 | 176.6 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | P245 L247 I326 A327 N338 E339 | P245-S341 WeakPolarHBondContact O-CB 3.08Å; P245-S341 PolarHBondContact O-OG 3.32Å; L247-S341 VanDerWaalsContact CD1-O 3.24Å; L247-S341 WeakPolarHBondContact CD1-O 3.38Å; I326-S341 CarbonylContact C-O 3.51Å; I326-S341 WeakPolarHBondContact CA-O 3.23Å; A327-S341 PolarHBondContact N-O 3.32Å; A327-S341 WeakPolarHBondContact O-CB 3.39Å; N338-S341 PolarHBondContact O-N 2.81Å; N338-S341 PolarHBondContact OD1-OG 3.26Å; E339-S341 PolarHBondContact O-N 3.15Å |
| 342 | T | 89.5 | Confident | 82.2 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.9 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 113 | L247 V325 I326 E339 | L247-T342 VanDerWaalsContact CD1-C 3.48Å; V325-T342 CarbonylContact O-C 3.57Å; V325-T342 WeakPolarHBondContact O-CA 3.31Å; I326-T342 HydrophobicContact CB-CG2 4.09Å; I326-T342 HydrophobicContact CD1-CG2 3.75Å; I326-T342 HydrophobicContact CG1-CG2 3.86Å; E339-T342 PolarHBondContact O-N 3.42Å; E339-T342 PolarHBondContact O-OG1 2.98Å |
| 343 | A | 91.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L247 T250 F252 K324 V325 | L247-A343 HydrophobicContact CD1-CB 3.79Å; T250-A343 CarbonylContact O-C 3.55Å; T250-A343 VanDerWaalsContact O-CA 3.26Å; T250-A343 WeakPolarHBondContact O-CA 3.18Å; F252-A343 HydrophobicContact CD2-CB 4.04Å; F252-A343 HydrophobicContact CE2-CB 3.88Å; K324-A343 WeakPolarHBondContact CA-O 3.12Å; V325-A343 PolarHBondContact N-O 3.07Å; V325-A343 VanDerWaalsContact N-O 3.08Å; V325-A343 PolarHBondContact O-N 2.88Å |
| 344 | D | 92.3 | Very high | 83.2 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 132.5 | 166.6 | -57 | -33.5 | 0 | 0 | 0 | 109.2 | T250 R251 F252 K324 | T250-D344 PolarHBondContact O-N 3.09Å; R251-D344 CarbonylContact C-O 3.57Å; R251-D344 VanDerWaalsContact CA-O 3.3Å; R251-D344 WeakPolarHBondContact CA-O 3.45Å; R251-D344 HydrophobicContact CG-CB 4.25Å; R251-D344 IonicContact CZ-OD2 3.8Å; R251-D344 IonicContact NE-OD2 3.57Å; R251-D344 IonicContact NH1-OD2 2.7Å; R251-D344 PolarHBondContact NH1-OD2 3.3Å; R251-D344 IonicContact NH2-OD2 3.63Å; R251-D344 PolarHBondContact NH2-OD2 3.07Å; F252-D344 PolarHBondContact N-O 3.39Å; K324-D344 IonicContact NZ-OD1 2.71Å; K324-D344 PolarHBondContact NZ-OD1 3.42Å |
| 345 | I | 94.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.7 | -179.1 | -54 | 178.4 | 0 | 0 | 0 | 108.8 | F252 L267 L269 I307 E322 F323 V325 F347 | F252-I345 HydrophobicContact CB-CG1 4.43Å; F252-I345 HydrophobicContact CB-CG2 4.45Å; F252-I345 HydrophobicContact CD2-CG1 4.26Å; F252-I345 WeakPolarHBondContact O-CA 3.36Å; L267-I345 HydrophobicContact CD2-CD1 4.1Å; L267-I345 HydrophobicContact CD2-CG1 4.41Å; L267-I345 HydrophobicContact CD2-CG2 3.93Å; L269-I345 HydrophobicContact CD1-CD1 4.13Å; L269-I345 HydrophobicContact CD2-CD1 4.03Å; I307-I345 HydrophobicContact CD1-CD1 3.65Å; E322-I345 WeakPolarHBondContact CA-O 3.36Å; F323-I345 HydrophobicContact CD1-CB 4.32Å; F323-I345 HydrophobicContact CD1-CG2 4.45Å; F323-I345 HydrophobicContact CD2-CB 4.18Å; F323-I345 HydrophobicContact CD2-CD1 4.37Å; F323-I345 HydrophobicContact CE1-CB 4.03Å; F323-I345 HydrophobicContact CE1-CG2 3.7Å; F323-I345 HydrophobicContact CE2-CB 3.88Å; F323-I345 HydrophobicContact CE2-CD1 3.75Å; F323-I345 HydrophobicContact CE2-CG1 4.34Å; F323-I345 HydrophobicContact CE2-CG2 3.99Å; F323-I345 HydrophobicContact CG-CB 4.41Å; F323-I345 HydrophobicContact CZ-CB 3.81Å; F323-I345 HydrophobicContact CZ-CD1 4.23Å; F323-I345 HydrophobicContact CZ-CG2 3.44Å; F323-I345 VanDerWaalsContact CZ-CG2 3.44Å; F323-I345 PolarHBondContact N-O 3.49Å; F323-I345 PolarHBondContact O-N 3.38Å; V325-I345 HydrophobicContact CB-CD1 4.05Å; V325-I345 HydrophobicContact CG2-CD1 3.7Å; I345-F347 HydrophobicContact CG2-CD1 3.69Å; I345-F347 HydrophobicContact CG2-CE1 3.28Å; I345-F347 HydrophobicContact CG2-CZ 3.8Å |
| 346 | T | 94.3 | Very high | 84.2 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.2 | 175.9 | -46.7 | 0 | 0 | 0 | 0 | 109.3 | F252 N253 K254 Y321 | F252-T346 PolarHBondContact O-N 3.24Å; N253-T346 WeakPolarHBondContact CA-O 2.87Å; K254-T346 PolarHBondContact N-O 2.79Å; Y321-T346 CarbonylContact O-C 3.47Å; Y321-T346 WeakPolarHBondContact O-CA 3.44Å |
| 347 | F | 95 | Very high | 85.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.7 | 171.7 | -63.4 | -14.7 | 0 | 0 | 0 | 109.5 | K254 L256 V266 L267 F298 I307 S320 Y321 F323 I345 | K254-F347 HydrophobicContact CB-CD1 3.63Å; K254-F347 HydrophobicContact CB-CE1 3.91Å; K254-F347 HydrophobicContact CG-CD1 4.4Å; K254-F347 HydrophobicContact CG-CE1 4.46Å; K254-F347 WeakPolarHBondContact O-CA 3.37Å; L256-F347 HydrophobicContact CD1-CB 3.87Å; L256-F347 HydrophobicContact CD1-CD2 3.76Å; L256-F347 HydrophobicContact CD1-CE2 4.42Å; L256-F347 HydrophobicContact CD1-CG 3.86Å; L256-F347 HydrophobicContact CG-CB 4.49Å; V266-F347 HydrophobicContact CG2-CD2 4.45Å; V266-F347 HydrophobicContact CG2-CE2 3.55Å; V266-F347 HydrophobicContact CG2-CZ 3.76Å; L267-F347 HydrophobicContact CB-CE1 4.01Å; L267-F347 HydrophobicContact CB-CZ 3.81Å; L267-F347 HydrophobicContact CD2-CE1 3.96Å; L267-F347 HydrophobicContact CD2-CZ 4.26Å; F298-F347 HydrophobicContact CD1-CD2 4.25Å; F298-F347 AromaticContact CD1-CE2 3.97Å; F298-F347 HydrophobicContact CD1-CE2 3.97Å; F298-F347 AromaticContact CE1-CD2 3.68Å; F298-F347 HydrophobicContact CE1-CD2 3.68Å; F298-F347 AromaticContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE1-CE2 3.79Å; F298-F347 HydrophobicContact CE2-CD2 4.06Å; F298-F347 HydrophobicContact CG-CE2 4.47Å; F298-F347 AromaticContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CD2 3.58Å; F298-F347 HydrophobicContact CZ-CE2 4.14Å; I307-F347 HydrophobicContact CD1-CZ 4.25Å; I307-F347 HydrophobicContact CG2-CE2 3.91Å; I307-F347 HydrophobicContact CG2-CZ 4.1Å; S320-F347 WeakPolarHBondContact CA-O 3.34Å; Y321-F347 PolarHBondContact N-O 2.8Å; Y321-F347 PolarHBondContact O-N 3.2Å; F323-F347 AromaticContact CE1-CD2 3.88Å; F323-F347 HydrophobicContact CE1-CD2 3.88Å; F323-F347 AromaticContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CE2 3.98Å; F323-F347 HydrophobicContact CE1-CG 4.24Å; F323-F347 HydrophobicContact CE1-CZ 4.41Å; F323-F347 HydrophobicContact CZ-CD2 4.12Å; F323-F347 HydrophobicContact CZ-CE1 4.49Å; F323-F347 AromaticContact CZ-CE2 3.72Å; F323-F347 HydrophobicContact CZ-CE2 3.72Å; F323-F347 AromaticContact CZ-CZ 3.93Å; F323-F347 HydrophobicContact CZ-CZ 3.93Å; I345-F347 HydrophobicContact CG2-CD1 3.69Å; I345-F347 HydrophobicContact CG2-CE1 3.28Å; I345-F347 HydrophobicContact CG2-CZ 3.8Å |
| 348 | T | 93 | Very high | 86.4 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.7 | 173.4 | 52 | 0 | 0 | 0 | 0 | 110 | K254 R255 L256 D319 | K254-T348 PolarHBondContact O-N 3.3Å; K254-T348 PolarHBondContact O-OG1 3.39Å; R255-T348 WeakPolarHBondContact CA-O 3.25Å; L256-T348 PolarHBondContact N-O 3.23Å; D319-T348 CarbonylContact O-C 3.52Å; D319-T348 WeakPolarHBondContact O-CA 3.05Å |
| 349 | V | 91.4 | Very high | 87.5 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.2 | -180 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | L256 E258 L313 A315 R318 D319 Y321 | L256-V349 CarbonylContact O-C 3.5Å; L256-V349 VanDerWaalsContact O-CA 3.25Å; L256-V349 WeakPolarHBondContact O-CA 3.46Å; E258-V349 HydrophobicContact CB-CG1 3.71Å; L313-V349 HydrophobicContact CB-CG1 4.17Å; L313-V349 HydrophobicContact CD1-CG1 4.39Å; L313-V349 HydrophobicContact CD1-CG2 4.36Å; A315-V349 HydrophobicContact CB-CB 4.47Å; A315-V349 HydrophobicContact CB-CG1 3.92Å; R318-V349 WeakPolarHBondContact O-CG2 3.41Å; D319-V349 PolarHBondContact O-N 2.72Å; Y321-V349 HydrophobicContact CD2-CG2 4.41Å; Y321-V349 HydrophobicContact CE2-CG2 4.22Å |
| 350 | E | 87.9 | Confident | 88.5 | Confident | 76 Ų | 76 | 38.6 Ų | 38.6 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123 | 174.1 | -74 | -177.5 | 152.5 | 0 | 0 | 109.5 | R255 L256 I257 E258 | R255-E350 HydrophobicContact CB-CG 4.32Å; R255-E350 WeakPolarHBondContact CD-OE1 3.42Å; R255-E350 IonicContact CZ-OE1 2.67Å; R255-E350 IonicContact NE-OE1 3.22Å; R255-E350 IonicContact NH1-OE1 3.42Å; R255-E350 PolarHBondContact NH1-OE1 2.75Å; L256-E350 PolarHBondContact O-N 2.81Å; I257-E350 WeakPolarHBondContact CA-O 3.45Å; I257-E350 HydrophobicContact CG2-CB 4.15Å; E258-E350 PolarHBondContact N-O 2.76Å |
| 351 | D | 88.3 | Confident | 89.1 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 140.6 | -179.1 | -169.5 | 103.9 | 0 | 0 | 0 | 112.5 | A315 T421 N424 | A315-D351 HydrophobicContact CB-CB 3.98Å; D351-T421 WeakPolarHBondContact CB-OG1 3.29Å; D351-T421 WeakPolarHBondContact OD1-CA 3.46Å; D351-T421 VanDerWaalsContact OD1-CB 3.26Å; D351-T421 WeakPolarHBondContact OD1-CB 3.07Å; D351-T421 WeakPolarHBondContact OD1-CG2 3.31Å; D351-T421 PolarHBondContact OD1-N 3.07Å; D351-T421 PolarHBondContact OD1-OG1 3.06Å; D351-T421 PolarHBondContact OD2-N 3.28Å; D351-N424 PolarHBondContact OD2-ND2 2.88Å |
| 352 | V | 85.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | trans | -130.9 | 109.7 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | I257 E258 N354 | I257-V352 HydrophobicContact CB-CG2 4.08Å; E258-V352 HydrophobicContact CG-CB 4.34Å; E258-V352 HydrophobicContact CG-CG2 4.38Å; E258-V352 PolarHBondContact OE1-N 2.79Å; V352-N354 VanDerWaalsContact O-CB 3.23Å; V352-N354 WeakPolarHBondContact O-CB 3.5Å; V352-N354 PolarHBondContact O-N 3.37Å; V352-N354 PolarHBondContact O-ND2 3.5Å | ||
| 353 | N | 86.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -48.2 | 97.1 | -173.7 | -161.5 | 116.3 | 0 | 0 | 0 | 113.3 | D420 N424 D483 G485 L490 | N353-D420 WeakPolarHBondContact CA-OD2 3.47Å; N353-D420 VanDerWaalsContact CG-OD2 3.28Å; N353-D420 PolarHBondContact ND2-OD2 2.88Å; N353-N424 HydrophobicContact CB-CB 4.13Å; N353-N424 PolarHBondContact N-ND2 2.9Å; N353-N424 WeakPolarHBondContact OD1-CA 3.33Å; N353-N424 WeakPolarHBondContact OD1-CB 3.26Å; N353-N424 PolarHBondContact OD1-OD1 2.58Å; N353-D483 PolarHBondContact ND2-OD2 2.93Å; N353-G485 WeakPolarHBondContact OD1-CA 3.32Å; N353-L490 WeakPolarHBondContact ND2-CD1 3.21Å; N353-L490 WeakPolarHBondContact ND2-CG 3.43Å |
| 354 | N | 84.7 | Confident | 87.6 | Confident | 77 Ų | 77 | 37.7 Ų | 37.7 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | trans | -136.3 | -20.2 | -168.8 | 79.3 | 92.7 | 0 | 0 | 0 | 114.3 | E258 V352 P356 D420 | E258-N354 PolarHBondContact OE1-ND2 2.79Å; V352-N354 VanDerWaalsContact O-CB 3.23Å; V352-N354 WeakPolarHBondContact O-CB 3.5Å; V352-N354 PolarHBondContact O-N 3.37Å; V352-N354 PolarHBondContact O-ND2 3.5Å; N354-P356 WeakPolarHBondContact O-CD 3.04Å; N354-D420 PolarHBondContact N-OD1 2.76Å; N354-D420 PolarHBondContact N-OD2 2.79Å | ||
| 355 | F | 84.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -91 | 114.5 | 172.1 | -66.3 | -72.7 | 0 | 0 | 0 | 110.8 | N316 D419 D420 | N316-F355 WeakPolarHBondContact ND2-CE2 3.24Å; F355-D419 HydrophobicContact CB-CB 4.02Å; F355-D419 HydrophobicContact CD1-CB 4.33Å; F355-D419 HydrophobicContact CD2-CB 4.06Å; F355-D419 HydrophobicContact CG-CB 3.87Å; F355-D420 VanDerWaalsContact CD2-OD1 3.29Å; F355-D420 WeakPolarHBondContact CD2-OD1 3.42Å; F355-D420 PolarHBondContact N-OD1 2.79Å; F355-D420 PolarHBondContact N-OD2 2.87Å |
| 356 | P | 87.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 150.2 | 175.1 | 30.2 | -34.8 | 0 | 0 | 0 | 111.5 | N354 S358 L490 | N354-P356 WeakPolarHBondContact O-CD 3.04Å; P356-S358 PolarHBondContact O-N 3.14Å; P356-L490 HydrophobicContact CB-CB 3.99Å; P356-L490 HydrophobicContact CB-CD1 4.31Å |
| 357 | P | 90.9 | Very high | 83.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 120.2 | -177.7 | -26.8 | 29.7 | 0 | 0 | 0 | 114.1 | V416 R417 D418 V427 C481 D483 S492 | P357-V416 HydrophobicContact CB-CG1 4.07Å; P357-R417 CarbonylContact C-O 3.53Å; P357-R417 WeakPolarHBondContact CA-O 3.47Å; P357-D418 VanDerWaalsContact CD-OD2 3.31Å; P357-D418 WeakPolarHBondContact CD-OD2 3.49Å; P357-D418 VanDerWaalsContact CG-OD2 3.29Å; P357-D418 WeakPolarHBondContact CG-OD2 3.23Å; P357-V427 HydrophobicContact CB-CG1 3.86Å; P357-V427 HydrophobicContact CG-CG1 3.95Å; P357-C481 HydrophobicContact CB-CB 4.11Å; P357-D483 HydrophobicContact CG-CB 4.09Å; P357-S492 WeakPolarHBondContact O-CB 3.45Å; P357-S492 PolarHBondContact O-OG 2.8Å |
| 358 | S | 88.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.5 | 177 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | P356 V416 R417 | P356-S358 PolarHBondContact O-N 3.14Å; S358-V416 VanDerWaalsContact O-CA 3.31Å; S358-V416 WeakPolarHBondContact O-CA 3.16Å; S358-R417 PolarHBondContact N-O 3.15Å; S358-R417 PolarHBondContact O-N 3.4Å; S358-R417 PolarHBondContact OG-O 2.86Å |
| 359 | I | 90.2 | Very high | 80.2 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 104.1 | -176.3 | -52.1 | 174.6 | 0 | 0 | 0 | 110.6 | L414 V416 V479 C481 S492 R494 | I359-L414 HydrophobicContact CG2-CD2 3.84Å; I359-V416 HydrophobicContact CG1-CG1 4.45Å; I359-V416 HydrophobicContact CG2-CG2 4.4Å; I359-V479 HydrophobicContact CD1-CG1 4.34Å; I359-C481 HydrophobicContact CD1-CB 3.92Å; I359-C481 VanDerWaalsContact CD1-SG 3.58Å; I359-C481 HydrophobicContact CG1-CB 4.15Å; I359-S492 WeakPolarHBondContact CD1-OG 3.4Å; I359-R494 HydrophobicContact CB-CB 4.02Å; I359-R494 HydrophobicContact CD1-CB 4.07Å; I359-R494 HydrophobicContact CG2-CB 3.98Å; I359-R494 WeakPolarHBondContact O-CD 3.33Å; I359-R494 PolarHBondContact O-NH1 3.28Å |
| 360 | H | 85.2 | Confident | 77.9 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 106.1 | 176.8 | -65.3 | -92.6 | 0 | 0 | 0 | 110.8 | L414 T415 | H360-L414 CarbonylContact O-C 3.26Å; H360-L414 WeakPolarHBondContact O-CA 3.36Å; H360-T415 WeakPolarHBondContact CA-O 3.03Å; H360-T415 WeakPolarHBondContact CB-OG1 3.45Å; H360-T415 PolarHBondContact N-O 2.74Å; H360-T415 PolarHBondContact O-N 3.27Å; H360-T415 PolarHBondContact O-OG1 3.19Å |
| 361 | A | 84.4 | Confident | 75.4 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | L414 | A361-L414 HydrophobicContact CB-CD2 3.62Å |
| 362 | V | 81.1 | Confident | 72.5 | Confident | 71 Ų | 71 | 54 Ų | 54 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138.9 | 167.4 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | A412 V413 | V362-A412 CarbonylContact O-C 3.51Å; V362-A412 VanDerWaalsContact O-CA 3.29Å; V362-A412 WeakPolarHBondContact O-CA 3.31Å; V362-A412 WeakPolarHBondContact O-CB 3.19Å; V362-V413 PolarHBondContact N-O 2.87Å; V362-V413 PolarHBondContact O-N 2.04Å; V362-V413 VanDerWaalsContact O-O 3.09Å |
| 363 | A | 79.1 | Confident | 70 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 149.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A367 V369 L400 I411 | A363-A367 HydrophobicContact CB-CB 4.06Å; A363-V369 HydrophobicContact CB-CG2 3.29Å; A363-L400 HydrophobicContact CB-CD2 3.58Å; A363-I411 WeakPolarHBondContact CA-O 3.1Å |
| 364 | A | 74.5 | Confident | 67.3 | Low | 23 Ų | 23 | 63.2 Ų | 63.2 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | trans | -158.8 | 147 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q410 I411 V413 | A364-Q410 HydrophobicContact CB-CG 4.32Å; A364-Q410 CarbonylContact O-C 3.44Å; A364-I411 PolarHBondContact N-O 3.3Å; A364-I411 CarbonylContact O-C 3.57Å; A364-I411 WeakPolarHBondContact O-CA 3.5Å; A364-I411 PolarHBondContact O-N 2.81Å; A364-V413 HydrophobicContact CB-CB 4.47Å; A364-V413 HydrophobicContact CB-CG2 3.76Å | ||
| 365 | G | 72.5 | Confident | 64.6 | Low | 70 Ų | 70 | 68.3 Ų | 68.3 | 72% | 0.722 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -119.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q410 | G365-Q410 WeakPolarHBondContact CA-O 3.33Š|
| 366 | A | 65.6 | Low | 61.9 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L368 I402 S409 Q410 | A366-L368 PolarHBondContact O-N 2.83Å; A366-I402 HydrophobicContact CB-CD1 4.49Å; A366-S409 WeakPolarHBondContact CB-OG 3.46Å; A366-Q410 PolarHBondContact N-O 3.3Å |
| 367 | A | 63.7 | Low | 59.3 | Low | 13 Ų | 13 | 78.8 Ų | 78.8 | 11% | 0.107 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 122.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A363 L400 S401 I411 | A363-A367 HydrophobicContact CB-CB 4.06Å; A367-L400 HydrophobicContact CB-CD2 4.16Å; A367-S401 CarbonylContact C-O 3.52Å; A367-S401 WeakPolarHBondContact CA-O 3.48Å; A367-I411 HydrophobicContact CB-CB 4.09Å; A367-I411 HydrophobicContact CB-CG2 4.33Å; A367-I411 WeakPolarHBondContact CB-O 3.29Å |
| 368 | L | 60.1 | Low | 56.3 | Low | 94 Ų | 94 | 85.6 Ų | 85.6 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -76.3 | 131 | 168.7 | -77.7 | 156.5 | 0 | 0 | 0 | 109 | A366 S401 I501 | A366-L368 PolarHBondContact O-N 2.83Å; L368-S401 WeakPolarHBondContact CB-OG 3.43Å; L368-S401 PolarHBondContact N-O 3.47Å; L368-S401 PolarHBondContact O-OG 3.18Å; L368-I501 HydrophobicContact CB-CD1 4.31Å; L368-I501 HydrophobicContact CD1-CD1 3.71Å |
| 369 | V | 51 | Low | 53.5 | Low | 57 Ų | 57 | 87.3 Ų | 87.3 | 35% | 0.345 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 124.5 | 167.7 | -170.6 | 0 | 0 | 0 | 0 | 108 | A363 S371 D398 | A363-V369 HydrophobicContact CB-CG2 3.29Å; V369-S371 PolarHBondContact O-N 3.46Å; V369-D398 HydrophobicContact CG1-CB 4.31Å |
| 370 | T | 42.7 | Very low | 50.7 | Low | 117 Ų | 117 | 95.7 Ų | 95.7 | 72% | 0.718 | 57% | 0.571 | S | S | * | * | trans | -79.3 | 48 | 173.9 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | S372 | T370-S372 PolarHBondContact O-N 2.99Š| ||
| 371 | S | 34.3 | Very low | 47.9 | Very low | 78 Ų | 78 | 96.6 Ų | 96.6 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | trans | -91.9 | 97.4 | 180 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | V369 | V369-S371 PolarHBondContact O-N 3.46Š| ||
| 372 | S | 29.3 | Very low | 45.5 | Very low | 113 Ų | 113 | 105.9 Ų | 105.9 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | trans | 34.1 | 91.6 | 155.2 | 61.9 | 0 | 0 | 0 | 0 | 118.5 | T370 | T370-S372 PolarHBondContact O-N 2.99Š| ||
| 373 | S | 31.7 | Very low | 42.9 | Very low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 65% | 0.645 | S | S | * | * | trans | -141.7 | 119.2 | 147.4 | 60.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 374 | D | 30.9 | Very low | 40.6 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | cis | 70 | 76.3 | 14.7 | -151.4 | 25.7 | 0 | 0 | 0 | 115.2 | ||||
| 375 | Q | 28.7 | Very low | 38.6 | Very low | 184 Ų | 184 | 119.8 Ų | 119.8 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -152.9 | 88.9 | 145.9 | -74.3 | -154.2 | 7.1 | 0 | 0 | 110.4 | ||||
| 376 | N | 27.5 | Very low | 36.5 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | trans | 178.6 | 75.6 | 145 | -97.5 | -36.1 | 0 | 0 | 0 | 113.2 | ||||
| 377 | K | 32.2 | Very low | 35 | Very low | 207 Ų | 207 | 127.3 Ų | 127.3 | 90% | 0.9 | 74% | 0.735 | S | S | * | * | trans | -153.9 | 123.7 | 150.6 | -113.9 | 170.1 | -174.9 | 176.6 | 0 | 109.2 | ||||
| 378 | V | 29.4 | Very low | 33.5 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | -118.8 | 132.8 | -175.1 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 379 | G | 28.6 | Very low | 32 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 97.8 | 129.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 380 | E | 32.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | cis | -129.2 | 157.5 | 0.7 | -65.7 | -175.2 | 106.5 | 0 | 0 | 111.1 | ||||
| 381 | S | 26.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -111.4 | 130.8 | 172.4 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 382 | K | 33.6 | Very low | 29.8 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -128.6 | 141.4 | 158.2 | -76 | -173.8 | 178.4 | 173.7 | 0 | 109.1 | ||||
| 383 | T | 27.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -106 | 148.4 | -166.6 | 50 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 384 | G | 29.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 125 | 137.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 385 | E | 34.4 | Very low | 29.4 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | cis | -150.7 | 157.5 | -10.6 | -162.4 | 156.4 | -169.9 | 0 | 0 | 108.3 | ||||
| 386 | S | 28.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 125.6 | -170 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 387 | D | 32.5 | Very low | 30.7 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 170.6 | 160.9 | -133.1 | -33.2 | 0 | 0 | 0 | 113 | ||||
| 388 | H | 33.5 | Very low | 31.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | trans | -82.4 | 151.9 | -150.4 | -94.7 | -89.3 | 0 | 0 | 0 | 119 | ||||
| 389 | N | 28.6 | Very low | 33.1 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 63.8 | 90 | 148 | -59.5 | -4.5 | 0 | 0 | 0 | 119.7 | ||||
| 390 | S | 28.1 | Very low | 35.5 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -143.8 | 113.2 | 138.6 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | N392 | S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.38Å; S390-N392 VanDerWaalsContact O-N 3.1Å; S390-N392 PolarHBondContact OG-OD1 2.9Å | ||
| 391 | F | 26.5 | Very low | 37.9 | Very low | 223 Ų | 223 | 121.8 Ų | 121.8 | 98% | 0.978 | 67% | 0.668 | S | S | * | * | trans | -80.1 | 84.8 | 168 | -109.8 | -89.6 | 0 | 0 | 0 | 108.1 | ||||
| 392 | N | 27.7 | Very low | 40.8 | Very low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.2 | 177.1 | -66.6 | -12.9 | 0 | 0 | 0 | 110.2 | S390 | S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.38Å; S390-N392 VanDerWaalsContact O-N 3.1Å; S390-N392 PolarHBondContact OG-OD1 2.9Å |
| 393 | E | 27.1 | Very low | 43.2 | Very low | 182 Ų | 182 | 110.8 Ų | 110.8 | 85% | 0.85 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 132.6 | 178.9 | -62.8 | 177.4 | 115.1 | 0 | 0 | 111.3 | K395 | E393-K395 PolarHBondContact O-N 2.94Š|
| 394 | P | 27 | Very low | 46 | Very low | 113 Ų | 113 | 104.7 Ų | 104.7 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.1 | 166.7 | 28.2 | -31.8 | 0 | 0 | 0 | 108.1 | ||
| 395 | K | 27.7 | Very low | 48.6 | Very low | 187 Ų | 187 | 106 Ų | 106 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 143.2 | 175.6 | -75 | -178.2 | 176.1 | 177.8 | 0 | 110 | E393 G397 | E393-K395 PolarHBondContact O-N 2.94Å; K395-G397 WeakPolarHBondContact O-CA 3.39Å; K395-G397 PolarHBondContact O-N 3.29Å |
| 396 | P | 38.8 | Very low | 50.9 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 86% | 0.864 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -47.3 | 111.3 | -178 | -31.5 | 36.8 | 0 | 0 | 0 | 111.9 | ||
| 397 | G | 45.9 | Very low | 53.7 | Low | 24 Ų | 24 | 96.6 Ų | 96.6 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | trans | -65.6 | 144.1 | -151.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K395 R494 | K395-G397 WeakPolarHBondContact O-CA 3.39Å; K395-G397 PolarHBondContact O-N 3.29Å; G397-R494 PolarHBondContact O-NH2 3.25Å | ||
| 398 | D | 50.2 | Low | 56.2 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | trans | 42.7 | 92.7 | 145 | -50.2 | -13.8 | 0 | 0 | 0 | 114.8 | V369 L400 | V369-D398 HydrophobicContact CG1-CB 4.31Å; D398-L400 PolarHBondContact O-N 3.13Å | ||
| 399 | E | 60.6 | Low | 58.7 | Low | 105 Ų | 105 | 86.4 Ų | 86.4 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | trans | -64.5 | 108.6 | 171.2 | -170 | 157.2 | -149.4 | 0 | 0 | 109.2 | S401 Q499 | E399-S401 PolarHBondContact O-N 2.79Å; E399-Q499 HydrophobicContact CG-CG 4.15Å; E399-Q499 PolarHBondContact OE1-NE2 3.23Å; E399-Q499 PolarHBondContact OE2-NE2 3.39Å; E399-Q499 VanDerWaalsContact OE2-NE2 3.16Å | ||
| 400 | L | 79.9 | Confident | 61.5 | Low | 7 Ų | 7 | 81.5 Ų | 81.5 | 4% | 0.037 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.6 | -172.2 | -68.1 | 166.3 | 0 | 0 | 0 | 109.2 | A363 A367 D398 I411 A412 I496 V498 Q499 | A363-L400 HydrophobicContact CB-CD2 3.58Å; A367-L400 HydrophobicContact CB-CD2 4.16Å; D398-L400 PolarHBondContact O-N 3.13Å; L400-I411 WeakPolarHBondContact CD2-O 3.4Å; L400-A412 HydrophobicContact CD1-CB 4.06Å; L400-A412 HydrophobicContact CD2-CB 4.15Å; L400-I496 HydrophobicContact CD1-CG2 3.48Å; L400-I496 VanDerWaalsContact CD1-CG2 3.48Å; L400-V498 HydrophobicContact CB-CG2 4.3Å; L400-V498 CarbonylContact O-C 3.55Å; L400-V498 VanDerWaalsContact O-CA 3.27Å; L400-V498 WeakPolarHBondContact O-CA 3.16Å; L400-Q499 PolarHBondContact O-N 2.8Å |
| 401 | S | 83.5 | Confident | 64.4 | Low | 5 Ų | 5 | 77.1 Ų | 77.1 | 4% | 0.035 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | 179.4 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | A367 L368 E399 Q499 I501 | A367-S401 CarbonylContact C-O 3.52Å; A367-S401 WeakPolarHBondContact CA-O 3.48Å; L368-S401 WeakPolarHBondContact CB-OG 3.43Å; L368-S401 PolarHBondContact N-O 3.47Å; L368-S401 PolarHBondContact O-OG 3.18Å; E399-S401 PolarHBondContact O-N 2.79Å; S401-Q499 WeakPolarHBondContact CA-O 3.24Å; S401-I501 WeakPolarHBondContact OG-CD1 3.23Å |
| 402 | I | 86.3 | Confident | 67.3 | Low | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.6 | 176 | -167.8 | 175.1 | 0 | 0 | 0 | 108.7 | A366 I411 T463 V498 Q499 I500 I501 | A366-I402 HydrophobicContact CB-CD1 4.49Å; I402-I411 HydrophobicContact CD1-CG2 3.94Å; I402-T463 HydrophobicContact CD1-CG2 4.22Å; I402-V498 HydrophobicContact CG2-CG1 3.83Å; I402-Q499 PolarHBondContact N-O 2.82Å; I402-I500 HydrophobicContact CG2-CG1 4.06Å; I402-I500 CarbonylContact O-C 3.57Å; I402-I500 WeakPolarHBondContact O-CA 3.38Å; I402-I501 PolarHBondContact O-N 2.89Å |
| 403 | L | 84.2 | Confident | 70.2 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 140.2 | 173.1 | -155.5 | 75.4 | 0 | 0 | 0 | 109.5 | S406 I501 V503 | L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 2.75Å; L403-S406 PolarHBondContact O-OG 2.83Å; L403-I501 HydrophobicContact CD1-CB 4.07Å; L403-I501 HydrophobicContact CD1-CG2 3.89Å; L403-V503 HydrophobicContact CD1-CG2 3.54Å; L403-V503 HydrophobicContact CD2-CG2 3.88Å; L403-V503 HydrophobicContact CG-CG2 3.49Å; L403-V503 VanDerWaalsContact CG-CG2 3.49Å |
| 404 | E | 85.1 | Confident | 73.1 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 166.7 | 171.5 | 79.2 | -176 | 112.6 | 0 | 0 | 112.4 | S406 Y469 I500 I501 D502 V503 | E404-S406 PolarHBondContact O-N 3.2Å; E404-Y469 VanDerWaalsContact CD-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE1-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE2-CB 3.44Å; E404-Y469 PolarHBondContact OE2-N 3.15Å; E404-I500 HydrophobicContact CB-CG2 3.55Å; E404-I501 PolarHBondContact N-O 3.13Å; E404-D502 WeakPolarHBondContact OE1-CA 3.34Å; E404-V503 HydrophobicContact CG-CB 4.13Å; E404-V503 HydrophobicContact CG-CG2 3.93Å; E404-V503 PolarHBondContact OE1-N 2.79Å |
| 405 | N | 84.1 | Confident | 76.1 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 3.2 | -171.9 | -69.9 | -59.9 | 0 | 0 | 0 | 115.2 | F467 | N405-F467 PolarHBondContact N-O 2.81Š|
| 406 | S | 84.4 | Confident | 79.1 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 137.5 | 177.1 | -72.8 | 0 | 0 | 0 | 0 | 113 | L403 E404 | L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 2.75Å; L403-S406 PolarHBondContact O-OG 2.83Å; E404-S406 PolarHBondContact O-N 3.2Å |
| 407 | P | 85.9 | Confident | 81.5 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -70.1 | 154.8 | 178.6 | 28.9 | -35.2 | 0 | 0 | 0 | 112.8 | S409 | P407-S409 VanDerWaalsContact O-CB 3.25Å; P407-S409 WeakPolarHBondContact O-CB 3.47Å; P407-S409 PolarHBondContact O-N 3.17Å; P407-S409 VanDerWaalsContact O-N 3.14Å; P407-S409 PolarHBondContact O-OG 3.47Å |
| 408 | P | 86.2 | Confident | 83.6 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -52.1 | 116.8 | 176.3 | -29 | 36.5 | 0 | 0 | 0 | 112.9 | ||
| 409 | S | 85.8 | Confident | 85.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | trans | -152.5 | 173.1 | -162.1 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | A366 P407 R462 T463 | A366-S409 WeakPolarHBondContact CB-OG 3.46Å; P407-S409 VanDerWaalsContact O-CB 3.25Å; P407-S409 WeakPolarHBondContact O-CB 3.47Å; P407-S409 PolarHBondContact O-N 3.17Å; P407-S409 VanDerWaalsContact O-N 3.14Å; P407-S409 PolarHBondContact O-OG 3.47Å; S409-R462 CarbonylContact O-C 3.55Å; S409-R462 WeakPolarHBondContact O-CA 3.35Å; S409-R462 WeakPolarHBondContact O-CB 3.18Å; S409-T463 PolarHBondContact N-OG1 3.4Å; S409-T463 PolarHBondContact O-N 2.72Å; S409-T463 PolarHBondContact O-OG1 2.7Å | ||
| 410 | Q | 87.4 | Confident | 86.7 | Confident | 46 Ų | 46 | 39 Ų | 39 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 140.8 | 170.5 | -171.3 | 170.1 | -1.8 | 0 | 0 | 109.7 | A364 G365 A366 A412 V413 S460 L461 R462 | A364-Q410 HydrophobicContact CB-CG 4.32Å; A364-Q410 CarbonylContact O-C 3.44Å; G365-Q410 WeakPolarHBondContact CA-O 3.33Å; A366-Q410 PolarHBondContact N-O 3.3Å; Q410-A412 PolarHBondContact NE2-O 3.26Å; Q410-V413 VanDerWaalsContact NE2-CG2 3.27Å; Q410-S460 PolarHBondContact NE2-OG 2.94Å; Q410-L461 WeakPolarHBondContact CG-O 3.47Å; Q410-R462 HydrophobicContact CB-CG 4.1Å; Q410-R462 HydrophobicContact CG-CG 4.41Å |
| 411 | I | 87.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -28 | 174.8 | 51.4 | 163.4 | 0 | 0 | 0 | 113.1 | A363 A364 A367 L400 I402 F449 L461 T463 V498 | A363-I411 WeakPolarHBondContact CA-O 3.1Å; A364-I411 PolarHBondContact N-O 3.3Å; A364-I411 CarbonylContact O-C 3.57Å; A364-I411 WeakPolarHBondContact O-CA 3.5Å; A364-I411 PolarHBondContact O-N 2.81Å; A367-I411 HydrophobicContact CB-CB 4.09Å; A367-I411 HydrophobicContact CB-CG2 4.33Å; A367-I411 WeakPolarHBondContact CB-O 3.29Å; L400-I411 WeakPolarHBondContact CD2-O 3.4Å; I402-I411 HydrophobicContact CD1-CG2 3.94Å; I411-F449 HydrophobicContact CD1-CD1 3.79Å; I411-F449 HydrophobicContact CD1-CE1 3.63Å; I411-L461 HydrophobicContact CD1-CD2 3.81Å; I411-L461 HydrophobicContact CD1-CG 4.13Å; I411-L461 HydrophobicContact CG1-CB 4.46Å; I411-L461 HydrophobicContact CG1-CD2 4.17Å; I411-L461 HydrophobicContact CG1-CG 4.14Å; I411-L461 WeakPolarHBondContact CG1-O 3.38Å; I411-L461 PolarHBondContact N-O 2.97Å; I411-T463 HydrophobicContact CD1-CG2 4.04Å; I411-T463 HydrophobicContact CG1-CG2 4.32Å; I411-T463 HydrophobicContact CG2-CG2 3.72Å; I411-V498 HydrophobicContact CD1-CG2 3.71Å |
| 412 | A | 87.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V362 L400 Q410 L461 | V362-A412 CarbonylContact O-C 3.51Å; V362-A412 VanDerWaalsContact O-CA 3.29Å; V362-A412 WeakPolarHBondContact O-CA 3.31Å; V362-A412 WeakPolarHBondContact O-CB 3.19Å; L400-A412 HydrophobicContact CD1-CB 4.06Å; L400-A412 HydrophobicContact CD2-CB 4.15Å; Q410-A412 PolarHBondContact NE2-O 3.26Å; A412-L461 HydrophobicContact CB-CB 4.13Å; A412-L461 HydrophobicContact CB-CD2 4.43Å; A412-L461 PolarHBondContact N-O 3.47Å; A412-L461 PolarHBondContact O-N 3.11Å |
| 413 | V | 88.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 47 Ų | 47 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.7 | 156.6 | 173.1 | 0 | 0 | 0 | 0 | 107.4 | V362 A364 Q410 T415 I458 Y459 | V362-V413 PolarHBondContact N-O 2.87Å; V362-V413 PolarHBondContact O-N 2.04Å; V362-V413 VanDerWaalsContact O-O 3.09Å; A364-V413 HydrophobicContact CB-CB 4.47Å; A364-V413 HydrophobicContact CB-CG2 3.76Å; Q410-V413 VanDerWaalsContact NE2-CG2 3.27Å; V413-T415 HydrophobicContact CG1-CG2 4.46Å; V413-I458 HydrophobicContact CG1-CG2 3.49Å; V413-I458 VanDerWaalsContact CG1-CG2 3.49Å; V413-Y459 CarbonylContact C-O 3.56Å; V413-Y459 WeakPolarHBondContact CA-O 3.46Å |
| 414 | L | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 106.8 | 178.3 | -72.8 | 152.5 | 0 | 0 | 0 | 107.8 | I359 H360 A361 L451 I458 Y459 L461 V479 I496 | I359-L414 HydrophobicContact CG2-CD2 3.84Å; H360-L414 CarbonylContact O-C 3.26Å; H360-L414 WeakPolarHBondContact O-CA 3.36Å; A361-L414 HydrophobicContact CB-CD2 3.62Å; L414-L451 HydrophobicContact CD1-CD1 3.48Å; L414-L451 VanDerWaalsContact CD1-CD1 3.48Å; L414-I458 WeakPolarHBondContact O-CA 3.49Å; L414-Y459 PolarHBondContact N-O 3.29Å; L414-Y459 PolarHBondContact O-N 2.87Å; L414-L461 HydrophobicContact CD1-CB 4.06Å; L414-V479 HydrophobicContact CD1-CG2 3.83Å; L414-I496 HydrophobicContact CD1-CD1 3.99Å; L414-I496 HydrophobicContact CD2-CD1 3.72Å; L414-I496 HydrophobicContact CG-CD1 4.38Å |
| 415 | T | 90.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 46 Ų | 46 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.2 | 167.5 | 51 | 0 | 0 | 0 | 0 | 108.3 | H360 V413 G457 I458 | H360-T415 WeakPolarHBondContact CA-O 3.03Å; H360-T415 WeakPolarHBondContact CB-OG1 3.45Å; H360-T415 PolarHBondContact N-O 2.74Å; H360-T415 PolarHBondContact O-N 3.27Å; H360-T415 PolarHBondContact O-OG1 3.19Å; V413-T415 HydrophobicContact CG1-CG2 4.46Å; T415-G457 CarbonylContact C-O 3.47Å; T415-G457 WeakPolarHBondContact CA-O 3.44Å; T415-I458 HydrophobicContact CG2-CD1 4.4Å; T415-I458 HydrophobicContact CG2-CG1 4.24Å; T415-I458 HydrophobicContact CG2-CG2 4.48Å |
| 416 | V | 89.8 | Confident | 87 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.4 | -178.5 | -172.7 | 0 | 0 | 0 | 0 | 107.1 | P357 S358 I359 V427 G457 Y459 C481 | P357-V416 HydrophobicContact CB-CG1 4.07Å; S358-V416 VanDerWaalsContact O-CA 3.31Å; S358-V416 WeakPolarHBondContact O-CA 3.16Å; I359-V416 HydrophobicContact CG1-CG1 4.45Å; I359-V416 HydrophobicContact CG2-CG2 4.4Å; V416-V427 HydrophobicContact CB-CG2 4.03Å; V416-V427 HydrophobicContact CG1-CB 4.01Å; V416-V427 HydrophobicContact CG1-CG1 4.2Å; V416-V427 HydrophobicContact CG1-CG2 3.8Å; V416-G457 PolarHBondContact N-O 3.14Å; V416-G457 WeakPolarHBondContact O-CA 3.46Å; V416-Y459 HydrophobicContact CG2-CD2 4.12Å; V416-Y459 HydrophobicContact CG2-CE2 4.18Å; V416-C481 HydrophobicContact CG1-CB 4.23Å |
| 417 | R | 89 | Confident | 87.2 | Confident | 170 Ų | 170 | 46.1 Ų | 46.1 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 163.5 | 177.8 | -64.4 | -177.6 | 177.4 | -152.4 | -0.1 | 109.1 | P357 S358 | P357-R417 CarbonylContact C-O 3.53Å; P357-R417 WeakPolarHBondContact CA-O 3.47Å; S358-R417 PolarHBondContact N-O 3.15Å; S358-R417 PolarHBondContact O-N 3.4Å; S358-R417 PolarHBondContact OG-O 2.86Å |
| 418 | D | 89.3 | Confident | 87.4 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | trans | -149.6 | 130.4 | 174.9 | -168.6 | -59.3 | 0 | 0 | 0 | 105.5 | P357 D420 S425 V427 | P357-D418 VanDerWaalsContact CD-OD2 3.31Å; P357-D418 WeakPolarHBondContact CD-OD2 3.49Å; P357-D418 VanDerWaalsContact CG-OD2 3.29Å; P357-D418 WeakPolarHBondContact CG-OD2 3.23Å; D418-D420 WeakPolarHBondContact OD1-CB 3.44Å; D418-D420 PolarHBondContact OD1-N 2.89Å; D418-S425 WeakPolarHBondContact O-CB 3.46Å; D418-S425 WeakPolarHBondContact OD1-CA 3.27Å; D418-V427 HydrophobicContact CB-CG1 3.61Å | ||
| 419 | D | 87.6 | Confident | 87.6 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | trans | -97.6 | 0.1 | -167.1 | -63.7 | -37.4 | 0 | 0 | 0 | 112 | N316 F355 | N316-D419 WeakPolarHBondContact CB-O 3.43Å; N316-D419 PolarHBondContact ND2-O 2.8Å; F355-D419 HydrophobicContact CB-CB 4.02Å; F355-D419 HydrophobicContact CD1-CB 4.33Å; F355-D419 HydrophobicContact CD2-CB 4.06Å; F355-D419 HydrophobicContact CG-CB 3.87Å | ||
| 420 | D | 88.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -69.4 | -173.8 | 163.9 | -65.8 | -29.5 | 0 | 0 | 0 | 110.7 | N353 N354 F355 D418 N424 S425 | N353-D420 WeakPolarHBondContact CA-OD2 3.47Å; N353-D420 VanDerWaalsContact CG-OD2 3.28Å; N353-D420 PolarHBondContact ND2-OD2 2.88Å; N354-D420 PolarHBondContact N-OD1 2.76Å; N354-D420 PolarHBondContact N-OD2 2.79Å; F355-D420 VanDerWaalsContact CD2-OD1 3.29Å; F355-D420 WeakPolarHBondContact CD2-OD1 3.42Å; F355-D420 PolarHBondContact N-OD1 2.79Å; F355-D420 PolarHBondContact N-OD2 2.87Å; D418-D420 WeakPolarHBondContact OD1-CB 3.44Å; D418-D420 PolarHBondContact OD1-N 2.89Å; D420-N424 HydrophobicContact CB-CB 3.57Å; D420-S425 WeakPolarHBondContact O-CB 3.5Å; D420-S425 PolarHBondContact O-OG 2.88Å |
| 421 | T | 84.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 41.7 Ų | 41.7 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | trans | -127.3 | 160.9 | 179 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | N316 D351 D423 N424 S425 | N316-T421 HydrophobicContact CB-CG2 4.06Å; D351-T421 WeakPolarHBondContact CB-OG1 3.29Å; D351-T421 WeakPolarHBondContact OD1-CA 3.46Å; D351-T421 VanDerWaalsContact OD1-CB 3.26Å; D351-T421 WeakPolarHBondContact OD1-CB 3.07Å; D351-T421 WeakPolarHBondContact OD1-CG2 3.31Å; D351-T421 PolarHBondContact OD1-N 3.07Å; D351-T421 PolarHBondContact OD1-OG1 3.06Å; D351-T421 PolarHBondContact OD2-N 3.28Å; T421-D423 PolarHBondContact O-N 3.32Å; T421-D423 VanDerWaalsContact O-N 3.17Å; T421-N424 WeakPolarHBondContact O-CB 3.33Å; T421-N424 PolarHBondContact O-N 2.91Å; T421-S425 WeakPolarHBondContact CA-OG 3.47Å | ||
| 422 | G | 82.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -104.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K426 | G422-K426 VanDerWaalsContact O-CE 3.22Å; G422-K426 WeakPolarHBondContact O-CE 3.39Å |
| 423 | D | 84.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -25.6 | 175.6 | -110.2 | 14.2 | 0 | 0 | 0 | 111.5 | T421 K426 K486 | T421-D423 PolarHBondContact O-N 3.32Å; T421-D423 VanDerWaalsContact O-N 3.17Å; D423-K426 IonicContact OD1-NZ 2.68Å; D423-K426 PolarHBondContact OD1-NZ 2.83Å; D423-K486 IonicContact OD2-NZ 3.35Å; D423-K486 PolarHBondContact OD2-NZ 2.98Å |
| 424 | N | 85.3 | Confident | 84.2 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -53.9 | -175.8 | -65.6 | -12.9 | 0 | 0 | 0 | 109.5 | D351 N353 D420 T421 K426 D483 | D351-N424 PolarHBondContact OD2-ND2 2.88Å; N353-N424 HydrophobicContact CB-CB 4.13Å; N353-N424 PolarHBondContact N-ND2 2.9Å; N353-N424 WeakPolarHBondContact OD1-CA 3.33Å; N353-N424 WeakPolarHBondContact OD1-CB 3.26Å; N353-N424 PolarHBondContact OD1-OD1 2.58Å; D420-N424 HydrophobicContact CB-CB 3.57Å; T421-N424 WeakPolarHBondContact O-CB 3.33Å; T421-N424 PolarHBondContact O-N 2.91Å; N424-K426 PolarHBondContact O-N 2.87Å; N424-D483 WeakPolarHBondContact O-CB 3.43Å |
| 425 | S | 86.1 | Confident | 82 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 21.6 | 179.1 | 49.2 | 0 | 0 | 0 | 0 | 117.7 | D418 D420 T421 | D418-S425 WeakPolarHBondContact O-CB 3.46Å; D418-S425 WeakPolarHBondContact OD1-CA 3.27Å; D420-S425 WeakPolarHBondContact O-CB 3.5Å; D420-S425 PolarHBondContact O-OG 2.88Å; T421-S425 WeakPolarHBondContact CA-OG 3.47Å |
| 426 | K | 86.8 | Confident | 79.5 | Confident | 101 Ų | 101 | 59 Ų | 59 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | trans | -90.1 | 131.9 | 168.7 | -69.8 | 171.7 | -175.5 | 161.4 | 0 | 108.9 | G422 D423 N424 D483 Y484 | G422-K426 VanDerWaalsContact O-CE 3.22Å; G422-K426 WeakPolarHBondContact O-CE 3.39Å; D423-K426 IonicContact OD1-NZ 2.68Å; D423-K426 PolarHBondContact OD1-NZ 2.83Å; N424-K426 PolarHBondContact O-N 2.87Å; K426-D483 CarbonylContact O-C 3.37Å; K426-D483 WeakPolarHBondContact O-CA 3.42Å; K426-Y484 HydrophobicContact CB-CD2 3.59Å; K426-Y484 HydrophobicContact CB-CE2 4.37Å; K426-Y484 HydrophobicContact CB-CG 4.32Å; K426-Y484 WeakPolarHBondContact O-CD2 3.33Å; K426-Y484 PolarHBondContact O-N 3.35Å; K426-Y484 VanDerWaalsContact O-N 3.14Å | ||
| 427 | V | 88.9 | Confident | 77 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | trans | -122.8 | 142.3 | -172.2 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | P357 V416 D418 Y459 H482 | P357-V427 HydrophobicContact CB-CG1 3.86Å; P357-V427 HydrophobicContact CG-CG1 3.95Å; V416-V427 HydrophobicContact CB-CG2 4.03Å; V416-V427 HydrophobicContact CG1-CB 4.01Å; V416-V427 HydrophobicContact CG1-CG1 4.2Å; V416-V427 HydrophobicContact CG1-CG2 3.8Å; D418-V427 HydrophobicContact CB-CG1 3.61Å; V427-Y459 PolarHBondContact O-OH 3.49Å; V427-H482 WeakPolarHBondContact CA-O 3.42Å | ||
| 428 | S | 89.6 | Confident | 74.5 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.3 | -179.1 | 163.4 | 0 | 0 | 0 | 0 | 109.8 | Y459 C481 H482 | S428-Y459 WeakPolarHBondContact CA-OH 3.19Å; S428-C481 CarbonylContact O-C 3.5Å; S428-C481 WeakPolarHBondContact O-CA 3.31Å; S428-H482 VanDerWaalsContact CB-NE2 3.31Å; S428-H482 WeakPolarHBondContact CB-NE2 3.08Å; S428-H482 PolarHBondContact N-O 3.37Å; S428-H482 PolarHBondContact O-CE1 2.94Å; S428-H482 PolarHBondContact O-N 2.83Å; S428-H482 PolarHBondContact O-ND1 2.81Å; S428-H482 VanDerWaalsContact O-ND1 3.15Å; S428-H482 PolarHBondContact OG-CE1 3.05Å; S428-H482 PolarHBondContact OG-NE2 3.48Å |
| 429 | C | 91.8 | Very high | 72.2 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 12% | 0.122 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149 | -169.3 | -52.3 | 0 | 0 | 0 | 0 | 114.4 | L451 Y459 V479 V480 C481 | C429-L451 HydrophobicContact CB-CD2 4.48Å; C429-Y459 HydrophobicContact CB-CD1 4.44Å; C429-Y459 HydrophobicContact CB-CD2 4.41Å; C429-Y459 HydrophobicContact CB-CE1 3.89Å; C429-Y459 HydrophobicContact CB-CE2 3.87Å; C429-Y459 PolarHBondContact N-OH 2.85Å; C429-Y459 VanDerWaalsContact N-OH 3.11Å; C429-Y459 VanDerWaalsContact SG-CE2 3.56Å; C429-V479 HydrophobicContact CB-CG1 4.37Å; C429-V480 CarbonylContact C-O 3.6Å; C429-V480 VanDerWaalsContact CA-O 3.26Å; C429-V480 WeakPolarHBondContact CA-O 3.5Å; C429-C481 HydrophobicContact CB-CB 4.11Å; C429-C481 WeakPolarHBondContact CB-SG 3.48Å; C429-C481 WeakPolarHBondContact SG-CB 3.48Å; C429-C481 CovalentContact SG-SG 2.04Å; C429-C481 PolarHBondContact SG-SG 2.96Å |
| 430 | S | 90.5 | Very high | 69.8 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 43% | 0.427 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 169.2 | 179.8 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | V479 V480 | S430-V479 WeakPolarHBondContact O-CA 3.05Å; S430-V480 PolarHBondContact N-O 3.02Å; S430-V480 PolarHBondContact O-N 2.85Å |
| 431 | L | 88 | Confident | 67.4 | Low | 33 Ų | 33 | 79 Ų | 79 | 17% | 0.173 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.5 | 168.1 | -66.9 | 173.1 | 0 | 0 | 0 | 110 | F449 L451 L461 T477 V479 | L431-F449 HydrophobicContact CD1-CB 4.22Å; L431-L451 HydrophobicContact CD1-CB 3.8Å; L431-L451 HydrophobicContact CD2-CB 4.21Å; L431-L451 HydrophobicContact CD2-CD2 4.45Å; L431-L451 HydrophobicContact CG-CB 3.68Å; L431-L451 HydrophobicContact CG-CD2 4.29Å; L431-L461 HydrophobicContact CD1-CD1 4.4Å; L431-L461 HydrophobicContact CD2-CD1 4.08Å; L431-T477 HydrophobicContact CD2-CG2 4.12Å; L431-V479 HydrophobicContact CD2-CG2 3.67Å |
| 432 | N | 73.9 | Confident | 64.9 | Low | 78 Ų | 78 | 80.1 Ų | 80.1 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | trans | -103 | 76 | 175.4 | -173.1 | 21.2 | 0 | 0 | 0 | 110.2 | T434 T478 V480 | N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 PolarHBondContact O-N 2.85Å; N432-T478 PolarHBondContact N-O 2.89Å; N432-V480 HydrophobicContact CB-CG2 3.69Å | ||
| 433 | D | 59.7 | Low | 62.6 | Low | 49 Ų | 49 | 86 Ų | 86 | 26% | 0.262 | 50% | 0.496 | S | S | . | . | trans | -76.1 | 79.3 | 177.4 | -72.9 | -28.2 | 0 | 0 | 0 | 110.8 | N435 Q447 T477 | D433-N435 PolarHBondContact O-N 2.88Å; D433-N435 VanDerWaalsContact O-N 3.12Å; D433-Q447 PolarHBondContact OD2-NE2 3Å; D433-T477 PolarHBondContact OD1-OG1 3.22Å | ||
| 434 | T | 51.8 | Low | 60.2 | Low | 101 Ų | 101 | 91.7 Ų | 91.7 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -7 | 178.1 | 54 | 0 | 0 | 0 | 0 | 114.3 | N432 S436 | N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 PolarHBondContact O-N 2.85Å; T434-S436 PolarHBondContact O-N 2.98Å |
| 435 | N | 43.9 | Very low | 58 | Low | 140 Ų | 140 | 95.3 Ų | 95.3 | 75% | 0.749 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 23 | 178.7 | -73.8 | 7.4 | 0 | 0 | 0 | 113.6 | D433 N437 | D433-N435 PolarHBondContact O-N 2.88Å; D433-N435 VanDerWaalsContact O-N 3.12Å; N435-N437 PolarHBondContact O-N 2.86Å |
| 436 | S | 38.3 | Very low | 56.3 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | trans | -73.4 | 61.2 | 170.4 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | T434 I438 | T434-S436 PolarHBondContact O-N 2.98Å; S436-I438 PolarHBondContact O-N 2.88Å | ||
| 437 | N | 36.5 | Very low | 55.3 | Low | 123 Ų | 123 | 99.4 Ų | 99.4 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | trans | -62.2 | 108.1 | 171.8 | -89 | -26.3 | 0 | 0 | 0 | 109.9 | N435 L439 | N435-N437 PolarHBondContact O-N 2.86Å; N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.44Å | ||
| 438 | I | 37.8 | Very low | 55 | Low | 172 Ų | 172 | 100.3 Ų | 100.3 | 88% | 0.882 | 57% | 0.568 | S | S | * | * | trans | -72.8 | 82.3 | 178.2 | -53.9 | 178.1 | 0 | 0 | 0 | 109.2 | S436 | S436-I438 PolarHBondContact O-N 2.88Š| ||
| 439 | L | 41 | Very low | 55 | Low | 146 Ų | 146 | 99 Ų | 99 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | trans | -85.4 | 141.2 | 169 | -72.5 | 166.9 | 0 | 0 | 0 | 110 | N437 N441 | N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.44Å; L439-N441 PolarHBondContact O-N 3.34Å | ||
| 440 | S | 35.7 | Very low | 54.8 | Low | 116 Ų | 116 | 102 Ų | 102 | 81% | 0.811 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 18.6 | -151.3 | 55.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 441 | N | 38.2 | Very low | 54.8 | Low | 145 Ų | 145 | 100.6 Ų | 100.6 | 78% | 0.775 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 6.4 | -172.2 | -74.1 | 3.7 | 0 | 0 | 0 | 114.8 | L439 E443 | L439-N441 PolarHBondContact O-N 3.34Å; N441-E443 PolarHBondContact O-N 3.05Å |
| 442 | G | 31.7 | Very low | 54.9 | Low | 77 Ų | 77 | 101.6 Ų | 101.6 | 79% | 0.794 | 57% | 0.568 | S | S | * | * | trans | 71.5 | -5.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 443 | E | 36 | Very low | 55.6 | Low | 178 Ų | 178 | 102.6 Ų | 102.6 | 83% | 0.832 | 58% | 0.579 | S | S | * | * | trans | -72.6 | 122.3 | 173.9 | -167.6 | 157.4 | -132 | 0 | 0 | 109.7 | N441 T445 | N441-E443 PolarHBondContact O-N 3.05Å; E443-T445 PolarHBondContact O-N 3.15Å | ||
| 444 | K | 32.9 | Very low | 56.8 | Low | 195 Ų | 195 | 103.9 Ų | 103.9 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | trans | -68.1 | 114.8 | 177.9 | -73.7 | -175.5 | 176.3 | -176.2 | 0 | 108.9 | T446 | K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.12Å | ||
| 445 | T | 39.1 | Very low | 58.4 | Low | 97 Ų | 97 | 102.6 Ų | 102.6 | 60% | 0.595 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 119.7 | 164.8 | 46.1 | 0 | 0 | 0 | 0 | 109 | E443 Q447 | E443-T445 PolarHBondContact O-N 3.15Å; T445-Q447 PolarHBondContact O-N 3.32Å |
| 446 | T | 50.6 | Low | 60.3 | Low | 110 Ų | 110 | 102.4 Ų | 102.4 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.7 | 179.2 | 39.1 | 0 | 0 | 0 | 0 | 109.2 | K444 N448 | K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.12Å; T446-N448 PolarHBondContact O-N 3.17Å |
| 447 | Q | 66.2 | Low | 62.4 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 133.8 | 173.1 | -61.7 | -173.6 | -94.2 | 0 | 0 | 108.4 | D433 T445 F449 A464 | D433-Q447 PolarHBondContact OD2-NE2 3Å; T445-Q447 PolarHBondContact O-N 3.32Å; Q447-F449 VanDerWaalsContact C-N 3.26Å; Q447-F449 PolarHBondContact O-N 3.12Å; Q447-A464 WeakPolarHBondContact O-CB 3.25Å |
| 448 | N | 82.6 | Confident | 65 | Low | 43 Ų | 43 | 96.2 Ų | 96.2 | 23% | 0.23 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -69.3 | -28.1 | 179.5 | -78.1 | -19 | 0 | 0 | 0 | 111.9 | T446 A464 K465 F467 | T446-N448 PolarHBondContact O-N 3.17Å; N448-A464 PolarHBondContact O-N 3.44Å; N448-K465 WeakPolarHBondContact OD1-CE 3.35Å; N448-K465 PolarHBondContact OD1-NZ 2.85Å; N448-F467 HydrophobicContact CB-CE1 4.5Å; N448-F467 HydrophobicContact CB-CZ 4.44Å |
| 449 | F | 87.9 | Confident | 67.5 | Low | 1 Ų | 1 | 89.1 Ų | 89.1 | 0% | 0.004 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161.1 | -176.1 | -53.2 | -82.1 | 0 | 0 | 0 | 112.7 | I411 L431 Q447 L461 R462 T463 I475 T477 V498 | I411-F449 HydrophobicContact CD1-CD1 3.79Å; I411-F449 HydrophobicContact CD1-CE1 3.63Å; L431-F449 HydrophobicContact CD1-CB 4.22Å; Q447-F449 VanDerWaalsContact C-N 3.26Å; Q447-F449 PolarHBondContact O-N 3.12Å; F449-L461 HydrophobicContact CB-CD1 3.99Å; F449-R462 CarbonylContact C-O 3.5Å; F449-R462 WeakPolarHBondContact CA-O 3.4Å; F449-R462 WeakPolarHBondContact CB-O 3.47Å; F449-T463 HydrophobicContact CD1-CG2 4.21Å; F449-T463 HydrophobicContact CE1-CG2 4.08Å; F449-I475 HydrophobicContact CE2-CG2 3.81Å; F449-I475 HydrophobicContact CZ-CB 4.43Å; F449-I475 HydrophobicContact CZ-CG2 3.8Å; F449-T477 HydrophobicContact CB-CG2 4.44Å; F449-T477 HydrophobicContact CD2-CG2 3.47Å; F449-T477 VanDerWaalsContact CD2-CG2 3.47Å; F449-T477 HydrophobicContact CE2-CG2 3.8Å; F449-T477 HydrophobicContact CG-CG2 4.01Å; F449-V498 HydrophobicContact CE1-CG2 3.95Å; F449-V498 HydrophobicContact CZ-CB 4.48Å; F449-V498 HydrophobicContact CZ-CG2 3.98Å |
| 450 | I | 88.9 | Confident | 69.9 | Low | 81 Ų | 81 | 82.4 Ų | 82.4 | 42% | 0.415 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.6 | 175.5 | -53.7 | 174.9 | 0 | 0 | 0 | 108.6 | T452 R462 A464 | I450-T452 HydrophobicContact CG2-CG2 4.18Å; I450-R462 HydrophobicContact CB-CB 4.5Å; I450-R462 PolarHBondContact N-O 2.98Å; I450-R462 PolarHBondContact O-N 3.41Å; I450-A464 HydrophobicContact CD1-CB 4.25Å; I450-A464 HydrophobicContact CG1-CB 4.14Å |
| 451 | L | 90.2 | Very high | 72.5 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 16% | 0.157 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.9 | 174.3 | -174.3 | 69.9 | 0 | 0 | 0 | 110 | L414 C429 L431 Y459 L461 V479 | L414-L451 HydrophobicContact CD1-CD1 3.48Å; L414-L451 VanDerWaalsContact CD1-CD1 3.48Å; C429-L451 HydrophobicContact CB-CD2 4.48Å; L431-L451 HydrophobicContact CD1-CB 3.8Å; L431-L451 HydrophobicContact CD2-CB 4.21Å; L431-L451 HydrophobicContact CD2-CD2 4.45Å; L431-L451 HydrophobicContact CG-CB 3.68Å; L431-L451 HydrophobicContact CG-CD2 4.29Å; L451-Y459 HydrophobicContact CD1-CG 4.41Å; L451-Y459 HydrophobicContact CD2-CD1 4.35Å; L451-Y459 HydrophobicContact CG-CD1 4.23Å; L451-L461 HydrophobicContact CB-CD1 4.49Å; L451-L461 HydrophobicContact CD1-CD1 4.27Å; L451-V479 HydrophobicContact CD2-CG1 4.29Å |
| 452 | T | 89.3 | Confident | 74.9 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 121.5 | -175.6 | 40.4 | 0 | 0 | 0 | 0 | 111.6 | I450 S454 Y459 S460 | I450-T452 HydrophobicContact CG2-CG2 4.18Å; T452-S454 PolarHBondContact O-N 3.1Å; T452-Y459 CarbonylContact O-C 3.57Å; T452-Y459 WeakPolarHBondContact O-CA 3.18Å; T452-S460 PolarHBondContact N-O 3.04Å; T452-S460 PolarHBondContact O-N 3.28Å; T452-S460 WeakPolarHBondContact OG1-CB 3.33Å; T452-S460 PolarHBondContact OG1-O 2.9Å; T452-S460 PolarHBondContact OG1-OG 2.94Å |
| 453 | P | 89.2 | Confident | 77.6 | Confident | 99 Ų | 99 | 72 Ų | 72 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.2 | 174.9 | 27.2 | -33 | 0 | 0 | 0 | 110.4 | Y459 | P453-Y459 HydrophobicContact CB-CD1 3.84Å; P453-Y459 HydrophobicContact CB-CE1 3.85Å |
| 454 | S | 84.6 | Confident | 80 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 53% | 0.531 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -46.7 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | T452 I458 | T452-S454 PolarHBondContact O-N 3.1Å; S454-I458 PolarHBondContact N-O 2.96Å |
| 455 | T | 85.2 | Confident | 82.5 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 169.6 | 171.3 | 58.1 | 0 | 0 | 0 | 0 | 108.4 | G457 I458 | T455-G457 PolarHBondContact O-N 3.2Å; T455-I458 PolarHBondContact N-O 3.22Å; T455-I458 PolarHBondContact O-N 2.76Å; T455-I458 WeakPolarHBondContact OG1-CB 3.42Å; T455-I458 WeakPolarHBondContact OG1-CD1 3.06Å; T455-I458 WeakPolarHBondContact OG1-CG1 3.4Å |
| 456 | P | 84.3 | Confident | 84.8 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 88% | 0.877 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 132.6 | 169 | -27.1 | 36.4 | 0 | 0 | 0 | 110.9 | I458 | P456-I458 PolarHBondContact O-N 3Š|
| 457 | G | 83.7 | Confident | 86.5 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 4.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | T415 V416 T455 | T415-G457 CarbonylContact C-O 3.47Å; T415-G457 WeakPolarHBondContact CA-O 3.44Å; V416-G457 PolarHBondContact N-O 3.14Å; V416-G457 WeakPolarHBondContact O-CA 3.46Å; T455-G457 PolarHBondContact O-N 3.2Å |
| 458 | I | 90.3 | Very high | 87.4 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 123.9 | -178.9 | -48.3 | -172.6 | 0 | 0 | 0 | 112 | V413 L414 T415 S454 T455 P456 | V413-I458 HydrophobicContact CG1-CG2 3.49Å; V413-I458 VanDerWaalsContact CG1-CG2 3.49Å; L414-I458 WeakPolarHBondContact O-CA 3.49Å; T415-I458 HydrophobicContact CG2-CD1 4.4Å; T415-I458 HydrophobicContact CG2-CG1 4.24Å; T415-I458 HydrophobicContact CG2-CG2 4.48Å; S454-I458 PolarHBondContact N-O 2.96Å; T455-I458 PolarHBondContact N-O 3.22Å; T455-I458 PolarHBondContact O-N 2.76Å; T455-I458 WeakPolarHBondContact OG1-CB 3.42Å; T455-I458 WeakPolarHBondContact OG1-CD1 3.06Å; T455-I458 WeakPolarHBondContact OG1-CG1 3.4Å; P456-I458 PolarHBondContact O-N 3Å |
| 459 | Y | 91 | Very high | 87.5 | Confident | 22 Ų | 22 | 51 Ų | 51 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.6 | 179.3 | -55.9 | -106.1 | 0 | 0 | 0 | 111.4 | V413 L414 V416 V427 S428 C429 L451 T452 P453 | V413-Y459 CarbonylContact C-O 3.56Å; V413-Y459 WeakPolarHBondContact CA-O 3.46Å; L414-Y459 PolarHBondContact N-O 3.29Å; L414-Y459 PolarHBondContact O-N 2.87Å; V416-Y459 HydrophobicContact CG2-CD2 4.12Å; V416-Y459 HydrophobicContact CG2-CE2 4.18Å; V427-Y459 PolarHBondContact O-OH 3.49Å; S428-Y459 WeakPolarHBondContact CA-OH 3.19Å; C429-Y459 HydrophobicContact CB-CD1 4.44Å; C429-Y459 HydrophobicContact CB-CD2 4.41Å; C429-Y459 HydrophobicContact CB-CE1 3.89Å; C429-Y459 HydrophobicContact CB-CE2 3.87Å; C429-Y459 PolarHBondContact N-OH 2.85Å; C429-Y459 VanDerWaalsContact N-OH 3.11Å; C429-Y459 VanDerWaalsContact SG-CE2 3.56Å; L451-Y459 HydrophobicContact CD1-CG 4.41Å; L451-Y459 HydrophobicContact CD2-CD1 4.35Å; L451-Y459 HydrophobicContact CG-CD1 4.23Å; T452-Y459 CarbonylContact O-C 3.57Å; T452-Y459 WeakPolarHBondContact O-CA 3.18Å; P453-Y459 HydrophobicContact CB-CD1 3.84Å; P453-Y459 HydrophobicContact CB-CE1 3.85Å |
| 460 | S | 90.6 | Very high | 87.1 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.1 | 174.3 | 153.6 | 0 | 0 | 0 | 0 | 109.5 | Q410 T452 | Q410-S460 PolarHBondContact NE2-OG 2.94Å; T452-S460 PolarHBondContact N-O 3.04Å; T452-S460 PolarHBondContact O-N 3.28Å; T452-S460 WeakPolarHBondContact OG1-CB 3.33Å; T452-S460 PolarHBondContact OG1-O 2.9Å; T452-S460 PolarHBondContact OG1-OG 2.94Å |
| 461 | L | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.8 | 173.6 | -173 | 70.9 | 0 | 0 | 0 | 110.3 | Q410 I411 A412 L414 L431 F449 L451 I496 | Q410-L461 WeakPolarHBondContact CG-O 3.47Å; I411-L461 HydrophobicContact CD1-CD2 3.81Å; I411-L461 HydrophobicContact CD1-CG 4.13Å; I411-L461 HydrophobicContact CG1-CB 4.46Å; I411-L461 HydrophobicContact CG1-CD2 4.17Å; I411-L461 HydrophobicContact CG1-CG 4.14Å; I411-L461 WeakPolarHBondContact CG1-O 3.38Å; I411-L461 PolarHBondContact N-O 2.97Å; A412-L461 HydrophobicContact CB-CB 4.13Å; A412-L461 HydrophobicContact CB-CD2 4.43Å; A412-L461 PolarHBondContact N-O 3.47Å; A412-L461 PolarHBondContact O-N 3.11Å; L414-L461 HydrophobicContact CD1-CB 4.06Å; L431-L461 HydrophobicContact CD1-CD1 4.4Å; L431-L461 HydrophobicContact CD2-CD1 4.08Å; F449-L461 HydrophobicContact CB-CD1 3.99Å; L451-L461 HydrophobicContact CB-CD1 4.49Å; L451-L461 HydrophobicContact CD1-CD1 4.27Å; L461-I496 HydrophobicContact CD2-CD1 3.8Å; L461-I496 HydrophobicContact CD2-CG2 4Å |
| 462 | R | 89.5 | Confident | 86 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.4 | -177.8 | -72.5 | 169.5 | 167.1 | -110.1 | -8.1 | 111.6 | S409 Q410 F449 I450 | S409-R462 CarbonylContact O-C 3.55Å; S409-R462 WeakPolarHBondContact O-CA 3.35Å; S409-R462 WeakPolarHBondContact O-CB 3.18Å; Q410-R462 HydrophobicContact CB-CG 4.1Å; Q410-R462 HydrophobicContact CG-CG 4.41Å; F449-R462 CarbonylContact C-O 3.5Å; F449-R462 WeakPolarHBondContact CA-O 3.4Å; F449-R462 WeakPolarHBondContact CB-O 3.47Å; I450-R462 HydrophobicContact CB-CB 4.5Å; I450-R462 PolarHBondContact N-O 2.98Å; I450-R462 PolarHBondContact O-N 3.41Å |
| 463 | T | 88.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 144 | 165 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | I402 S409 I411 F449 F467 | I402-T463 HydrophobicContact CD1-CG2 4.22Å; S409-T463 PolarHBondContact N-OG1 3.4Å; S409-T463 PolarHBondContact O-N 2.72Å; S409-T463 PolarHBondContact O-OG1 2.7Å; I411-T463 HydrophobicContact CD1-CG2 4.04Å; I411-T463 HydrophobicContact CG1-CG2 4.32Å; I411-T463 HydrophobicContact CG2-CG2 3.72Å; F449-T463 HydrophobicContact CD1-CG2 4.21Å; F449-T463 HydrophobicContact CE1-CG2 4.08Å; T463-F467 HydrophobicContact CG2-CE2 3.73Å |
| 464 | A | 86 | Confident | 85.5 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | trans | -104.2 | -19.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q447 N448 I450 | Q447-A464 WeakPolarHBondContact O-CB 3.25Å; N448-A464 PolarHBondContact O-N 3.44Å; I450-A464 HydrophobicContact CD1-CB 4.25Å; I450-A464 HydrophobicContact CG1-CB 4.14Å | ||
| 465 | K | 85.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -137.5 | 170.5 | 179.1 | 66.3 | 174.3 | -164.1 | -168.2 | 0 | 110.1 | N448 F467 | N448-K465 WeakPolarHBondContact OD1-CE 3.35Å; N448-K465 PolarHBondContact OD1-NZ 2.85Å; K465-F467 HydrophobicContact CD-CD1 4.48Å; K465-F467 HydrophobicContact CD-CE1 4.15Å; K465-F467 VanDerWaalsContact CE-CD1 3.42Å; K465-F467 HydrophobicContact CG-CD1 4.27Å; K465-F467 HydrophobicContact CG-CE1 3.84Å; K465-F467 HydrophobicContact CG-CZ 4.02Å |
| 466 | V | 87.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 40% | 0.4 | 30% | 0.297 | S | S | . | . | trans | -78.7 | 156 | 166.4 | -175.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 467 | F | 86.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | trans | -130.5 | 150.4 | 175.9 | -52.8 | -81.8 | 0 | 0 | 0 | 110.2 | N405 N448 T463 K465 I475 I500 | N405-F467 PolarHBondContact N-O 2.81Å; N448-F467 HydrophobicContact CB-CE1 4.5Å; N448-F467 HydrophobicContact CB-CZ 4.44Å; T463-F467 HydrophobicContact CG2-CE2 3.73Å; K465-F467 HydrophobicContact CD-CD1 4.48Å; K465-F467 HydrophobicContact CD-CE1 4.15Å; K465-F467 VanDerWaalsContact CE-CD1 3.42Å; K465-F467 HydrophobicContact CG-CD1 4.27Å; K465-F467 HydrophobicContact CG-CE1 3.84Å; K465-F467 HydrophobicContact CG-CZ 4.02Å; F467-I475 HydrophobicContact CB-CD1 4.43Å; F467-I475 HydrophobicContact CD1-CD1 3.08Å; F467-I475 HydrophobicContact CE1-CD1 3.21Å; F467-I475 HydrophobicContact CE1-CG2 4.5Å; F467-I475 HydrophobicContact CG-CD1 3.85Å; F467-I475 HydrophobicContact CZ-CD1 4.12Å; F467-I500 HydrophobicContact CB-CD1 3.53Å; F467-I500 HydrophobicContact CB-CG1 4.18Å; F467-I500 HydrophobicContact CD1-CD1 4.48Å; F467-I500 HydrophobicContact CG-CD1 4.01Å | ||
| 468 | D | 84.3 | Confident | 85.6 | Confident | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | trans | -117.2 | 150.2 | 169.1 | 88 | 39.7 | 0 | 0 | 0 | 109.4 | S471 E472 | D468-S471 PolarHBondContact O-OG 3.04Å; D468-S471 WeakPolarHBondContact OD1-CB 3.15Å; D468-S471 PolarHBondContact OD1-N 3.38Å; D468-S471 PolarHBondContact OD1-OG 2.76Å; D468-E472 PolarHBondContact O-N 2.8Å | ||
| 469 | Y | 84.2 | Confident | 85.5 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.1 | -41.2 | -167.2 | 172.9 | -99.4 | 0 | 0 | 0 | 112.7 | E404 S471 E472 S473 I500 D502 R539 | E404-Y469 VanDerWaalsContact CD-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE1-CB 3.48Å; E404-Y469 WeakPolarHBondContact OE2-CB 3.44Å; E404-Y469 PolarHBondContact OE2-N 3.15Å; Y469-S471 PolarHBondContact O-N 3.12Å; Y469-E472 PolarHBondContact O-N 2.95Å; Y469-S473 VanDerWaalsContact CD2-CB 3.47Å; Y469-S473 PolarHBondContact O-N 2.85Å; Y469-I500 HydrophobicContact CD2-CB 4.3Å; Y469-I500 HydrophobicContact CD2-CG2 4.14Å; Y469-I500 VanDerWaalsContact CD2-O 3.23Å; Y469-I500 WeakPolarHBondContact CD2-O 3.41Å; Y469-I500 WeakPolarHBondContact CE2-O 3.33Å; Y469-I500 HydrophobicContact CG-CG2 4.47Å; Y469-D502 HydrophobicContact CD1-CB 3.73Å; Y469-D502 HydrophobicContact CD2-CB 4.21Å; Y469-D502 HydrophobicContact CE1-CB 3.57Å; Y469-D502 WeakPolarHBondContact CE1-OD2 3.4Å; Y469-D502 HydrophobicContact CE2-CB 4.04Å; Y469-D502 HydrophobicContact CG-CB 4.04Å; Y469-D502 PolarHBondContact OH-OD2 3.07Å; Y469-R539 HydrophobicContact CE1-CB 3.56Å; Y469-R539 HydrophobicContact CE1-CG 4.47Å; Y469-R539 PolarHBondContact OH-NH1 2.88Å |
| 470 | E | 80.1 | Confident | 85.6 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -55.1 | -32.9 | 175 | -85.9 | 43.7 | -114.2 | 0 | 0 | 112.6 | ||
| 471 | S | 78.5 | Confident | 85.6 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -85.4 | -45.5 | 177.5 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | D468 Y469 | D468-S471 PolarHBondContact O-OG 3.04Å; D468-S471 WeakPolarHBondContact OD1-CB 3.15Å; D468-S471 PolarHBondContact OD1-N 3.38Å; D468-S471 PolarHBondContact OD1-OG 2.76Å; Y469-S471 PolarHBondContact O-N 3.12Å |
| 472 | E | 78.4 | Confident | 85.6 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -151 | 65.3 | -175.3 | -161.1 | 179.9 | -161.9 | 0 | 0 | 113.7 | D468 Y469 T474 I475 I500 | D468-E472 PolarHBondContact O-N 2.8Å; Y469-E472 PolarHBondContact O-N 2.95Å; E472-T474 PolarHBondContact O-N 3.4Å; E472-I475 HydrophobicContact CB-CD1 4.44Å; E472-I475 HydrophobicContact CB-CG1 4.43Å; E472-I475 HydrophobicContact CG-CD1 4.31Å; E472-I475 HydrophobicContact CG-CG1 3.87Å; E472-I475 WeakPolarHBondContact OE2-CD1 3.43Å; E472-I500 VanDerWaalsContact O-CD1 3.24Å; E472-I500 WeakPolarHBondContact O-CD1 3.41Å |
| 473 | S | 82.5 | Confident | 85.6 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -46.5 | -7.1 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 119.3 | Y469 I500 | Y469-S473 VanDerWaalsContact CD2-CB 3.47Å; Y469-S473 PolarHBondContact O-N 2.85Å; S473-I500 PolarHBondContact O-N 3.04Å |
| 474 | T | 84.1 | Confident | 85.4 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 121.9 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | E472 T497 | E472-T474 PolarHBondContact O-N 3.4Å; T474-T497 HydrophobicContact CG2-CG2 3.42Å; T474-T497 VanDerWaalsContact CG2-CG2 3.42Å |
| 475 | I | 84 | Confident | 85 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.5 | -174.7 | -56.9 | -175.7 | 0 | 0 | 0 | 110.3 | F449 F467 E472 V498 I500 | F449-I475 HydrophobicContact CE2-CG2 3.81Å; F449-I475 HydrophobicContact CZ-CB 4.43Å; F449-I475 HydrophobicContact CZ-CG2 3.8Å; F467-I475 HydrophobicContact CB-CD1 4.43Å; F467-I475 HydrophobicContact CD1-CD1 3.08Å; F467-I475 HydrophobicContact CE1-CD1 3.21Å; F467-I475 HydrophobicContact CE1-CG2 4.5Å; F467-I475 HydrophobicContact CG-CD1 3.85Å; F467-I475 HydrophobicContact CZ-CD1 4.12Å; E472-I475 HydrophobicContact CB-CD1 4.44Å; E472-I475 HydrophobicContact CB-CG1 4.43Å; E472-I475 HydrophobicContact CG-CD1 4.31Å; E472-I475 HydrophobicContact CG-CG1 3.87Å; E472-I475 WeakPolarHBondContact OE2-CD1 3.43Å; I475-V498 PolarHBondContact N-O 2.86Å; I475-V498 PolarHBondContact O-N 2.81Å; I475-I500 HydrophobicContact CD1-CD1 3.62Å; I475-I500 HydrophobicContact CG1-CD1 3.92Å |
| 476 | R | 84.5 | Confident | 84.4 | Confident | 171 Ų | 171 | 52.5 Ų | 52.5 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.5 | -173.7 | -58.6 | 179.7 | -173 | 171.2 | 3.2 | 112.2 | V495 I496 T497 | R476-V495 HydrophobicContact CB-CG1 4.4Å; R476-I496 WeakPolarHBondContact CA-O 3.35Å; R476-T497 HydrophobicContact CG-CG2 4.29Å |
| 477 | T | 84.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 165.4 | 163.8 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | L431 D433 F449 I496 | L431-T477 HydrophobicContact CD2-CG2 4.12Å; D433-T477 PolarHBondContact OD1-OG1 3.22Å; F449-T477 HydrophobicContact CB-CG2 4.44Å; F449-T477 HydrophobicContact CD2-CG2 3.47Å; F449-T477 VanDerWaalsContact CD2-CG2 3.47Å; F449-T477 HydrophobicContact CE2-CG2 3.8Å; F449-T477 HydrophobicContact CG-CG2 4.01Å; T477-I496 HydrophobicContact CG2-CB 4.33Å; T477-I496 PolarHBondContact N-O 2.56Å; T477-I496 PolarHBondContact O-N 2.75Å |
| 478 | T | 87 | Confident | 83.1 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.4 | -179.4 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | N432 V480 A493 V495 | N432-T478 PolarHBondContact N-O 2.89Å; T478-V480 HydrophobicContact CG2-CG2 4.03Å; T478-A493 HydrophobicContact CG2-CB 4.01Å; T478-V495 HydrophobicContact CG2-CG2 4.49Å |
| 479 | V | 89.2 | Confident | 83 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.2 | 167.6 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | I359 L414 C429 S430 L431 L451 A493 R494 I496 | I359-V479 HydrophobicContact CD1-CG1 4.34Å; L414-V479 HydrophobicContact CD1-CG2 3.83Å; C429-V479 HydrophobicContact CB-CG1 4.37Å; S430-V479 WeakPolarHBondContact O-CA 3.05Å; L431-V479 HydrophobicContact CD2-CG2 3.67Å; L451-V479 HydrophobicContact CD2-CG1 4.29Å; V479-A493 CarbonylContact O-C 3.47Å; V479-A493 WeakPolarHBondContact O-CA 3.29Å; V479-R494 PolarHBondContact N-O 3.16Å; V479-R494 PolarHBondContact O-N 2.76Å; V479-I496 HydrophobicContact CB-CD1 4.34Å; V479-I496 HydrophobicContact CG2-CD1 3.47Å; V479-I496 VanDerWaalsContact CG2-CD1 3.47Å; V479-I496 HydrophobicContact CG2-CG1 4.33Å |
| 480 | V | 91.2 | Very high | 83.2 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.3 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | C429 S430 N432 T478 S492 A493 | C429-V480 CarbonylContact C-O 3.6Å; C429-V480 VanDerWaalsContact CA-O 3.26Å; C429-V480 WeakPolarHBondContact CA-O 3.5Å; S430-V480 PolarHBondContact N-O 3.02Å; S430-V480 PolarHBondContact O-N 2.85Å; N432-V480 HydrophobicContact CB-CG2 3.69Å; T478-V480 HydrophobicContact CG2-CG2 4.03Å; V480-S492 CarbonylContact C-O 3.33Å; V480-S492 WeakPolarHBondContact CA-O 3.07Å; V480-A493 HydrophobicContact CG2-CB 4.1Å |
| 481 | C | 91.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.8 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | P357 I359 V416 S428 C429 T491 S492 | P357-C481 HydrophobicContact CB-CB 4.11Å; I359-C481 HydrophobicContact CD1-CB 3.92Å; I359-C481 VanDerWaalsContact CD1-SG 3.58Å; I359-C481 HydrophobicContact CG1-CB 4.15Å; V416-C481 HydrophobicContact CG1-CB 4.23Å; S428-C481 CarbonylContact O-C 3.5Å; S428-C481 WeakPolarHBondContact O-CA 3.31Å; C429-C481 HydrophobicContact CB-CB 4.11Å; C429-C481 WeakPolarHBondContact CB-SG 3.48Å; C429-C481 WeakPolarHBondContact SG-CB 3.48Å; C429-C481 CovalentContact SG-SG 2.04Å; C429-C481 PolarHBondContact SG-SG 2.96Å; C481-T491 CarbonylContact O-C 3.49Å; C481-T491 VanDerWaalsContact O-CA 3.27Å; C481-T491 WeakPolarHBondContact O-CA 3.43Å; C481-S492 PolarHBondContact N-O 3.02Å; C481-S492 PolarHBondContact O-N 2.92Å |
| 482 | H | 90 | Very high | 84.1 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148 | 173 | 52 | -85.4 | 0 | 0 | 0 | 109.8 | V427 S428 L490 T491 | V427-H482 WeakPolarHBondContact CA-O 3.42Å; S428-H482 VanDerWaalsContact CB-NE2 3.31Å; S428-H482 WeakPolarHBondContact CB-NE2 3.08Å; S428-H482 PolarHBondContact N-O 3.37Å; S428-H482 PolarHBondContact O-CE1 2.94Å; S428-H482 PolarHBondContact O-N 2.83Å; S428-H482 PolarHBondContact O-ND1 2.81Å; S428-H482 VanDerWaalsContact O-ND1 3.15Å; S428-H482 PolarHBondContact OG-CE1 3.05Å; S428-H482 PolarHBondContact OG-NE2 3.48Å; H482-L490 WeakPolarHBondContact CA-O 3.47Å; H482-T491 HydrophobicContact CB-CG2 3.91Å |
| 483 | D | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -77.9 | -172.7 | 172.4 | 66.3 | 26.7 | 0 | 0 | 0 | 111.8 | N353 P357 N424 K426 G485 Q489 L490 | N353-D483 PolarHBondContact ND2-OD2 2.93Å; P357-D483 HydrophobicContact CG-CB 4.09Å; N424-D483 WeakPolarHBondContact O-CB 3.43Å; K426-D483 CarbonylContact O-C 3.37Å; K426-D483 WeakPolarHBondContact O-CA 3.42Å; D483-G485 WeakPolarHBondContact OD1-CA 3.22Å; D483-G485 PolarHBondContact OD1-N 2.81Å; D483-Q489 PolarHBondContact O-NE2 2.85Å; D483-Q489 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q489 WeakPolarHBondContact OD1-CB 3.05Å; D483-Q489 WeakPolarHBondContact OD1-CG 3.36Å; D483-L490 VanDerWaalsContact CG-N 3.27Å; D483-L490 PolarHBondContact N-O 2.66Å; D483-L490 VanDerWaalsContact N-O 3.15Å; D483-L490 PolarHBondContact OD1-N 3.45Å; D483-L490 WeakPolarHBondContact OD2-CA 3.13Å; D483-L490 WeakPolarHBondContact OD2-CB 3.14Å; D483-L490 PolarHBondContact OD2-N 3.03Å | ||
| 484 | Y | 85.1 | Confident | 84.7 | Confident | 117 Ų | 117 | 61.8 Ų | 61.8 | 46% | 0.459 | 32% | 0.318 | S | S | . | . | trans | -110 | 27.5 | 166.4 | -75.3 | -90.5 | 0 | 0 | 0 | 112.8 | K426 | K426-Y484 HydrophobicContact CB-CD2 3.59Å; K426-Y484 HydrophobicContact CB-CE2 4.37Å; K426-Y484 HydrophobicContact CB-CG 4.32Å; K426-Y484 WeakPolarHBondContact O-CD2 3.33Å; K426-Y484 PolarHBondContact O-N 3.35Å; K426-Y484 VanDerWaalsContact O-N 3.14Å | ||
| 485 | G | 77.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | trans | -62.5 | 153.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | N353 D483 Q488 Q489 | N353-G485 WeakPolarHBondContact OD1-CA 3.32Å; D483-G485 WeakPolarHBondContact OD1-CA 3.22Å; D483-G485 PolarHBondContact OD1-N 2.81Å; G485-Q488 CarbonylContact C-O 3.56Å; G485-Q489 WeakPolarHBondContact O-CG 3.27Å | ||
| 486 | K | 72.3 | Confident | 84.9 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 59% | 0.591 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -138.2 | 135.4 | 177 | -62.2 | 172.7 | -164.8 | 118.4 | 0 | 109.2 | D423 | D423-K486 IonicContact OD2-NZ 3.35Å; D423-K486 PolarHBondContact OD2-NZ 2.98Å |
| 487 | P | 69.7 | Low | 84.9 | Confident | 145 Ų | 145 | 57.2 Ų | 57.2 | 94% | 0.942 | 31% | 0.309 | S | S | * | . | S | Bend | cis | -83.3 | -11.7 | 8.3 | 33.9 | -37.3 | 0 | 0 | 0 | 114.9 | ||
| 488 | Q | 76.3 | Confident | 84.9 | Confident | 141 Ų | 141 | 57 Ų | 57 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -124.7 | 138 | 179.5 | 173.6 | 172.1 | -16.4 | 0 | 0 | 108.7 | G485 | G485-Q488 CarbonylContact C-O 3.56Š|
| 489 | Q | 83.1 | Confident | 84.8 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | trans | -82.7 | 131.6 | 168.8 | -65.5 | 178 | -78.7 | 0 | 0 | 109.6 | D483 G485 | D483-Q489 PolarHBondContact O-NE2 2.85Å; D483-Q489 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q489 WeakPolarHBondContact OD1-CB 3.05Å; D483-Q489 WeakPolarHBondContact OD1-CG 3.36Å; G485-Q489 WeakPolarHBondContact O-CG 3.27Å | ||
| 490 | L | 87.6 | Confident | 84.6 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | trans | -85.8 | 147.1 | 168.4 | -55 | 176.2 | 0 | 0 | 0 | 109.6 | N353 P356 H482 D483 | N353-L490 WeakPolarHBondContact ND2-CD1 3.21Å; N353-L490 WeakPolarHBondContact ND2-CG 3.43Å; P356-L490 HydrophobicContact CB-CB 3.99Å; P356-L490 HydrophobicContact CB-CD1 4.31Å; H482-L490 WeakPolarHBondContact CA-O 3.47Å; D483-L490 VanDerWaalsContact CG-N 3.27Å; D483-L490 PolarHBondContact N-O 2.66Å; D483-L490 VanDerWaalsContact N-O 3.15Å; D483-L490 PolarHBondContact OD1-N 3.45Å; D483-L490 WeakPolarHBondContact OD2-CA 3.13Å; D483-L490 WeakPolarHBondContact OD2-CB 3.14Å; D483-L490 PolarHBondContact OD2-N 3.03Å | ||
| 491 | T | 89 | Confident | 84.1 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 60% | 0.595 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.4 | -176.7 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | C481 H482 | C481-T491 CarbonylContact O-C 3.49Å; C481-T491 VanDerWaalsContact O-CA 3.27Å; C481-T491 WeakPolarHBondContact O-CA 3.43Å; H482-T491 HydrophobicContact CB-CG2 3.91Å |
| 492 | S | 89 | Confident | 83.7 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | 174.2 | 65 | 0 | 0 | 0 | 0 | 110.7 | P357 I359 V480 C481 | P357-S492 WeakPolarHBondContact O-CB 3.45Å; P357-S492 PolarHBondContact O-OG 2.8Å; I359-S492 WeakPolarHBondContact CD1-OG 3.4Å; V480-S492 CarbonylContact C-O 3.33Å; V480-S492 WeakPolarHBondContact CA-O 3.07Å; C481-S492 PolarHBondContact N-O 3.02Å; C481-S492 PolarHBondContact O-N 2.92Å |
| 493 | A | 88.9 | Confident | 83.2 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T478 V479 V480 | T478-A493 HydrophobicContact CG2-CB 4.01Å; V479-A493 CarbonylContact O-C 3.47Å; V479-A493 WeakPolarHBondContact O-CA 3.29Å; V480-A493 HydrophobicContact CG2-CB 4.1Å |
| 494 | R | 85.7 | Confident | 82.7 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.2 | 172 | -176.9 | 166.4 | 176.5 | 166.3 | -2.4 | 109 | I359 G397 V479 I496 | I359-R494 HydrophobicContact CB-CB 4.02Å; I359-R494 HydrophobicContact CD1-CB 4.07Å; I359-R494 HydrophobicContact CG2-CB 3.98Å; I359-R494 WeakPolarHBondContact O-CD 3.33Å; I359-R494 PolarHBondContact O-NH1 3.28Å; G397-R494 PolarHBondContact O-NH2 3.25Å; V479-R494 PolarHBondContact N-O 3.16Å; V479-R494 PolarHBondContact O-N 2.76Å; R494-I496 PolarHBondContact O-N 3.48Å |
| 495 | V | 87 | Confident | 82.4 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125.8 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | R476 T478 | R476-V495 HydrophobicContact CB-CG1 4.4Å; T478-V495 HydrophobicContact CG2-CG2 4.49Å |
| 496 | I | 85.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109.9 | 174.3 | -59.5 | -176.5 | 0 | 0 | 0 | 106.3 | L400 L414 L461 R476 T477 V479 R494 V498 | L400-I496 HydrophobicContact CD1-CG2 3.48Å; L400-I496 VanDerWaalsContact CD1-CG2 3.48Å; L414-I496 HydrophobicContact CD1-CD1 3.99Å; L414-I496 HydrophobicContact CD2-CD1 3.72Å; L414-I496 HydrophobicContact CG-CD1 4.38Å; L461-I496 HydrophobicContact CD2-CD1 3.8Å; L461-I496 HydrophobicContact CD2-CG2 4Å; R476-I496 WeakPolarHBondContact CA-O 3.35Å; T477-I496 HydrophobicContact CG2-CB 4.33Å; T477-I496 PolarHBondContact N-O 2.56Å; T477-I496 PolarHBondContact O-N 2.75Å; V479-I496 HydrophobicContact CB-CD1 4.34Å; V479-I496 HydrophobicContact CG2-CD1 3.47Å; V479-I496 VanDerWaalsContact CG2-CD1 3.47Å; V479-I496 HydrophobicContact CG2-CG1 4.33Å; R494-I496 PolarHBondContact O-N 3.48Å; I496-V498 HydrophobicContact CG2-CG2 4.4Å |
| 497 | T | 84 | Confident | 83.1 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.4 | 170.2 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | T474 R476 | T474-T497 HydrophobicContact CG2-CG2 3.42Å; T474-T497 VanDerWaalsContact CG2-CG2 3.42Å; R476-T497 HydrophobicContact CG-CG2 4.29Å |
| 498 | V | 84.1 | Confident | 84 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.6 | 170 | -176.7 | 0 | 0 | 0 | 0 | 107 | L400 I402 I411 F449 I475 I496 | L400-V498 HydrophobicContact CB-CG2 4.3Å; L400-V498 CarbonylContact O-C 3.55Å; L400-V498 VanDerWaalsContact O-CA 3.27Å; L400-V498 WeakPolarHBondContact O-CA 3.16Å; I402-V498 HydrophobicContact CG2-CG1 3.83Å; I411-V498 HydrophobicContact CD1-CG2 3.71Å; F449-V498 HydrophobicContact CE1-CG2 3.95Å; F449-V498 HydrophobicContact CZ-CB 4.48Å; F449-V498 HydrophobicContact CZ-CG2 3.98Å; I475-V498 PolarHBondContact N-O 2.86Å; I475-V498 PolarHBondContact O-N 2.81Å; I496-V498 HydrophobicContact CG2-CG2 4.4Å |
| 499 | Q | 84.9 | Confident | 84.6 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 142.9 | 166 | -66.3 | -167.5 | 6.4 | 0 | 0 | 108.9 | E399 L400 S401 I402 | E399-Q499 HydrophobicContact CG-CG 4.15Å; E399-Q499 PolarHBondContact OE1-NE2 3.23Å; E399-Q499 PolarHBondContact OE2-NE2 3.39Å; E399-Q499 VanDerWaalsContact OE2-NE2 3.16Å; L400-Q499 PolarHBondContact O-N 2.8Å; S401-Q499 WeakPolarHBondContact CA-O 3.24Å; I402-Q499 PolarHBondContact N-O 2.82Å |
| 500 | I | 85 | Confident | 85 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.1 | 166.6 | -69.5 | 149.3 | 0 | 0 | 0 | 107.2 | I402 E404 F467 Y469 E472 S473 I475 | I402-I500 HydrophobicContact CG2-CG1 4.06Å; I402-I500 CarbonylContact O-C 3.57Å; I402-I500 WeakPolarHBondContact O-CA 3.38Å; E404-I500 HydrophobicContact CB-CG2 3.55Å; F467-I500 HydrophobicContact CB-CD1 3.53Å; F467-I500 HydrophobicContact CB-CG1 4.18Å; F467-I500 HydrophobicContact CD1-CD1 4.48Å; F467-I500 HydrophobicContact CG-CD1 4.01Å; Y469-I500 HydrophobicContact CD2-CB 4.3Å; Y469-I500 HydrophobicContact CD2-CG2 4.14Å; Y469-I500 VanDerWaalsContact CD2-O 3.23Å; Y469-I500 WeakPolarHBondContact CD2-O 3.41Å; Y469-I500 WeakPolarHBondContact CE2-O 3.33Å; Y469-I500 HydrophobicContact CG-CG2 4.47Å; E472-I500 VanDerWaalsContact O-CD1 3.24Å; E472-I500 WeakPolarHBondContact O-CD1 3.41Å; S473-I500 PolarHBondContact O-N 3.04Å; I475-I500 HydrophobicContact CD1-CD1 3.62Å; I475-I500 HydrophobicContact CG1-CD1 3.92Å |
| 501 | I | 81.2 | Confident | 85 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.8 | 177.7 | -60.2 | 164.2 | 0 | 0 | 0 | 108.5 | L368 S401 I402 L403 E404 | L368-I501 HydrophobicContact CB-CD1 4.31Å; L368-I501 HydrophobicContact CD1-CD1 3.71Å; S401-I501 WeakPolarHBondContact OG-CD1 3.23Å; I402-I501 PolarHBondContact O-N 2.89Å; L403-I501 HydrophobicContact CD1-CB 4.07Å; L403-I501 HydrophobicContact CD1-CG2 3.89Å; E404-I501 PolarHBondContact N-O 3.13Å |
| 502 | D | 82.7 | Confident | 85 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | trans | -42.3 | 131.6 | 164.7 | -166.2 | -43.1 | 0 | 0 | 0 | 113 | E404 Y469 R539 A540 | E404-D502 WeakPolarHBondContact OE1-CA 3.34Å; Y469-D502 HydrophobicContact CD1-CB 3.73Å; Y469-D502 HydrophobicContact CD2-CB 4.21Å; Y469-D502 HydrophobicContact CE1-CB 3.57Å; Y469-D502 WeakPolarHBondContact CE1-OD2 3.4Å; Y469-D502 HydrophobicContact CE2-CB 4.04Å; Y469-D502 HydrophobicContact CG-CB 4.04Å; Y469-D502 PolarHBondContact OH-OD2 3.07Å; D502-R539 WeakPolarHBondContact OD2-CA 3.27Å; D502-R539 WeakPolarHBondContact OD2-CB 3.26Å; D502-R539 PolarHBondContact OD2-N 2.84Å; D502-R539 VanDerWaalsContact OD2-N 3.12Å; D502-A540 HydrophobicContact CB-CB 4.11Å; D502-A540 VanDerWaalsContact OD2-CB 3.26Å; D502-A540 WeakPolarHBondContact OD2-CB 3.45Å; D502-A540 PolarHBondContact OD2-N 3.33Å | ||
| 503 | V | 79.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | trans | -122.8 | 103.3 | 175.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | L403 E404 E505 | L403-V503 HydrophobicContact CD1-CG2 3.54Å; L403-V503 HydrophobicContact CD2-CG2 3.88Å; L403-V503 HydrophobicContact CG-CG2 3.49Å; L403-V503 VanDerWaalsContact CG-CG2 3.49Å; E404-V503 HydrophobicContact CG-CB 4.13Å; E404-V503 HydrophobicContact CG-CG2 3.93Å; E404-V503 PolarHBondContact OE1-N 2.79Å; V503-E505 PolarHBondContact O-N 2.85Å | ||
| 504 | N | 79.2 | Confident | 84.9 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | trans | -48.8 | 95 | -178.6 | -167.2 | 107.2 | 0 | 0 | 0 | 113.9 | D538 D610 | N504-D538 VanDerWaalsContact CA-OD1 3.31Å; N504-D538 WeakPolarHBondContact CA-OD1 2.91Å; N504-D610 PolarHBondContact ND2-OD2 2.9Å | ||
| 505 | E | 79.5 | Confident | 85.2 | Confident | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | trans | -121.7 | -8.9 | -175.4 | 68.3 | 167.7 | -140.8 | 0 | 0 | 114.7 | V503 D538 | V503-E505 PolarHBondContact O-N 2.85Å; E505-D538 PolarHBondContact N-OD1 2.89Å | ||
| 506 | F | 80.8 | Confident | 85.4 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | trans | -100 | -174.3 | 170.6 | -53.8 | -79.6 | 0 | 0 | 0 | 112.7 | R537 D538 F617 | F506-R537 HydrophobicContact CB-CB 3.87Å; F506-R537 HydrophobicContact CB-CG 4.42Å; F506-R537 HydrophobicContact CD1-CB 4.4Å; F506-R537 HydrophobicContact CD2-CB 3.54Å; F506-R537 HydrophobicContact CE2-CB 4.21Å; F506-R537 HydrophobicContact CG-CB 3.66Å; F506-R537 HydrophobicContact CG-CG 4.29Å; F506-D538 WeakPolarHBondContact CA-OD2 2.92Å; F506-D538 VanDerWaalsContact CB-OD2 3.27Å; F506-D538 WeakPolarHBondContact CB-OD2 3.43Å; F506-D538 WeakPolarHBondContact CD2-OD1 3.26Å; F506-D538 PolarHBondContact N-OD1 3.45Å; F506-D538 VanDerWaalsContact N-OD1 3.09Å; F506-D538 PolarHBondContact N-OD2 2.72Å; F506-D538 VanDerWaalsContact N-OD2 3.16Å; F506-F617 WeakPolarHBondContact O-CD2 3.41Å; F506-F617 WeakPolarHBondContact O-CE2 3.41Å | ||
| 507 | Q | 82.9 | Confident | 85.6 | Confident | 123 Ų | 123 | 69.9 Ų | 69.9 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | trans | -148.6 | 149.4 | -173.8 | 58.3 | 140.7 | 102.3 | 0 | 0 | 112.4 | D536 F617 | Q507-D536 VanDerWaalsContact C-OD1 3.25Å; Q507-D536 PolarHBondContact N-OD1 3.09Å; Q507-D536 VanDerWaalsContact N-OD1 3.09Å; Q507-F617 HydrophobicContact CB-CB 3.54Å; Q507-F617 HydrophobicContact CB-CD1 4.35Å; Q507-F617 HydrophobicContact CB-CD2 4.41Å; Q507-F617 HydrophobicContact CB-CG 3.88Å | ||
| 508 | P | 89.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | trans | -78.4 | 137.5 | -164.2 | 27.7 | -34.4 | 0 | 0 | 0 | 113.1 | L535 D536 L543 V608 A619 | P508-L535 WeakPolarHBondContact CA-O 2.98Å; P508-D536 VanDerWaalsContact CA-OD2 3.27Å; P508-D536 WeakPolarHBondContact CA-OD2 3.17Å; P508-D536 WeakPolarHBondContact CB-OD2 3.37Å; P508-D536 WeakPolarHBondContact CD-OD2 3.05Å; P508-L543 HydrophobicContact CB-CD2 3.64Å; P508-V608 HydrophobicContact CB-CG1 3.95Å; P508-V608 HydrophobicContact CG-CG1 4.01Å; P508-A619 HydrophobicContact CG-CB 4.44Å; P508-A619 WeakPolarHBondContact O-CB 3.34Å | ||
| 509 | E | 88.3 | Confident | 86.3 | Confident | 149 Ų | 149 | 69.4 Ų | 69.4 | 70% | 0.696 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.1 | -178.8 | -174.3 | 175.5 | -162.4 | 0 | 0 | 112.2 | A534 L535 | E509-A534 CarbonylContact O-C 3.47Å; E509-A534 WeakPolarHBondContact O-CA 3.24Å; E509-A534 WeakPolarHBondContact O-CB 3.32Å; E509-L535 PolarHBondContact N-O 3.08Å; E509-L535 PolarHBondContact O-N 2.76Å |
| 510 | F | 92.1 | Very high | 86.6 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 11% | 0.114 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 137.8 | 176.2 | -85 | -72.6 | 0 | 0 | 0 | 113.1 | R512 T533 A534 Y545 V606 V608 A619 T621 | F510-R512 PolarHBondContact O-N 3.36Å; F510-T533 WeakPolarHBondContact CA-O 3.31Å; F510-T533 WeakPolarHBondContact CD1-O 3.4Å; F510-A534 HydrophobicContact CD1-CB 3.97Å; F510-A534 HydrophobicContact CE1-CB 4.25Å; F510-A534 HydrophobicContact CG-CB 4.25Å; F510-Y545 HydrophobicContact CE1-CD1 4.1Å; F510-Y545 AromaticContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CZ-CD1 4.32Å; F510-Y545 HydrophobicContact CZ-CE1 4.37Å; F510-V606 HydrophobicContact CE1-CG1 4.39Å; F510-V606 HydrophobicContact CZ-CG1 3.97Å; F510-V608 HydrophobicContact CD2-CG1 4.19Å; F510-V608 HydrophobicContact CE1-CG1 4.46Å; F510-V608 HydrophobicContact CE2-CB 4.06Å; F510-V608 HydrophobicContact CE2-CG1 3.52Å; F510-V608 HydrophobicContact CZ-CB 3.72Å; F510-V608 HydrophobicContact CZ-CG1 3.67Å; F510-A619 HydrophobicContact CD2-CB 4.14Å; F510-A619 HydrophobicContact CE2-CB 4.34Å; F510-T621 HydrophobicContact CD1-CG2 3.69Å; F510-T621 HydrophobicContact CD2-CG2 3.97Å; F510-T621 HydrophobicContact CE1-CG2 3.58Å; F510-T621 HydrophobicContact CE2-CG2 3.86Å; F510-T621 HydrophobicContact CG-CG2 3.89Å; F510-T621 HydrophobicContact CZ-CG2 3.67Å |
| 511 | S | 86.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -68.1 | -15.2 | 178.9 | 70.7 | 0 | 0 | 0 | 0 | 115 | Y515 T533 | S511-Y515 PolarHBondContact OG-OH 2.89Å; S511-Y515 VanDerWaalsContact OG-OH 3.08Å; S511-T533 PolarHBondContact N-O 3.16Å; S511-T533 PolarHBondContact OG-O 3.21Å; S511-T533 PolarHBondContact OG-OG1 3.12Å |
| 512 | R | 88.1 | Confident | 87.2 | Confident | 160 Ų | 160 | 68.8 Ų | 68.8 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | trans | -147.3 | 149.7 | 173.3 | -58.9 | -174.8 | 178.9 | -173 | 1.6 | 111.6 | F510 Y515 T621 | F510-R512 PolarHBondContact O-N 3.36Å; R512-Y515 HydrophobicContact CB-CD2 4.3Å; R512-Y515 HydrophobicContact CB-CE1 4.24Å; R512-Y515 HydrophobicContact CB-CE2 3.78Å; R512-Y515 HydrophobicContact CG-CE1 4.27Å; R512-T621 PolarHBondContact O-OG1 2.78Å | ||
| 513 | R | 86.7 | Confident | 87.4 | Confident | 230 Ų | 230 | 68.3 Ų | 68.3 | 87% | 0.868 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -80.3 | -24 | 173.9 | -64.3 | -174.7 | 177.8 | -161.4 | -2.9 | 114.4 | T621 T622 | R513-T621 VanDerWaalsContact C-OG1 3.26Å; R513-T621 PolarHBondContact O-OG1 3.28Å; R513-T622 PolarHBondContact O-N 3.45Å |
| 514 | V | 90.5 | Very high | 87.9 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 139.5 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 109 | V516 T622 | V514-V516 HydrophobicContact CG1-CG2 4.44Å; V514-T622 CarbonylContact C-O 3.6Å; V514-T622 WeakPolarHBondContact CA-O 3.26Å |
| 515 | Y | 91.2 | Very high | 88.3 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 150.3 | 170.1 | -62.5 | -105.2 | 0 | 0 | 0 | 110.1 | S511 R512 L530 T531 T532 T533 T621 T622 V623 S624 | S511-Y515 PolarHBondContact OG-OH 2.89Å; S511-Y515 VanDerWaalsContact OG-OH 3.08Å; R512-Y515 HydrophobicContact CB-CD2 4.3Å; R512-Y515 HydrophobicContact CB-CE1 4.24Å; R512-Y515 HydrophobicContact CB-CE2 3.78Å; R512-Y515 HydrophobicContact CG-CE1 4.27Å; Y515-L530 HydrophobicContact CD1-CD1 4.06Å; Y515-L530 HydrophobicContact CG-CD1 4.17Å; Y515-T531 WeakPolarHBondContact CE1-O 3.49Å; Y515-T532 HydrophobicContact CD1-CG2 4.46Å; Y515-T532 HydrophobicContact CD2-CG2 3.94Å; Y515-T532 HydrophobicContact CE1-CG2 4.43Å; Y515-T532 HydrophobicContact CE2-CG2 3.91Å; Y515-T532 HydrophobicContact CG-CG2 4.23Å; Y515-T533 PolarHBondContact OH-N 2.91Å; Y515-T621 HydrophobicContact CD2-CG2 4.26Å; Y515-T621 HydrophobicContact CE2-CG2 3.91Å; Y515-T622 PolarHBondContact N-O 3.43Å; Y515-V623 HydrophobicContact CD2-CG2 4.42Å; Y515-V623 WeakPolarHBondContact O-CA 3.42Å; Y515-S624 PolarHBondContact O-N 2.93Å |
| 516 | V | 91.2 | Very high | 88.7 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.5 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | V514 S624 | V514-V516 HydrophobicContact CG1-CG2 4.44Å; V516-S624 WeakPolarHBondContact CA-O 3.33Å |
| 517 | S | 90.5 | Very high | 89.2 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 173.4 | 172.3 | -162.8 | 0 | 0 | 0 | 0 | 111.2 | I529 S624 I625 E626 | S517-I529 PolarHBondContact OG-O 3.06Å; S517-S624 PolarHBondContact N-O 3.24Å; S517-S624 VanDerWaalsContact N-O 3.07Å; S517-I625 WeakPolarHBondContact O-CA 3.36Å; S517-E626 PolarHBondContact O-N 3.46Å; S517-E626 VanDerWaalsContact O-N 3.08Å |
| 518 | G | 90.3 | Very high | 89.6 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E626 | G518-E626 CarbonylContact C-O 3.57Å; G518-E626 VanDerWaalsContact CA-O 3.27Å; G518-E626 WeakPolarHBondContact CA-O 3.49Å |
| 519 | V | 91.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.6 | -168.3 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | A523 I529 T589 L594 I625 E626 I627 L628 | V519-A523 HydrophobicContact CG1-CB 3.61Å; V519-I529 HydrophobicContact CG2-CB 4.23Å; V519-I529 HydrophobicContact CG2-CD1 3.96Å; V519-I529 HydrophobicContact CG2-CG1 3.74Å; V519-I529 HydrophobicContact CG2-CG2 3.54Å; V519-T589 HydrophobicContact CG1-CG2 4.11Å; V519-L594 HydrophobicContact CB-CD1 4.21Å; V519-L594 HydrophobicContact CG1-CD1 3.74Å; V519-I625 HydrophobicContact CB-CG2 4.46Å; V519-I625 HydrophobicContact CG2-CG2 3.77Å; V519-E626 PolarHBondContact N-O 3.2Å; V519-I627 CarbonylContact O-C 3.6Å; V519-I627 WeakPolarHBondContact O-CA 3.48Å; V519-L628 PolarHBondContact O-N 3.32Å |
| 520 | P | 91.4 | Very high | 89.9 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 24% | 0.24 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 146.9 | 170.1 | -20.3 | 32.9 | 0 | 0 | 0 | 111.8 | A523 E630 | P520-A523 WeakPolarHBondContact O-CB 3.25Å; P520-A523 PolarHBondContact O-N 3.41Å; P520-A523 VanDerWaalsContact O-N 3.16Å; P520-E630 HydrophobicContact CB-CG 4.39Å |
| 521 | E | 90.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -44.3 | -178.4 | 63 | -159.7 | 122.3 | 0 | 0 | 113.8 | A523 L594 R596 I627 L628 D629 E630 | E521-A523 PolarHBondContact O-N 3.42Å; E521-L594 HydrophobicContact CB-CB 4.46Å; E521-L594 CarbonylContact O-C 3.52Å; E521-L594 WeakPolarHBondContact O-CB 3.31Å; E521-L594 VanDerWaalsContact O-O 3.13Å; E521-R596 HydrophobicContact CB-CB 4.31Å; E521-R596 WeakPolarHBondContact OE2-CA 3.22Å; E521-R596 WeakPolarHBondContact OE2-CB 3.5Å; E521-R596 PolarHBondContact OE2-N 3.08Å; E521-I627 HydrophobicContact CB-CG2 4.01Å; E521-L628 PolarHBondContact N-O 3.26Å; E521-L628 VanDerWaalsContact N-O 3.17Å; E521-D629 VanDerWaalsContact OE1-CA 3.28Å; E521-D629 WeakPolarHBondContact OE1-CA 3.47Å; E521-E630 PolarHBondContact OE1-N 2.9Å |
| 522 | N | 87.5 | Confident | 90.1 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 21.9 | 174.8 | -75.1 | -74.7 | 0 | 0 | 0 | 113.5 | D632 | N522-D632 PolarHBondContact ND2-OD2 3.36Š|
| 523 | A | 87.7 | Confident | 90.2 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 125 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V519 P520 E521 M527 T589 | V519-A523 HydrophobicContact CG1-CB 3.61Å; P520-A523 WeakPolarHBondContact O-CB 3.25Å; P520-A523 PolarHBondContact O-N 3.41Å; P520-A523 VanDerWaalsContact O-N 3.16Å; E521-A523 PolarHBondContact O-N 3.42Å; A523-M527 HydrophobicContact CB-SD 3.71Å; A523-T589 HydrophobicContact CB-CG2 3.92Å |
| 524 | P | 89.9 | Confident | 90.3 | Very high | 84 Ų | 84 | 45.8 Ų | 45.8 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.6 | -173 | 26.7 | -35 | 0 | 0 | 0 | 111.6 | G526 M527 T589 | P524-G526 PolarHBondContact O-N 2.91Å; P524-M527 WeakPolarHBondContact O-CB 3.37Å; P524-M527 PolarHBondContact O-N 3.26Å; P524-M527 VanDerWaalsContact O-N 3.15Å; P524-T589 PolarHBondContact O-OG1 3.28Å |
| 525 | P | 88 | Confident | 90.1 | Very high | 67 Ų | 67 | 48 Ų | 48 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 128.7 | 175.6 | -32.5 | 38.2 | 0 | 0 | 0 | 113.6 | S590 | P525-S590 VanDerWaalsContact CA-O 3.29Å; P525-S590 WeakPolarHBondContact CA-O 3.17Å; P525-S590 WeakPolarHBondContact CB-O 3.36Å; P525-S590 WeakPolarHBondContact CG-O 3.44Å |
| 526 | G | 87.7 | Confident | 89.9 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 8.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P524 D528 R588 T589 | P524-G526 PolarHBondContact O-N 2.91Å; G526-D528 PolarHBondContact O-N 3.26Å; G526-R588 WeakPolarHBondContact O-CD 3.27Å; G526-T589 PolarHBondContact N-O 2.85Å; G526-T589 PolarHBondContact N-OG1 3.5Å |
| 527 | M | 91.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -65.3 | 125.3 | 171.4 | 177 | 171.1 | 171.9 | 0 | 0 | 110.6 | A523 P524 I529 R588 T589 | A523-M527 HydrophobicContact CB-SD 3.71Å; P524-M527 WeakPolarHBondContact O-CB 3.37Å; P524-M527 PolarHBondContact O-N 3.26Å; P524-M527 VanDerWaalsContact O-N 3.15Å; M527-I529 PolarHBondContact O-N 2.77Å; M527-R588 WeakPolarHBondContact O-CA 3.13Å; M527-T589 HydrophobicContact CB-CG2 4.29Å; M527-T589 PolarHBondContact N-OG1 3.31Å; M527-T589 PolarHBondContact O-N 3.05Å; M527-T589 VanDerWaalsContact O-N 3.11Å | ||
| 528 | D | 91.2 | Very high | 89 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 124.4 | 174.8 | -65.6 | -28.4 | 0 | 0 | 0 | 110.7 | G526 I586 R588 | G526-D528 PolarHBondContact O-N 3.26Å; D528-I586 HydrophobicContact CB-CG2 4.24Å; D528-I586 WeakPolarHBondContact OD1-CG2 3.33Å; D528-R588 WeakPolarHBondContact OD1-CG 3.47Å; D528-R588 IonicContact OD1-CZ 3.17Å; D528-R588 VanDerWaalsContact OD1-CZ 3.25Å; D528-R588 IonicContact OD1-NE 2.69Å; D528-R588 PolarHBondContact OD1-NE 2.85Å; D528-R588 IonicContact OD1-NH2 3.76Å; D528-R588 PolarHBondContact OD1-NH2 3.18Å |
| 529 | I | 91.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -46.8 | -176.9 | -61.4 | 166 | 0 | 0 | 0 | 111.4 | S517 V519 M527 F578 I587 T589 I625 | S517-I529 PolarHBondContact OG-O 3.06Å; V519-I529 HydrophobicContact CG2-CB 4.23Å; V519-I529 HydrophobicContact CG2-CD1 3.96Å; V519-I529 HydrophobicContact CG2-CG1 3.74Å; V519-I529 HydrophobicContact CG2-CG2 3.54Å; M527-I529 PolarHBondContact O-N 2.77Å; I529-F578 HydrophobicContact CD1-CD1 3.48Å; I529-F578 VanDerWaalsContact CD1-CD1 3.48Å; I529-F578 HydrophobicContact CD1-CE1 3.55Å; I529-I587 WeakPolarHBondContact CB-O 3.43Å; I529-I587 HydrophobicContact CD1-CG2 4.35Å; I529-I587 PolarHBondContact N-O 3.12Å; I529-T589 HydrophobicContact CD1-CG2 3.97Å; I529-T589 HydrophobicContact CG1-CG2 4.4Å; I529-I625 HydrophobicContact CG2-CD1 4.34Å |
| 530 | L | 92.5 | Very high | 86.9 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 165.7 | 173.5 | 63 | 96.2 | 0 | 0 | 0 | 110.8 | Y515 T532 I587 V623 | Y515-L530 HydrophobicContact CD1-CD1 4.06Å; Y515-L530 HydrophobicContact CG-CD1 4.17Å; L530-T532 HydrophobicContact CD1-CG2 3.8Å; L530-I587 HydrophobicContact CD1-CD1 4.05Å; L530-I587 PolarHBondContact O-N 2.94Å; L530-V623 HydrophobicContact CD1-CG1 4.19Å; L530-V623 HydrophobicContact CD2-CG1 3.65Å; L530-V623 HydrophobicContact CG-CG1 4.42Å |
| 531 | T | 92.5 | Very high | 85.9 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.1 | 173.3 | -41.8 | 0 | 0 | 0 | 0 | 110.2 | Y515 T533 T584 I586 | Y515-T531 WeakPolarHBondContact CE1-O 3.49Å; T531-T533 HydrophobicContact CG2-CG2 3.87Å; T531-T584 WeakPolarHBondContact CG2-O 3.2Å; T531-I586 HydrophobicContact CG2-CG1 3.74Å |
| 532 | T | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -86.5 | 135.3 | 163.1 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | Y515 L530 G585 I587 V606 T621 V623 | Y515-T532 HydrophobicContact CD1-CG2 4.46Å; Y515-T532 HydrophobicContact CD2-CG2 3.94Å; Y515-T532 HydrophobicContact CE1-CG2 4.43Å; Y515-T532 HydrophobicContact CE2-CG2 3.91Å; Y515-T532 HydrophobicContact CG-CG2 4.23Å; L530-T532 HydrophobicContact CD1-CG2 3.8Å; T532-G585 PolarHBondContact N-O 2.72Å; T532-G585 WeakPolarHBondContact O-CA 3.21Å; T532-G585 PolarHBondContact OG1-O 3.2Å; T532-G585 VanDerWaalsContact OG1-O 3.05Å; T532-I587 HydrophobicContact CG2-CD1 4.2Å; T532-V606 HydrophobicContact CG2-CG2 4.25Å; T532-T621 HydrophobicContact CG2-CG2 4.44Å; T532-V623 HydrophobicContact CG2-CG2 3.9Å | ||
| 533 | T | 89.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 61 Ų | 61 | 37% | 0.368 | 34% | 0.338 | S | S | . | . | trans | -131.2 | 135.7 | -179.5 | 57 | 0 | 0 | 0 | 0 | 111.8 | F510 S511 Y515 T531 | F510-T533 WeakPolarHBondContact CA-O 3.31Å; F510-T533 WeakPolarHBondContact CD1-O 3.4Å; S511-T533 PolarHBondContact N-O 3.16Å; S511-T533 PolarHBondContact OG-O 3.21Å; S511-T533 PolarHBondContact OG-OG1 3.12Å; Y515-T533 PolarHBondContact OH-N 2.91Å; T531-T533 HydrophobicContact CG2-CG2 3.87Å | ||
| 534 | A | 88.9 | Confident | 85.7 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 165.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E509 F510 L543 Y545 V608 | E509-A534 CarbonylContact O-C 3.47Å; E509-A534 WeakPolarHBondContact O-CA 3.24Å; E509-A534 WeakPolarHBondContact O-CB 3.32Å; F510-A534 HydrophobicContact CD1-CB 3.97Å; F510-A534 HydrophobicContact CE1-CB 4.25Å; F510-A534 HydrophobicContact CG-CB 4.25Å; A534-L543 HydrophobicContact CB-CD1 4.35Å; A534-L543 WeakPolarHBondContact O-CD1 3.44Å; A534-Y545 HydrophobicContact CB-CE1 4.2Å; A534-Y545 PolarHBondContact N-OH 3.21Å; A534-V608 HydrophobicContact CB-CG1 4.06Å; A534-V608 HydrophobicContact CB-CG2 4.42Å |
| 535 | L | 85.8 | Confident | 85.8 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.6 | 173.9 | 177.7 | 64.8 | 0 | 0 | 0 | 108.8 | P508 E509 | P508-L535 WeakPolarHBondContact CA-O 2.98Å; E509-L535 PolarHBondContact N-O 3.08Å; E509-L535 PolarHBondContact O-N 2.76Å |
| 536 | D | 86.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 10% | 0.102 | 32% | 0.32 | C | S | . | . | trans | -120 | 173.6 | 161.9 | -131.9 | -40.1 | 0 | 0 | 0 | 111.1 | Q507 P508 A541 L543 | Q507-D536 VanDerWaalsContact C-OD1 3.25Å; Q507-D536 PolarHBondContact N-OD1 3.09Å; Q507-D536 VanDerWaalsContact N-OD1 3.09Å; P508-D536 VanDerWaalsContact CA-OD2 3.27Å; P508-D536 WeakPolarHBondContact CA-OD2 3.17Å; P508-D536 WeakPolarHBondContact CB-OD2 3.37Å; P508-D536 WeakPolarHBondContact CD-OD2 3.05Å; D536-A541 HydrophobicContact CB-CB 3.62Å; D536-L543 HydrophobicContact CB-CD2 4.23Å | ||
| 537 | R | 82.4 | Confident | 86.1 | Confident | 179 Ų | 179 | 59.8 Ų | 59.8 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -105.6 | -36 | -179 | -64.5 | -176.2 | -176.7 | -175.9 | 3.8 | 113.8 | F506 R539 | F506-R537 HydrophobicContact CB-CB 3.87Å; F506-R537 HydrophobicContact CB-CG 4.42Å; F506-R537 HydrophobicContact CD1-CB 4.4Å; F506-R537 HydrophobicContact CD2-CB 3.54Å; F506-R537 HydrophobicContact CE2-CB 4.21Å; F506-R537 HydrophobicContact CG-CB 3.66Å; F506-R537 HydrophobicContact CG-CG 4.29Å; R537-R539 PolarHBondContact O-N 3.28Å |
| 538 | D | 80.4 | Confident | 85.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -59.8 | 127.8 | 174.3 | -39.6 | -92.1 | 0 | 0 | 0 | 108.6 | N504 E505 F506 A540 A541 | N504-D538 VanDerWaalsContact CA-OD1 3.31Å; N504-D538 WeakPolarHBondContact CA-OD1 2.91Å; E505-D538 PolarHBondContact N-OD1 2.89Å; F506-D538 WeakPolarHBondContact CA-OD2 2.92Å; F506-D538 VanDerWaalsContact CB-OD2 3.27Å; F506-D538 WeakPolarHBondContact CB-OD2 3.43Å; F506-D538 WeakPolarHBondContact CD2-OD1 3.26Å; F506-D538 PolarHBondContact N-OD1 3.45Å; F506-D538 VanDerWaalsContact N-OD1 3.09Å; F506-D538 PolarHBondContact N-OD2 2.72Å; F506-D538 VanDerWaalsContact N-OD2 3.16Å; D538-A540 PolarHBondContact O-N 3.38Å; D538-A541 HydrophobicContact CB-CB 4.29Å; D538-A541 VanDerWaalsContact O-CB 3.26Å; D538-A541 WeakPolarHBondContact O-CB 3.29Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 VanDerWaalsContact O-N 3.08Å |
| 539 | R | 71.4 | Confident | 84.3 | Confident | 174 Ų | 174 | 56.6 Ų | 56.6 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -18.1 | -171.4 | -161.2 | 168.5 | 159.1 | -123.2 | 7.9 | 112.3 | Y469 D502 R537 | Y469-R539 HydrophobicContact CE1-CB 3.56Å; Y469-R539 HydrophobicContact CE1-CG 4.47Å; Y469-R539 PolarHBondContact OH-NH1 2.88Å; D502-R539 WeakPolarHBondContact OD2-CA 3.27Å; D502-R539 WeakPolarHBondContact OD2-CB 3.26Å; D502-R539 PolarHBondContact OD2-N 2.84Å; D502-R539 VanDerWaalsContact OD2-N 3.12Å; R537-R539 PolarHBondContact O-N 3.28Å |
| 540 | A | 66.9 | Low | 82.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | D502 D538 V542 | D502-A540 HydrophobicContact CB-CB 4.11Å; D502-A540 VanDerWaalsContact OD2-CB 3.26Å; D502-A540 WeakPolarHBondContact OD2-CB 3.45Å; D502-A540 PolarHBondContact OD2-N 3.33Å; D538-A540 PolarHBondContact O-N 3.38Å; A540-V542 WeakPolarHBondContact O-CG2 3.29Å; A540-V542 PolarHBondContact O-N 2.93Å |
| 541 | A | 71.8 | Confident | 80.1 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | trans | -61.9 | 118.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D536 D538 D610 | D536-A541 HydrophobicContact CB-CB 3.62Å; D538-A541 HydrophobicContact CB-CB 4.29Å; D538-A541 VanDerWaalsContact O-CB 3.26Å; D538-A541 WeakPolarHBondContact O-CB 3.29Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 VanDerWaalsContact O-N 3.08Å; A541-D610 CarbonylContact C-O 3.57Å | ||
| 542 | V | 81.1 | Confident | 77.3 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 62% | 0.618 | 35% | 0.35 | S | S | * | . | trans | -104.9 | 80 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | A540 S544 D610 | A540-V542 WeakPolarHBondContact O-CG2 3.29Å; A540-V542 PolarHBondContact O-N 2.93Å; V542-S544 PolarHBondContact O-N 2.89Å; V542-S544 VanDerWaalsContact O-N 3.09Å; V542-D610 CarbonylContact C-O 3.56Å; V542-D610 VanDerWaalsContact C-O 3.28Å; V542-D610 WeakPolarHBondContact CA-O 3.42Å; V542-D610 PolarHBondContact N-O 3.49Å | ||
| 543 | L | 88.5 | Confident | 74.6 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | trans | -50.6 | 115 | 178.7 | -64.7 | 179.3 | 0 | 0 | 0 | 112.1 | P508 A534 D536 Y545 V608 T609 | P508-L543 HydrophobicContact CB-CD2 3.64Å; A534-L543 HydrophobicContact CB-CD1 4.35Å; A534-L543 WeakPolarHBondContact O-CD1 3.44Å; D536-L543 HydrophobicContact CB-CD2 4.23Å; L543-Y545 HydrophobicContact CB-CE2 4.02Å; L543-V608 HydrophobicContact CB-CG2 4.09Å; L543-V608 HydrophobicContact CD2-CG2 3.98Å; L543-T609 CarbonylContact C-O 3.56Å; L543-T609 WeakPolarHBondContact CA-O 3.48Å | ||
| 544 | S | 90.4 | Very high | 71.5 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 106.6 | -178.7 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | V542 S582 V608 T609 | V542-S544 PolarHBondContact O-N 2.89Å; V542-S544 VanDerWaalsContact O-N 3.09Å; S544-S582 CarbonylContact C-O 3.57Å; S544-S582 WeakPolarHBondContact CA-O 3.3Å; S544-V608 WeakPolarHBondContact O-CA 3.33Å; S544-T609 PolarHBondContact N-O 3.21Å; S544-T609 PolarHBondContact O-N 3.4Å |
| 545 | Y | 93.2 | Very high | 68.8 | Low | 12 Ų | 12 | 82.7 Ų | 82.7 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137 | -178.9 | -57.3 | -97 | 0 | 0 | 0 | 111.1 | F510 A534 L543 S582 V606 V608 | F510-Y545 HydrophobicContact CE1-CD1 4.1Å; F510-Y545 AromaticContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CE1-CE1 3.84Å; F510-Y545 HydrophobicContact CZ-CD1 4.32Å; F510-Y545 HydrophobicContact CZ-CE1 4.37Å; A534-Y545 HydrophobicContact CB-CE1 4.2Å; A534-Y545 PolarHBondContact N-OH 3.21Å; L543-Y545 HydrophobicContact CB-CE2 4.02Å; Y545-S582 WeakPolarHBondContact CD2-O 3.29Å; Y545-S582 PolarHBondContact N-O 2.83Å; Y545-S582 VanDerWaalsContact O-CA 3.31Å; Y545-S582 WeakPolarHBondContact O-CA 3.44Å; Y545-S582 WeakPolarHBondContact O-CB 3.28Å; Y545-V606 HydrophobicContact CD1-CG1 4.41Å; Y545-V608 HydrophobicContact CD1-CB 4.03Å; Y545-V608 HydrophobicContact CD1-CG2 3.86Å; Y545-V608 HydrophobicContact CD2-CG2 4.42Å; Y545-V608 HydrophobicContact CE1-CB 4.2Å; Y545-V608 HydrophobicContact CE1-CG2 3.82Å; Y545-V608 HydrophobicContact CE2-CG2 4.38Å; Y545-V608 HydrophobicContact CG-CG2 4.17Å |
| 546 | K | 90.1 | Very high | 66.2 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.2 | 176.1 | 60.5 | -153.3 | 172.7 | -150 | 0 | 110.9 | L607 T609 | K546-L607 HydrophobicContact CD-CD2 4.44Å; K546-L607 VanDerWaalsContact CE-CD2 3.48Å; K546-L607 HydrophobicContact CG-CB 4.18Å; K546-L607 HydrophobicContact CG-CD2 4.22Å; K546-L607 HydrophobicContact CG-CG 4.23Å; K546-L607 PolarHBondContact N-O 2.84Å; K546-L607 PolarHBondContact O-N 3.09Å; K546-L607 VanDerWaalsContact O-O 3.1Å; K546-T609 PolarHBondContact NZ-OG1 3Å |
| 547 | F | 90.4 | Very high | 63.5 | Low | 39 Ų | 39 | 90 Ų | 90 | 17% | 0.171 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 141.1 | 165.3 | -61.6 | -54.4 | 0 | 0 | 0 | 109.8 | F578 I580 I587 L604 V605 V606 | F547-F578 HydrophobicContact CE2-CB 4.2Å; F547-F578 HydrophobicContact CZ-CB 4.07Å; F547-I580 HydrophobicContact CD1-CG2 4.34Å; F547-I580 HydrophobicContact CD2-CG2 3.96Å; F547-I580 HydrophobicContact CE1-CB 4.1Å; F547-I580 HydrophobicContact CE1-CG2 4.26Å; F547-I580 HydrophobicContact CE2-CB 4.01Å; F547-I580 HydrophobicContact CE2-CG2 3.89Å; F547-I580 HydrophobicContact CG-CG2 4.19Å; F547-I580 HydrophobicContact CZ-CB 3.75Å; F547-I580 HydrophobicContact CZ-CG2 4.03Å; F547-I587 HydrophobicContact CE1-CD1 4.1Å; F547-I587 HydrophobicContact CE1-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CD1 4.5Å; F547-I587 HydrophobicContact CZ-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CG2 4.25Å; F547-L604 HydrophobicContact CD1-CB 4.2Å; F547-L604 HydrophobicContact CE1-CB 4.04Å; F547-L604 HydrophobicContact CE1-CD1 3.7Å; F547-L604 HydrophobicContact CE1-CG 4.37Å; F547-L604 HydrophobicContact CZ-CD1 3.84Å; F547-V605 CarbonylContact C-O 3.58Å; F547-V605 WeakPolarHBondContact CA-O 3.36Å; F547-V606 HydrophobicContact CD1-CG2 4.02Å; F547-V606 HydrophobicContact CE1-CG2 3.99Å |
| 548 | A | 80.9 | Confident | 61 | Low | 22 Ų | 22 | 85 Ų | 85 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 139.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V605 L607 | A548-V605 HydrophobicContact CB-CB 4.09Å; A548-V605 HydrophobicContact CB-CG1 3.86Å; A548-V605 PolarHBondContact N-O 2.73Å; A548-L607 HydrophobicContact CB-CB 4.31Å |
| 549 | P | 64.6 | Low | 58.7 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 51% | 0.506 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 137 | 179.4 | 26.4 | -31.9 | 0 | 0 | 0 | 111.6 | S551 T552 | P549-S551 PolarHBondContact O-N 2.81Å; P549-T552 PolarHBondContact O-N 2.89Å; P549-T552 PolarHBondContact O-OG1 3.48Å |
| 550 | S | 53.9 | Low | 56.7 | Low | 52 Ų | 52 | 95.7 Ų | 95.7 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17.7 | -171.8 | -34.2 | 0 | 0 | 0 | 0 | 114.5 | T552 D572 | S550-T552 VanDerWaalsContact C-N 3.3Å; S550-T552 PolarHBondContact O-N 3.3Å; S550-D572 WeakPolarHBondContact CB-OD1 3.23Å; S550-D572 PolarHBondContact OG-OD1 3.09Å |
| 551 | S | 42.5 | Very low | 55.2 | Low | 101 Ų | 101 | 100.7 Ų | 100.7 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 2.1 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | P549 L553 | P549-S551 PolarHBondContact O-N 2.81Å; S551-L553 VanDerWaalsContact C-N 3.33Å; S551-L553 PolarHBondContact O-N 2.88Å |
| 552 | T | 33.3 | Very low | 53.3 | Low | 99 Ų | 99 | 104.2 Ų | 104.2 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | -89.2 | 14.4 | -173.2 | -31 | 0 | 0 | 0 | 0 | 114.5 | P549 S550 | P549-T552 PolarHBondContact O-N 2.89Å; P549-T552 PolarHBondContact O-OG1 3.48Å; S550-T552 VanDerWaalsContact C-N 3.3Å; S550-T552 PolarHBondContact O-N 3.3Å | ||
| 553 | L | 33.7 | Very low | 51.2 | Low | 169 Ų | 169 | 108.6 Ų | 108.6 | 89% | 0.885 | 60% | 0.602 | S | S | * | * | trans | -117.4 | 81.1 | 172 | -72.4 | 177.3 | 0 | 0 | 0 | 111 | S551 | S551-L553 VanDerWaalsContact C-N 3.33Å; S551-L553 PolarHBondContact O-N 2.88Å | ||
| 554 | S | 25.1 | Very low | 48.5 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -119.7 | 93.4 | 174.2 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 555 | F | 32.5 | Very low | 45.6 | Very low | 216 Ų | 216 | 120.8 Ų | 120.8 | 95% | 0.947 | 66% | 0.662 | S | S | * | * | trans | -125.7 | 152.2 | 161.3 | -84.9 | -81.4 | 0 | 0 | 0 | 110.3 | ||||
| 556 | S | 30.5 | Very low | 42.7 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | trans | -84.9 | 144.9 | -148 | 51.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 557 | E | 29.7 | Very low | 39.7 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | 31.5 | 112.9 | 145 | -59.1 | -169.3 | 116.2 | 0 | 0 | 119.3 | ||||
| 558 | G | 29.3 | Very low | 36.9 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | -149.8 | 63.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 559 | E | 33.9 | Very low | 34.4 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | trans | 68.7 | 162.8 | 167.2 | -158.4 | 146.6 | -146.9 | 0 | 0 | 117.4 | ||||
| 560 | K | 29.2 | Very low | 33 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -124.4 | 135.3 | -174.3 | -64.6 | 169.2 | -178.7 | 167.2 | 0 | 109.6 | ||||
| 561 | D | 35.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -143 | 150.2 | 144 | -142.8 | -22.2 | 0 | 0 | 0 | 110.9 | ||||
| 562 | S | 30 | Very low | 32.8 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -117.7 | 111.1 | -156.9 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 563 | H | 39 | Very low | 33.9 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -127.8 | 137.7 | 158.9 | -88.5 | -83.6 | 0 | 0 | 0 | 111.1 | ||||
| 564 | K | 30 | Very low | 35.3 | Very low | 217 Ų | 217 | 141.9 Ų | 141.9 | 94% | 0.943 | 76% | 0.758 | S | S | * | * | trans | -85.9 | 122.6 | 179.8 | -70.4 | -179.7 | 173.9 | -176.6 | 0 | 110.8 | ||||
| 565 | S | 31.2 | Very low | 37.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -146.7 | 150.5 | 155.3 | 47.9 | 0 | 0 | 0 | 0 | 107.6 | S567 | S565-S567 PolarHBondContact O-N 2.89Š| ||
| 566 | D | 32 | Very low | 39.8 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | trans | -62.8 | 132.4 | -160.7 | -61 | -77.9 | 0 | 0 | 0 | 114.5 | ||||
| 567 | S | 27.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -99.1 | 110.9 | -178.7 | 58 | 0 | 0 | 0 | 0 | 111 | S565 | S565-S567 PolarHBondContact O-N 2.89Š| ||
| 568 | I | 30.1 | Very low | 45.4 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 74% | 0.744 | 64% | 0.64 | S | S | * | * | trans | -128.1 | 140.4 | 167.1 | -58.6 | -177.5 | 0 | 0 | 0 | 108.9 | I570 | I568-I570 PolarHBondContact O-N 3.35Š| ||
| 569 | Q | 29.9 | Very low | 48.3 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | trans | -58.6 | 124.1 | -173.7 | -61.6 | 155 | -35.4 | 0 | 0 | 111.9 | ||||
| 570 | I | 35.3 | Very low | 51.1 | Low | 116 Ų | 116 | 112.9 Ų | 112.9 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | trans | -119 | -42.6 | -179.1 | -74.6 | 167.3 | 0 | 0 | 0 | 112.9 | I568 D572 E573 V574 | I568-I570 PolarHBondContact O-N 3.35Å; I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 3.48Å; I570-D572 VanDerWaalsContact O-N 3.11Å; I570-E573 WeakPolarHBondContact O-CB 3.41Å; I570-E573 PolarHBondContact O-N 2.94Å; I570-V574 HydrophobicContact CG2-CG2 4.27Å | ||
| 571 | D | 42.7 | Very low | 54 | Low | 133 Ų | 133 | 106.4 Ų | 106.4 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -16.6 | -166.6 | -62.4 | -34.5 | 0 | 0 | 0 | 116 | ||
| 572 | D | 48.1 | Very low | 56.5 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.4 | 172.7 | -91 | -26.2 | 0 | 0 | 0 | 113.8 | S550 I570 K576 | S550-D572 WeakPolarHBondContact CB-OD1 3.23Å; S550-D572 PolarHBondContact OG-OD1 3.09Å; I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 3.48Å; I570-D572 VanDerWaalsContact O-N 3.11Å; D572-K576 VanDerWaalsContact O-CE 3.25Å; D572-K576 WeakPolarHBondContact O-CE 3.16Å |
| 573 | E | 57.8 | Low | 59.2 | Low | 102 Ų | 102 | 104.5 Ų | 104.5 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -37.9 | 177.9 | -65.3 | -105.2 | 95.5 | 0 | 0 | 111.7 | I570 N575 K576 H577 | I570-E573 WeakPolarHBondContact O-CB 3.41Å; I570-E573 PolarHBondContact O-N 2.94Å; E573-N575 PolarHBondContact O-N 2.94Å; E573-K576 VanDerWaalsContact O-CB 3.23Å; E573-K576 WeakPolarHBondContact O-CB 3.27Å; E573-K576 VanDerWaalsContact O-CG 3.29Å; E573-K576 WeakPolarHBondContact O-CG 3.47Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.33Å; E573-K576 PolarHBondContact OE1-NZ 3.05Å; E573-H577 PolarHBondContact O-ND1 2.92Å |
| 574 | V | 63 | Low | 61.5 | Low | 31 Ų | 31 | 97.9 Ų | 97.9 | 19% | 0.188 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -63.7 | -41.3 | -168.5 | -160.2 | 0 | 0 | 0 | 0 | 112.2 | I570 K576 H577 V602 | I570-V574 HydrophobicContact CG2-CG2 4.27Å; V574-K576 PolarHBondContact O-N 3.07Å; V574-K576 VanDerWaalsContact O-N 3.09Å; V574-H577 PolarHBondContact O-N 2.86Å; V574-H577 PolarHBondContact O-ND1 3.03Å; V574-V602 HydrophobicContact CG1-CB 4.02Å; V574-V602 HydrophobicContact CG1-CG1 3.48Å; V574-V602 VanDerWaalsContact CG1-CG1 3.48Å; V574-V602 HydrophobicContact CG1-CG2 3.41Å; V574-V602 VanDerWaalsContact CG1-CG2 3.41Å |
| 575 | N | 70.3 | Confident | 64.4 | Low | 39 Ų | 39 | 87.6 Ų | 87.6 | 21% | 0.209 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -57.5 | -23.3 | 176 | -73.4 | -38.4 | 0 | 0 | 0 | 113.7 | E573 H577 F578 L604 | E573-N575 PolarHBondContact O-N 2.94Å; N575-H577 VanDerWaalsContact C-N 3.27Å; N575-H577 PolarHBondContact O-N 3.4Å; N575-F578 PolarHBondContact O-N 2.97Å; N575-L604 VanDerWaalsContact OD1-CD2 3.27Å; N575-L604 WeakPolarHBondContact OD1-CD2 3.38Å |
| 576 | K | 80.4 | Confident | 67.3 | Low | 102 Ų | 102 | 83.7 Ų | 83.7 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -69.3 | -23.6 | -176.3 | -56 | 176 | -177.7 | 175.5 | 0 | 113.2 | D572 E573 V574 F578 S590 I592 | D572-K576 VanDerWaalsContact O-CE 3.25Å; D572-K576 WeakPolarHBondContact O-CE 3.16Å; E573-K576 VanDerWaalsContact O-CB 3.23Å; E573-K576 WeakPolarHBondContact O-CB 3.27Å; E573-K576 VanDerWaalsContact O-CG 3.29Å; E573-K576 WeakPolarHBondContact O-CG 3.47Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.33Å; E573-K576 PolarHBondContact OE1-NZ 3.05Å; V574-K576 PolarHBondContact O-N 3.07Å; V574-K576 VanDerWaalsContact O-N 3.09Å; K576-F578 PolarHBondContact O-N 2.92Å; K576-S590 WeakPolarHBondContact O-CB 3.29Å; K576-S590 PolarHBondContact O-OG 2.96Å; K576-I592 HydrophobicContact CB-CD1 3.69Å |
| 577 | H | 86 | Confident | 70.2 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 13% | 0.13 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -74 | -12.4 | -178.3 | -56.1 | 84.7 | 0 | 0 | 0 | 113.3 | E573 V574 N575 S590 L594 I599 | E573-H577 PolarHBondContact O-ND1 2.92Å; V574-H577 PolarHBondContact O-N 2.86Å; V574-H577 PolarHBondContact O-ND1 3.03Å; N575-H577 VanDerWaalsContact C-N 3.27Å; N575-H577 PolarHBondContact O-N 3.4Å; H577-S590 VanDerWaalsContact C-OG 3.28Å; H577-S590 WeakPolarHBondContact CA-OG 3.31Å; H577-S590 WeakPolarHBondContact O-CB 3.4Å; H577-S590 PolarHBondContact O-N 2.62Å; H577-S590 PolarHBondContact O-OG 2.7Å; H577-S590 VanDerWaalsContact O-OG 3.12Å; H577-L594 HydrophobicContact CB-CD2 3.7Å; H577-I599 VanDerWaalsContact CE1-CD1 3.44Å; H577-I599 WeakPolarHBondContact CE1-CD1 3.41Å |
| 578 | F | 91.6 | Very high | 73.3 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.2 | -176.2 | -56.1 | -77.8 | 0 | 0 | 0 | 111.5 | I529 F547 N575 K576 I587 R588 L594 V602 L604 I625 | I529-F578 HydrophobicContact CD1-CD1 3.48Å; I529-F578 VanDerWaalsContact CD1-CD1 3.48Å; I529-F578 HydrophobicContact CD1-CE1 3.55Å; F547-F578 HydrophobicContact CE2-CB 4.2Å; F547-F578 HydrophobicContact CZ-CB 4.07Å; N575-F578 PolarHBondContact O-N 2.97Å; K576-F578 PolarHBondContact O-N 2.92Å; F578-I587 HydrophobicContact CB-CG2 4.25Å; F578-I587 HydrophobicContact CD1-CG2 4.41Å; F578-R588 CarbonylContact C-O 3.54Å; F578-R588 VanDerWaalsContact CA-O 3.31Å; F578-R588 WeakPolarHBondContact CA-O 3.44Å; F578-L594 HydrophobicContact CE1-CD1 4.18Å; F578-L594 HydrophobicContact CE1-CD2 4.19Å; F578-L594 HydrophobicContact CE2-CD2 4.26Å; F578-L594 HydrophobicContact CZ-CD1 4.33Å; F578-L594 HydrophobicContact CZ-CD2 3.68Å; F578-V602 HydrophobicContact CD2-CG1 4.37Å; F578-V602 HydrophobicContact CE2-CB 4.05Å; F578-V602 HydrophobicContact CE2-CG1 3.82Å; F578-V602 HydrophobicContact CE2-CG2 3.98Å; F578-V602 HydrophobicContact CZ-CG2 4.42Å; F578-L604 HydrophobicContact CB-CD1 4.05Å; F578-L604 HydrophobicContact CD2-CD1 3.91Å; F578-L604 HydrophobicContact CD2-CD2 4.11Å; F578-L604 HydrophobicContact CG-CD1 3.94Å; F578-I625 HydrophobicContact CD1-CD1 3.91Å; F578-I625 HydrophobicContact CE1-CD1 3.64Å; F578-I625 HydrophobicContact CE1-CG2 4.26Å; F578-I625 HydrophobicContact CE2-CD1 4.37Å; F578-I625 HydrophobicContact CG-CD1 4.37Å; F578-I625 HydrophobicContact CZ-CD1 3.89Å; F578-I625 HydrophobicContact CZ-CG2 4.16Å |
| 579 | I | 91 | Very high | 76.3 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.6 | 174.4 | -59.3 | 175.2 | 0 | 0 | 0 | 107.6 | I587 R588 | I579-I587 WeakPolarHBondContact O-CA 3.33Å; I579-R588 PolarHBondContact N-O 2.89Å; I579-R588 PolarHBondContact O-N 3.31Å |
| 580 | I | 92.6 | Very high | 79 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.4 | 169.1 | -170.2 | 166.6 | 0 | 0 | 0 | 110.2 | F547 S582 I586 I587 V606 | F547-I580 HydrophobicContact CD1-CG2 4.34Å; F547-I580 HydrophobicContact CD2-CG2 3.96Å; F547-I580 HydrophobicContact CE1-CB 4.1Å; F547-I580 HydrophobicContact CE1-CG2 4.26Å; F547-I580 HydrophobicContact CE2-CB 4.01Å; F547-I580 HydrophobicContact CE2-CG2 3.89Å; F547-I580 HydrophobicContact CG-CG2 4.19Å; F547-I580 HydrophobicContact CZ-CB 3.75Å; F547-I580 HydrophobicContact CZ-CG2 4.03Å; I580-S582 PolarHBondContact O-N 2.81Å; I580-I586 WeakPolarHBondContact CA-O 3.32Å; I580-I587 HydrophobicContact CB-CG1 4.28Å; I580-I587 HydrophobicContact CD1-CG1 4.05Å; I580-I587 HydrophobicContact CG1-CG1 4.07Å; I580-V606 HydrophobicContact CD1-CB 4.39Å; I580-V606 HydrophobicContact CD1-CG1 3.51Å; I580-V606 HydrophobicContact CD1-CG2 3.9Å |
| 581 | E | 89.3 | Confident | 81.4 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | trans | -76.9 | 110.5 | 176.8 | -179 | 170.6 | -105.7 | 0 | 0 | 109.4 | Q583 T584 G585 I586 R588 | E581-Q583 PolarHBondContact O-N 2.87Å; E581-T584 WeakPolarHBondContact CB-OG1 3.36Å; E581-T584 HydrophobicContact CG-CG2 4.24Å; E581-T584 VanDerWaalsContact CG-OG1 3.28Å; E581-T584 WeakPolarHBondContact CG-OG1 3.28Å; E581-T584 PolarHBondContact O-N 3.48Å; E581-T584 VanDerWaalsContact O-N 3.12Å; E581-T584 WeakPolarHBondContact OE2-CB 3.36Å; E581-T584 VanDerWaalsContact OE2-CG2 3.27Å; E581-T584 WeakPolarHBondContact OE2-CG2 3.42Å; E581-T584 PolarHBondContact OE2-OG1 2.91Å; E581-G585 PolarHBondContact O-N 2.9Å; E581-I586 HydrophobicContact CB-CB 4.41Å; E581-I586 PolarHBondContact N-O 3.4Å; E581-R588 VanDerWaalsContact CD-NH1 3.28Å; E581-R588 IonicContact OE1-CZ 2.94Å; E581-R588 IonicContact OE1-NH1 2.64Å; E581-R588 PolarHBondContact OE1-NH1 2.78Å; E581-R588 IonicContact OE1-NH2 2.8Å; E581-R588 IonicContact OE2-NH1 2.65Å; E581-R588 IonicContact OE2-NH2 2.7Å | ||
| 582 | S | 89.1 | Confident | 83.4 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 43% | 0.427 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | -161.5 | 58.2 | 0 | 0 | 0 | 0 | 115.7 | S544 Y545 I580 | S544-S582 CarbonylContact C-O 3.57Å; S544-S582 WeakPolarHBondContact CA-O 3.3Å; Y545-S582 WeakPolarHBondContact CD2-O 3.29Å; Y545-S582 PolarHBondContact N-O 2.83Å; Y545-S582 VanDerWaalsContact O-CA 3.31Å; Y545-S582 WeakPolarHBondContact O-CA 3.44Å; Y545-S582 WeakPolarHBondContact O-CB 3.28Å; I580-S582 PolarHBondContact O-N 2.81Å |
| 583 | Q | 86.4 | Confident | 85.1 | Confident | 163 Ų | 163 | 56.2 Ų | 56.2 | 76% | 0.762 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -21.7 | 178.1 | -65.4 | 178.4 | -14.6 | 0 | 0 | 113.5 | E581 | E581-Q583 PolarHBondContact O-N 2.87Š|
| 584 | T | 88.4 | Confident | 86.6 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -17.8 | -170.4 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | T531 E581 I586 | T531-T584 WeakPolarHBondContact CG2-O 3.2Å; E581-T584 WeakPolarHBondContact CB-OG1 3.36Å; E581-T584 HydrophobicContact CG-CG2 4.24Å; E581-T584 VanDerWaalsContact CG-OG1 3.28Å; E581-T584 WeakPolarHBondContact CG-OG1 3.28Å; E581-T584 PolarHBondContact O-N 3.48Å; E581-T584 VanDerWaalsContact O-N 3.12Å; E581-T584 WeakPolarHBondContact OE2-CB 3.36Å; E581-T584 VanDerWaalsContact OE2-CG2 3.27Å; E581-T584 WeakPolarHBondContact OE2-CG2 3.42Å; E581-T584 PolarHBondContact OE2-OG1 2.91Å; T584-I586 PolarHBondContact O-N 2.91Å; T584-I586 WeakPolarHBondContact OG1-CG1 3.49Å; T584-I586 PolarHBondContact OG1-N 3.34Å |
| 585 | G | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 68.3 | 14 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T532 E581 | T532-G585 PolarHBondContact N-O 2.72Å; T532-G585 WeakPolarHBondContact O-CA 3.21Å; T532-G585 PolarHBondContact OG1-O 3.2Å; T532-G585 VanDerWaalsContact OG1-O 3.05Å; E581-G585 PolarHBondContact O-N 2.9Å | ||
| 586 | I | 93.4 | Very high | 88.8 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.5 | 173.5 | -61.3 | 172.3 | 0 | 0 | 0 | 109.2 | D528 T531 I580 E581 T584 R588 | D528-I586 HydrophobicContact CB-CG2 4.24Å; D528-I586 WeakPolarHBondContact OD1-CG2 3.33Å; T531-I586 HydrophobicContact CG2-CG1 3.74Å; I580-I586 WeakPolarHBondContact CA-O 3.32Å; E581-I586 HydrophobicContact CB-CB 4.41Å; E581-I586 PolarHBondContact N-O 3.4Å; T584-I586 PolarHBondContact O-N 2.91Å; T584-I586 WeakPolarHBondContact OG1-CG1 3.49Å; T584-I586 PolarHBondContact OG1-N 3.34Å; I586-R588 HydrophobicContact CG2-CG 4.16Å |
| 587 | I | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.2 | 172.1 | -61.5 | 174.4 | 0 | 0 | 0 | 108.5 | I529 L530 T532 F547 F578 I579 I580 L604 V606 V623 | I529-I587 WeakPolarHBondContact CB-O 3.43Å; I529-I587 HydrophobicContact CD1-CG2 4.35Å; I529-I587 PolarHBondContact N-O 3.12Å; L530-I587 HydrophobicContact CD1-CD1 4.05Å; L530-I587 PolarHBondContact O-N 2.94Å; T532-I587 HydrophobicContact CG2-CD1 4.2Å; F547-I587 HydrophobicContact CE1-CD1 4.1Å; F547-I587 HydrophobicContact CE1-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CD1 4.5Å; F547-I587 HydrophobicContact CZ-CG1 4.35Å; F547-I587 HydrophobicContact CZ-CG2 4.25Å; F578-I587 HydrophobicContact CB-CG2 4.25Å; F578-I587 HydrophobicContact CD1-CG2 4.41Å; I579-I587 WeakPolarHBondContact O-CA 3.33Å; I580-I587 HydrophobicContact CB-CG1 4.28Å; I580-I587 HydrophobicContact CD1-CG1 4.05Å; I580-I587 HydrophobicContact CG1-CG1 4.07Å; I587-L604 HydrophobicContact CG2-CD1 4.44Å; I587-V606 HydrophobicContact CD1-CG2 4.04Å; I587-V623 HydrophobicContact CD1-CB 4.37Å; I587-V623 HydrophobicContact CD1-CG1 4.01Å; I587-V623 HydrophobicContact CD1-CG2 3.94Å |
| 588 | R | 92.6 | Very high | 89.2 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 158.6 | 179 | -70.7 | -179.3 | 172.4 | 119.7 | 22.6 | 111.9 | G526 M527 D528 F578 I579 E581 I586 | G526-R588 WeakPolarHBondContact O-CD 3.27Å; M527-R588 WeakPolarHBondContact O-CA 3.13Å; D528-R588 WeakPolarHBondContact OD1-CG 3.47Å; D528-R588 IonicContact OD1-CZ 3.17Å; D528-R588 VanDerWaalsContact OD1-CZ 3.25Å; D528-R588 IonicContact OD1-NE 2.69Å; D528-R588 PolarHBondContact OD1-NE 2.85Å; D528-R588 IonicContact OD1-NH2 3.76Å; D528-R588 PolarHBondContact OD1-NH2 3.18Å; F578-R588 CarbonylContact C-O 3.54Å; F578-R588 VanDerWaalsContact CA-O 3.31Å; F578-R588 WeakPolarHBondContact CA-O 3.44Å; I579-R588 PolarHBondContact N-O 2.89Å; I579-R588 PolarHBondContact O-N 3.31Å; E581-R588 VanDerWaalsContact CD-NH1 3.28Å; E581-R588 IonicContact OE1-CZ 2.94Å; E581-R588 IonicContact OE1-NH1 2.64Å; E581-R588 PolarHBondContact OE1-NH1 2.78Å; E581-R588 IonicContact OE1-NH2 2.8Å; E581-R588 IonicContact OE2-NH1 2.65Å; E581-R588 IonicContact OE2-NH2 2.7Å; I586-R588 HydrophobicContact CG2-CG 4.16Å |
| 589 | T | 91.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143.4 | 159.6 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | V519 A523 P524 G526 M527 I529 L594 | V519-T589 HydrophobicContact CG1-CG2 4.11Å; A523-T589 HydrophobicContact CB-CG2 3.92Å; P524-T589 PolarHBondContact O-OG1 3.28Å; G526-T589 PolarHBondContact N-O 2.85Å; G526-T589 PolarHBondContact N-OG1 3.5Å; M527-T589 HydrophobicContact CB-CG2 4.29Å; M527-T589 PolarHBondContact N-OG1 3.31Å; M527-T589 PolarHBondContact O-N 3.05Å; M527-T589 VanDerWaalsContact O-N 3.11Å; I529-T589 HydrophobicContact CD1-CG2 3.97Å; I529-T589 HydrophobicContact CG1-CG2 4.4Å; T589-L594 HydrophobicContact CG2-CD1 4.13Å |
| 590 | S | 87.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | trans | -84.2 | -171.1 | 178.3 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | P525 K576 H577 I592 | P525-S590 VanDerWaalsContact CA-O 3.29Å; P525-S590 WeakPolarHBondContact CA-O 3.17Å; P525-S590 WeakPolarHBondContact CB-O 3.36Å; P525-S590 WeakPolarHBondContact CG-O 3.44Å; K576-S590 WeakPolarHBondContact O-CB 3.29Å; K576-S590 PolarHBondContact O-OG 2.96Å; H577-S590 VanDerWaalsContact C-OG 3.28Å; H577-S590 WeakPolarHBondContact CA-OG 3.31Å; H577-S590 WeakPolarHBondContact O-CB 3.4Å; H577-S590 PolarHBondContact O-N 2.62Å; H577-S590 PolarHBondContact O-OG 2.7Å; H577-S590 VanDerWaalsContact O-OG 3.12Å; S590-I592 VanDerWaalsContact C-N 3.3Å; S590-I592 WeakPolarHBondContact OG-CB 3.46Å; S590-I592 PolarHBondContact OG-N 3.19Å; S590-I592 PolarHBondContact OG-O 3.29Å | ||
| 591 | Q | 84.9 | Confident | 88.1 | Confident | 153 Ų | 153 | 59.5 Ų | 59.5 | 72% | 0.715 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -79.1 | -11.3 | 167.9 | -63 | -63.7 | -42.5 | 0 | 0 | 113.4 | ||
| 592 | I | 84.6 | Confident | 88 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 40% | 0.395 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -86.1 | 121.9 | 168.3 | -61.6 | 163.6 | 0 | 0 | 0 | 106.3 | K576 S590 | K576-I592 HydrophobicContact CB-CD1 3.69Å; S590-I592 VanDerWaalsContact C-N 3.3Å; S590-I592 WeakPolarHBondContact OG-CB 3.46Å; S590-I592 PolarHBondContact OG-N 3.19Å; S590-I592 PolarHBondContact OG-O 3.29Å |
| 593 | P | 84.4 | Confident | 87.9 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 154.3 | -179.7 | 29 | -35.4 | 0 | 0 | 0 | 111 | ||
| 594 | L | 88.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 158.2 | 163.7 | -63.1 | 167.7 | 0 | 0 | 0 | 108.6 | V519 E521 H577 F578 T589 I627 | V519-L594 HydrophobicContact CB-CD1 4.21Å; V519-L594 HydrophobicContact CG1-CD1 3.74Å; E521-L594 HydrophobicContact CB-CB 4.46Å; E521-L594 CarbonylContact O-C 3.52Å; E521-L594 WeakPolarHBondContact O-CB 3.31Å; E521-L594 VanDerWaalsContact O-O 3.13Å; H577-L594 HydrophobicContact CB-CD2 3.7Å; F578-L594 HydrophobicContact CE1-CD1 4.18Å; F578-L594 HydrophobicContact CE1-CD2 4.19Å; F578-L594 HydrophobicContact CE2-CD2 4.26Å; F578-L594 HydrophobicContact CZ-CD1 4.33Å; F578-L594 HydrophobicContact CZ-CD2 3.68Å; T589-L594 HydrophobicContact CG2-CD1 4.13Å; L594-I627 HydrophobicContact CB-CG2 4.48Å; L594-I627 HydrophobicContact CD2-CD1 3.92Å |
| 595 | D | 89 | Confident | 88 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | trans | -161.7 | 109.9 | -170.8 | -177.8 | -74.9 | 0 | 0 | 0 | 106.2 | K598 I599 | D595-K598 HydrophobicContact CB-CB 4.32Å; D595-K598 HydrophobicContact CB-CD 4.21Å; D595-K598 PolarHBondContact O-N 3.09Å; D595-K598 VanDerWaalsContact OD1-CB 3.27Å; D595-K598 WeakPolarHBondContact OD1-CB 3.43Å; D595-K598 WeakPolarHBondContact OD1-CD 3.35Å; D595-K598 WeakPolarHBondContact OD1-CG 3.28Å; D595-K598 PolarHBondContact OD1-N 2.98Å; D595-K598 IonicContact OD1-NZ 3.57Å; D595-K598 PolarHBondContact OD1-NZ 3.1Å; D595-K598 IonicContact OD2-NZ 3.22Å; D595-K598 PolarHBondContact OD2-NZ 2.76Å; D595-I599 PolarHBondContact O-N 2.86Å | ||
| 596 | R | 91.2 | Very high | 88 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -31.8 | -168.1 | -173.5 | -145.1 | 63.6 | 106.1 | 0.7 | 111.4 | E521 K598 I599 I627 D629 | E521-R596 HydrophobicContact CB-CB 4.31Å; E521-R596 WeakPolarHBondContact OE2-CA 3.22Å; E521-R596 WeakPolarHBondContact OE2-CB 3.5Å; E521-R596 PolarHBondContact OE2-N 3.08Å; R596-K598 PolarHBondContact O-N 2.88Å; R596-I599 WeakPolarHBondContact CA-O 3.45Å; R596-I599 CarbonylContact O-C 3.47Å; R596-I599 PolarHBondContact O-N 3.46Å; R596-I627 HydrophobicContact CB-CG2 3.97Å; R596-I627 HydrophobicContact CG-CG2 4.3Å; R596-D629 IonicContact CZ-OD1 2.67Å; R596-D629 IonicContact NE-OD1 3.68Å; R596-D629 PolarHBondContact NE-OD1 2.82Å; R596-D629 IonicContact NH1-OD1 2.76Å; R596-D629 IonicContact NH2-OD1 2.65Å; R596-D629 PolarHBondContact NH2-OD1 2.84Å |
| 597 | E | 89.1 | Confident | 87.9 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.7 | 173.4 | -68.3 | 59.5 | -120.5 | 0 | 0 | 111.3 | P678 | E597-P678 HydrophobicContact CG-CB 4.03Å; E597-P678 HydrophobicContact CG-CG 4.47Å |
| 598 | K | 84.9 | Confident | 87.9 | Confident | 158 Ų | 158 | 51.3 Ų | 51.3 | 69% | 0.687 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -44.6 | 169.3 | -70.8 | 170.1 | -163 | 70 | 0 | 113.5 | D595 R596 | D595-K598 HydrophobicContact CB-CB 4.32Å; D595-K598 HydrophobicContact CB-CD 4.21Å; D595-K598 PolarHBondContact O-N 3.09Å; D595-K598 VanDerWaalsContact OD1-CB 3.27Å; D595-K598 WeakPolarHBondContact OD1-CB 3.43Å; D595-K598 WeakPolarHBondContact OD1-CD 3.35Å; D595-K598 WeakPolarHBondContact OD1-CG 3.28Å; D595-K598 PolarHBondContact OD1-N 2.98Å; D595-K598 IonicContact OD1-NZ 3.57Å; D595-K598 PolarHBondContact OD1-NZ 3.1Å; D595-K598 IonicContact OD2-NZ 3.22Å; D595-K598 PolarHBondContact OD2-NZ 2.76Å; R596-K598 PolarHBondContact O-N 2.88Å |
| 599 | I | 83.6 | Confident | 87.7 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | trans | -139.6 | 107.8 | -170 | -48.1 | -178.5 | 0 | 0 | 0 | 111.1 | H577 D595 R596 V602 I627 | H577-I599 VanDerWaalsContact CE1-CD1 3.44Å; H577-I599 WeakPolarHBondContact CE1-CD1 3.41Å; D595-I599 PolarHBondContact O-N 2.86Å; R596-I599 WeakPolarHBondContact CA-O 3.45Å; R596-I599 CarbonylContact O-C 3.47Å; R596-I599 PolarHBondContact O-N 3.46Å; I599-V602 HydrophobicContact CG2-CG2 3.66Å; I599-I627 HydrophobicContact CB-CD1 4.1Å; I599-I627 HydrophobicContact CG2-CD1 3.84Å; I599-I627 WeakPolarHBondContact O-CB 3.49Å; I599-I627 WeakPolarHBondContact O-CD1 3.26Å | ||
| 600 | G | 82.8 | Confident | 87.6 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -84.8 | -24.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I627 | G600-I627 PolarHBondContact O-N 2.91Š|
| 601 | S | 86.5 | Confident | 87 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 60% | 0.601 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 157 | 178 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | I625 | S601-I625 CarbonylContact C-O 3.57Å; S601-I625 WeakPolarHBondContact CA-O 3.44Å |
| 602 | V | 86.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142 | -173.8 | 177.4 | 0 | 0 | 0 | 0 | 111 | V574 F578 I599 L604 I625 I627 | V574-V602 HydrophobicContact CG1-CB 4.02Å; V574-V602 HydrophobicContact CG1-CG1 3.48Å; V574-V602 VanDerWaalsContact CG1-CG1 3.48Å; V574-V602 HydrophobicContact CG1-CG2 3.41Å; V574-V602 VanDerWaalsContact CG1-CG2 3.41Å; F578-V602 HydrophobicContact CD2-CG1 4.37Å; F578-V602 HydrophobicContact CE2-CB 4.05Å; F578-V602 HydrophobicContact CE2-CG1 3.82Å; F578-V602 HydrophobicContact CE2-CG2 3.98Å; F578-V602 HydrophobicContact CZ-CG2 4.42Å; I599-V602 HydrophobicContact CG2-CG2 3.66Å; V602-L604 HydrophobicContact CG1-CD2 3.58Å; V602-L604 HydrophobicContact CG1-CG 3.97Å; V602-I625 PolarHBondContact N-O 2.74Å; V602-I625 PolarHBondContact O-N 2.93Å; V602-I627 HydrophobicContact CG2-CD1 4.1Å |
| 603 | T | 86.9 | Confident | 85.7 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.4 | 167.9 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | V623 | T603-V623 CarbonylContact C-O 3.5Å; T603-V623 WeakPolarHBondContact CA-O 3.2Å |
| 604 | L | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.9 | 179.7 | -50.8 | 172.1 | 0 | 0 | 0 | 109.9 | F547 N575 F578 I587 V602 V623 I625 | F547-L604 HydrophobicContact CD1-CB 4.2Å; F547-L604 HydrophobicContact CE1-CB 4.04Å; F547-L604 HydrophobicContact CE1-CD1 3.7Å; F547-L604 HydrophobicContact CE1-CG 4.37Å; F547-L604 HydrophobicContact CZ-CD1 3.84Å; N575-L604 VanDerWaalsContact OD1-CD2 3.27Å; N575-L604 WeakPolarHBondContact OD1-CD2 3.38Å; F578-L604 HydrophobicContact CB-CD1 4.05Å; F578-L604 HydrophobicContact CD2-CD1 3.91Å; F578-L604 HydrophobicContact CD2-CD2 4.11Å; F578-L604 HydrophobicContact CG-CD1 3.94Å; I587-L604 HydrophobicContact CG2-CD1 4.44Å; V602-L604 HydrophobicContact CG1-CD2 3.58Å; V602-L604 HydrophobicContact CG1-CG 3.97Å; L604-V623 HydrophobicContact CB-CB 4.32Å; L604-V623 PolarHBondContact N-O 2.97Å; L604-V623 PolarHBondContact O-N 3.39Å; L604-I625 HydrophobicContact CD1-CD1 3.78Å |
| 605 | V | 89.1 | Confident | 84.5 | Confident | 63 Ų | 63 | 53 Ų | 53 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.1 | 171.6 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | F547 A548 T622 | F547-V605 CarbonylContact C-O 3.58Å; F547-V605 WeakPolarHBondContact CA-O 3.36Å; A548-V605 HydrophobicContact CB-CB 4.09Å; A548-V605 HydrophobicContact CB-CG1 3.86Å; A548-V605 PolarHBondContact N-O 2.73Å; V605-T622 HydrophobicContact CG2-CG2 4.48Å |
| 606 | V | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.9 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | F510 T532 Y545 F547 I580 I587 T620 T621 V623 | F510-V606 HydrophobicContact CE1-CG1 4.39Å; F510-V606 HydrophobicContact CZ-CG1 3.97Å; T532-V606 HydrophobicContact CG2-CG2 4.25Å; Y545-V606 HydrophobicContact CD1-CG1 4.41Å; F547-V606 HydrophobicContact CD1-CG2 4.02Å; F547-V606 HydrophobicContact CE1-CG2 3.99Å; I580-V606 HydrophobicContact CD1-CB 4.39Å; I580-V606 HydrophobicContact CD1-CG1 3.51Å; I580-V606 HydrophobicContact CD1-CG2 3.9Å; I587-V606 HydrophobicContact CD1-CG2 4.04Å; V606-T620 CarbonylContact O-C 3.52Å; V606-T620 WeakPolarHBondContact O-CA 3.46Å; V606-T621 HydrophobicContact CB-CG2 4.03Å; V606-T621 PolarHBondContact N-O 2.69Å; V606-T621 PolarHBondContact O-N 2.87Å; V606-V623 HydrophobicContact CG2-CG2 3.81Å |
| 607 | L | 91.2 | Very high | 83.9 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.1 | 177.7 | 168.6 | 62.5 | 0 | 0 | 0 | 108.1 | K546 A548 A619 T620 | K546-L607 HydrophobicContact CD-CD2 4.44Å; K546-L607 VanDerWaalsContact CE-CD2 3.48Å; K546-L607 HydrophobicContact CG-CB 4.18Å; K546-L607 HydrophobicContact CG-CD2 4.22Å; K546-L607 HydrophobicContact CG-CG 4.23Å; K546-L607 PolarHBondContact N-O 2.84Å; K546-L607 PolarHBondContact O-N 3.09Å; K546-L607 VanDerWaalsContact O-O 3.1Å; A548-L607 HydrophobicContact CB-CB 4.31Å; L607-A619 WeakPolarHBondContact CA-O 3.45Å; L607-A619 WeakPolarHBondContact CD1-O 3.35Å; L607-T620 HydrophobicContact CB-CG2 4.2Å; L607-T620 HydrophobicContact CD1-CG2 3.8Å |
| 608 | V | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.4 | 171.2 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | P508 F510 A534 L543 S544 Y545 T618 A619 | P508-V608 HydrophobicContact CB-CG1 3.95Å; P508-V608 HydrophobicContact CG-CG1 4.01Å; F510-V608 HydrophobicContact CD2-CG1 4.19Å; F510-V608 HydrophobicContact CE1-CG1 4.46Å; F510-V608 HydrophobicContact CE2-CB 4.06Å; F510-V608 HydrophobicContact CE2-CG1 3.52Å; F510-V608 HydrophobicContact CZ-CB 3.72Å; F510-V608 HydrophobicContact CZ-CG1 3.67Å; A534-V608 HydrophobicContact CB-CG1 4.06Å; A534-V608 HydrophobicContact CB-CG2 4.42Å; L543-V608 HydrophobicContact CB-CG2 4.09Å; L543-V608 HydrophobicContact CD2-CG2 3.98Å; S544-V608 WeakPolarHBondContact O-CA 3.33Å; Y545-V608 HydrophobicContact CD1-CB 4.03Å; Y545-V608 HydrophobicContact CD1-CG2 3.86Å; Y545-V608 HydrophobicContact CD2-CG2 4.42Å; Y545-V608 HydrophobicContact CE1-CB 4.2Å; Y545-V608 HydrophobicContact CE1-CG2 3.82Å; Y545-V608 HydrophobicContact CE2-CG2 4.38Å; Y545-V608 HydrophobicContact CG-CG2 4.17Å; V608-T618 VanDerWaalsContact O-CA 3.28Å; V608-T618 WeakPolarHBondContact O-CA 3.48Å; V608-A619 HydrophobicContact CG1-CB 4.06Å; V608-A619 PolarHBondContact N-O 2.86Å; V608-A619 PolarHBondContact O-N 2.9Å; V608-A619 VanDerWaalsContact O-N 3.07Å |
| 609 | T | 90.2 | Very high | 84.2 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140 | 173 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | L543 S544 K546 I616 F617 T618 | L543-T609 CarbonylContact C-O 3.56Å; L543-T609 WeakPolarHBondContact CA-O 3.48Å; S544-T609 PolarHBondContact N-O 3.21Å; S544-T609 PolarHBondContact O-N 3.4Å; K546-T609 PolarHBondContact NZ-OG1 3Å; T609-I616 HydrophobicContact CG2-CG2 4.35Å; T609-F617 WeakPolarHBondContact CA-O 3.24Å; T609-T618 HydrophobicContact CG2-CG2 3.6Å |
| 610 | D | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -69 | -34.2 | 179.7 | 59.1 | -13.7 | 0 | 0 | 0 | 114.9 | N504 A541 V542 I616 F617 | N504-D610 PolarHBondContact ND2-OD2 2.9Å; A541-D610 CarbonylContact C-O 3.57Å; V542-D610 CarbonylContact C-O 3.56Å; V542-D610 VanDerWaalsContact C-O 3.28Å; V542-D610 WeakPolarHBondContact CA-O 3.42Å; V542-D610 PolarHBondContact N-O 3.49Å; D610-I616 VanDerWaalsContact OD1-CA 3.23Å; D610-I616 WeakPolarHBondContact OD1-CA 3.43Å; D610-I616 VanDerWaalsContact OD1-CG2 3.29Å; D610-I616 WeakPolarHBondContact OD1-CG2 3.33Å; D610-F617 PolarHBondContact N-O 3.17Å; D610-F617 PolarHBondContact OD1-N 2.89Å; D610-F617 WeakPolarHBondContact OD2-CB 3.41Å; D610-F617 VanDerWaalsContact OD2-CD2 3.26Å; D610-F617 WeakPolarHBondContact OD2-CD2 3.36Å; D610-F617 PolarHBondContact OD2-N 3.47Å |
| 611 | S | 76.4 | Confident | 85 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | trans | -144.2 | 159.9 | -161.1 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | S613 | S611-S613 PolarHBondContact OG-N 2.89Å; S611-S613 PolarHBondContact OG-O 2.8Å | ||
| 612 | V | 72.7 | Confident | 85.2 | Confident | 137 Ų | 137 | 49.1 Ų | 49.1 | 83% | 0.83 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -103 | -2.7 | 172 | -73.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 613 | S | 69.5 | Low | 85.5 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -140.3 | 133.6 | -178 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | S611 P615 | S611-S613 PolarHBondContact OG-N 2.89Å; S611-S613 PolarHBondContact OG-O 2.8Å; S613-P615 CarbonylContact O-C 3.51Å |
| 614 | P | 70.6 | Confident | 85.6 | Confident | 121 Ų | 121 | 46.1 Ų | 46.1 | 79% | 0.786 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -52.9 | 138.2 | -177.2 | -29 | 36.1 | 0 | 0 | 0 | 114.7 | ||
| 615 | P | 76 | Confident | 85.7 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | S | Bend | cis | -67 | 148.6 | -1.1 | 30 | -35.8 | 0 | 0 | 0 | 113 | S613 F617 | S613-P615 CarbonylContact O-C 3.51Å; P615-F617 HydrophobicContact CB-CE2 4.15Å; P615-F617 HydrophobicContact CB-CZ 4.32Å; P615-F617 HydrophobicContact CG-CE2 4.5Å |
| 616 | I | 82.3 | Confident | 85.8 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -132.2 | 111.9 | 174.3 | -58.3 | 174.8 | 0 | 0 | 0 | 106.8 | T609 D610 T618 | T609-I616 HydrophobicContact CG2-CG2 4.35Å; D610-I616 VanDerWaalsContact OD1-CA 3.23Å; D610-I616 WeakPolarHBondContact OD1-CA 3.43Å; D610-I616 VanDerWaalsContact OD1-CG2 3.29Å; D610-I616 WeakPolarHBondContact OD1-CG2 3.33Å; I616-T618 HydrophobicContact CG2-CG2 4.24Å | ||
| 617 | F | 85.5 | Confident | 85.8 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | trans | -93.8 | 151 | 172.2 | -58.1 | -73.3 | 0 | 0 | 0 | 111.4 | F506 Q507 T609 D610 P615 | F506-F617 WeakPolarHBondContact O-CD2 3.41Å; F506-F617 WeakPolarHBondContact O-CE2 3.41Å; Q507-F617 HydrophobicContact CB-CB 3.54Å; Q507-F617 HydrophobicContact CB-CD1 4.35Å; Q507-F617 HydrophobicContact CB-CD2 4.41Å; Q507-F617 HydrophobicContact CB-CG 3.88Å; T609-F617 WeakPolarHBondContact CA-O 3.24Å; D610-F617 PolarHBondContact N-O 3.17Å; D610-F617 PolarHBondContact OD1-N 2.89Å; D610-F617 WeakPolarHBondContact OD2-CB 3.41Å; D610-F617 VanDerWaalsContact OD2-CD2 3.26Å; D610-F617 WeakPolarHBondContact OD2-CD2 3.36Å; D610-F617 PolarHBondContact OD2-N 3.47Å; P615-F617 HydrophobicContact CB-CE2 4.15Å; P615-F617 HydrophobicContact CB-CZ 4.32Å; P615-F617 HydrophobicContact CG-CE2 4.5Å | ||
| 618 | T | 90.9 | Very high | 85.8 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 145.4 | -167.6 | 79.7 | 0 | 0 | 0 | 0 | 112.6 | V608 T609 I616 | V608-T618 VanDerWaalsContact O-CA 3.28Å; V608-T618 WeakPolarHBondContact O-CA 3.48Å; T609-T618 HydrophobicContact CG2-CG2 3.6Å; I616-T618 HydrophobicContact CG2-CG2 4.24Å |
| 619 | A | 90.4 | Very high | 85.8 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 162.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P508 F510 L607 V608 | P508-A619 HydrophobicContact CG-CB 4.44Å; P508-A619 WeakPolarHBondContact O-CB 3.34Å; F510-A619 HydrophobicContact CD2-CB 4.14Å; F510-A619 HydrophobicContact CE2-CB 4.34Å; L607-A619 WeakPolarHBondContact CA-O 3.45Å; L607-A619 WeakPolarHBondContact CD1-O 3.35Å; V608-A619 HydrophobicContact CG1-CB 4.06Å; V608-A619 PolarHBondContact N-O 2.86Å; V608-A619 PolarHBondContact O-N 2.9Å; V608-A619 VanDerWaalsContact O-N 3.07Å |
| 620 | T | 91.9 | Very high | 85.8 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.8 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | V606 L607 | V606-T620 CarbonylContact O-C 3.52Å; V606-T620 WeakPolarHBondContact O-CA 3.46Å; L607-T620 HydrophobicContact CB-CG2 4.2Å; L607-T620 HydrophobicContact CD1-CG2 3.8Å |
| 621 | T | 91.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.7 | 174 | -166.8 | 0 | 0 | 0 | 0 | 110.5 | F510 R512 R513 Y515 T532 V606 | F510-T621 HydrophobicContact CD1-CG2 3.69Å; F510-T621 HydrophobicContact CD2-CG2 3.97Å; F510-T621 HydrophobicContact CE1-CG2 3.58Å; F510-T621 HydrophobicContact CE2-CG2 3.86Å; F510-T621 HydrophobicContact CG-CG2 3.89Å; F510-T621 HydrophobicContact CZ-CG2 3.67Å; R512-T621 PolarHBondContact O-OG1 2.78Å; R513-T621 VanDerWaalsContact C-OG1 3.26Å; R513-T621 PolarHBondContact O-OG1 3.28Å; Y515-T621 HydrophobicContact CD2-CG2 4.26Å; Y515-T621 HydrophobicContact CE2-CG2 3.91Å; T532-T621 HydrophobicContact CG2-CG2 4.44Å; V606-T621 HydrophobicContact CB-CG2 4.03Å; V606-T621 PolarHBondContact N-O 2.69Å; V606-T621 PolarHBondContact O-N 2.87Å |
| 622 | T | 91.1 | Very high | 86.6 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 151.8 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | R513 V514 Y515 V605 | R513-T622 PolarHBondContact O-N 3.45Å; V514-T622 CarbonylContact C-O 3.6Å; V514-T622 WeakPolarHBondContact CA-O 3.26Å; Y515-T622 PolarHBondContact N-O 3.43Å; V605-T622 HydrophobicContact CG2-CG2 4.48Å |
| 623 | V | 90.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.9 | -177.1 | -175 | 0 | 0 | 0 | 0 | 109.3 | Y515 L530 T532 I587 T603 L604 V606 I625 | Y515-V623 HydrophobicContact CD2-CG2 4.42Å; Y515-V623 WeakPolarHBondContact O-CA 3.42Å; L530-V623 HydrophobicContact CD1-CG1 4.19Å; L530-V623 HydrophobicContact CD2-CG1 3.65Å; L530-V623 HydrophobicContact CG-CG1 4.42Å; T532-V623 HydrophobicContact CG2-CG2 3.9Å; I587-V623 HydrophobicContact CD1-CB 4.37Å; I587-V623 HydrophobicContact CD1-CG1 4.01Å; I587-V623 HydrophobicContact CD1-CG2 3.94Å; T603-V623 CarbonylContact C-O 3.5Å; T603-V623 WeakPolarHBondContact CA-O 3.2Å; L604-V623 HydrophobicContact CB-CB 4.32Å; L604-V623 PolarHBondContact N-O 2.97Å; L604-V623 PolarHBondContact O-N 3.39Å; V606-V623 HydrophobicContact CG2-CG2 3.81Å; V623-I625 HydrophobicContact CG1-CG1 4.24Å |
| 624 | S | 89.5 | Confident | 88.3 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | Y515 V516 S517 | Y515-S624 PolarHBondContact O-N 2.93Å; V516-S624 WeakPolarHBondContact CA-O 3.33Å; S517-S624 PolarHBondContact N-O 3.24Å; S517-S624 VanDerWaalsContact N-O 3.07Å |
| 625 | I | 90.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.9 | -176.9 | -55.1 | 178.7 | 0 | 0 | 0 | 109.2 | S517 V519 I529 F578 S601 V602 L604 V623 | S517-I625 WeakPolarHBondContact O-CA 3.36Å; V519-I625 HydrophobicContact CB-CG2 4.46Å; V519-I625 HydrophobicContact CG2-CG2 3.77Å; I529-I625 HydrophobicContact CG2-CD1 4.34Å; F578-I625 HydrophobicContact CD1-CD1 3.91Å; F578-I625 HydrophobicContact CE1-CD1 3.64Å; F578-I625 HydrophobicContact CE1-CG2 4.26Å; F578-I625 HydrophobicContact CE2-CD1 4.37Å; F578-I625 HydrophobicContact CG-CD1 4.37Å; F578-I625 HydrophobicContact CZ-CD1 3.89Å; F578-I625 HydrophobicContact CZ-CG2 4.16Å; S601-I625 CarbonylContact C-O 3.57Å; S601-I625 WeakPolarHBondContact CA-O 3.44Å; V602-I625 PolarHBondContact N-O 2.74Å; V602-I625 PolarHBondContact O-N 2.93Å; L604-I625 HydrophobicContact CD1-CD1 3.78Å; V623-I625 HydrophobicContact CG1-CG1 4.24Å |
| 626 | E | 90.4 | Very high | 89.9 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.5 | 171.5 | -173.9 | 171.8 | -160.6 | 0 | 0 | 110 | S517 G518 V519 L628 | S517-E626 PolarHBondContact O-N 3.46Å; S517-E626 VanDerWaalsContact O-N 3.08Å; G518-E626 CarbonylContact C-O 3.57Å; G518-E626 VanDerWaalsContact CA-O 3.27Å; G518-E626 WeakPolarHBondContact CA-O 3.49Å; V519-E626 PolarHBondContact N-O 3.2Å; E626-L628 HydrophobicContact CG-CD2 4.2Å |
| 627 | I | 90.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.5 | -178.9 | -63 | 163.5 | 0 | 0 | 0 | 108.8 | V519 E521 L594 R596 I599 G600 V602 | V519-I627 CarbonylContact O-C 3.6Å; V519-I627 WeakPolarHBondContact O-CA 3.48Å; E521-I627 HydrophobicContact CB-CG2 4.01Å; L594-I627 HydrophobicContact CB-CG2 4.48Å; L594-I627 HydrophobicContact CD2-CD1 3.92Å; R596-I627 HydrophobicContact CB-CG2 3.97Å; R596-I627 HydrophobicContact CG-CG2 4.3Å; I599-I627 HydrophobicContact CB-CD1 4.1Å; I599-I627 HydrophobicContact CG2-CD1 3.84Å; I599-I627 WeakPolarHBondContact O-CB 3.49Å; I599-I627 WeakPolarHBondContact O-CD1 3.26Å; G600-I627 PolarHBondContact O-N 2.91Å; V602-I627 HydrophobicContact CG2-CD1 4.1Å |
| 628 | L | 91.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136 | -166.7 | -51.9 | 174.7 | 0 | 0 | 0 | 112.1 | V519 E521 E626 | V519-L628 PolarHBondContact O-N 3.32Å; E521-L628 PolarHBondContact N-O 3.26Å; E521-L628 VanDerWaalsContact N-O 3.17Å; E626-L628 HydrophobicContact CG-CD2 4.2Å |
| 629 | D | 91.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -68.4 | 128.6 | -176.7 | -170.8 | 97.7 | 0 | 0 | 0 | 113.6 | E521 R596 Q680 N683 | E521-D629 VanDerWaalsContact OE1-CA 3.28Å; E521-D629 WeakPolarHBondContact OE1-CA 3.47Å; R596-D629 IonicContact CZ-OD1 2.67Å; R596-D629 IonicContact NE-OD1 3.68Å; R596-D629 PolarHBondContact NE-OD1 2.82Å; R596-D629 IonicContact NH1-OD1 2.76Å; R596-D629 IonicContact NH2-OD1 2.65Å; R596-D629 PolarHBondContact NH2-OD1 2.84Å; D629-Q680 HydrophobicContact CB-CB 4.22Å; D629-Q680 VanDerWaalsContact CG-CB 3.48Å; D629-Q680 WeakPolarHBondContact OD1-CA 3.34Å; D629-Q680 WeakPolarHBondContact OD1-CB 3.27Å; D629-Q680 PolarHBondContact OD1-N 3.36Å; D629-N683 PolarHBondContact OD2-ND2 2.77Å | ||
| 630 | E | 90.1 | Very high | 88.8 | Confident | 86 Ų | 86 | 44 Ų | 44 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | trans | -123.7 | 147.5 | 167.5 | -61.4 | -163.3 | 143 | 0 | 0 | 110.9 | P520 E521 D632 | P520-E630 HydrophobicContact CB-CG 4.39Å; E521-E630 PolarHBondContact OE1-N 2.9Å; E630-D632 VanDerWaalsContact C-N 3.34Å; E630-D632 PolarHBondContact O-N 2.58Å | ||
| 631 | N | 90.8 | Very high | 87.6 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | trans | -79.2 | 75.7 | -175.9 | -167.1 | 118.5 | 0 | 0 | 0 | 111.3 | D679 N683 D773 G775 L779 | N631-D679 VanDerWaalsContact CA-OD2 3.3Å; N631-D679 WeakPolarHBondContact CA-OD2 3.35Å; N631-N683 HydrophobicContact CB-CB 4.14Å; N631-N683 WeakPolarHBondContact OD1-CA 3.25Å; N631-N683 WeakPolarHBondContact OD1-CB 3.04Å; N631-N683 PolarHBondContact OD1-OD1 2.97Å; N631-N683 VanDerWaalsContact OD1-OD1 3.13Å; N631-D773 PolarHBondContact ND2-OD2 3.41Å; N631-G775 WeakPolarHBondContact OD1-CA 3.29Å; N631-L779 WeakPolarHBondContact ND2-CD1 3.45Å; N631-L779 WeakPolarHBondContact ND2-CG 3.32Å; N631-L779 WeakPolarHBondContact O-CD1 3.2Å | ||
| 632 | D | 90.2 | Very high | 86.1 | Confident | 73 Ų | 73 | 45 Ų | 45 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | trans | -105.9 | -18.9 | -175.7 | 89.6 | 2.9 | 0 | 0 | 0 | 115.3 | N522 E630 D679 | N522-D632 PolarHBondContact ND2-OD2 3.36Å; E630-D632 VanDerWaalsContact C-N 3.34Å; E630-D632 PolarHBondContact O-N 2.58Å; D632-D679 PolarHBondContact N-OD2 3.47Å; D632-D679 VanDerWaalsContact N-OD2 3.13Å | ||
| 633 | N | 88.7 | Confident | 84.4 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 131.2 | 177.1 | -63.1 | -83.7 | 0 | 0 | 0 | 111.5 | P678 D679 L779 | N633-P678 HydrophobicContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CG-CG 3.48Å; N633-D679 VanDerWaalsContact CB-OD1 3.22Å; N633-D679 WeakPolarHBondContact CB-OD1 3.23Å; N633-D679 PolarHBondContact N-OD2 3.24Å; N633-D679 VanDerWaalsContact N-OD2 3.14Å; N633-D679 PolarHBondContact ND2-OD1 3.09Å; N633-L779 WeakPolarHBondContact O-CD1 3.26Å |
| 634 | A | 88.6 | Confident | 82 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -88 | 142.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V636 L779 | A634-V636 WeakPolarHBondContact O-CG2 3.34Å; A634-V636 PolarHBondContact O-N 3.35Å; A634-L779 HydrophobicContact CB-CB 3.87Å; A634-L779 HydrophobicContact CB-CD1 4.28Å |
| 635 | P | 92.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 119.5 | -178.5 | 19.6 | -31.1 | 0 | 0 | 0 | 112.4 | K676 D677 V686 V771 D773 S781 | P635-K676 CarbonylContact C-O 3.55Å; P635-K676 WeakPolarHBondContact CA-O 3.33Å; P635-D677 WeakPolarHBondContact CA-OD2 3.27Å; P635-D677 HydrophobicContact CB-CB 4.34Å; P635-D677 WeakPolarHBondContact CB-OD2 3.1Å; P635-D677 VanDerWaalsContact CD-OD2 3.3Å; P635-D677 WeakPolarHBondContact CD-OD2 3.49Å; P635-V686 HydrophobicContact CB-CG1 3.7Å; P635-V771 HydrophobicContact CB-CG1 4.15Å; P635-V771 HydrophobicContact CB-CG2 4.46Å; P635-V771 HydrophobicContact CG-CG1 4.34Å; P635-V771 WeakPolarHBondContact O-CG1 3.46Å; P635-D773 HydrophobicContact CG-CB 4.21Å; P635-S781 VanDerWaalsContact O-CB 3.24Å; P635-S781 WeakPolarHBondContact O-CB 3.36Å; P635-S781 PolarHBondContact O-OG 3.01Å |
| 636 | V | 87.8 | Confident | 76.9 | Confident | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.2 | -176.1 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | A634 T638 V642 A675 K676 | A634-V636 WeakPolarHBondContact O-CG2 3.34Å; A634-V636 PolarHBondContact O-N 3.35Å; V636-T638 PolarHBondContact O-N 3.12Å; V636-V642 HydrophobicContact CG1-CB 4.3Å; V636-V642 HydrophobicContact CG1-CG2 3.78Å; V636-A675 CarbonylContact O-C 3.58Å; V636-A675 WeakPolarHBondContact O-CA 3.21Å; V636-A675 WeakPolarHBondContact O-CB 3.22Å; V636-K676 PolarHBondContact N-O 2.89Å; V636-K676 PolarHBondContact O-N 2.88Å |
| 637 | F | 87.3 | Confident | 74 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128.3 | 170.1 | -71.6 | -95.9 | 0 | 0 | 0 | 111 | P640 P641 V642 E674 F688 I769 V771 S781 T783 | F637-P640 WeakPolarHBondContact CB-O 3.29Å; F637-P641 WeakPolarHBondContact O-CA 3.31Å; F637-V642 HydrophobicContact CB-CG2 3.81Å; F637-V642 HydrophobicContact CD2-CG2 4.15Å; F637-V642 HydrophobicContact CG-CG2 4.49Å; F637-V642 PolarHBondContact O-N 2.99Å; F637-E674 CarbonylContact C-O 3.59Å; F637-E674 VanDerWaalsContact CA-O 3.32Å; F637-E674 WeakPolarHBondContact CA-O 3.07Å; F637-F688 HydrophobicContact CD1-CD1 4.41Å; F637-F688 AromaticContact CD1-CE1 3.92Å; F637-F688 HydrophobicContact CD1-CE1 3.92Å; F637-F688 AromaticContact CE1-CD1 3.71Å; F637-F688 HydrophobicContact CE1-CD1 3.71Å; F637-F688 AromaticContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CZ-CD1 4.33Å; F637-I769 HydrophobicContact CD1-CD1 4.49Å; F637-I769 HydrophobicContact CE1-CD1 3.72Å; F637-I769 HydrophobicContact CE1-CG1 4.22Å; F637-I769 HydrophobicContact CZ-CD1 3.95Å; F637-I769 HydrophobicContact CZ-CG1 3.92Å; F637-V771 HydrophobicContact CD2-CG1 3.72Å; F637-V771 HydrophobicContact CE1-CB 4.22Å; F637-V771 HydrophobicContact CE1-CG1 4.4Å; F637-V771 HydrophobicContact CE2-CB 3.96Å; F637-V771 HydrophobicContact CE2-CG1 3.5Å; F637-V771 HydrophobicContact CG-CG1 4.27Å; F637-V771 HydrophobicContact CZ-CB 3.8Å; F637-V771 HydrophobicContact CZ-CG1 3.88Å; F637-S781 WeakPolarHBondContact CD2-OG 3.31Å; F637-T783 HydrophobicContact CD2-CG2 3.99Å; F637-T783 HydrophobicContact CE1-CG2 4.46Å; F637-T783 HydrophobicContact CE2-CG2 3.93Å; F637-T783 HydrophobicContact CG-CG2 4.28Å; F637-T783 HydrophobicContact CZ-CG2 4.16Å |
| 638 | T | 84.5 | Confident | 71.2 | Confident | 58 Ų | 58 | 68 Ų | 68 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -26 | 169.6 | 54.6 | 0 | 0 | 0 | 0 | 112 | V636 E674 A675 K676 | V636-T638 PolarHBondContact O-N 3.12Å; T638-E674 PolarHBondContact N-O 2.9Å; T638-E674 VanDerWaalsContact OG1-C 3.28Å; T638-E674 WeakPolarHBondContact OG1-CB 3.47Å; T638-E674 PolarHBondContact OG1-O 2.81Å; T638-A675 PolarHBondContact OG1-N 2.88Å; T638-K676 HydrophobicContact CG2-CB 4.07Å; T638-K676 HydrophobicContact CG2-CD 3.99Å; T638-K676 HydrophobicContact CG2-CG 3.79Å |
| 639 | N | 79.4 | Confident | 68.4 | Low | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124.8 | 166 | -163.6 | 48.3 | 0 | 0 | 0 | 111.7 | Q671 R672 L673 E674 | N639-Q671 PolarHBondContact ND2-OE1 3.25Å; N639-Q671 PolarHBondContact OD1-OE1 3.49Å; N639-R672 PolarHBondContact ND2-O 2.84Å; N639-L673 VanDerWaalsContact O-CA 3.32Å; N639-L673 WeakPolarHBondContact O-CA 3.17Å; N639-E674 HydrophobicContact CB-CB 4.07Å; N639-E674 HydrophobicContact CB-CG 4.31Å; N639-E674 PolarHBondContact N-O 2.85Å; N639-E674 VanDerWaalsContact N-O 3.15Å; N639-E674 PolarHBondContact O-N 2.98Å |
| 640 | P | 75.1 | Confident | 65.7 | Low | 6 Ų | 6 | 70.3 Ų | 70.3 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -61 | 140.2 | -17 | 32.4 | -37.9 | 0 | 0 | 0 | 109.6 | F637 V642 F655 L673 T783 L785 | F637-P640 WeakPolarHBondContact CB-O 3.29Å; P640-V642 PolarHBondContact O-N 3.11Å; P640-F655 HydrophobicContact CB-CD1 3.52Å; P640-F655 HydrophobicContact CB-CE1 3.77Å; P640-F655 HydrophobicContact CB-CG 4.29Å; P640-L673 VanDerWaalsContact CD-CD2 3.48Å; P640-T783 HydrophobicContact CG-CG2 4.07Å; P640-L785 HydrophobicContact CB-CD2 4.29Å; P640-L785 HydrophobicContact CG-CD2 3.81Å; P640-L785 HydrophobicContact CG-CG 4.47Å |
| 641 | P | 67 | Low | 63.3 | Low | 60 Ų | 60 | 69.7 Ų | 69.7 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 137.7 | 174.7 | 24.2 | -34.6 | 0 | 0 | 0 | 110.8 | F637 R643 F655 | F637-P641 WeakPolarHBondContact O-CA 3.31Å; P641-R643 PolarHBondContact O-N 3.34Å; P641-F655 HydrophobicContact CG-CE1 4.11Å; P641-F655 HydrophobicContact CG-CZ 3.62Å |
| 642 | V | 60.4 | Low | 60.9 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 134.4 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V636 F637 P640 S644 | V636-V642 HydrophobicContact CG1-CB 4.3Å; V636-V642 HydrophobicContact CG1-CG2 3.78Å; F637-V642 HydrophobicContact CB-CG2 3.81Å; F637-V642 HydrophobicContact CD2-CG2 4.15Å; F637-V642 HydrophobicContact CG-CG2 4.49Å; F637-V642 PolarHBondContact O-N 2.99Å; P640-V642 PolarHBondContact O-N 3.11Å; V642-S644 PolarHBondContact O-N 3.05Å |
| 643 | R | 56 | Low | 58.8 | Low | 165 Ų | 165 | 75.1 Ų | 75.1 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | trans | -59.8 | 110.8 | 173.5 | -74.7 | -176.2 | 176.7 | -168.1 | -5.5 | 109.5 | P641 N652 | P641-R643 PolarHBondContact O-N 3.34Å; R643-N652 PolarHBondContact NH2-OD1 2.72Å | ||
| 644 | S | 39.2 | Very low | 56.8 | Low | 78 Ų | 78 | 78.4 Ų | 78.4 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | trans | -64.9 | 148.7 | 158.9 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | V642 E646 | V642-S644 PolarHBondContact O-N 3.05Å; S644-E646 PolarHBondContact O-N 2.87Å; S644-E646 VanDerWaalsContact O-N 3.07Å | ||
| 645 | S | 38.4 | Very low | 55.4 | Low | 126 Ų | 126 | 78.3 Ų | 78.3 | 88% | 0.881 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 1 | 177.9 | 43 | 0 | 0 | 0 | 0 | 114.3 | ||
| 646 | E | 34.4 | Very low | 54.1 | Low | 174 Ų | 174 | 79.2 Ų | 79.2 | 81% | 0.813 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | 7.8 | -171.2 | -58 | -175.5 | 142.4 | 0 | 0 | 112.8 | S644 | S644-E646 PolarHBondContact O-N 2.87Å; S644-E646 VanDerWaalsContact O-N 3.07Å |
| 647 | A | 30.4 | Very low | 53.7 | Low | 60 Ų | 60 | 76.8 Ų | 76.8 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | trans | -68.5 | 126.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 648 | P | 31.2 | Very low | 53.5 | Low | 115 Ų | 115 | 81 Ų | 81 | 75% | 0.747 | 46% | 0.457 | S | S | * | . | trans | -65.1 | 152.3 | -178.8 | 26.1 | -34.1 | 0 | 0 | 0 | 112.2 | G650 | P648-G650 PolarHBondContact O-N 3.47Š| ||
| 649 | Q | 32.7 | Very low | 53.6 | Low | 100 Ų | 100 | 78.8 Ų | 78.8 | 47% | 0.467 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 3.2 | -164.3 | -73.2 | 168 | -35.8 | 0 | 0 | 117.5 | N652 D726 | Q649-N652 PolarHBondContact O-ND2 3Å; Q649-D726 PolarHBondContact NE2-OD1 2.72Å |
| 650 | G | 35.6 | Very low | 54 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -24.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | P648 N652 | P648-G650 PolarHBondContact O-N 3.47Å; G650-N652 PolarHBondContact O-N 3.15Å |
| 651 | D | 38.7 | Very low | 54.5 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -90.2 | 9.9 | -166 | -111.6 | 23.5 | 0 | 0 | 0 | 115.8 | E653 K654 | D651-E653 PolarHBondContact O-N 2.89Å; D651-E653 VanDerWaalsContact O-N 3.17Å; D651-K654 PolarHBondContact O-N 2.61Å; D651-K654 VanDerWaalsContact O-N 3.17Å; D651-K654 IonicContact OD1-NZ 3.22Å; D651-K654 PolarHBondContact OD1-NZ 3.16Å; D651-K654 WeakPolarHBondContact OD2-CD 3.43Å; D651-K654 IonicContact OD2-NZ 3.17Å; D651-K654 PolarHBondContact OD2-NZ 3.29Å |
| 652 | N | 40.4 | Very low | 55.4 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.3 | -177.5 | -75.7 | -69.1 | 0 | 0 | 0 | 114.3 | R643 Q649 G650 L727 | R643-N652 PolarHBondContact NH2-OD1 2.72Å; Q649-N652 PolarHBondContact O-ND2 3Å; G650-N652 PolarHBondContact O-N 3.15Å; N652-L727 HydrophobicContact CB-CD1 3.89Å |
| 653 | E | 46.2 | Very low | 56.5 | Low | 169 Ų | 169 | 85 Ų | 85 | 79% | 0.79 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -82.1 | -25.5 | 177 | -60.8 | -171.4 | 152.9 | 0 | 0 | 113.2 | D651 F655 A656 | D651-E653 PolarHBondContact O-N 2.89Å; D651-E653 VanDerWaalsContact O-N 3.17Å; E653-F655 PolarHBondContact O-N 3.05Å; E653-F655 VanDerWaalsContact O-N 3.08Å; E653-A656 PolarHBondContact O-N 3.35Å; E653-A656 VanDerWaalsContact O-N 3.15Å |
| 654 | K | 47.6 | Very low | 58.1 | Low | 127 Ų | 127 | 81.5 Ų | 81.5 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.1 | -178 | -79.3 | -153.3 | -179 | 86.2 | 0 | 114.1 | D651 | D651-K654 PolarHBondContact O-N 2.61Å; D651-K654 VanDerWaalsContact O-N 3.17Å; D651-K654 IonicContact OD1-NZ 3.22Å; D651-K654 PolarHBondContact OD1-NZ 3.16Å; D651-K654 WeakPolarHBondContact OD2-CD 3.43Å; D651-K654 IonicContact OD2-NZ 3.17Å; D651-K654 PolarHBondContact OD2-NZ 3.29Å |
| 655 | F | 59.6 | Low | 60.4 | Low | 39 Ų | 39 | 84 Ų | 84 | 17% | 0.171 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 18.1 | -177 | -47 | -57.9 | 0 | 0 | 0 | 112.8 | P640 P641 E653 L785 R786 | P640-F655 HydrophobicContact CB-CD1 3.52Å; P640-F655 HydrophobicContact CB-CE1 3.77Å; P640-F655 HydrophobicContact CB-CG 4.29Å; P641-F655 HydrophobicContact CG-CE1 4.11Å; P641-F655 HydrophobicContact CG-CZ 3.62Å; E653-F655 PolarHBondContact O-N 3.05Å; E653-F655 VanDerWaalsContact O-N 3.08Å; F655-L785 HydrophobicContact CB-CD2 4.32Å; F655-R786 PolarHBondContact O-N 2.97Å |
| 656 | A | 63.9 | Low | 62.8 | Low | 20 Ų | 20 | 83.8 Ų | 83.8 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 105.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E653 T658 R786 | E653-A656 PolarHBondContact O-N 3.35Å; E653-A656 VanDerWaalsContact O-N 3.15Å; A656-T658 PolarHBondContact O-N 3.11Å; A656-R786 CarbonylContact C-O 3.33Å; A656-R786 WeakPolarHBondContact CA-O 3.36Å |
| 657 | F | 80.5 | Confident | 65.3 | Low | 29 Ų | 29 | 77.7 Ų | 77.7 | 13% | 0.127 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114 | 172.3 | -60 | -80.2 | 0 | 0 | 0 | 109.2 | L669 Q671 L785 R786 V787 N788 | F657-L669 HydrophobicContact CB-CB 4.4Å; F657-L669 HydrophobicContact CB-CD1 4.3Å; F657-L669 HydrophobicContact CB-CD2 4.17Å; F657-L669 HydrophobicContact CD1-CB 3.85Å; F657-L669 HydrophobicContact CD2-CB 4.38Å; F657-L669 HydrophobicContact CD2-CD1 4.32Å; F657-L669 HydrophobicContact CE1-CB 4.18Å; F657-L669 HydrophobicContact CG-CB 3.96Å; F657-L669 HydrophobicContact CG-CD1 4.31Å; F657-Q671 HydrophobicContact CE1-CG 4.43Å; F657-L785 HydrophobicContact CE2-CB 4.29Å; F657-L785 HydrophobicContact CE2-CD1 4.01Å; F657-L785 HydrophobicContact CE2-CD2 3.76Å; F657-L785 HydrophobicContact CE2-CG 4.24Å; F657-L785 HydrophobicContact CZ-CD2 4.5Å; F657-R786 PolarHBondContact N-O 3.4Å; F657-V787 HydrophobicContact CB-CG2 4.48Å; F657-V787 CarbonylContact O-C 3.5Å; F657-V787 VanDerWaalsContact O-CA 3.25Å; F657-V787 WeakPolarHBondContact O-CA 3.47Å; F657-N788 PolarHBondContact O-N 2.84Å |
| 658 | T | 82 | Confident | 68 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.1 | 175 | 51.2 | 0 | 0 | 0 | 0 | 111 | A656 N788 | A656-T658 PolarHBondContact O-N 3.11Å; T658-N788 HydrophobicContact CG2-CB 4.36Å |
| 659 | I | 87.5 | Confident | 70.1 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.9 | 171.6 | -170.1 | 164.2 | 0 | 0 | 0 | 108.5 | A663 T667 T753 L757 V787 N788 V789 Q790 | I659-A663 HydrophobicContact CD1-CB 3.89Å; I659-A663 HydrophobicContact CG1-CB 3.63Å; I659-T667 HydrophobicContact CD1-CG2 4.29Å; I659-T753 HydrophobicContact CD1-CG2 3.98Å; I659-L757 HydrophobicContact CD1-CD1 4.18Å; I659-L757 HydrophobicContact CG2-CD1 3.66Å; I659-V787 HydrophobicContact CG2-CG1 3.79Å; I659-N788 PolarHBondContact N-O 3.43Å; I659-N788 VanDerWaalsContact O-O 3.11Å; I659-V789 HydrophobicContact CG2-CG2 4.41Å; I659-V789 WeakPolarHBondContact O-CA 3.35Å; I659-Q790 PolarHBondContact O-N 2.91Å; I659-Q790 VanDerWaalsContact O-N 3.13Å |
| 660 | M | 86.4 | Confident | 71.3 | Confident | 123 Ų | 123 | 75.4 Ų | 75.4 | 61% | 0.606 | 41% | 0.405 | S | S | * | . | trans | -73.8 | 146.2 | 173 | -168.2 | 166.8 | -80.2 | 0 | 0 | 108.8 | A663 | M660-A663 WeakPolarHBondContact O-CB 3.49Å; M660-A663 PolarHBondContact O-N 3.02Å | ||
| 661 | E | 87.4 | Confident | 72.8 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 155.5 | 166.2 | 58.5 | -168 | 155.6 | 0 | 0 | 111.2 | A663 L757 R759 V789 Q790 A792 | E661-A663 PolarHBondContact O-N 2.95Å; E661-L757 WeakPolarHBondContact CA-O 3.15Å; E661-R759 WeakPolarHBondContact OE2-CB 3.33Å; E661-R759 PolarHBondContact OE2-N 3.34Å; E661-V789 HydrophobicContact CB-CG1 3.7Å; E661-Q790 VanDerWaalsContact CD-O 3.29Å; E661-Q790 WeakPolarHBondContact CG-O 3.38Å; E661-A792 PolarHBondContact OE1-N 2.89Å; E661-A792 VanDerWaalsContact OE1-N 3.08Å |
| 662 | N | 85.7 | Confident | 74.9 | Confident | 129 Ų | 129 | 79.3 Ų | 79.3 | 69% | 0.69 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 18.2 | -173.3 | -55.5 | -80.6 | 0 | 0 | 0 | 115.3 | L757 | N662-L757 PolarHBondContact N-O 2.8Š|
| 663 | A | 83.6 | Confident | 77.1 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 151 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I659 M660 E661 E756 | I659-A663 HydrophobicContact CD1-CB 3.89Å; I659-A663 HydrophobicContact CG1-CB 3.63Å; M660-A663 WeakPolarHBondContact O-CB 3.49Å; M660-A663 PolarHBondContact O-N 3.02Å; E661-A663 PolarHBondContact O-N 2.95Å; A663-E756 WeakPolarHBondContact O-CG 3.42Å |
| 664 | P | 88.2 | Confident | 79 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 159.4 | -174.5 | -22.2 | 34.9 | 0 | 0 | 0 | 116.5 | T667 T753 | P664-T667 WeakPolarHBondContact O-CB 3.44Å; P664-T667 PolarHBondContact O-OG1 2.85Å; P664-T753 PolarHBondContact O-OG1 2.7Å |
| 665 | R | 87.6 | Confident | 81 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 154.5 | 171.7 | -52 | -175.7 | -167 | -134.3 | -7 | 112.4 | T667 L754 E756 | R665-T667 PolarHBondContact O-N 3.29Å; R665-L754 WeakPolarHBondContact CD-O 3.48Å; R665-E756 WeakPolarHBondContact CG-OE1 3.36Å; R665-E756 IonicContact CZ-OE1 2.88Å; R665-E756 IonicContact NE-OE1 2.7Å; R665-E756 PolarHBondContact NE-OE1 2.69Å; R665-E756 IonicContact NH2-OE1 2.67Å; R665-E756 PolarHBondContact NH2-OE1 2.62Å |
| 666 | F | 88.4 | Confident | 82.5 | Confident | 122 Ų | 122 | 74 Ų | 74 | 54% | 0.535 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 23.3 | -174.1 | -49.2 | -64.8 | 0 | 0 | 0 | 114.1 | Q668 T753 L754 | F666-Q668 PolarHBondContact O-N 2.85Å; F666-T753 WeakPolarHBondContact CA-O 3.45Å; F666-T753 PolarHBondContact N-O 2.75Å; F666-T753 PolarHBondContact N-OG1 3.29Å; F666-L754 HydrophobicContact CD1-CD2 4.05Å; F666-L754 HydrophobicContact CE1-CD2 3.66Å |
| 667 | T | 88.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | trans | -68.3 | 123.6 | 170.8 | -67.1 | 0 | 0 | 0 | 0 | 108 | I659 P664 R665 E752 T753 | I659-T667 HydrophobicContact CD1-CG2 4.29Å; P664-T667 WeakPolarHBondContact O-CB 3.44Å; P664-T667 PolarHBondContact O-OG1 2.85Å; R665-T667 PolarHBondContact O-N 3.29Å; T667-E752 WeakPolarHBondContact O-CA 3.28Å; T667-T753 PolarHBondContact N-OG1 3.31Å; T667-T753 PolarHBondContact O-N 2.96Å | ||
| 668 | Q | 86.5 | Confident | 84.4 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129 | -179.2 | -57.1 | -163 | -40.7 | 0 | 0 | 110 | F666 S670 E752 | F666-Q668 PolarHBondContact O-N 2.85Å; Q668-S670 PolarHBondContact O-N 3.07Å; Q668-E752 HydrophobicContact CG-CG 4.09Å; Q668-E752 PolarHBondContact NE2-OE1 3.08Å |
| 669 | L | 74.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 103 | 168.8 | -53.4 | -175.2 | 0 | 0 | 0 | 106.5 | F657 Q671 F743 I751 T753 L767 V787 | F657-L669 HydrophobicContact CB-CB 4.4Å; F657-L669 HydrophobicContact CB-CD1 4.3Å; F657-L669 HydrophobicContact CB-CD2 4.17Å; F657-L669 HydrophobicContact CD1-CB 3.85Å; F657-L669 HydrophobicContact CD2-CB 4.38Å; F657-L669 HydrophobicContact CD2-CD1 4.32Å; F657-L669 HydrophobicContact CE1-CB 4.18Å; F657-L669 HydrophobicContact CG-CB 3.96Å; F657-L669 HydrophobicContact CG-CD1 4.31Å; L669-Q671 VanDerWaalsContact C-N 3.28Å; L669-Q671 PolarHBondContact O-N 3.16Å; L669-F743 HydrophobicContact CD1-CD1 4.05Å; L669-F743 HydrophobicContact CD1-CE1 3.91Å; L669-I751 HydrophobicContact CB-CB 4.29Å; L669-I751 HydrophobicContact CD1-CG2 4.04Å; L669-I751 PolarHBondContact N-O 2.83Å; L669-T753 HydrophobicContact CD2-CG2 4.48Å; L669-L767 HydrophobicContact CD1-CD1 4.4Å; L669-V787 HydrophobicContact CD1-CG2 3.85Å |
| 670 | S | 57.6 | Low | 85 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 74% | 0.741 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 40.8 | -141.2 | 52 | 0 | 0 | 0 | 0 | 118.4 | Q668 | Q668-S670 PolarHBondContact O-N 3.07Å |
| 671 | Q | 68.8 | Low | 85.1 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 164.8 | 175.8 | -66.4 | -167 | 15 | 0 | 0 | 114.2 | N639 F657 L669 | N639-Q671 PolarHBondContact ND2-OE1 3.25Å; N639-Q671 PolarHBondContact OD1-OE1 3.49Å; F657-Q671 HydrophobicContact CE1-CG 4.43Å; L669-Q671 VanDerWaalsContact C-N 3.28Å; L669-Q671 PolarHBondContact O-N 3.16Å |
| 672 | R | 81.7 | Confident | 85.2 | Confident | 134 Ų | 134 | 77.3 Ų | 77.3 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.2 | 176 | -172.7 | -170.7 | -179.3 | -160.7 | -5.2 | 110.8 | N639 N748 G749 | N639-R672 PolarHBondContact ND2-O 2.84Å; R672-N748 WeakPolarHBondContact CG-O 3.41Å; R672-N748 PolarHBondContact NE-O 2.97Å; R672-G749 CarbonylContact C-O 3.47Å; R672-G749 WeakPolarHBondContact CA-O 3.13Å |
| 673 | L | 86.2 | Confident | 85.4 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | trans | -77.5 | 137.3 | 174 | -60.4 | 177.4 | 0 | 0 | 0 | 112.5 | N639 P640 F688 I745 G749 I769 | N639-L673 VanDerWaalsContact O-CA 3.32Å; N639-L673 WeakPolarHBondContact O-CA 3.17Å; P640-L673 VanDerWaalsContact CD-CD2 3.48Å; L673-F688 HydrophobicContact CB-CD1 4.15Å; L673-F688 HydrophobicContact CB-CE1 4.06Å; L673-F688 HydrophobicContact CB-CE2 4.48Å; L673-F688 HydrophobicContact CB-CG 4.42Å; L673-F688 HydrophobicContact CB-CZ 4.24Å; L673-F688 HydrophobicContact CD1-CD1 4.48Å; L673-I745 HydrophobicContact CD1-CD1 3.92Å; L673-I745 HydrophobicContact CD1-CG2 4.38Å; L673-G749 WeakPolarHBondContact CG-O 3.33Å; L673-G749 PolarHBondContact N-O 3.03Å; L673-I769 HydrophobicContact CD1-CD1 3.84Å; L673-I769 HydrophobicContact CD2-CD1 3.44Å; L673-I769 VanDerWaalsContact CD2-CD1 3.44Å; L673-I769 HydrophobicContact CG-CD1 4.3Å | ||
| 674 | E | 87.6 | Confident | 85.5 | Confident | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.8 | -179.7 | -59.6 | -170.4 | 163.1 | 0 | 0 | 111.1 | F637 T638 N639 | F637-E674 CarbonylContact C-O 3.59Å; F637-E674 VanDerWaalsContact CA-O 3.32Å; F637-E674 WeakPolarHBondContact CA-O 3.07Å; T638-E674 PolarHBondContact N-O 2.9Å; T638-E674 VanDerWaalsContact OG1-C 3.28Å; T638-E674 WeakPolarHBondContact OG1-CB 3.47Å; T638-E674 PolarHBondContact OG1-O 2.81Å; N639-E674 HydrophobicContact CB-CB 4.07Å; N639-E674 HydrophobicContact CB-CG 4.31Å; N639-E674 PolarHBondContact N-O 2.85Å; N639-E674 VanDerWaalsContact N-O 3.15Å; N639-E674 PolarHBondContact O-N 2.98Å |
| 675 | A | 89.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 160.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V636 T638 V686 F688 V771 | V636-A675 CarbonylContact O-C 3.58Å; V636-A675 WeakPolarHBondContact O-CA 3.21Å; V636-A675 WeakPolarHBondContact O-CB 3.22Å; T638-A675 PolarHBondContact OG1-N 2.88Å; A675-V686 HydrophobicContact CB-CB 4.49Å; A675-V686 HydrophobicContact CB-CG1 4.29Å; A675-V686 HydrophobicContact CB-CG2 4.46Å; A675-F688 HydrophobicContact CB-CE1 3.86Å; A675-F688 HydrophobicContact CB-CZ 3.89Å; A675-V771 HydrophobicContact CB-CG1 4.25Å; A675-V771 HydrophobicContact CB-CG2 3.88Å |
| 676 | K | 90.2 | Very high | 85.7 | Confident | 154 Ų | 154 | 70.5 Ų | 70.5 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 160.5 | 176.9 | -78.4 | -173 | 177.4 | -173 | 0 | 111.5 | P635 V636 T638 | P635-K676 CarbonylContact C-O 3.55Å; P635-K676 WeakPolarHBondContact CA-O 3.33Å; V636-K676 PolarHBondContact N-O 2.89Å; V636-K676 PolarHBondContact O-N 2.88Å; T638-K676 HydrophobicContact CG2-CB 4.07Å; T638-K676 HydrophobicContact CG2-CD 3.99Å; T638-K676 HydrophobicContact CG2-CG 3.79Å |
| 677 | D | 92.8 | Very high | 85.8 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -155.8 | 133.1 | -173.8 | -155.4 | -45.6 | 0 | 0 | 0 | 107.4 | P635 V686 | P635-D677 WeakPolarHBondContact CA-OD2 3.27Å; P635-D677 HydrophobicContact CB-CB 4.34Å; P635-D677 WeakPolarHBondContact CB-OD2 3.1Å; P635-D677 VanDerWaalsContact CD-OD2 3.3Å; P635-D677 WeakPolarHBondContact CD-OD2 3.49Å; D677-V686 HydrophobicContact CB-CG1 4.1Å | ||
| 678 | P | 91.1 | Very high | 86 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -92.9 | -19.8 | -173.8 | 36 | -35 | 0 | 0 | 0 | 115.2 | E597 N633 | E597-P678 HydrophobicContact CG-CB 4.03Å; E597-P678 HydrophobicContact CG-CG 4.47Å; N633-P678 HydrophobicContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CB-CG 3.43Å; N633-P678 VanDerWaalsContact CG-CG 3.48Å | ||
| 679 | D | 92.8 | Very high | 86.2 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -68.4 | 158 | -169.7 | -61.1 | 0.8 | 0 | 0 | 0 | 112.8 | N631 D632 N633 N683 G684 | N631-D679 VanDerWaalsContact CA-OD2 3.3Å; N631-D679 WeakPolarHBondContact CA-OD2 3.35Å; D632-D679 PolarHBondContact N-OD2 3.47Å; D632-D679 VanDerWaalsContact N-OD2 3.13Å; N633-D679 VanDerWaalsContact CB-OD1 3.22Å; N633-D679 WeakPolarHBondContact CB-OD1 3.23Å; N633-D679 PolarHBondContact N-OD2 3.24Å; N633-D679 VanDerWaalsContact N-OD2 3.14Å; N633-D679 PolarHBondContact ND2-OD1 3.09Å; D679-N683 HydrophobicContact CB-CB 3.44Å; D679-N683 VanDerWaalsContact CB-CB 3.44Å; D679-G684 VanDerWaalsContact O-CA 3.25Å; D679-G684 WeakPolarHBondContact O-CA 3.48Å; D679-G684 PolarHBondContact O-N 3.17Å; D679-G684 VanDerWaalsContact O-N 3.15Å |
| 680 | Q | 89 | Confident | 86.9 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 136.9 | -172.3 | -163.1 | 169.2 | -26 | 0 | 0 | 114.2 | D629 D682 N683 | D629-Q680 HydrophobicContact CB-CB 4.22Å; D629-Q680 VanDerWaalsContact CG-CB 3.48Å; D629-Q680 WeakPolarHBondContact OD1-CA 3.34Å; D629-Q680 WeakPolarHBondContact OD1-CB 3.27Å; D629-Q680 PolarHBondContact OD1-N 3.36Å; Q680-D682 PolarHBondContact O-N 3.03Å; Q680-N683 WeakPolarHBondContact O-CB 3.09Å; Q680-N683 PolarHBondContact O-N 2.56Å |
| 681 | G | 88.7 | Confident | 88.4 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -117.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 682 | D | 89.9 | Confident | 89.3 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -14.3 | 175 | -90.3 | -47.7 | 0 | 0 | 0 | 112.4 | Q680 R685 R774 G775 | Q680-D682 PolarHBondContact O-N 3.03Å; D682-R685 WeakPolarHBondContact O-CB 3.27Å; D682-R685 WeakPolarHBondContact OD1-CD 3.46Å; D682-R685 IonicContact OD1-CZ 3.22Å; D682-R685 IonicContact OD1-NE 3.39Å; D682-R685 IonicContact OD1-NH1 2.85Å; D682-R685 PolarHBondContact OD1-NH1 2.92Å; D682-R774 HydrophobicContact CB-CB 4.37Å; D682-R774 CarbonylContact O-C 3.53Å; D682-R774 WeakPolarHBondContact O-CA 3.33Å; D682-R774 WeakPolarHBondContact O-CB 3.49Å; D682-R774 PolarHBondContact O-N 2.88Å; D682-G775 PolarHBondContact O-N 3.3Å |
| 683 | N | 89.1 | Confident | 89.7 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.16 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -54 | 171.6 | -62.9 | -11 | 0 | 0 | 0 | 109.4 | D629 N631 D679 Q680 R685 D773 G775 | D629-N683 PolarHBondContact OD2-ND2 2.77Å; N631-N683 HydrophobicContact CB-CB 4.14Å; N631-N683 WeakPolarHBondContact OD1-CA 3.25Å; N631-N683 WeakPolarHBondContact OD1-CB 3.04Å; N631-N683 PolarHBondContact OD1-OD1 2.97Å; N631-N683 VanDerWaalsContact OD1-OD1 3.13Å; D679-N683 HydrophobicContact CB-CB 3.44Å; D679-N683 VanDerWaalsContact CB-CB 3.44Å; Q680-N683 WeakPolarHBondContact O-CB 3.09Å; Q680-N683 PolarHBondContact O-N 2.56Å; N683-R685 VanDerWaalsContact C-N 3.26Å; N683-R685 PolarHBondContact O-N 2.75Å; N683-D773 WeakPolarHBondContact O-CB 3.28Å; N683-G775 WeakPolarHBondContact OD1-CA 3.22Å |
| 684 | G | 87.1 | Confident | 89.8 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 35.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | D679 | D679-G684 VanDerWaalsContact O-CA 3.25Å; D679-G684 WeakPolarHBondContact O-CA 3.48Å; D679-G684 PolarHBondContact O-N 3.17Å; D679-G684 VanDerWaalsContact O-N 3.15Å |
| 685 | R | 90.2 | Very high | 89.9 | Confident | 118 Ų | 118 | 56.1 Ų | 56.1 | 45% | 0.445 | 31% | 0.31 | S | S | . | . | trans | -130.8 | 94.2 | -160 | -160.6 | 173.2 | -178 | -167.6 | 10.2 | 118 | D682 N683 D773 R774 | D682-R685 WeakPolarHBondContact O-CB 3.27Å; D682-R685 WeakPolarHBondContact OD1-CD 3.46Å; D682-R685 IonicContact OD1-CZ 3.22Å; D682-R685 IonicContact OD1-NE 3.39Å; D682-R685 IonicContact OD1-NH1 2.85Å; D682-R685 PolarHBondContact OD1-NH1 2.92Å; N683-R685 VanDerWaalsContact C-N 3.26Å; N683-R685 PolarHBondContact O-N 2.75Å; R685-D773 CarbonylContact O-C 3.58Å; R685-D773 VanDerWaalsContact O-C 3.26Å; R685-D773 WeakPolarHBondContact O-CA 2.98Å; R685-R774 HydrophobicContact CB-CB 4.38Å; R685-R774 HydrophobicContact CB-CG 4.47Å; R685-R774 WeakPolarHBondContact O-CG 3.1Å; R685-R774 PolarHBondContact O-N 2.96Å | ||
| 686 | V | 90.1 | Very high | 89.7 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | trans | -77.8 | 155.6 | -163.6 | -49.3 | 0 | 0 | 0 | 0 | 119.8 | P635 A675 D677 V771 R772 | P635-V686 HydrophobicContact CB-CG1 3.7Å; A675-V686 HydrophobicContact CB-CB 4.49Å; A675-V686 HydrophobicContact CB-CG1 4.29Å; A675-V686 HydrophobicContact CB-CG2 4.46Å; D677-V686 HydrophobicContact CB-CG1 4.1Å; V686-V771 HydrophobicContact CB-CG2 3.86Å; V686-V771 HydrophobicContact CG1-CG2 4.46Å; V686-R772 CarbonylContact C-O 3.59Å; V686-R772 VanDerWaalsContact CA-O 3.25Å; V686-R772 WeakPolarHBondContact CA-O 3.3Å | ||
| 687 | Q | 90.6 | Very high | 89.3 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 41% | 0.407 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 133.3 | 172.2 | -179 | -177.6 | 15 | 0 | 0 | 113.4 | V771 R772 | Q687-V771 CarbonylContact O-C 3.53Å; Q687-V771 VanDerWaalsContact O-CA 3.26Å; Q687-V771 WeakPolarHBondContact O-CA 3.48Å; Q687-V771 WeakPolarHBondContact O-CG2 3.3Å; Q687-R772 HydrophobicContact CB-CG 4.27Å; Q687-R772 PolarHBondContact N-O 3.1Å; Q687-R772 PolarHBondContact O-N 3.49Å; Q687-R772 VanDerWaalsContact OE1-NE 3.11Å |
| 688 | F | 91.5 | Very high | 87.9 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 160.6 | -178.6 | -58.6 | -71.1 | 0 | 0 | 0 | 116.6 | F637 L673 A675 G770 V771 | F637-F688 HydrophobicContact CD1-CD1 4.41Å; F637-F688 AromaticContact CD1-CE1 3.92Å; F637-F688 HydrophobicContact CD1-CE1 3.92Å; F637-F688 AromaticContact CE1-CD1 3.71Å; F637-F688 HydrophobicContact CE1-CD1 3.71Å; F637-F688 AromaticContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CE1-CE1 3.68Å; F637-F688 HydrophobicContact CZ-CD1 4.33Å; L673-F688 HydrophobicContact CB-CD1 4.15Å; L673-F688 HydrophobicContact CB-CE1 4.06Å; L673-F688 HydrophobicContact CB-CE2 4.48Å; L673-F688 HydrophobicContact CB-CG 4.42Å; L673-F688 HydrophobicContact CB-CZ 4.24Å; L673-F688 HydrophobicContact CD1-CD1 4.48Å; A675-F688 HydrophobicContact CB-CE1 3.86Å; A675-F688 HydrophobicContact CB-CZ 3.89Å; F688-G770 CarbonylContact C-O 3.59Å; F688-G770 WeakPolarHBondContact CA-O 3.25Å; F688-V771 HydrophobicContact CD1-CB 3.8Å; F688-V771 HydrophobicContact CD1-CG2 3.73Å; F688-V771 HydrophobicContact CE1-CB 3.95Å; F688-V771 HydrophobicContact CE1-CG2 3.67Å; F688-V771 HydrophobicContact CG-CG2 4.48Å; F688-V771 HydrophobicContact CZ-CG2 4.38Å |
| 689 | S | 90.4 | Very high | 86 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 154.6 | 178 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | I769 G770 | S689-I769 WeakPolarHBondContact O-CA 3.2Å; S689-G770 PolarHBondContact N-O 2.64Å; S689-G770 PolarHBondContact O-N 2.83Å; S689-G770 PolarHBondContact OG-O 3.13Å |
| 690 | L | 90.1 | Very high | 83.6 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126 | 167.1 | -177.5 | 60.9 | 0 | 0 | 0 | 108.5 | I745 L767 I769 | L690-I745 HydrophobicContact CB-CB 4.42Å; L690-I745 HydrophobicContact CB-CD1 3.66Å; L690-I745 HydrophobicContact CB-CG1 3.9Å; L690-I745 HydrophobicContact CD1-CD1 4.16Å; L690-I745 HydrophobicContact CD1-CG1 4.46Å; L690-I745 HydrophobicContact CG-CD1 4.44Å; L690-L767 HydrophobicContact CD1-CB 4.41Å; L690-I769 HydrophobicContact CD1-CG2 3.93Å |
| 691 | L | 89.1 | Confident | 81.1 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -35.2 | -169 | -60.2 | 177.6 | 0 | 0 | 0 | 113.8 | K768 T782 | L691-K768 HydrophobicContact CB-CB 4.28Å; L691-K768 HydrophobicContact CB-CD 4.15Å; L691-K768 HydrophobicContact CB-CG 4.09Å; L691-K768 WeakPolarHBondContact CB-O 3.47Å; L691-K768 HydrophobicContact CD1-CD 4.2Å; L691-K768 HydrophobicContact CD1-CG 4.22Å; L691-K768 PolarHBondContact N-O 3.17Å; L691-T782 HydrophobicContact CD1-CG2 3.59Å |
| 692 | A | 87.2 | Confident | 78.2 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 156.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y694 K768 | A692-Y694 HydrophobicContact CB-CD2 4.5Å; A692-Y694 HydrophobicContact CB-CE1 4.21Å; A692-Y694 HydrophobicContact CB-CE2 3.62Å; A692-Y694 VanDerWaalsContact CB-CZ 3.44Å; A692-Y694 VanDerWaalsContact CB-OH 3.31Å; A692-Y694 WeakPolarHBondContact CB-OH 3.47Å; A692-K768 HydrophobicContact CB-CB 4.21Å; A692-K768 PolarHBondContact N-O 2.94Å; A692-K768 PolarHBondContact O-N 2.97Å |
| 693 | T | 90.8 | Very high | 75.3 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 8% | 0.08 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.4 | 166 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | V738 F743 Y765 L767 | T693-V738 HydrophobicContact CG2-CB 4.1Å; T693-V738 HydrophobicContact CG2-CG2 4.06Å; T693-V738 PolarHBondContact O-N 2.82Å; T693-F743 HydrophobicContact CG2-CD2 3.85Å; T693-F743 HydrophobicContact CG2-CE2 3.99Å; T693-Y765 HydrophobicContact CG2-CD1 4.34Å; T693-L767 HydrophobicContact CG2-CD2 4Å |
| 694 | Y | 89.2 | Confident | 72.5 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 13% | 0.129 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.3 | 177.2 | -50 | -82.9 | 0 | 0 | 0 | 110.5 | A692 R735 H736 V737 Y765 I766 K768 | A692-Y694 HydrophobicContact CB-CD2 4.5Å; A692-Y694 HydrophobicContact CB-CE1 4.21Å; A692-Y694 HydrophobicContact CB-CE2 3.62Å; A692-Y694 VanDerWaalsContact CB-CZ 3.44Å; A692-Y694 VanDerWaalsContact CB-OH 3.31Å; A692-Y694 WeakPolarHBondContact CB-OH 3.47Å; Y694-R735 HydrophobicContact CD1-CG 4.41Å; Y694-R735 VanDerWaalsContact CD2-NH2 3.3Å; Y694-R735 VanDerWaalsContact CE1-NH2 3.33Å; Y694-R735 HydrophobicContact CG-CG 4.43Å; Y694-H736 CarbonylContact C-O 3.33Å; Y694-H736 VanDerWaalsContact CA-O 3.23Å; Y694-H736 WeakPolarHBondContact CA-O 3.42Å; Y694-V737 HydrophobicContact CD1-CG2 4.08Å; Y694-V737 HydrophobicContact CE1-CG2 4.01Å; Y694-Y765 CarbonylContact O-C 3.57Å; Y694-Y765 VanDerWaalsContact O-CA 3.22Å; Y694-Y765 WeakPolarHBondContact O-CA 3.33Å; Y694-I766 HydrophobicContact CD2-CB 4.37Å; Y694-I766 HydrophobicContact CD2-CG2 4.32Å; Y694-I766 WeakPolarHBondContact CD2-O 3.24Å; Y694-I766 PolarHBondContact N-O 3Å; Y694-I766 PolarHBondContact O-N 2.79Å; Y694-K768 HydrophobicContact CE2-CB 4.17Å |
| 695 | A | 89.4 | Confident | 69.7 | Low | 9 Ų | 9 | 90.2 Ų | 90.2 | 7% | 0.074 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R735 H736 V738 V762 Y765 | A695-R735 CarbonylContact O-C 3.49Å; A695-R735 WeakPolarHBondContact O-CA 3.25Å; A695-H736 PolarHBondContact N-O 3.38Å; A695-H736 PolarHBondContact O-N 3.35Å; A695-V738 HydrophobicContact CB-CG2 3.79Å; A695-V762 HydrophobicContact CB-CG1 3.7Å; A695-V762 HydrophobicContact CB-CG2 4.22Å; A695-Y765 HydrophobicContact CB-CD1 4.07Å; A695-Y765 HydrophobicContact CB-CE1 3.91Å |
| 696 | L | 85.3 | Confident | 66.7 | Low | 12 Ų | 12 | 92.2 Ų | 92.2 | 6% | 0.063 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.2 | 174.9 | -71.2 | 156.2 | 0 | 0 | 0 | 108.8 | M733 T734 R735 P763 V764 I766 | L696-M733 HydrophobicContact CB-CB 4.41Å; L696-M733 HydrophobicContact CB-SD 3.9Å; L696-M733 HydrophobicContact CD2-CB 4.41Å; L696-T734 WeakPolarHBondContact CA-O 3.36Å; L696-R735 HydrophobicContact CD2-CB 3.74Å; L696-R735 HydrophobicContact CD2-CG 4.15Å; L696-P763 VanDerWaalsContact O-CD 3.27Å; L696-P763 WeakPolarHBondContact O-CD 3.42Å; L696-V764 HydrophobicContact CB-CB 4.13Å; L696-V764 HydrophobicContact CD1-CB 3.84Å; L696-V764 HydrophobicContact CD1-CG1 3.82Å; L696-V764 PolarHBondContact N-O 2.99Å; L696-I766 HydrophobicContact CD1-CD1 3.76Å; L696-I766 HydrophobicContact CD1-CG1 4Å |
| 697 | T | 80.2 | Confident | 63.7 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 15% | 0.153 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.4 | -171.9 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | S699 M733 T734 H736 T761 V762 | T697-S699 PolarHBondContact O-N 3.14Å; T697-M733 CarbonylContact O-C 3.56Å; T697-M733 VanDerWaalsContact O-CA 3.26Å; T697-M733 WeakPolarHBondContact O-CA 3.2Å; T697-T734 PolarHBondContact N-O 3.07Å; T697-T734 PolarHBondContact O-N 3.23Å; T697-T734 PolarHBondContact O-OG1 3.15Å; T697-T734 VanDerWaalsContact O-OG1 3.11Å; T697-T734 PolarHBondContact OG1-OG1 2.83Å; T697-H736 PolarHBondContact OG1-CD2 2.79Å; T697-H736 PolarHBondContact OG1-NE2 2.83Å; T697-T761 WeakPolarHBondContact CG2-O 3.48Å; T697-V762 HydrophobicContact CG2-CG1 4.5Å; T697-V762 HydrophobicContact CG2-CG2 3.95Å |
| 698 | K | 65 | Low | 60.8 | Low | 125 Ų | 125 | 94.6 Ų | 94.6 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.9 | 179.4 | -69.9 | 173.6 | -178.2 | 165.4 | 0 | 111 | S700 | K698-S700 PolarHBondContact O-N 3.41Å; K698-S700 VanDerWaalsContact O-N 3.13Å |
| 699 | S | 51.4 | Low | 57.8 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | trans | -72.4 | 100 | -172.4 | -174.4 | 0 | 0 | 0 | 0 | 113.5 | T697 R701 G732 | T697-S699 PolarHBondContact O-N 3.14Å; S699-R701 PolarHBondContact O-N 3.13Å; S699-G732 VanDerWaalsContact CB-O 3.26Å; S699-G732 WeakPolarHBondContact CB-O 3.09Å; S699-G732 PolarHBondContact N-O 3.34Å | ||
| 700 | S | 40.9 | Very low | 54.9 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 83% | 0.832 | 54% | 0.538 | S | S | * | . | trans | -89.9 | 93.6 | -179.1 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | K698 | K698-S700 PolarHBondContact O-N 3.41Å; K698-S700 VanDerWaalsContact O-N 3.13Å | ||
| 701 | R | 37.4 | Very low | 52 | Low | 245 Ų | 245 | 105.5 Ų | 105.5 | 93% | 0.925 | 57% | 0.566 | S | S | * | * | trans | -144.5 | 80 | 164.3 | -78.7 | -161.2 | 174.2 | -165.5 | -0.6 | 112.9 | S699 | S699-R701 PolarHBondContact O-N 3.13Š| ||
| 702 | R | 28.2 | Very low | 49 | Very low | 215 Ų | 215 | 110.3 Ų | 110.3 | 81% | 0.811 | 59% | 0.589 | S | S | * | * | trans | -98.4 | 75.6 | 172.4 | -161.5 | -176.9 | -153.5 | 169.6 | 10.5 | 111 | E827 | R702-E827 IonicContact NH2-OE2 2.91Å; R702-E827 PolarHBondContact NH2-OE2 3.39Å | ||
| 703 | N | 29 | Very low | 46.2 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 84% | 0.84 | 62% | 0.623 | S | S | * | * | trans | -165.8 | 149.5 | 163.4 | -116 | -35.2 | 0 | 0 | 0 | 115.3 | ||||
| 704 | Q | 30.2 | Very low | 43.1 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | 78.8 | 98.1 | 168.8 | -58.7 | -165.1 | -14.9 | 0 | 0 | 121.3 | ||||
| 705 | F | 27.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 127 Ų | 127 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | 74.5 | 96 | 126.9 | -75.9 | -80.5 | 0 | 0 | 0 | 123.7 | |||||
| 706 | I | 28 | Very low | 37.1 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | 48.9 | 121.2 | 120.9 | -57.2 | -178.4 | 0 | 0 | 0 | 119.6 | |||||
| 707 | G | 27.3 | Very low | 34.4 | Very low | 62 Ų | 62 | 144.3 Ų | 144.3 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 159.4 | 103.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 708 | S | 29.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 32.7 | 133.5 | 155.8 | 57.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 709 | S | 29 | Very low | 30 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | cis | -159.1 | 147 | 22.8 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 710 | P | 29.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 157.7 Ų | 157.7 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -90 | 122.7 | 178.9 | 33.8 | -31.7 | 0 | 0 | 0 | 113.2 | ||||
| 711 | N | 29.6 | Very low | 28.1 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -168.7 | 145.2 | 153.4 | -102.3 | -29 | 0 | 0 | 0 | 109.7 | ||||
| 712 | M | 25.9 | Very low | 27.6 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 100.4 | 59.6 | -172.6 | -62.3 | -70 | -172.4 | 0 | 0 | 116.2 | ||||
| 713 | L | 27.2 | Very low | 27.5 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -146.4 | 85.3 | 159 | -102.1 | -179.2 | 0 | 0 | 0 | 111.7 | ||||
| 714 | T | 26.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -159 | 104.8 | 153.2 | 29.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 715 | S | 26.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 176.6 | 143.3 | 135.6 | 41.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 716 | F | 26.6 | Very low | 27.2 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | 56 | 86 | 168.5 | -61.3 | -66.6 | 0 | 0 | 0 | 119.1 | ||||
| 717 | E | 28.9 | Very low | 27.2 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | -49.3 | 128.9 | 126.5 | -59 | 165.1 | 116.1 | 0 | 0 | 110.3 | |||||
| 718 | H | 27.3 | Very low | 27.2 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -150.7 | 108.9 | 133.8 | -150.7 | -51.8 | 0 | 0 | 0 | 108.6 | ||||
| 719 | F | 24.2 | Very low | 27.3 | Very low | 184 Ų | 184 | 144 Ų | 144 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -86.4 | 175.4 | 172.5 | -154 | -108.4 | 0 | 0 | 0 | 109.6 | ||||
| 720 | I | 27.7 | Very low | 27.8 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | 80.1 | 140.6 | 174 | -48.5 | 174.9 | 0 | 0 | 0 | 115 | ||||
| 721 | D | 25 | Very low | 28.3 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 60.2 | 76.6 | 173.2 | -75.1 | 6.5 | 0 | 0 | 0 | 119.4 | ||||
| 722 | R | 26.5 | Very low | 29.1 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | -178 | 150 | 108 | -94.9 | 154.7 | -171.6 | -153.1 | 0.3 | 113.3 | |||||
| 723 | P | 26.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -83 | 133.4 | 170.6 | 33.3 | -31.9 | 0 | 0 | 0 | 111.2 | ||||
| 724 | G | 24.3 | Very low | 32.5 | Very low | 52 Ų | 52 | 123.1 Ų | 123.1 | 54% | 0.536 | 68% | 0.679 | S | S | . | * | trans | 120.3 | 91.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 725 | S | 26.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | trans | -154.8 | 107.4 | 149.8 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 726 | D | 28.7 | Very low | 37.3 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | trans | 51.5 | 104.7 | 146.9 | -50.1 | -39.8 | 0 | 0 | 0 | 120.5 | Q649 N728 | Q649-D726 PolarHBondContact NE2-OD1 2.72Å; D726-N728 PolarHBondContact O-N 3.43Å | ||
| 727 | L | 28 | Very low | 40 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | 77.2 | 152.3 | -71.5 | 90.7 | 0 | 0 | 0 | 110.4 | N652 | N652-L727 HydrophobicContact CB-CD1 3.89Š|
| 728 | N | 28.5 | Very low | 42.6 | Very low | 158 Ų | 158 | 110.9 Ų | 110.9 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | 16.3 | 165.2 | -98 | -36.4 | 0 | 0 | 0 | 114.5 | D726 | D726-N728 PolarHBondContact O-N 3.43Š|
| 729 | S | 30.2 | Very low | 45.2 | Very low | 96 Ų | 96 | 109.8 Ų | 109.8 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | trans | -148.1 | 106.3 | 146.6 | 64 | 0 | 0 | 0 | 0 | 112.2 | A731 | S729-A731 PolarHBondContact O-N 3.39Š| ||
| 730 | E | 41 | Very low | 47.9 | Very low | 73 Ų | 73 | 108 Ų | 108 | 34% | 0.341 | 60% | 0.601 | S | S | . | * | trans | -73.5 | 79.1 | 149.6 | -79 | 176.6 | 138 | 0 | 0 | 106.4 | G732 M733 R786 | E730-G732 VanDerWaalsContact C-N 3.34Å; E730-G732 PolarHBondContact O-N 3.13Å; E730-M733 HydrophobicContact CB-CB 4.14Å; E730-M733 HydrophobicContact CB-CE 4.18Å; E730-M733 HydrophobicContact CB-CG 4.1Å; E730-M733 HydrophobicContact CB-SD 4.29Å; E730-M733 HydrophobicContact CG-CE 4.15Å; E730-M733 PolarHBondContact O-N 2.73Å; E730-R786 IonicContact OE1-CZ 3.07Å; E730-R786 IonicContact OE1-NH1 3.34Å; E730-R786 PolarHBondContact OE1-NH1 2.72Å; E730-R786 IonicContact OE1-NH2 3.41Å; E730-R786 PolarHBondContact OE1-NH2 3.48Å; E730-R786 IonicContact OE2-NH1 3.05Å; E730-R786 PolarHBondContact OE2-NH1 2.94Å; E730-R786 VanDerWaalsContact OE2-NH1 3.13Å | ||
| 731 | A | 39.5 | Very low | 50.7 | Low | 95 Ų | 95 | 106 Ų | 106 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 85.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S729 | S729-A731 PolarHBondContact O-N 3.39Š|
| 732 | G | 46.4 | Very low | 53.8 | Low | 45 Ų | 45 | 99.8 Ų | 99.8 | 46% | 0.464 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 132 | -6.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S699 E730 | S699-G732 VanDerWaalsContact CB-O 3.26Å; S699-G732 WeakPolarHBondContact CB-O 3.09Å; S699-G732 PolarHBondContact N-O 3.34Å; E730-G732 VanDerWaalsContact C-N 3.34Å; E730-G732 PolarHBondContact O-N 3.13Å |
| 733 | M | 55.1 | Low | 57 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 28% | 0.276 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126.6 | 177.1 | -64.8 | -161.4 | -146.5 | 0 | 0 | 113.2 | L696 T697 E730 P763 V764 | L696-M733 HydrophobicContact CB-CB 4.41Å; L696-M733 HydrophobicContact CB-SD 3.9Å; L696-M733 HydrophobicContact CD2-CB 4.41Å; T697-M733 CarbonylContact O-C 3.56Å; T697-M733 VanDerWaalsContact O-CA 3.26Å; T697-M733 WeakPolarHBondContact O-CA 3.2Å; E730-M733 HydrophobicContact CB-CB 4.14Å; E730-M733 HydrophobicContact CB-CE 4.18Å; E730-M733 HydrophobicContact CB-CG 4.1Å; E730-M733 HydrophobicContact CB-SD 4.29Å; E730-M733 HydrophobicContact CG-CE 4.15Å; E730-M733 PolarHBondContact O-N 2.73Å; M733-P763 HydrophobicContact CE-CG 4.01Å; M733-P763 HydrophobicContact SD-CG 3.87Å; M733-V764 HydrophobicContact CE-CG2 4.49Å; M733-V764 HydrophobicContact SD-CG2 4.49Å |
| 734 | T | 68.7 | Low | 60 | Low | 43 Ų | 43 | 87.7 Ų | 87.7 | 26% | 0.264 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132 | 167.8 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | L696 T697 H736 | L696-T734 WeakPolarHBondContact CA-O 3.36Å; T697-T734 PolarHBondContact N-O 3.07Å; T697-T734 PolarHBondContact O-N 3.23Å; T697-T734 PolarHBondContact O-OG1 3.15Å; T697-T734 VanDerWaalsContact O-OG1 3.11Å; T697-T734 PolarHBondContact OG1-OG1 2.83Å; T734-H736 WeakPolarHBondContact CB-NE2 3.18Å; T734-H736 PolarHBondContact O-CD2 3.18Å; T734-H736 PolarHBondContact OG1-NE2 3.11Å |
| 735 | R | 75 | Confident | 63.1 | Low | 130 Ų | 130 | 87 Ų | 87 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.3 | 177.6 | -177.7 | 174.2 | 171.1 | -112.6 | 14.2 | 110.8 | Y694 A695 L696 | Y694-R735 HydrophobicContact CD1-CG 4.41Å; Y694-R735 VanDerWaalsContact CD2-NH2 3.3Å; Y694-R735 VanDerWaalsContact CE1-NH2 3.33Å; Y694-R735 HydrophobicContact CG-CG 4.43Å; A695-R735 CarbonylContact O-C 3.49Å; A695-R735 WeakPolarHBondContact O-CA 3.25Å; L696-R735 HydrophobicContact CD2-CB 3.74Å; L696-R735 HydrophobicContact CD2-CG 4.15Å |
| 736 | H | 79.2 | Confident | 66 | Low | 116 Ų | 116 | 84 Ų | 84 | 54% | 0.537 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 146.6 | 177.1 | -60.5 | -80 | 0 | 0 | 0 | 110.6 | Y694 A695 T697 T734 | Y694-H736 CarbonylContact C-O 3.33Å; Y694-H736 VanDerWaalsContact CA-O 3.23Å; Y694-H736 WeakPolarHBondContact CA-O 3.42Å; A695-H736 PolarHBondContact N-O 3.38Å; A695-H736 PolarHBondContact O-N 3.35Å; T697-H736 PolarHBondContact OG1-CD2 2.79Å; T697-H736 PolarHBondContact OG1-NE2 2.83Å; T734-H736 WeakPolarHBondContact CB-NE2 3.18Å; T734-H736 PolarHBondContact O-CD2 3.18Å; T734-H736 PolarHBondContact OG1-NE2 3.11Å |
| 737 | V | 82.5 | Confident | 68.5 | Low | 96 Ų | 96 | 85 Ų | 85 | 58% | 0.582 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.7 | 170.2 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | Y694 | Y694-V737 HydrophobicContact CD1-CG2 4.08Å; Y694-V737 HydrophobicContact CE1-CG2 4.01Å |
| 738 | V | 84.9 | Confident | 71 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | trans | -102.8 | 107.5 | 175.5 | -168.1 | 0 | 0 | 0 | 0 | 109.4 | T693 A695 Q740 I742 Y765 | T693-V738 HydrophobicContact CG2-CB 4.1Å; T693-V738 HydrophobicContact CG2-CG2 4.06Å; T693-V738 PolarHBondContact O-N 2.82Å; A695-V738 HydrophobicContact CB-CG2 3.79Å; V738-Q740 VanDerWaalsContact C-N 3.28Å; V738-Q740 HydrophobicContact CG1-CB 4.48Å; V738-Q740 WeakPolarHBondContact CG1-O 3.21Å; V738-Q740 PolarHBondContact O-N 2.79Å; V738-I742 HydrophobicContact CG1-CD1 3.69Å; V738-I742 HydrophobicContact CG1-CG1 3.99Å; V738-I742 HydrophobicContact CG2-CD1 4.5Å; V738-Y765 HydrophobicContact CG2-CE1 4.46Å | ||
| 739 | D | 80.2 | Confident | 73.5 | Confident | 157 Ų | 157 | 76.9 Ų | 76.9 | 84% | 0.84 | 44% | 0.435 | S | S | * | . | trans | -73 | -20.8 | 178.5 | -62.2 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 740 | Q | 81.9 | Confident | 76.2 | Confident | 147 Ų | 147 | 73.4 Ų | 73.4 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -88 | 139.8 | 176 | -63.8 | -170 | 9.3 | 0 | 0 | 111.4 | V738 I742 | V738-Q740 VanDerWaalsContact C-N 3.28Å; V738-Q740 HydrophobicContact CG1-CB 4.48Å; V738-Q740 WeakPolarHBondContact CG1-O 3.21Å; V738-Q740 PolarHBondContact O-N 2.79Å; Q740-I742 PolarHBondContact O-N 3.38Å |
| 741 | P | 85.9 | Confident | 78.5 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | trans | -72.6 | 100.1 | 178.9 | 30 | -34.4 | 0 | 0 | 0 | 110.7 | L754 | P741-L754 HydrophobicContact CB-CD1 3.92Å; P741-L754 WeakPolarHBondContact O-CB 3.04Å; P741-L754 WeakPolarHBondContact O-CD1 3.44Å | ||
| 742 | I | 91 | Very high | 80.9 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | trans | -84.4 | -26.9 | 170.7 | -63.4 | -175 | 0 | 0 | 0 | 111.4 | V738 Q740 T753 L754 V755 L757 Y765 | V738-I742 HydrophobicContact CG1-CD1 3.69Å; V738-I742 HydrophobicContact CG1-CG1 3.99Å; V738-I742 HydrophobicContact CG2-CD1 4.5Å; Q740-I742 PolarHBondContact O-N 3.38Å; I742-T753 CarbonylContact O-C 3.59Å; I742-T753 WeakPolarHBondContact O-CA 3.42Å; I742-L754 WeakPolarHBondContact O-CB 3.03Å; I742-L754 PolarHBondContact O-N 2.72Å; I742-V755 HydrophobicContact CB-CG2 4.19Å; I742-V755 HydrophobicContact CD1-CG2 4.29Å; I742-V755 HydrophobicContact CG1-CG2 3.85Å; I742-V755 HydrophobicContact CG2-CG2 3.76Å; I742-L757 HydrophobicContact CG2-CD2 4.26Å; I742-Y765 HydrophobicContact CD1-CD1 4.26Å; I742-Y765 HydrophobicContact CD1-CE1 3.47Å; I742-Y765 VanDerWaalsContact CD1-CE1 3.47Å | ||
| 743 | F | 92.4 | Very high | 83.1 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.2 | -177.5 | -53.4 | -88.7 | 0 | 0 | 0 | 112.1 | L669 T693 I751 E752 T753 Y765 L767 V787 | L669-F743 HydrophobicContact CD1-CD1 4.05Å; L669-F743 HydrophobicContact CD1-CE1 3.91Å; T693-F743 HydrophobicContact CG2-CD2 3.85Å; T693-F743 HydrophobicContact CG2-CE2 3.99Å; F743-I751 HydrophobicContact CB-CG2 4.47Å; F743-E752 VanDerWaalsContact CA-O 3.28Å; F743-E752 WeakPolarHBondContact CA-O 3.42Å; F743-T753 HydrophobicContact CD1-CG2 4.29Å; F743-T753 HydrophobicContact CE1-CG2 3.97Å; F743-Y765 HydrophobicContact CE2-CD1 4.34Å; F743-Y765 HydrophobicContact CE2-CG 4.19Å; F743-Y765 HydrophobicContact CZ-CG 4.38Å; F743-L767 HydrophobicContact CB-CD1 4.34Å; F743-L767 HydrophobicContact CB-CD2 4.37Å; F743-L767 HydrophobicContact CD1-CD1 4.23Å; F743-L767 HydrophobicContact CD1-CD2 4.46Å; F743-L767 HydrophobicContact CD2-CD1 4.35Å; F743-L767 HydrophobicContact CD2-CD2 3.23Å; F743-L767 HydrophobicContact CD2-CG 4.42Å; F743-L767 HydrophobicContact CE2-CD2 3.45Å; F743-L767 VanDerWaalsContact CE2-CD2 3.45Å; F743-L767 HydrophobicContact CG-CD1 4.06Å; F743-L767 HydrophobicContact CG-CD2 3.79Å; F743-L767 HydrophobicContact CZ-CD2 4.17Å; F743-V787 HydrophobicContact CE1-CG2 4.33Å; F743-V787 HydrophobicContact CZ-CB 4.49Å; F743-V787 HydrophobicContact CZ-CG1 4.36Å; F743-V787 HydrophobicContact CZ-CG2 4.21Å |
| 744 | R | 90.3 | Very high | 84.8 | Confident | 112 Ų | 112 | 63.5 Ų | 63.5 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 161 | 171.9 | 68 | 178 | -175 | -170 | 0.3 | 112.6 | I751 E752 L754 | R744-I751 WeakPolarHBondContact O-CA 3.25Å; R744-E752 HydrophobicContact CG-CB 4.34Å; R744-E752 IonicContact CZ-OE2 3.18Å; R744-E752 PolarHBondContact N-O 3.46Å; R744-E752 IonicContact NE-OE2 2.78Å; R744-E752 PolarHBondContact NE-OE2 2.92Å; R744-E752 IonicContact NH2-OE2 3.51Å; R744-E752 PolarHBondContact NH2-OE2 2.93Å; R744-E752 PolarHBondContact O-N 2.62Å; R744-L754 HydrophobicContact CB-CD1 4.48Å |
| 745 | I | 90.3 | Very high | 85.8 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.195 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.6 | 168.2 | -64.8 | 180 | 0 | 0 | 0 | 109.7 | L673 L690 V750 I751 I769 | L673-I745 HydrophobicContact CD1-CD1 3.92Å; L673-I745 HydrophobicContact CD1-CG2 4.38Å; L690-I745 HydrophobicContact CB-CB 4.42Å; L690-I745 HydrophobicContact CB-CD1 3.66Å; L690-I745 HydrophobicContact CB-CG1 3.9Å; L690-I745 HydrophobicContact CD1-CD1 4.16Å; L690-I745 HydrophobicContact CD1-CG1 4.46Å; L690-I745 HydrophobicContact CG-CD1 4.44Å; I745-V750 WeakPolarHBondContact CA-O 3.41Å; I745-I751 HydrophobicContact CG1-CG1 4.26Å; I745-I769 HydrophobicContact CD1-CB 4.25Å; I745-I769 HydrophobicContact CD1-CG2 3.69Å |
| 746 | T | 86 | Confident | 86.4 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | trans | -86.9 | 164 | 175.8 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | N748 G749 V750 | T746-N748 VanDerWaalsContact CB-OD1 3.28Å; T746-N748 WeakPolarHBondContact CB-OD1 3.3Å; T746-N748 PolarHBondContact O-N 2.79Å; T746-N748 PolarHBondContact OG1-OD1 3.03Å; T746-G749 WeakPolarHBondContact O-CA 3.21Å; T746-G749 PolarHBondContact O-N 3.42Å; T746-G749 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact N-O 2.88Å; T746-V750 WeakPolarHBondContact OG1-CB 3.24Å; T746-V750 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact OG1-O 2.77Å | ||
| 747 | S | 81.2 | Confident | 87 | Confident | 136 Ų | 136 | 57 Ų | 57 | 95% | 0.951 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 748 | N | 80.7 | Confident | 87.3 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6 | 169.7 | 63.3 | -31.6 | 0 | 0 | 0 | 113.6 | R672 T746 | R672-N748 WeakPolarHBondContact CG-O 3.41Å; R672-N748 PolarHBondContact NE-O 2.97Å; T746-N748 VanDerWaalsContact CB-OD1 3.28Å; T746-N748 WeakPolarHBondContact CB-OD1 3.3Å; T746-N748 PolarHBondContact O-N 2.79Å; T746-N748 PolarHBondContact OG1-OD1 3.03Å |
| 749 | G | 80.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | 94.4 | 35.9 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | R672 L673 T746 | R672-G749 CarbonylContact C-O 3.47Å; R672-G749 WeakPolarHBondContact CA-O 3.13Å; L673-G749 WeakPolarHBondContact CG-O 3.33Å; L673-G749 PolarHBondContact N-O 3.03Å; T746-G749 WeakPolarHBondContact O-CA 3.21Å; T746-G749 PolarHBondContact O-N 3.42Å; T746-G749 PolarHBondContact OG1-N 3.41Å | ||
| 750 | V | 87.5 | Confident | 87.8 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 149.7 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | I745 T746 | I745-V750 WeakPolarHBondContact CA-O 3.41Å; T746-V750 PolarHBondContact N-O 2.88Å; T746-V750 WeakPolarHBondContact OG1-CB 3.24Å; T746-V750 PolarHBondContact OG1-N 3.41Å; T746-V750 PolarHBondContact OG1-O 2.77Å |
| 751 | I | 88.9 | Confident | 88 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.1 | -176.1 | -45.5 | -176.6 | 0 | 0 | 0 | 111.3 | L669 F743 R744 I745 L767 L785 | L669-I751 HydrophobicContact CB-CB 4.29Å; L669-I751 HydrophobicContact CD1-CG2 4.04Å; L669-I751 PolarHBondContact N-O 2.83Å; F743-I751 HydrophobicContact CB-CG2 4.47Å; R744-I751 WeakPolarHBondContact O-CA 3.25Å; I745-I751 HydrophobicContact CG1-CG1 4.26Å; I751-L767 HydrophobicContact CG2-CD1 3.9Å; I751-L785 HydrophobicContact CD1-CD1 3.39Å |
| 752 | E | 90.5 | Very high | 88.1 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.6 | -173.6 | -48.7 | -178.7 | 127.4 | 0 | 0 | 112.6 | T667 Q668 F743 R744 | T667-E752 WeakPolarHBondContact O-CA 3.28Å; Q668-E752 HydrophobicContact CG-CG 4.09Å; Q668-E752 PolarHBondContact NE2-OE1 3.08Å; F743-E752 VanDerWaalsContact CA-O 3.28Å; F743-E752 WeakPolarHBondContact CA-O 3.42Å; R744-E752 HydrophobicContact CG-CB 4.34Å; R744-E752 IonicContact CZ-OE2 3.18Å; R744-E752 PolarHBondContact N-O 3.46Å; R744-E752 IonicContact NE-OE2 2.78Å; R744-E752 PolarHBondContact NE-OE2 2.92Å; R744-E752 IonicContact NH2-OE2 3.51Å; R744-E752 PolarHBondContact NH2-OE2 2.93Å; R744-E752 PolarHBondContact O-N 2.62Å |
| 753 | T | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 157 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | I659 P664 F666 T667 L669 I742 F743 | I659-T753 HydrophobicContact CD1-CG2 3.98Å; P664-T753 PolarHBondContact O-OG1 2.7Å; F666-T753 WeakPolarHBondContact CA-O 3.45Å; F666-T753 PolarHBondContact N-O 2.75Å; F666-T753 PolarHBondContact N-OG1 3.29Å; T667-T753 PolarHBondContact N-OG1 3.31Å; T667-T753 PolarHBondContact O-N 2.96Å; L669-T753 HydrophobicContact CD2-CG2 4.48Å; I742-T753 CarbonylContact O-C 3.59Å; I742-T753 WeakPolarHBondContact O-CA 3.42Å; F743-T753 HydrophobicContact CD1-CG2 4.29Å; F743-T753 HydrophobicContact CE1-CG2 3.97Å |
| 754 | L | 91.1 | Very high | 87.7 | Confident | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | trans | -125.8 | -11.2 | 179.6 | -60.8 | 172.8 | 0 | 0 | 0 | 113.9 | R665 F666 P741 I742 R744 | R665-L754 WeakPolarHBondContact CD-O 3.48Å; F666-L754 HydrophobicContact CD1-CD2 4.05Å; F666-L754 HydrophobicContact CE1-CD2 3.66Å; P741-L754 HydrophobicContact CB-CD1 3.92Å; P741-L754 WeakPolarHBondContact O-CB 3.04Å; P741-L754 WeakPolarHBondContact O-CD1 3.44Å; I742-L754 WeakPolarHBondContact O-CB 3.03Å; I742-L754 PolarHBondContact O-N 2.72Å; R744-L754 HydrophobicContact CB-CD1 4.48Å | ||
| 755 | V | 89.7 | Confident | 87.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141.9 | 167.2 | 179.2 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | I742 L757 | I742-V755 HydrophobicContact CB-CG2 4.19Å; I742-V755 HydrophobicContact CD1-CG2 4.29Å; I742-V755 HydrophobicContact CG1-CG2 3.85Å; I742-V755 HydrophobicContact CG2-CG2 3.76Å; V755-L757 HydrophobicContact CG2-CD2 4.2Å |
| 756 | E | 88.5 | Confident | 87.7 | Confident | 102 Ų | 102 | 40.4 Ų | 40.4 | 48% | 0.477 | 23% | 0.226 | S | C | . | . | trans | -82.4 | 159 | 167.8 | -63.4 | 120.9 | -114 | 0 | 0 | 110.7 | A663 R665 | A663-E756 WeakPolarHBondContact O-CG 3.42Å; R665-E756 WeakPolarHBondContact CG-OE1 3.36Å; R665-E756 IonicContact CZ-OE1 2.88Å; R665-E756 IonicContact NE-OE1 2.7Å; R665-E756 PolarHBondContact NE-OE1 2.69Å; R665-E756 IonicContact NH2-OE1 2.67Å; R665-E756 PolarHBondContact NH2-OE1 2.62Å | ||
| 757 | L | 90.5 | Very high | 87.8 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | trans | -129.8 | 156.3 | -169.7 | -50.3 | 178 | 0 | 0 | 0 | 112.5 | I659 E661 N662 I742 V755 Y765 V789 | I659-L757 HydrophobicContact CD1-CD1 4.18Å; I659-L757 HydrophobicContact CG2-CD1 3.66Å; E661-L757 WeakPolarHBondContact CA-O 3.15Å; N662-L757 PolarHBondContact N-O 2.8Å; I742-L757 HydrophobicContact CG2-CD2 4.26Å; V755-L757 HydrophobicContact CG2-CD2 4.2Å; L757-Y765 HydrophobicContact CD1-CE2 4.17Å; L757-Y765 HydrophobicContact CD2-CE2 3.74Å; L757-Y765 HydrophobicContact CG-CE2 4.41Å; L757-V789 HydrophobicContact CB-CG2 4.37Å; L757-V789 HydrophobicContact CD1-CG2 4.18Å | ||
| 758 | D | 89.8 | Confident | 88.2 | Confident | 70 Ų | 70 | 35 Ų | 35 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | trans | -142.6 | 126.8 | -171.6 | 169.3 | 105.1 | 0 | 0 | 0 | 109 | T761 V762 | D758-T761 WeakPolarHBondContact OD2-CB 3.38Å; D758-T761 PolarHBondContact OD2-N 3.15Å; D758-T761 PolarHBondContact OD2-OG1 2.83Å; D758-V762 CarbonylContact O-C 3.19Å; D758-V762 PolarHBondContact O-N 3.35Å | ||
| 759 | R | 88.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -40.7 | -169.9 | -169.9 | -156.1 | 71.4 | 151.5 | -11.6 | 112.7 | E661 T761 V762 P763 V789 D791 S831 | E661-R759 WeakPolarHBondContact OE2-CB 3.33Å; E661-R759 PolarHBondContact OE2-N 3.34Å; R759-T761 PolarHBondContact O-N 2.81Å; R759-V762 CarbonylContact O-C 3.58Å; R759-V762 PolarHBondContact O-N 2.98Å; R759-P763 HydrophobicContact CG-CB 3.88Å; R759-P763 WeakPolarHBondContact O-CD 3.24Å; R759-P763 VanDerWaalsContact O-N 3.09Å; R759-V789 HydrophobicContact CB-CB 4.43Å; R759-V789 HydrophobicContact CB-CG1 3.89Å; R759-V789 HydrophobicContact CG-CB 4.45Å; R759-V789 HydrophobicContact CG-CG1 4.41Å; R759-D791 IonicContact CZ-OD1 3.09Å; R759-D791 IonicContact CZ-OD2 2.91Å; R759-D791 IonicContact NE-OD1 2.7Å; R759-D791 IonicContact NH1-OD1 2.96Å; R759-D791 PolarHBondContact NH1-OD1 3.39Å; R759-D791 VanDerWaalsContact NH1-OD1 3.17Å; R759-D791 IonicContact NH1-OD2 3.83Å; R759-D791 PolarHBondContact NH1-OD2 3.46Å; R759-D791 IonicContact NH2-OD1 3.83Å; R759-D791 PolarHBondContact NH2-OD1 2.85Å; R759-D791 IonicContact NH2-OD2 2.67Å; R759-S831 PolarHBondContact NH1-OG 3.14Å; R759-S831 VanDerWaalsContact NH1-OG 3.1Å |
| 760 | E | 86.7 | Confident | 89 | Confident | 79 Ų | 79 | 31.1 Ų | 31.1 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.4 | -177.7 | -75.8 | 12.9 | -88.7 | 0 | 0 | 111.6 | ||
| 761 | T | 85.1 | Confident | 89.2 | Confident | 93 Ų | 93 | 30.1 Ų | 30.1 | 57% | 0.571 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -51.5 | 169.7 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | T697 D758 R759 | T697-T761 WeakPolarHBondContact CG2-O 3.48Å; D758-T761 WeakPolarHBondContact OD2-CB 3.38Å; D758-T761 PolarHBondContact OD2-N 3.15Å; D758-T761 PolarHBondContact OD2-OG1 2.83Å; R759-T761 PolarHBondContact O-N 2.81Å |
| 762 | V | 87.8 | Confident | 89.4 | Confident | 13 Ų | 13 | 36 Ų | 36 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | trans | -140.7 | 93.4 | -176.9 | -168.8 | 0 | 0 | 0 | 0 | 112 | A695 T697 D758 R759 V764 Y765 V789 | A695-V762 HydrophobicContact CB-CG1 3.7Å; A695-V762 HydrophobicContact CB-CG2 4.22Å; T697-V762 HydrophobicContact CG2-CG1 4.5Å; T697-V762 HydrophobicContact CG2-CG2 3.95Å; D758-V762 CarbonylContact O-C 3.19Å; D758-V762 PolarHBondContact O-N 3.35Å; R759-V762 CarbonylContact O-C 3.58Å; R759-V762 PolarHBondContact O-N 2.98Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 VanDerWaalsContact CG1-O 3.3Å; V762-V764 WeakPolarHBondContact CG1-O 3.44Å; V762-V764 PolarHBondContact O-N 2.99Å; V762-Y765 HydrophobicContact CB-CE2 4Å; V762-Y765 HydrophobicContact CG1-CD1 4.25Å; V762-Y765 HydrophobicContact CG1-CD2 4.04Å; V762-Y765 HydrophobicContact CG1-CE1 3.86Å; V762-Y765 HydrophobicContact CG1-CE2 3.62Å; V762-Y765 HydrophobicContact CG1-CG 4.34Å; V762-V789 WeakPolarHBondContact O-CG2 3.44Å | ||
| 763 | P | 86.3 | Confident | 89.5 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -68 | -20.8 | 177 | 26.8 | -36.9 | 0 | 0 | 0 | 114.2 | L696 M733 R759 V789 | L696-P763 VanDerWaalsContact O-CD 3.27Å; L696-P763 WeakPolarHBondContact O-CD 3.42Å; M733-P763 HydrophobicContact CE-CG 4.01Å; M733-P763 HydrophobicContact SD-CG 3.87Å; R759-P763 HydrophobicContact CG-CB 3.88Å; R759-P763 WeakPolarHBondContact O-CD 3.24Å; R759-P763 VanDerWaalsContact O-N 3.09Å; P763-V789 WeakPolarHBondContact O-CB 3.48Å; P763-V789 PolarHBondContact O-N 2.94Å |
| 764 | V | 89.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 137.6 | -172.9 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | L696 M733 V762 R786 V787 | L696-V764 HydrophobicContact CB-CB 4.13Å; L696-V764 HydrophobicContact CD1-CB 3.84Å; L696-V764 HydrophobicContact CD1-CG1 3.82Å; L696-V764 PolarHBondContact N-O 2.99Å; M733-V764 HydrophobicContact CE-CG2 4.49Å; M733-V764 HydrophobicContact SD-CG2 4.49Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 VanDerWaalsContact CG1-O 3.3Å; V762-V764 WeakPolarHBondContact CG1-O 3.44Å; V762-V764 PolarHBondContact O-N 2.99Å; V764-R786 HydrophobicContact CG1-CG 3.76Å; V764-R786 VanDerWaalsContact CG2-NH2 3.3Å; V764-V787 WeakPolarHBondContact CA-O 3.45Å; V764-V787 WeakPolarHBondContact CG1-O 3.29Å |
| 765 | Y | 90.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 7% | 0.071 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 153.1 | 164.6 | -62.4 | -95.2 | 0 | 0 | 0 | 111.8 | T693 Y694 A695 V738 I742 F743 L757 V762 V787 V789 | T693-Y765 HydrophobicContact CG2-CD1 4.34Å; Y694-Y765 CarbonylContact O-C 3.57Å; Y694-Y765 VanDerWaalsContact O-CA 3.22Å; Y694-Y765 WeakPolarHBondContact O-CA 3.33Å; A695-Y765 HydrophobicContact CB-CD1 4.07Å; A695-Y765 HydrophobicContact CB-CE1 3.91Å; V738-Y765 HydrophobicContact CG2-CE1 4.46Å; I742-Y765 HydrophobicContact CD1-CD1 4.26Å; I742-Y765 HydrophobicContact CD1-CE1 3.47Å; I742-Y765 VanDerWaalsContact CD1-CE1 3.47Å; F743-Y765 HydrophobicContact CE2-CD1 4.34Å; F743-Y765 HydrophobicContact CE2-CG 4.19Å; F743-Y765 HydrophobicContact CZ-CG 4.38Å; L757-Y765 HydrophobicContact CD1-CE2 4.17Å; L757-Y765 HydrophobicContact CD2-CE2 3.74Å; L757-Y765 HydrophobicContact CG-CE2 4.41Å; V762-Y765 HydrophobicContact CB-CE2 4Å; V762-Y765 HydrophobicContact CG1-CD1 4.25Å; V762-Y765 HydrophobicContact CG1-CD2 4.04Å; V762-Y765 HydrophobicContact CG1-CE1 3.86Å; V762-Y765 HydrophobicContact CG1-CE2 3.62Å; V762-Y765 HydrophobicContact CG1-CG 4.34Å; Y765-V787 PolarHBondContact N-O 2.82Å; Y765-V787 PolarHBondContact O-N 2.77Å; Y765-V789 HydrophobicContact CD2-CG2 4.32Å; Y765-V789 HydrophobicContact CE2-CG2 4.21Å |
| 766 | I | 89.4 | Confident | 88.7 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 18% | 0.179 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.1 | 171 | -63.6 | 179.5 | 0 | 0 | 0 | 109.5 | Y694 L696 M784 L785 | Y694-I766 HydrophobicContact CD2-CB 4.37Å; Y694-I766 HydrophobicContact CD2-CG2 4.32Å; Y694-I766 WeakPolarHBondContact CD2-O 3.24Å; Y694-I766 PolarHBondContact N-O 3Å; Y694-I766 PolarHBondContact O-N 2.79Å; L696-I766 HydrophobicContact CD1-CD1 3.76Å; L696-I766 HydrophobicContact CD1-CG1 4Å; I766-M784 HydrophobicContact CG2-CB 4.12Å; I766-M784 HydrophobicContact CG2-CG 4.4Å; I766-M784 HydrophobicContact CG2-SD 3.73Å; I766-L785 CarbonylContact C-O 3.55Å; I766-L785 WeakPolarHBondContact CA-O 3.47Å |
| 767 | L | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.5 | 176.6 | -40.2 | -177.1 | 0 | 0 | 0 | 109.3 | L669 L690 T693 F743 I751 M784 L785 V787 | L669-L767 HydrophobicContact CD1-CD1 4.4Å; L690-L767 HydrophobicContact CD1-CB 4.41Å; T693-L767 HydrophobicContact CG2-CD2 4Å; F743-L767 HydrophobicContact CB-CD1 4.34Å; F743-L767 HydrophobicContact CB-CD2 4.37Å; F743-L767 HydrophobicContact CD1-CD1 4.23Å; F743-L767 HydrophobicContact CD1-CD2 4.46Å; F743-L767 HydrophobicContact CD2-CD1 4.35Å; F743-L767 HydrophobicContact CD2-CD2 3.23Å; F743-L767 HydrophobicContact CD2-CG 4.42Å; F743-L767 HydrophobicContact CE2-CD2 3.45Å; F743-L767 VanDerWaalsContact CE2-CD2 3.45Å; F743-L767 HydrophobicContact CG-CD1 4.06Å; F743-L767 HydrophobicContact CG-CD2 3.79Å; F743-L767 HydrophobicContact CZ-CD2 4.17Å; I751-L767 HydrophobicContact CG2-CD1 3.9Å; L767-M784 WeakPolarHBondContact O-CA 3.4Å; L767-L785 HydrophobicContact CB-CB 4.32Å; L767-L785 PolarHBondContact N-O 3.13Å; L767-L785 PolarHBondContact O-N 2.76Å; L767-V787 HydrophobicContact CD1-CG2 4.23Å; L767-V787 HydrophobicContact CG-CG2 4.26Å |
| 768 | K | 88.9 | Confident | 88.4 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.5 | 168.8 | -171.4 | -177.1 | -179.4 | -178.7 | 0 | 109.2 | L691 A692 Y694 T782 M784 | L691-K768 HydrophobicContact CB-CB 4.28Å; L691-K768 HydrophobicContact CB-CD 4.15Å; L691-K768 HydrophobicContact CB-CG 4.09Å; L691-K768 WeakPolarHBondContact CB-O 3.47Å; L691-K768 HydrophobicContact CD1-CD 4.2Å; L691-K768 HydrophobicContact CD1-CG 4.22Å; L691-K768 PolarHBondContact N-O 3.17Å; A692-K768 HydrophobicContact CB-CB 4.21Å; A692-K768 PolarHBondContact N-O 2.94Å; A692-K768 PolarHBondContact O-N 2.97Å; Y694-K768 HydrophobicContact CE2-CB 4.17Å; K768-T782 WeakPolarHBondContact CE-OG1 3.5Å; K768-M784 HydrophobicContact CB-CE 4.01Å; K768-M784 HydrophobicContact CB-SD 3.69Å; K768-M784 HydrophobicContact CD-CE 3.89Å; K768-M784 HydrophobicContact CG-CE 3.8Å; K768-M784 HydrophobicContact CG-SD 3.94Å |
| 769 | I | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 157.4 | 176.3 | 67.9 | 169.9 | 0 | 0 | 0 | 110.2 | F637 L673 S689 L690 I745 T782 T783 L785 | F637-I769 HydrophobicContact CD1-CD1 4.49Å; F637-I769 HydrophobicContact CE1-CD1 3.72Å; F637-I769 HydrophobicContact CE1-CG1 4.22Å; F637-I769 HydrophobicContact CZ-CD1 3.95Å; F637-I769 HydrophobicContact CZ-CG1 3.92Å; L673-I769 HydrophobicContact CD1-CD1 3.84Å; L673-I769 HydrophobicContact CD2-CD1 3.44Å; L673-I769 VanDerWaalsContact CD2-CD1 3.44Å; L673-I769 HydrophobicContact CG-CD1 4.3Å; S689-I769 WeakPolarHBondContact O-CA 3.2Å; L690-I769 HydrophobicContact CD1-CG2 3.93Å; I745-I769 HydrophobicContact CD1-CB 4.25Å; I745-I769 HydrophobicContact CD1-CG2 3.69Å; I769-T782 CarbonylContact O-C 3.54Å; I769-T782 WeakPolarHBondContact O-CA 3.34Å; I769-T782 VanDerWaalsContact O-CB 3.24Å; I769-T782 WeakPolarHBondContact O-CB 3.45Å; I769-T783 HydrophobicContact CD1-CG2 3.66Å; I769-T783 HydrophobicContact CG1-CG2 3.49Å; I769-T783 VanDerWaalsContact CG1-CG2 3.49Å; I769-T783 PolarHBondContact N-O 3.3Å; I769-T783 PolarHBondContact O-N 3.17Å; I769-L785 HydrophobicContact CD1-CD1 3.83Å; I769-L785 HydrophobicContact CD1-CG 4.42Å; I769-L785 HydrophobicContact CG2-CD1 4.46Å |
| 770 | G | 89.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F688 S689 S781 | F688-G770 CarbonylContact C-O 3.59Å; F688-G770 WeakPolarHBondContact CA-O 3.25Å; S689-G770 PolarHBondContact N-O 2.64Å; S689-G770 PolarHBondContact O-N 2.83Å; S689-G770 PolarHBondContact OG-O 3.13Å; G770-S781 CarbonylContact C-O 3.5Å; G770-S781 VanDerWaalsContact CA-O 3.3Å; G770-S781 WeakPolarHBondContact CA-O 3.46Å |
| 771 | V | 91.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.1 | 172.7 | 68.9 | 0 | 0 | 0 | 0 | 109.2 | P635 F637 A675 V686 Q687 F688 A780 S781 | P635-V771 HydrophobicContact CB-CG1 4.15Å; P635-V771 HydrophobicContact CB-CG2 4.46Å; P635-V771 HydrophobicContact CG-CG1 4.34Å; P635-V771 WeakPolarHBondContact O-CG1 3.46Å; F637-V771 HydrophobicContact CD2-CG1 3.72Å; F637-V771 HydrophobicContact CE1-CB 4.22Å; F637-V771 HydrophobicContact CE1-CG1 4.4Å; F637-V771 HydrophobicContact CE2-CB 3.96Å; F637-V771 HydrophobicContact CE2-CG1 3.5Å; F637-V771 HydrophobicContact CG-CG1 4.27Å; F637-V771 HydrophobicContact CZ-CB 3.8Å; F637-V771 HydrophobicContact CZ-CG1 3.88Å; A675-V771 HydrophobicContact CB-CG1 4.25Å; A675-V771 HydrophobicContact CB-CG2 3.88Å; V686-V771 HydrophobicContact CB-CG2 3.86Å; V686-V771 HydrophobicContact CG1-CG2 4.46Å; Q687-V771 CarbonylContact O-C 3.53Å; Q687-V771 VanDerWaalsContact O-CA 3.26Å; Q687-V771 WeakPolarHBondContact O-CA 3.48Å; Q687-V771 WeakPolarHBondContact O-CG2 3.3Å; F688-V771 HydrophobicContact CD1-CB 3.8Å; F688-V771 HydrophobicContact CD1-CG2 3.73Å; F688-V771 HydrophobicContact CE1-CB 3.95Å; F688-V771 HydrophobicContact CE1-CG2 3.67Å; F688-V771 HydrophobicContact CG-CG2 4.48Å; F688-V771 HydrophobicContact CZ-CG2 4.38Å; V771-A780 CarbonylContact O-C 3.45Å; V771-A780 WeakPolarHBondContact O-CA 3.41Å; V771-A780 VanDerWaalsContact O-CB 3.28Å; V771-A780 WeakPolarHBondContact O-CB 3.44Å; V771-S781 VanDerWaalsContact CG1-OG 3.29Å; V771-S781 WeakPolarHBondContact CG1-OG 3.38Å; V771-S781 PolarHBondContact N-O 3.17Å; V771-S781 PolarHBondContact O-N 3.34Å |
| 772 | R | 92.5 | Very high | 88.7 | Confident | 128 Ų | 128 | 47.2 Ų | 47.2 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.6 | 177.7 | 69 | 176.6 | -176.7 | -177.8 | 3.5 | 111.5 | V686 Q687 L779 A780 | V686-R772 CarbonylContact C-O 3.59Å; V686-R772 VanDerWaalsContact CA-O 3.25Å; V686-R772 WeakPolarHBondContact CA-O 3.3Å; Q687-R772 HydrophobicContact CB-CG 4.27Å; Q687-R772 PolarHBondContact N-O 3.1Å; Q687-R772 PolarHBondContact O-N 3.49Å; Q687-R772 VanDerWaalsContact OE1-NE 3.11Å; R772-L779 VanDerWaalsContact CA-O 3.24Å; R772-L779 WeakPolarHBondContact CA-O 3.17Å; R772-L779 WeakPolarHBondContact CB-O 3.37Å; R772-A780 HydrophobicContact CB-CB 3.78Å |
| 773 | D | 93.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | trans | -91.4 | -156 | 178.3 | 66.4 | 44.3 | 0 | 0 | 0 | 113.5 | N631 P635 N683 R685 G775 P778 L779 | N631-D773 PolarHBondContact ND2-OD2 3.41Å; P635-D773 HydrophobicContact CG-CB 4.21Å; N683-D773 WeakPolarHBondContact O-CB 3.28Å; R685-D773 CarbonylContact O-C 3.58Å; R685-D773 VanDerWaalsContact O-C 3.26Å; R685-D773 WeakPolarHBondContact O-CA 2.98Å; D773-G775 PolarHBondContact OD1-N 2.81Å; D773-P778 WeakPolarHBondContact OD1-CA 3.28Å; D773-P778 WeakPolarHBondContact OD1-CB 3.46Å; D773-L779 PolarHBondContact N-O 3.42Å; D773-L779 VanDerWaalsContact N-O 3.11Å; D773-L779 PolarHBondContact OD1-N 3.37Å; D773-L779 VanDerWaalsContact OD2-CA 3.28Å; D773-L779 WeakPolarHBondContact OD2-CA 3.46Å; D773-L779 VanDerWaalsContact OD2-CB 3.25Å; D773-L779 WeakPolarHBondContact OD2-CB 3.19Å; D773-L779 PolarHBondContact OD2-N 2.79Å | ||
| 774 | R | 90.2 | Very high | 88.4 | Confident | 131 Ų | 131 | 50.8 Ų | 50.8 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | trans | -132 | 21.5 | 168.6 | -63.2 | -178.1 | -165.6 | -159.4 | -2.1 | 114.5 | D682 R685 | D682-R774 HydrophobicContact CB-CB 4.37Å; D682-R774 CarbonylContact O-C 3.53Å; D682-R774 WeakPolarHBondContact O-CA 3.33Å; D682-R774 WeakPolarHBondContact O-CB 3.49Å; D682-R774 PolarHBondContact O-N 2.88Å; R685-R774 HydrophobicContact CB-CB 4.38Å; R685-R774 HydrophobicContact CB-CG 4.47Å; R685-R774 WeakPolarHBondContact O-CG 3.1Å; R685-R774 PolarHBondContact O-N 2.96Å | ||
| 775 | G | 84.5 | Confident | 88.1 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -58.5 | 165.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N631 D682 N683 D773 Q777 P778 | N631-G775 WeakPolarHBondContact OD1-CA 3.29Å; D682-G775 PolarHBondContact O-N 3.3Å; N683-G775 WeakPolarHBondContact OD1-CA 3.22Å; D773-G775 PolarHBondContact OD1-N 2.81Å; G775-Q777 PolarHBondContact O-N 2.85Å; G775-P778 WeakPolarHBondContact O-CD 3.37Å |
| 776 | A | 80.2 | Confident | 87.9 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 86% | 0.86 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -62.4 | -26.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 777 | Q | 84.9 | Confident | 87.8 | Confident | 169 Ų | 169 | 51 Ų | 51 | 79% | 0.79 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -127.7 | 88.3 | 167.8 | -68.9 | -172.6 | 79.7 | 0 | 0 | 108.1 | G775 L779 | G775-Q777 PolarHBondContact O-N 2.85Å; Q777-L779 PolarHBondContact O-N 2.67Å |
| 778 | P | 88.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 53 Ų | 53 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | trans | -73.9 | 124.5 | -160.7 | 26.8 | -35 | 0 | 0 | 0 | 113.1 | D773 G775 | D773-P778 WeakPolarHBondContact OD1-CA 3.28Å; D773-P778 WeakPolarHBondContact OD1-CB 3.46Å; G775-P778 WeakPolarHBondContact O-CD 3.37Å | ||
| 779 | L | 90.1 | Very high | 87.7 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | trans | -80 | 160.7 | 174.3 | -58.3 | 176.8 | 0 | 0 | 0 | 110.7 | N631 N633 A634 R772 D773 Q777 | N631-L779 WeakPolarHBondContact ND2-CD1 3.45Å; N631-L779 WeakPolarHBondContact ND2-CG 3.32Å; N631-L779 WeakPolarHBondContact O-CD1 3.2Å; N633-L779 WeakPolarHBondContact O-CD1 3.26Å; A634-L779 HydrophobicContact CB-CB 3.87Å; A634-L779 HydrophobicContact CB-CD1 4.28Å; R772-L779 VanDerWaalsContact CA-O 3.24Å; R772-L779 WeakPolarHBondContact CA-O 3.17Å; R772-L779 WeakPolarHBondContact CB-O 3.37Å; D773-L779 PolarHBondContact N-O 3.42Å; D773-L779 VanDerWaalsContact N-O 3.11Å; D773-L779 PolarHBondContact OD1-N 3.37Å; D773-L779 VanDerWaalsContact OD2-CA 3.28Å; D773-L779 WeakPolarHBondContact OD2-CA 3.46Å; D773-L779 VanDerWaalsContact OD2-CB 3.25Å; D773-L779 WeakPolarHBondContact OD2-CB 3.19Å; D773-L779 PolarHBondContact OD2-N 2.79Å; Q777-L779 PolarHBondContact O-N 2.67Å | ||
| 780 | A | 91.1 | Very high | 87.5 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 140 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V771 R772 | V771-A780 CarbonylContact O-C 3.45Å; V771-A780 WeakPolarHBondContact O-CA 3.41Å; V771-A780 VanDerWaalsContact O-CB 3.28Å; V771-A780 WeakPolarHBondContact O-CB 3.44Å; R772-A780 HydrophobicContact CB-CB 3.78Å |
| 781 | S | 87.8 | Confident | 87.3 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 155.4 | 168.6 | 77.5 | 0 | 0 | 0 | 0 | 111.4 | P635 F637 G770 V771 | P635-S781 VanDerWaalsContact O-CB 3.24Å; P635-S781 WeakPolarHBondContact O-CB 3.36Å; P635-S781 PolarHBondContact O-OG 3.01Å; F637-S781 WeakPolarHBondContact CD2-OG 3.31Å; G770-S781 CarbonylContact C-O 3.5Å; G770-S781 VanDerWaalsContact CA-O 3.3Å; G770-S781 WeakPolarHBondContact CA-O 3.46Å; V771-S781 VanDerWaalsContact CG1-OG 3.29Å; V771-S781 WeakPolarHBondContact CG1-OG 3.38Å; V771-S781 PolarHBondContact N-O 3.17Å; V771-S781 PolarHBondContact O-N 3.34Å |
| 782 | T | 88.2 | Confident | 86.8 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.5 | 177 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | L691 K768 I769 | L691-T782 HydrophobicContact CD1-CG2 3.59Å; K768-T782 WeakPolarHBondContact CE-OG1 3.5Å; I769-T782 CarbonylContact O-C 3.54Å; I769-T782 WeakPolarHBondContact O-CA 3.34Å; I769-T782 VanDerWaalsContact O-CB 3.24Å; I769-T782 WeakPolarHBondContact O-CB 3.45Å |
| 783 | T | 83.3 | Confident | 86.4 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 164.3 | 177.8 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | F637 P640 I769 | F637-T783 HydrophobicContact CD2-CG2 3.99Å; F637-T783 HydrophobicContact CE1-CG2 4.46Å; F637-T783 HydrophobicContact CE2-CG2 3.93Å; F637-T783 HydrophobicContact CG-CG2 4.28Å; F637-T783 HydrophobicContact CZ-CG2 4.16Å; P640-T783 HydrophobicContact CG-CG2 4.07Å; I769-T783 HydrophobicContact CD1-CG2 3.66Å; I769-T783 HydrophobicContact CG1-CG2 3.49Å; I769-T783 VanDerWaalsContact CG1-CG2 3.49Å; I769-T783 PolarHBondContact N-O 3.3Å; I769-T783 PolarHBondContact O-N 3.17Å |
| 784 | M | 83.4 | Confident | 86 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.8 | -176.6 | -66.1 | -71.7 | -176.6 | 0 | 0 | 109.5 | I766 L767 K768 | I766-M784 HydrophobicContact CG2-CB 4.12Å; I766-M784 HydrophobicContact CG2-CG 4.4Å; I766-M784 HydrophobicContact CG2-SD 3.73Å; L767-M784 WeakPolarHBondContact O-CA 3.4Å; K768-M784 HydrophobicContact CB-CE 4.01Å; K768-M784 HydrophobicContact CB-SD 3.69Å; K768-M784 HydrophobicContact CD-CE 3.89Å; K768-M784 HydrophobicContact CG-CE 3.8Å; K768-M784 HydrophobicContact CG-SD 3.94Å |
| 785 | L | 84.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.4 | 173.8 | -73.1 | 170.9 | 0 | 0 | 0 | 109.7 | P640 F655 F657 I751 I766 L767 I769 | P640-L785 HydrophobicContact CB-CD2 4.29Å; P640-L785 HydrophobicContact CG-CD2 3.81Å; P640-L785 HydrophobicContact CG-CG 4.47Å; F655-L785 HydrophobicContact CB-CD2 4.32Å; F657-L785 HydrophobicContact CE2-CB 4.29Å; F657-L785 HydrophobicContact CE2-CD1 4.01Å; F657-L785 HydrophobicContact CE2-CD2 3.76Å; F657-L785 HydrophobicContact CE2-CG 4.24Å; F657-L785 HydrophobicContact CZ-CD2 4.5Å; I751-L785 HydrophobicContact CD1-CD1 3.39Å; I766-L785 CarbonylContact C-O 3.55Å; I766-L785 WeakPolarHBondContact CA-O 3.47Å; L767-L785 HydrophobicContact CB-CB 4.32Å; L767-L785 PolarHBondContact N-O 3.13Å; L767-L785 PolarHBondContact O-N 2.76Å; I769-L785 HydrophobicContact CD1-CD1 3.83Å; I769-L785 HydrophobicContact CD1-CG 4.42Å; I769-L785 HydrophobicContact CG2-CD1 4.46Å |
| 786 | R | 85.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.3 | 178.7 | -176.7 | 169.5 | 167.7 | 121.1 | -2.3 | 109.7 | F655 A656 F657 E730 V764 N788 | F655-R786 PolarHBondContact O-N 2.97Å; A656-R786 CarbonylContact C-O 3.33Å; A656-R786 WeakPolarHBondContact CA-O 3.36Å; F657-R786 PolarHBondContact N-O 3.4Å; E730-R786 IonicContact OE1-CZ 3.07Å; E730-R786 IonicContact OE1-NH1 3.34Å; E730-R786 PolarHBondContact OE1-NH1 2.72Å; E730-R786 IonicContact OE1-NH2 3.41Å; E730-R786 PolarHBondContact OE1-NH2 3.48Å; E730-R786 IonicContact OE2-NH1 3.05Å; E730-R786 PolarHBondContact OE2-NH1 2.94Å; E730-R786 VanDerWaalsContact OE2-NH1 3.13Å; V764-R786 HydrophobicContact CG1-CG 3.76Å; V764-R786 VanDerWaalsContact CG2-NH2 3.3Å; R786-N788 PolarHBondContact NE-OD1 2.8Å; R786-N788 PolarHBondContact NH2-OD1 3Å |
| 787 | V | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.2 | 173.4 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | F657 I659 L669 F743 V764 Y765 L767 | F657-V787 HydrophobicContact CB-CG2 4.48Å; F657-V787 CarbonylContact O-C 3.5Å; F657-V787 VanDerWaalsContact O-CA 3.25Å; F657-V787 WeakPolarHBondContact O-CA 3.47Å; I659-V787 HydrophobicContact CG2-CG1 3.79Å; L669-V787 HydrophobicContact CD1-CG2 3.85Å; F743-V787 HydrophobicContact CE1-CG2 4.33Å; F743-V787 HydrophobicContact CZ-CB 4.49Å; F743-V787 HydrophobicContact CZ-CG1 4.36Å; F743-V787 HydrophobicContact CZ-CG2 4.21Å; V764-V787 WeakPolarHBondContact CA-O 3.45Å; V764-V787 WeakPolarHBondContact CG1-O 3.29Å; Y765-V787 PolarHBondContact N-O 2.82Å; Y765-V787 PolarHBondContact O-N 2.77Å; L767-V787 HydrophobicContact CD1-CG2 4.23Å; L767-V787 HydrophobicContact CG-CG2 4.26Å |
| 788 | N | 87 | Confident | 86.2 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.4 | -178.6 | -75.4 | -24.1 | 0 | 0 | 0 | 110.1 | F657 T658 I659 R786 | F657-N788 PolarHBondContact O-N 2.84Å; T658-N788 HydrophobicContact CG2-CB 4.36Å; I659-N788 PolarHBondContact N-O 3.43Å; I659-N788 VanDerWaalsContact O-O 3.11Å; R786-N788 PolarHBondContact NE-OD1 2.8Å; R786-N788 PolarHBondContact NH2-OD1 3Å |
| 789 | V | 88.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.8 | 169.5 | -170 | 0 | 0 | 0 | 0 | 109 | I659 E661 L757 R759 V762 P763 Y765 | I659-V789 HydrophobicContact CG2-CG2 4.41Å; I659-V789 WeakPolarHBondContact O-CA 3.35Å; E661-V789 HydrophobicContact CB-CG1 3.7Å; L757-V789 HydrophobicContact CB-CG2 4.37Å; L757-V789 HydrophobicContact CD1-CG2 4.18Å; R759-V789 HydrophobicContact CB-CB 4.43Å; R759-V789 HydrophobicContact CB-CG1 3.89Å; R759-V789 HydrophobicContact CG-CB 4.45Å; R759-V789 HydrophobicContact CG-CG1 4.41Å; V762-V789 WeakPolarHBondContact O-CG2 3.44Å; P763-V789 WeakPolarHBondContact O-CB 3.48Å; P763-V789 PolarHBondContact O-N 2.94Å; Y765-V789 HydrophobicContact CD2-CG2 4.32Å; Y765-V789 HydrophobicContact CE2-CG2 4.21Å |
| 790 | Q | 85.7 | Confident | 86 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 168.5 | -178.5 | -64.1 | -177.8 | -26.5 | 0 | 0 | 112.8 | I659 E661 | I659-Q790 PolarHBondContact O-N 2.91Å; I659-Q790 VanDerWaalsContact O-N 3.13Å; E661-Q790 VanDerWaalsContact CD-O 3.29Å; E661-Q790 WeakPolarHBondContact CG-O 3.38Å |
| 791 | D | 84.3 | Confident | 85.6 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -109.7 | 144.5 | -159.8 | -175 | 11.5 | 0 | 0 | 0 | 114 | R759 | R759-D791 IonicContact CZ-OD1 3.09Å; R759-D791 IonicContact CZ-OD2 2.91Å; R759-D791 IonicContact NE-OD1 2.7Å; R759-D791 IonicContact NH1-OD1 2.96Å; R759-D791 PolarHBondContact NH1-OD1 3.39Å; R759-D791 VanDerWaalsContact NH1-OD1 3.17Å; R759-D791 IonicContact NH1-OD2 3.83Å; R759-D791 PolarHBondContact NH1-OD2 3.46Å; R759-D791 IonicContact NH2-OD1 3.83Å; R759-D791 PolarHBondContact NH2-OD1 2.85Å; R759-D791 IonicContact NH2-OD2 2.67Å | ||
| 792 | A | 82.2 | Confident | 85.3 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | trans | -131.7 | 127.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E661 D794 | E661-A792 PolarHBondContact OE1-N 2.89Å; E661-A792 VanDerWaalsContact OE1-N 3.08Å; A792-D794 PolarHBondContact O-N 3.45Å | ||
| 793 | N | 82.5 | Confident | 84.8 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -64.2 | 116.8 | -179.6 | 164.7 | 9.9 | 0 | 0 | 0 | 112.7 | D830 T925 P926 | N793-D830 PolarHBondContact OD1-OD2 2.97Å; N793-T925 PolarHBondContact ND2-O 3.24Å; N793-P926 PolarHBondContact ND2-O 3.33Å | ||
| 794 | D | 85.5 | Confident | 84.4 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | trans | -145.8 | 16.8 | -179.3 | 79.2 | -2.2 | 0 | 0 | 0 | 118.7 | A792 D830 | A792-D794 PolarHBondContact O-N 3.45Å; D794-D830 PolarHBondContact N-OD1 2.78Å; D794-D830 PolarHBondContact N-OD2 3.22Å | ||
| 795 | N | 83.9 | Confident | 84.2 | Confident | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | trans | -125.2 | -167.8 | -175.7 | -60 | -86.8 | 0 | 0 | 0 | 115.8 | A829 D830 S928 | N795-A829 HydrophobicContact CB-CB 4.1Å; N795-D830 WeakPolarHBondContact CA-OD2 3.39Å; N795-D830 HydrophobicContact CB-CB 4.38Å; N795-D830 PolarHBondContact N-OD2 3.13Å; N795-D830 PolarHBondContact ND2-OD1 2.93Å; N795-S928 WeakPolarHBondContact O-CB 3.38Å | ||
| 796 | A | 83.6 | Confident | 83.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 35% | 0.347 | 35% | 0.351 | S | S | . | . | trans | -169.1 | 164.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | D828 | A796-D828 WeakPolarHBondContact CA-OD1 3.45Å; A796-D828 WeakPolarHBondContact CA-OD2 3.37Å; A796-D828 PolarHBondContact N-OD1 3.33Å | ||
| 797 | P | 88.4 | Confident | 83.8 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 13% | 0.13 | 36% | 0.359 | C | S | . | . | trans | -90.3 | 164.3 | -165.9 | -2.2 | 17.7 | 0 | 0 | 0 | 120.7 | E827 D828 D922 | P797-E827 CarbonylContact C-O 3.56Å; P797-E827 WeakPolarHBondContact CA-O 3.26Å; P797-D828 HydrophobicContact CB-CB 4.24Å; P797-D828 WeakPolarHBondContact CD-OD2 3.4Å; P797-D828 WeakPolarHBondContact CG-OD2 3.25Å; P797-D922 HydrophobicContact CG-CB 3.85Å | ||
| 798 | V | 88.5 | Confident | 83.5 | Confident | 97 Ų | 97 | 68 Ų | 68 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142 | -176.3 | -170.9 | 0 | 0 | 0 | 0 | 114.8 | A826 E827 | V798-A826 CarbonylContact O-C 3.51Å; V798-A826 VanDerWaalsContact O-CA 3.23Å; V798-A826 WeakPolarHBondContact O-CA 3.25Å; V798-A826 VanDerWaalsContact O-CB 3.3Å; V798-A826 WeakPolarHBondContact O-CB 3.34Å; V798-E827 PolarHBondContact N-O 2.79Å; V798-E827 PolarHBondContact O-N 2.86Å |
| 799 | W | 87.8 | Confident | 83.4 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 21% | 0.208 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 152.1 | 172.9 | -77.8 | 118.3 | 0 | 0 | 0 | 114.8 | A826 Y839 L918 A920 A932 W933 L934 | W799-A826 HydrophobicContact CE3-CB 4.12Å; W799-Y839 HydrophobicContact CH2-CD1 4.15Å; W799-Y839 AromaticContact CZ3-CD1 3.8Å; W799-Y839 HydrophobicContact CZ3-CD1 3.8Å; W799-Y839 AromaticContact CZ3-CE1 3.87Å; W799-Y839 HydrophobicContact CZ3-CE1 3.87Å; W799-L918 HydrophobicContact CH2-CB 4.35Å; W799-A920 HydrophobicContact CH2-CB 3.92Å; W799-A920 HydrophobicContact CZ2-CB 3.97Å; W799-A920 HydrophobicContact CZ3-CB 4.32Å; W799-A932 HydrophobicContact CG-CB 4.25Å; W799-W933 VanDerWaalsContact NE1-C 3.35Å; W799-W933 PolarHBondContact NE1-O 2.73Å; W799-W933 VanDerWaalsContact NE1-O 3.1Å; W799-L934 HydrophobicContact CZ2-CB 3.99Å |
| 800 | V | 86.7 | Confident | 83.1 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -44.2 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 114.3 | R825 E827 | V800-R825 HydrophobicContact CB-CB 4.13Å; V800-R825 HydrophobicContact CB-CG 3.87Å; V800-R825 HydrophobicContact CG1-CG 4.3Å; V800-R825 HydrophobicContact CG2-CG 4.29Å; V800-R825 PolarHBondContact N-O 3.46Å; V800-E827 HydrophobicContact CG2-CB 4.41Å; V800-E827 HydrophobicContact CG2-CG 3.82Å |
| 801 | F | 83 | Confident | 83.2 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 144.1 | 179.7 | -172.6 | -90 | 0 | 0 | 0 | 112 | T803 R823 L824 R825 | F801-T803 HydrophobicContact CD2-CG2 4.13Å; F801-R823 VanDerWaalsContact CD1-O 3.3Å; F801-R823 WeakPolarHBondContact CD1-O 3.47Å; F801-R823 WeakPolarHBondContact CE1-O 3.41Å; F801-L824 CarbonylContact O-C 3.56Å; F801-L824 WeakPolarHBondContact O-CA 3.27Å; F801-R825 HydrophobicContact CB-CB 4.34Å; F801-R825 PolarHBondContact N-O 2.88Å; F801-R825 VanDerWaalsContact N-O 3.14Å; F801-R825 PolarHBondContact O-N 3.49Å |
| 802 | P | 80.6 | Confident | 83 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.071 | 39% | 0.388 | C | S | . | . | S | Bend | cis | -55.6 | 144.7 | -6.3 | -10.6 | 9.7 | 0 | 0 | 0 | 113.1 | D806 L824 L934 I936 | P802-D806 VanDerWaalsContact CB-O 3.25Å; P802-D806 WeakPolarHBondContact CB-O 3.26Å; P802-L824 HydrophobicContact CG-CD2 3.97Å; P802-L934 HydrophobicContact CB-CD2 4.18Å; P802-L934 HydrophobicContact CG-CD2 3.86Å; P802-I936 HydrophobicContact CB-CG2 4.24Å; P802-I936 HydrophobicContact CG-CG2 3.66Å |
| 803 | T | 78.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -71.3 | 160.3 | -180 | 72.5 | 0 | 0 | 0 | 0 | 110.2 | F801 V805 D806 | F801-T803 HydrophobicContact CD2-CG2 4.13Å; T803-V805 PolarHBondContact O-N 3.11Å; T803-V805 VanDerWaalsContact OG1-CG2 3.32Å; T803-V805 WeakPolarHBondContact OG1-CG2 3.32Å; T803-D806 PolarHBondContact O-N 2.07Å; T803-D806 PolarHBondContact OG1-N 2.75Å | ||
| 804 | P | 74.6 | Confident | 82.8 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 70% | 0.695 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.5 | 178.2 | -29.1 | 36.7 | 0 | 0 | 0 | 114.9 | R807 | P804-R807 PolarHBondContact O-NE 2.78Å; P804-R807 PolarHBondContact O-NH2 2.8Å |
| 805 | V | 78.3 | Confident | 82.7 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 86% | 0.861 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -15 | -175.2 | -68.1 | 0 | 0 | 0 | 0 | 115.4 | T803 | T803-V805 PolarHBondContact O-N 3.11Å; T803-V805 VanDerWaalsContact OG1-CG2 3.32Å; T803-V805 WeakPolarHBondContact OG1-CG2 3.32Å |
| 806 | D | 76.5 | Confident | 82.4 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | trans | -125.9 | 119.6 | 176.1 | -173.2 | 4 | 0 | 0 | 0 | 110.5 | P802 T803 T808 | P802-D806 VanDerWaalsContact CB-O 3.25Å; P802-D806 WeakPolarHBondContact CB-O 3.26Å; T803-D806 PolarHBondContact O-N 2.07Å; T803-D806 PolarHBondContact OG1-N 2.75Å; D806-T808 PolarHBondContact OD1-N 2.88Å; D806-T808 PolarHBondContact OD1-OG1 2.85Å | ||
| 807 | R | 84.8 | Confident | 82.3 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | trans | -144.5 | 24.4 | -166.4 | -61 | -179.5 | -177.3 | -127.8 | 3.8 | 112.1 | P804 T935 I936 N937 | P804-R807 PolarHBondContact O-NE 2.78Å; P804-R807 PolarHBondContact O-NH2 2.8Å; R807-T935 PolarHBondContact NH1-O 2.8Å; R807-I936 HydrophobicContact CB-CG2 4.1Å; R807-I936 WeakPolarHBondContact O-CA 3.46Å; R807-I936 WeakPolarHBondContact O-CB 3.19Å; R807-N937 PolarHBondContact O-N 3.41Å | ||
| 808 | T | 82.7 | Confident | 81.9 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.2 | -172 | 40.6 | 0 | 0 | 0 | 0 | 112.6 | D806 N937 F939 | D806-T808 PolarHBondContact OD1-N 2.88Å; D806-T808 PolarHBondContact OD1-OG1 2.85Å; T808-N937 WeakPolarHBondContact CA-O 3.3Å; T808-N937 HydrophobicContact CG2-CB 4.44Å; T808-F939 HydrophobicContact CG2-CE2 3.99Å |
| 809 | I | 83.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.5 | 175 | -61.7 | 174.9 | 0 | 0 | 0 | 108.7 | L811 A821 I903 I936 N937 V938 F939 | I809-L811 HydrophobicContact CG2-CD2 3.89Å; I809-L811 HydrophobicContact CG2-CG 4.16Å; I809-A821 WeakPolarHBondContact CG2-O 3.36Å; I809-I903 HydrophobicContact CD1-CD1 4.12Å; I809-I936 HydrophobicContact CD1-CD1 3.95Å; I809-N937 PolarHBondContact N-O 2.9Å; I809-V938 HydrophobicContact CB-CB 4.47Å; I809-V938 HydrophobicContact CB-CG1 4.1Å; I809-V938 HydrophobicContact CB-CG2 4.21Å; I809-V938 HydrophobicContact CG2-CG1 4.08Å; I809-V938 CarbonylContact O-C 3.49Å; I809-V938 WeakPolarHBondContact O-CA 3.43Å; I809-F939 PolarHBondContact O-N 3.45Å |
| 810 | N | 83.6 | Confident | 81.6 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.2 | 177.6 | -66.3 | -5.1 | 0 | 0 | 0 | 110.4 | F939 | N810-F939 WeakPolarHBondContact OD1-CD2 3.5Å |
| 811 | L | 86 | Confident | 81.6 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 169.5 | -178.9 | -52.2 | 175.7 | 0 | 0 | 0 | 109.7 | I809 M815 A821 L894 V905 L909 V938 F939 I940 D941 | I809-L811 HydrophobicContact CG2-CD2 3.89Å; I809-L811 HydrophobicContact CG2-CG 4.16Å; L811-M815 HydrophobicContact CB-SD 3.68Å; L811-M815 HydrophobicContact CD2-CE 3.76Å; L811-M815 HydrophobicContact CD2-SD 3.66Å; L811-M815 HydrophobicContact CG-SD 4.26Å; L811-A821 HydrophobicContact CD1-CB 4.4Å; L811-A821 HydrophobicContact CD2-CB 3.84Å; L811-L894 HydrophobicContact CD1-CD2 4.08Å; L811-V905 HydrophobicContact CD1-CG2 4.44Å; L811-L909 HydrophobicContact CB-CD1 3.73Å; L811-L909 HydrophobicContact CD1-CD1 3.87Å; L811-L909 HydrophobicContact CG-CD1 4.39Å; L811-V938 HydrophobicContact CD1-CG1 3.54Å; L811-V938 HydrophobicContact CG-CG1 3.93Å; L811-F939 WeakPolarHBondContact CB-O 3.35Å; L811-F939 PolarHBondContact N-O 2.88Å; L811-I940 HydrophobicContact CB-CG1 4.28Å; L811-I940 WeakPolarHBondContact O-CA 3.3Å; L811-D941 PolarHBondContact O-N 2.9Å; L811-D941 VanDerWaalsContact O-N 3.13Å |
| 812 | T | 81 | Confident | 81.7 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154.7 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | G814 M815 D941 | T812-G814 PolarHBondContact O-N 3.33Å; T812-G814 VanDerWaalsContact O-N 3.1Å; T812-G814 PolarHBondContact OG1-N 3.01Å; T812-M815 WeakPolarHBondContact O-CB 3.23Å; T812-M815 WeakPolarHBondContact O-CG 3.39Å; T812-M815 PolarHBondContact O-N 3.29Å; T812-D941 CarbonylContact C-O 3.47Å; T812-D941 WeakPolarHBondContact CA-O 3.46Å |
| 813 | T | 85.8 | Confident | 82 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.6 | 174.1 | 64 | 0 | 0 | 0 | 0 | 113 | M815 L909 I940 D941 P942 | T813-M815 VanDerWaalsContact C-N 3.32Å; T813-L909 WeakPolarHBondContact CB-O 2.81Å; T813-L909 WeakPolarHBondContact CG2-O 3.34Å; T813-I940 HydrophobicContact CG2-CG2 3.95Å; T813-D941 WeakPolarHBondContact CG2-O 3.44Å; T813-D941 PolarHBondContact N-O 2.83Å; T813-D941 PolarHBondContact OG1-O 2.82Å; T813-P942 WeakPolarHBondContact OG1-CA 3.44Å |
| 814 | G | 75.4 | Confident | 82.5 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T812 K816 | T812-G814 PolarHBondContact O-N 3.33Å; T812-G814 VanDerWaalsContact O-N 3.1Å; T812-G814 PolarHBondContact OG1-N 3.01Å; G814-K816 PolarHBondContact O-N 3.35Å |
| 815 | M | 81.8 | Confident | 83.2 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 22% | 0.222 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -71 | 117.2 | 175.8 | -64 | 179.7 | 71.8 | 0 | 0 | 110.2 | L811 T812 T813 L820 V905 L909 | L811-M815 HydrophobicContact CB-SD 3.68Å; L811-M815 HydrophobicContact CD2-CE 3.76Å; L811-M815 HydrophobicContact CD2-SD 3.66Å; L811-M815 HydrophobicContact CG-SD 4.26Å; T812-M815 WeakPolarHBondContact O-CB 3.23Å; T812-M815 WeakPolarHBondContact O-CG 3.39Å; T812-M815 PolarHBondContact O-N 3.29Å; T813-M815 VanDerWaalsContact C-N 3.32Å; M815-L820 WeakPolarHBondContact CE-O 3.23Å; M815-V905 HydrophobicContact CE-CG2 4.24Å; M815-L909 HydrophobicContact CB-CD1 4.12Å |
| 816 | K | 78.8 | Confident | 83.7 | Confident | 164 Ų | 164 | 62.3 Ų | 62.3 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 150.1 | 176.4 | -62 | 175.6 | -176 | 174.1 | 0 | 109.8 | G814 S819 | G814-K816 PolarHBondContact O-N 3.35Å; K816-S819 WeakPolarHBondContact O-CB 3.42Å; K816-S819 PolarHBondContact O-N 3.29Å; K816-S819 VanDerWaalsContact O-N 3.13Å; K816-S819 PolarHBondContact O-OG 3.41Å |
| 817 | P | 81.1 | Confident | 84.3 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 144.2 | 171.5 | -16.3 | 30.7 | 0 | 0 | 0 | 110.3 | V861 V905 | P817-V861 HydrophobicContact CB-CG2 3.72Å; P817-V861 HydrophobicContact CG-CG2 3.62Å; P817-V905 CarbonylContact C-O 3.49Å; P817-V905 WeakPolarHBondContact CA-O 3.44Å |
| 818 | G | 80.2 | Confident | 84.5 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -0.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V905 | G818-V905 PolarHBondContact N-O 3.36Š|
| 819 | S | 83.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | trans | -75.9 | 141.4 | 170.6 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | K816 V905 | K816-S819 WeakPolarHBondContact O-CB 3.42Å; K816-S819 PolarHBondContact O-N 3.29Å; K816-S819 VanDerWaalsContact O-N 3.13Å; K816-S819 PolarHBondContact O-OG 3.41Å; S819-V905 WeakPolarHBondContact O-CB 3.41Å; S819-V905 WeakPolarHBondContact O-CG2 3.47Å; S819-V905 PolarHBondContact O-N 2.64Å | ||
| 820 | L | 86.8 | Confident | 84.8 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 42% | 0.419 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 147 | 170.3 | -173.1 | 71 | 0 | 0 | 0 | 110.8 | M815 E902 I903 W904 | M815-L820 WeakPolarHBondContact CE-O 3.23Å; L820-E902 HydrophobicContact CD1-CB 4.19Å; L820-E902 HydrophobicContact CD1-CG 4.46Å; L820-I903 WeakPolarHBondContact CD1-O 3.37Å; L820-W904 HydrophobicContact CB-CE3 4.22Å; L820-W904 HydrophobicContact CB-CH2 4.49Å; L820-W904 HydrophobicContact CB-CZ3 4.14Å; L820-W904 HydrophobicContact CD1-CD2 3.82Å; L820-W904 HydrophobicContact CD1-CE3 4.22Å; L820-W904 HydrophobicContact CD1-CG 4.28Å; L820-W904 HydrophobicContact CD1-CH2 4.23Å; L820-W904 HydrophobicContact CD1-CZ2 3.82Å; L820-W904 HydrophobicContact CD1-CZ3 4.41Å |
| 821 | A | 86 | Confident | 84.7 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -26.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I809 L811 L894 I903 V905 | I809-A821 WeakPolarHBondContact CG2-O 3.36Å; L811-A821 HydrophobicContact CD1-CB 4.4Å; L811-A821 HydrophobicContact CD2-CB 3.84Å; A821-L894 HydrophobicContact CB-CD2 4.25Å; A821-I903 WeakPolarHBondContact CA-O 3.31Å; A821-I903 HydrophobicContact CB-CB 4.41Å; A821-I903 HydrophobicContact CB-CG2 4.17Å; A821-I903 WeakPolarHBondContact CB-O 3.22Å; A821-I903 PolarHBondContact N-O 2.84Å; A821-V905 HydrophobicContact CB-CG2 4.29Å |
| 822 | G | 85 | Confident | 84.4 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -179.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E902 I903 | G822-E902 CarbonylContact O-C 3.45Å; G822-E902 WeakPolarHBondContact O-CA 3.45Å; G822-I903 PolarHBondContact N-O 3.1Å; G822-I903 VanDerWaalsContact N-O 3.14Å; G822-I903 PolarHBondContact O-N 2.94Å |
| 823 | R | 87.6 | Confident | 84.2 | Confident | 148 Ų | 148 | 61.9 Ų | 61.9 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | trans | -150.2 | 158.5 | 174.7 | -159.6 | -177.6 | -82.1 | 179.6 | -7.4 | 112.1 | F801 T900 G901 E902 | F801-R823 VanDerWaalsContact CD1-O 3.3Å; F801-R823 WeakPolarHBondContact CD1-O 3.47Å; F801-R823 WeakPolarHBondContact CE1-O 3.41Å; R823-T900 WeakPolarHBondContact CG-O 3.47Å; R823-G901 CarbonylContact C-O 3.52Å; R823-G901 VanDerWaalsContact CA-O 3.23Å; R823-G901 WeakPolarHBondContact CA-O 3.44Å; R823-E902 HydrophobicContact CG-CG 3.9Å; R823-E902 IonicContact CZ-OE1 2.73Å; R823-E902 IonicContact NE-OE1 3.11Å; R823-E902 PolarHBondContact NE-OE1 3.04Å; R823-E902 IonicContact NH2-OE1 2.66Å; R823-E902 PolarHBondContact NH2-OE1 2.88Å | ||
| 824 | L | 89.6 | Confident | 83.9 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | trans | -125.2 | 165.9 | -177.2 | -48.8 | 173.9 | 0 | 0 | 0 | 112.8 | F801 P802 L896 G901 L918 | F801-L824 CarbonylContact O-C 3.56Å; F801-L824 WeakPolarHBondContact O-CA 3.27Å; P802-L824 HydrophobicContact CG-CD2 3.97Å; L824-L896 HydrophobicContact CD1-CD1 3.88Å; L824-L896 HydrophobicContact CD1-CD2 4.38Å; L824-G901 WeakPolarHBondContact CG-O 3.39Å; L824-G901 PolarHBondContact N-O 2.81Å; L824-G901 VanDerWaalsContact N-O 3.1Å; L824-L918 HydrophobicContact CD1-CD1 4Å; L824-L918 HydrophobicContact CD1-CD2 3.61Å; L824-L918 HydrophobicContact CD1-CG 4.41Å; L824-L918 HydrophobicContact CD2-CD1 3.69Å | ||
| 825 | R | 90 | Very high | 84.2 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 144.5 | 178.3 | -173.8 | -179.3 | 167.7 | 148.7 | -2.7 | 116.9 | V800 F801 E827 Y839 | V800-R825 HydrophobicContact CB-CB 4.13Å; V800-R825 HydrophobicContact CB-CG 3.87Å; V800-R825 HydrophobicContact CG1-CG 4.3Å; V800-R825 HydrophobicContact CG2-CG 4.29Å; V800-R825 PolarHBondContact N-O 3.46Å; F801-R825 HydrophobicContact CB-CB 4.34Å; F801-R825 PolarHBondContact N-O 2.88Å; F801-R825 VanDerWaalsContact N-O 3.14Å; F801-R825 PolarHBondContact O-N 3.49Å; R825-E827 IonicContact CZ-OE1 2.63Å; R825-E827 IonicContact NE-OE1 2.74Å; R825-E827 PolarHBondContact NE-OE1 2.75Å; R825-E827 IonicContact NH2-OE1 3.67Å; R825-E827 PolarHBondContact NH2-OE1 3.28Å; R825-Y839 WeakPolarHBondContact CA-OH 3.41Å |
| 826 | A | 87.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 169.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V798 W799 V837 Y839 A920 | V798-A826 CarbonylContact O-C 3.51Å; V798-A826 VanDerWaalsContact O-CA 3.23Å; V798-A826 WeakPolarHBondContact O-CA 3.25Å; V798-A826 VanDerWaalsContact O-CB 3.3Å; V798-A826 WeakPolarHBondContact O-CB 3.34Å; W799-A826 HydrophobicContact CE3-CB 4.12Å; A826-V837 HydrophobicContact CB-CG1 3.89Å; A826-Y839 HydrophobicContact CB-CE1 4.05Å; A826-Y839 PolarHBondContact N-OH 3.31Å; A826-A920 HydrophobicContact CB-CB 4.49Å |
| 827 | E | 88.5 | Confident | 84.5 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.7 | -171.8 | -69.4 | 174.6 | -170.4 | 0 | 0 | 114 | R702 P797 V798 V800 R825 | R702-E827 IonicContact NH2-OE2 2.91Å; R702-E827 PolarHBondContact NH2-OE2 3.39Å; P797-E827 CarbonylContact C-O 3.56Å; P797-E827 WeakPolarHBondContact CA-O 3.26Å; V798-E827 PolarHBondContact N-O 2.79Å; V798-E827 PolarHBondContact O-N 2.86Å; V800-E827 HydrophobicContact CG2-CB 4.41Å; V800-E827 HydrophobicContact CG2-CG 3.82Å; R825-E827 IonicContact CZ-OE1 2.63Å; R825-E827 IonicContact NE-OE1 2.74Å; R825-E827 PolarHBondContact NE-OE1 2.75Å; R825-E827 IonicContact NH2-OE1 3.67Å; R825-E827 PolarHBondContact NH2-OE1 3.28Å |
| 828 | D | 88.8 | Confident | 84.7 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | trans | -142.6 | 173.2 | 172.8 | -157.6 | -35.8 | 0 | 0 | 0 | 110.3 | A796 P797 | A796-D828 WeakPolarHBondContact CA-OD1 3.45Å; A796-D828 WeakPolarHBondContact CA-OD2 3.37Å; A796-D828 PolarHBondContact N-OD1 3.33Å; P797-D828 HydrophobicContact CB-CB 4.24Å; P797-D828 WeakPolarHBondContact CD-OD2 3.4Å; P797-D828 WeakPolarHBondContact CG-OD2 3.25Å | ||
| 829 | A | 85.2 | Confident | 85.1 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 51% | 0.512 | 29% | 0.286 | S | S | . | . | trans | -117.3 | -24.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | N795 | N795-A829 HydrophobicContact CB-CB 4.1Š| ||
| 830 | D | 88.4 | Confident | 85.3 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -67.2 | 175.4 | 175.6 | -87.9 | -33.8 | 0 | 0 | 0 | 112.6 | N793 D794 N795 A834 | N793-D830 PolarHBondContact OD1-OD2 2.97Å; D794-D830 PolarHBondContact N-OD1 2.78Å; D794-D830 PolarHBondContact N-OD2 3.22Å; N795-D830 WeakPolarHBondContact CA-OD2 3.39Å; N795-D830 HydrophobicContact CB-CB 4.38Å; N795-D830 PolarHBondContact N-OD2 3.13Å; N795-D830 PolarHBondContact ND2-OD1 2.93Å; D830-A834 HydrophobicContact CB-CB 3.49Å; D830-A834 VanDerWaalsContact CB-CB 3.49Å |
| 831 | S | 81.4 | Confident | 85.3 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -99.8 | 154.7 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | R759 E833 | R759-S831 PolarHBondContact NH1-OG 3.14Å; R759-S831 VanDerWaalsContact NH1-OG 3.1Å; S831-E833 PolarHBondContact O-N 3.4Å |
| 832 | F | 79.6 | Confident | 85.2 | Confident | 167 Ų | 167 | 51.8 Ų | 51.8 | 73% | 0.732 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | 58.7 | -127.8 | 177.7 | -52.7 | -80.5 | 0 | 0 | 0 | 113.7 | A834 G835 | F832-A834 VanDerWaalsContact C-N 3.29Å; F832-A834 PolarHBondContact O-N 2.99Å; F832-G835 PolarHBondContact O-N 3.23Å; F832-G835 VanDerWaalsContact O-N 3.09Å |
| 833 | E | 77.9 | Confident | 84.7 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -67.3 | -28.7 | -174.1 | -56.6 | -56 | 138.6 | 0 | 0 | 112.8 | S831 G835 K836 Q923 G924 | S831-E833 PolarHBondContact O-N 3.4Å; E833-G835 PolarHBondContact O-N 3.5Å; E833-G835 VanDerWaalsContact O-N 3.17Å; E833-K836 WeakPolarHBondContact OE1-CE 3.43Å; E833-K836 IonicContact OE1-NZ 3.8Å; E833-K836 PolarHBondContact OE1-NZ 2.85Å; E833-K836 WeakPolarHBondContact OE2-CE 3.21Å; E833-K836 IonicContact OE2-NZ 3.87Å; E833-K836 PolarHBondContact OE2-NZ 2.85Å; E833-Q923 WeakPolarHBondContact CB-O 3.42Å; E833-Q923 CarbonylContact O-C 3.55Å; E833-Q923 WeakPolarHBondContact O-CA 3.19Å; E833-Q923 WeakPolarHBondContact O-CB 3.28Å; E833-G924 PolarHBondContact O-N 2.99Å |
| 834 | A | 78.5 | Confident | 84 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -70.3 | -3.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D830 F832 | D830-A834 HydrophobicContact CB-CB 3.49Å; D830-A834 VanDerWaalsContact CB-CB 3.49Å; F832-A834 VanDerWaalsContact C-N 3.29Å; F832-A834 PolarHBondContact O-N 2.99Å |
| 835 | G | 81.2 | Confident | 83.2 | Confident | 29 Ų | 29 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -112.7 | 9.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | F832 E833 | F832-G835 PolarHBondContact O-N 3.23Å; F832-G835 VanDerWaalsContact O-N 3.09Å; E833-G835 PolarHBondContact O-N 3.5Å; E833-G835 VanDerWaalsContact O-N 3.17Å |
| 836 | K | 82 | Confident | 82.1 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | trans | -104.1 | 153 | -172.8 | -66.8 | -179.1 | -171.6 | 168.2 | 0 | 113.7 | E833 D922 Q923 | E833-K836 WeakPolarHBondContact OE1-CE 3.43Å; E833-K836 IonicContact OE1-NZ 3.8Å; E833-K836 PolarHBondContact OE1-NZ 2.85Å; E833-K836 WeakPolarHBondContact OE2-CE 3.21Å; E833-K836 IonicContact OE2-NZ 3.87Å; E833-K836 PolarHBondContact OE2-NZ 2.85Å; K836-D922 WeakPolarHBondContact O-CA 3.39Å; K836-Q923 HydrophobicContact CB-CB 4.46Å; K836-Q923 HydrophobicContact CB-CG 4.24Å | ||
| 837 | V | 85.3 | Confident | 81.8 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | trans | -139.9 | 144.5 | -177.7 | -164.1 | 0 | 0 | 0 | 0 | 113.1 | A826 A920 E921 | A826-V837 HydrophobicContact CB-CG1 3.89Å; V837-A920 HydrophobicContact CG1-CB 3.73Å; V837-E921 WeakPolarHBondContact CA-O 3.06Å | ||
| 838 | E | 85.5 | Confident | 80.9 | Confident | 61 Ų | 61 | 61 Ų | 61 | 29% | 0.285 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154 | -179 | -177.9 | 164.7 | -137.5 | 0 | 0 | 112.4 | A920 | E838-A920 VanDerWaalsContact O-CA 3.3Å; E838-A920 WeakPolarHBondContact O-CA 3.35Å |
| 839 | Y | 89.1 | Confident | 80.3 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.2 | -177.9 | -49.3 | -74.7 | 0 | 0 | 0 | 114.1 | W799 R825 A826 G898 | W799-Y839 HydrophobicContact CH2-CD1 4.15Å; W799-Y839 AromaticContact CZ3-CD1 3.8Å; W799-Y839 HydrophobicContact CZ3-CD1 3.8Å; W799-Y839 AromaticContact CZ3-CE1 3.87Å; W799-Y839 HydrophobicContact CZ3-CE1 3.87Å; R825-Y839 WeakPolarHBondContact CA-OH 3.41Å; A826-Y839 HydrophobicContact CB-CE1 4.05Å; A826-Y839 PolarHBondContact N-OH 3.31Å; Y839-G898 WeakPolarHBondContact CB-O 3.35Å; Y839-G898 WeakPolarHBondContact CD2-O 3.43Å; Y839-G898 PolarHBondContact N-O 3.43Å; Y839-G898 WeakPolarHBondContact O-CA 3.41Å |
| 840 | L | 87 | Confident | 80.1 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.3 | -179.1 | -54 | 91.2 | 0 | 0 | 0 | 112.9 | Y889 L918 R919 | L840-Y889 HydrophobicContact CB-CE2 4.26Å; L840-Y889 HydrophobicContact CG-CE2 4.47Å; L840-L918 WeakPolarHBondContact O-CA 3.23Å; L840-R919 HydrophobicContact CD1-CB 4.28Å; L840-R919 HydrophobicContact CD1-CG 4.44Å; L840-R919 PolarHBondContact N-O 3.14Å; L840-R919 PolarHBondContact O-N 2.75Å |
| 841 | F | 87.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 139.7 | 158.7 | -90.6 | -22.7 | 0 | 0 | 0 | 109.7 | I849 Y889 A891 L896 I903 L916 H917 L918 | F841-I849 HydrophobicContact CB-CD1 4.08Å; F841-Y889 HydrophobicContact CB-CG 4.16Å; F841-Y889 WeakPolarHBondContact CD2-O 3.35Å; F841-A891 HydrophobicContact CD2-CB 3.76Å; F841-A891 HydrophobicContact CE2-CB 3.54Å; F841-A891 HydrophobicContact CZ-CB 4.28Å; F841-L896 HydrophobicContact CB-CD2 4.08Å; F841-L896 HydrophobicContact CD1-CB 4.03Å; F841-L896 HydrophobicContact CD1-CD2 3.53Å; F841-L896 HydrophobicContact CD1-CG 4.37Å; F841-L896 HydrophobicContact CD2-CB 3.48Å; F841-L896 VanDerWaalsContact CD2-CB 3.48Å; F841-L896 HydrophobicContact CD2-CD2 4.21Å; F841-L896 HydrophobicContact CD2-CG 4.49Å; F841-L896 HydrophobicContact CE1-CB 3.89Å; F841-L896 HydrophobicContact CE1-CD2 3.99Å; F841-L896 HydrophobicContact CE1-CG 4.44Å; F841-L896 HydrophobicContact CE2-CB 3.35Å; F841-L896 HydrophobicContact CG-CB 3.82Å; F841-L896 HydrophobicContact CG-CD2 3.62Å; F841-L896 HydrophobicContact CG-CG 4.37Å; F841-L896 HydrophobicContact CZ-CB 3.56Å; F841-I903 HydrophobicContact CE1-CD1 4.33Å; F841-I903 HydrophobicContact CZ-CD1 4.37Å; F841-I903 HydrophobicContact CZ-CG1 4.37Å; F841-I903 HydrophobicContact CZ-CG2 4.3Å; F841-L916 HydrophobicContact CE1-CB 4Å; F841-L916 HydrophobicContact CE1-CD1 3.88Å; F841-L916 HydrophobicContact CE1-CD2 4.05Å; F841-L916 HydrophobicContact CE1-CG 4.2Å; F841-L916 HydrophobicContact CE2-CD2 4.36Å; F841-L916 HydrophobicContact CZ-CD1 3.83Å; F841-L916 HydrophobicContact CZ-CD2 3.86Å; F841-L916 HydrophobicContact CZ-CG 4.31Å; F841-H917 WeakPolarHBondContact CA-O 3.35Å; F841-L918 HydrophobicContact CD1-CD2 3.71Å; F841-L918 HydrophobicContact CE1-CD2 4.09Å |
| 842 | L | 83 | Confident | 79.3 | Confident | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.3 | 171.4 | -49.7 | 173.8 | 0 | 0 | 0 | 110.9 | E847 H917 R919 | L842-E847 CarbonylContact C-O 3.48Å; L842-E847 VanDerWaalsContact CA-O 3.3Å; L842-E847 WeakPolarHBondContact CA-O 3.4Å; L842-H917 HydrophobicContact CB-CB 3.83Å; L842-H917 PolarHBondContact N-O 2.84Å; L842-R919 HydrophobicContact CD1-CB 4.41Å |
| 843 | G | 74.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | trans | -75.3 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R845 G846 E847 H917 | G843-R845 PolarHBondContact O-N 2.83Å; G843-G846 PolarHBondContact O-N 2.68Å; G843-E847 WeakPolarHBondContact CA-OE2 3.3Å; G843-E847 PolarHBondContact N-O 3.15Å; G843-H917 PolarHBondContact O-CD2 3.21Å | ||
| 844 | P | 72.1 | Confident | 78.6 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 77% | 0.773 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -3.1 | -173.5 | -22.6 | 34.8 | 0 | 0 | 0 | 116.2 | ||
| 845 | R | 72.7 | Confident | 78 | Confident | 227 Ų | 227 | 67.7 Ų | 67.7 | 86% | 0.857 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 6.5 | 179 | -45.1 | -179.7 | -170.9 | -176.4 | 4.7 | 112.2 | G843 E847 | G843-R845 PolarHBondContact O-N 2.83Å; R845-E847 VanDerWaalsContact CA-OE2 3.28Å; R845-E847 WeakPolarHBondContact CA-OE2 3.4Å; R845-E847 WeakPolarHBondContact CB-OE2 3.48Å; R845-E847 PolarHBondContact N-OE2 3.08Å |
| 846 | G | 68.3 | Low | 77.4 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 46% | 0.464 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 81.8 | 11.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G843 | G843-G846 PolarHBondContact O-N 2.68Š|
| 847 | E | 80.2 | Confident | 76.7 | Confident | 78 Ų | 78 | 68 Ų | 68 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 148.8 | 174.3 | 68.1 | -85.5 | -120.5 | 0 | 0 | 111.7 | L842 G843 R845 I849 | L842-E847 CarbonylContact C-O 3.48Å; L842-E847 VanDerWaalsContact CA-O 3.3Å; L842-E847 WeakPolarHBondContact CA-O 3.4Å; G843-E847 WeakPolarHBondContact CA-OE2 3.3Å; G843-E847 PolarHBondContact N-O 3.15Å; R845-E847 VanDerWaalsContact CA-OE2 3.28Å; R845-E847 WeakPolarHBondContact CA-OE2 3.4Å; R845-E847 WeakPolarHBondContact CB-OE2 3.48Å; R845-E847 PolarHBondContact N-OE2 3.08Å; E847-I849 PolarHBondContact O-N 2.87Å |
| 848 | T | 70.6 | Confident | 75.8 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 66% | 0.656 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -66.9 | 121.7 | 171.6 | 49 | 0 | 0 | 0 | 0 | 109.6 | ||
| 849 | I | 76.3 | Confident | 74.4 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 140.2 | 170.3 | -74.7 | 165.4 | 0 | 0 | 0 | 108.7 | F841 E847 Y889 | F841-I849 HydrophobicContact CB-CD1 4.08Å; E847-I849 PolarHBondContact O-N 2.87Å; I849-Y889 HydrophobicContact CB-CD1 4.31Å; I849-Y889 HydrophobicContact CG2-CD1 4.29Å; I849-Y889 WeakPolarHBondContact O-CD1 3.37Å; I849-Y889 WeakPolarHBondContact O-CE1 3.4Å |
| 850 | E | 80.5 | Confident | 72.7 | Confident | 169 Ų | 169 | 78.2 Ų | 78.2 | 79% | 0.79 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 138.6 | 176.7 | -171.6 | 166.5 | -154.6 | 0 | 0 | 110.4 | V852 | E850-V852 WeakPolarHBondContact O-CG2 3.15Š|
| 851 | G | 75.9 | Confident | 71.2 | Confident | 24 Ų | 24 | 81.5 Ų | 81.5 | 25% | 0.247 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 140.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L886 G888 | G851-L886 WeakPolarHBondContact CA-O 3.41Å; G851-G888 CarbonylContact C-O 3.48Å; G851-G888 WeakPolarHBondContact CA-O 3.22Å |
| 852 | V | 76.5 | Confident | 69.6 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.176 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.7 | -175.1 | -164.3 | 0 | 0 | 0 | 0 | 108.4 | E850 E856 G888 R890 | E850-V852 WeakPolarHBondContact O-CG2 3.15Å; V852-E856 HydrophobicContact CG1-CB 3.7Å; V852-G888 PolarHBondContact N-O 3.34Å; V852-G888 CarbonylContact O-C 3.56Å; V852-G888 VanDerWaalsContact O-CA 3.29Å; V852-G888 WeakPolarHBondContact O-CA 3.3Å; V852-R890 HydrophobicContact CB-CB 4.41Å; V852-R890 HydrophobicContact CG2-CB 3.93Å |
| 853 | T | 75.1 | Confident | 68.1 | Low | 24 Ų | 24 | 94.5 Ų | 94.5 | 15% | 0.147 | 50% | 0.501 | C | S | . | . | trans | -68.3 | 157.6 | 177.6 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | E855 E856 G857 D885 L886 | T853-E855 PolarHBondContact O-N 2.92Å; T853-E856 WeakPolarHBondContact CB-OE2 3.36Å; T853-E856 WeakPolarHBondContact CG2-OE2 3.34Å; T853-E856 PolarHBondContact N-OE2 2.91Å; T853-E856 VanDerWaalsContact N-OE2 3.1Å; T853-E856 PolarHBondContact O-N 2.89Å; T853-E856 WeakPolarHBondContact OG1-CB 3.27Å; T853-E856 VanDerWaalsContact OG1-CD 3.24Å; T853-E856 VanDerWaalsContact OG1-CG 3.23Å; T853-E856 WeakPolarHBondContact OG1-CG 3.49Å; T853-E856 PolarHBondContact OG1-N 2.85Å; T853-E856 PolarHBondContact OG1-OE2 3.21Å; T853-G857 PolarHBondContact O-N 3.28Å; T853-D885 WeakPolarHBondContact CA-O 3.35Å; T853-D885 HydrophobicContact CG2-CB 4.17Å; T853-L886 HydrophobicContact CG2-CD2 4.39Å | ||
| 854 | L | 68.6 | Low | 66.6 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -36.3 | 177.1 | -174.6 | 67.1 | 0 | 0 | 0 | 112.1 | G857 L858 Y895 | L854-G857 PolarHBondContact O-N 3.48Å; L854-L858 HydrophobicContact CD1-CD1 3.85Å; L854-L858 HydrophobicContact CG-CD1 4.32Å; L854-Y895 HydrophobicContact CD1-CD1 4.43Å; L854-Y895 HydrophobicContact CD1-CE1 3.63Å |
| 855 | E | 65.2 | Low | 65.1 | Low | 160 Ų | 160 | 100.2 Ų | 100.2 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -47.9 | 177.8 | -60.9 | -164 | 159 | 0 | 0 | 111.9 | T853 G857 L858 | T853-E855 PolarHBondContact O-N 2.92Å; E855-G857 PolarHBondContact O-N 3.36Å; E855-L858 PolarHBondContact O-N 2.79Å |
| 856 | E | 69.8 | Low | 63.4 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -29.8 | 175.2 | -69.6 | 165.7 | 135.6 | 0 | 0 | 112.2 | V852 T853 L858 | V852-E856 HydrophobicContact CG1-CB 3.7Å; T853-E856 WeakPolarHBondContact CB-OE2 3.36Å; T853-E856 WeakPolarHBondContact CG2-OE2 3.34Å; T853-E856 PolarHBondContact N-OE2 2.91Å; T853-E856 VanDerWaalsContact N-OE2 3.1Å; T853-E856 PolarHBondContact O-N 2.89Å; T853-E856 WeakPolarHBondContact OG1-CB 3.27Å; T853-E856 VanDerWaalsContact OG1-CD 3.24Å; T853-E856 VanDerWaalsContact OG1-CG 3.23Å; T853-E856 WeakPolarHBondContact OG1-CG 3.49Å; T853-E856 PolarHBondContact OG1-N 2.85Å; T853-E856 PolarHBondContact OG1-OE2 3.21Å; E856-L858 PolarHBondContact O-N 2.97Å |
| 857 | G | 66.6 | Low | 61.9 | Low | 0 Ų | 0 | 103.2 Ų | 103.2 | 0% | 0 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -60.1 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T853 L854 E855 R890 A906 | T853-G857 PolarHBondContact O-N 3.28Å; L854-G857 PolarHBondContact O-N 3.48Å; E855-G857 PolarHBondContact O-N 3.36Å; G857-R890 PolarHBondContact O-NE 3.13Å; G857-R890 PolarHBondContact O-NH2 2.87Å; G857-A906 WeakPolarHBondContact O-CB 3.38Å |
| 858 | L | 66 | Low | 59.7 | Low | 53 Ų | 53 | 102.9 Ų | 102.9 | 28% | 0.277 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -108.9 | 0.1 | -162.4 | -83.3 | 149.4 | 0 | 0 | 0 | 115.5 | L854 E855 E856 N860 | L854-L858 HydrophobicContact CD1-CD1 3.85Å; L854-L858 HydrophobicContact CG-CD1 4.32Å; E855-L858 PolarHBondContact O-N 2.79Å; E856-L858 PolarHBondContact O-N 2.97Å; L858-N860 PolarHBondContact O-N 3.39Å |
| 859 | L | 56.9 | Low | 57.7 | Low | 141 Ų | 141 | 105.5 Ų | 105.5 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 85.8 | -164.2 | -157.6 | 78.1 | 0 | 0 | 0 | 115.1 | ||
| 860 | N | 53.8 | Low | 55.5 | Low | 142 Ų | 142 | 110.1 Ų | 110.1 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.1 | -2.7 | 162.2 | -111.7 | -43.5 | 0 | 0 | 0 | 116.4 | L858 | L858-N860 PolarHBondContact O-N 3.39Š|
| 861 | V | 54.3 | Low | 53.1 | Low | 90 Ų | 90 | 111 Ų | 111 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -104.9 | -21.7 | -168.5 | 173.3 | 0 | 0 | 0 | 0 | 114.8 | P817 | P817-V861 HydrophobicContact CB-CG2 3.72Å; P817-V861 HydrophobicContact CG-CG2 3.62Å |
| 862 | L | 55.2 | Low | 50.8 | Low | 154 Ų | 154 | 116.1 Ų | 116.1 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -102.5 | -21.8 | -160 | -69.6 | 170.6 | 0 | 0 | 0 | 116.9 | ||
| 863 | N | 50.9 | Low | 48.6 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | trans | -162.7 | 127.3 | 173.4 | -93.8 | -58.9 | 0 | 0 | 0 | 113.2 | ||||
| 864 | P | 42.1 | Very low | 46.4 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 146.5 | 165.4 | 33.1 | -32.8 | 0 | 0 | 0 | 111.7 | ||
| 865 | P | 41.4 | Very low | 44.5 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134.8 | -169.5 | 30.2 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 866 | K | 38.1 | Very low | 43 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 133.2 | 162.5 | -79.5 | -176.5 | 177 | 175.6 | 0 | 110.2 | ||
| 867 | P | 35.3 | Very low | 41 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 147.6 | -179 | 31.7 | -35.1 | 0 | 0 | 0 | 112.1 | ||
| 868 | G | 33.6 | Very low | 39.4 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 108.1 | 51 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 869 | L | 30.2 | Very low | 37.6 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -144.3 | 78.2 | 152.5 | -149.4 | 78.5 | 0 | 0 | 0 | 113.1 | K871 | L869-K871 PolarHBondContact O-N 2.9Š| ||
| 870 | T | 28.8 | Very low | 36.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -74 | 98.8 | 174.6 | 34.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 871 | K | 30.1 | Very low | 35.1 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -103.6 | 93.4 | 162.1 | -89.3 | -169.5 | 173.2 | -178.6 | 0 | 111 | L869 V873 | L869-K871 PolarHBondContact O-N 2.9Å; K871-V873 PolarHBondContact O-N 3.48Å | ||
| 872 | T | 28 | Very low | 34.2 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 103 | 173.3 | 26.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 873 | V | 31.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -129.6 | 88.1 | 164.1 | -175.7 | 0 | 0 | 0 | 0 | 106.2 | K871 | K871-V873 PolarHBondContact O-N 3.48Š| ||
| 874 | K | 28.3 | Very low | 33.7 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | 68.9 | 124.8 | 99 | -76.2 | -169.4 | 174.6 | -175.8 | 0 | 113.5 | |||||
| 875 | P | 28.6 | Very low | 34.1 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -79.2 | 148.1 | -168.9 | 33.3 | -36.5 | 0 | 0 | 0 | 112.7 | ||
| 876 | G | 34.2 | Very low | 34.8 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 156.6 | -26.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 877 | Q | 28.6 | Very low | 36.2 | Very low | 191 Ų | 191 | 124.4 Ų | 124.4 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -93.8 | 112 | 176.7 | -72.7 | 178.1 | -41.6 | 0 | 0 | 110.4 | L879 | Q877-L879 PolarHBondContact O-N 2.87Š| ||
| 878 | K | 31.5 | Very low | 38.2 | Very low | 211 Ų | 211 | 118.2 Ų | 118.2 | 92% | 0.917 | 67% | 0.673 | S | S | * | * | trans | -66.8 | 117.5 | 155.2 | -85.3 | -169.7 | 169.3 | -167.7 | 0 | 107 | ||||
| 879 | L | 28.8 | Very low | 40.6 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | trans | -71.1 | 140.5 | 163.3 | -145 | 74.4 | 0 | 0 | 0 | 107.9 | Q877 S881 | Q877-L879 PolarHBondContact O-N 2.87Å; L879-S881 PolarHBondContact O-N 2.6Å | ||
| 880 | S | 28.1 | Very low | 43 | Very low | 115 Ų | 115 | 112 Ų | 112 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | trans | -85.8 | 96.3 | 177 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 881 | S | 30.3 | Very low | 45.5 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | trans | -84.4 | 143.2 | 147.9 | 45 | 0 | 0 | 0 | 0 | 108.6 | L879 | L879-S881 PolarHBondContact O-N 2.6Š| ||
| 882 | N | 35.5 | Very low | 47.7 | Very low | 104 Ų | 104 | 99.4 Ų | 99.4 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | trans | -72.1 | 155.4 | 175.8 | -75.6 | -40.7 | 0 | 0 | 0 | 110.5 | D884 D885 | N882-D884 HydrophobicContact CB-CB 4.44Å; N882-D884 PolarHBondContact O-N 3.21Å; N882-D885 PolarHBondContact N-OD2 3.21Å; N882-D885 WeakPolarHBondContact O-CB 3.28Å; N882-D885 PolarHBondContact O-N 3.41Å; N882-D885 VanDerWaalsContact O-N 3.08Å | ||
| 883 | S | 44.9 | Very low | 50.4 | Low | 94 Ų | 94 | 94 Ų | 94 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.5 | 167.4 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | L886 | S883-L886 PolarHBondContact O-N 3Š|
| 884 | D | 49.4 | Very low | 53.1 | Low | 93 Ų | 93 | 87.9 Ų | 87.9 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.8 | 173 | -66.3 | -70.1 | 0 | 0 | 0 | 113.3 | N882 L886 K887 | N882-D884 HydrophobicContact CB-CB 4.44Å; N882-D884 PolarHBondContact O-N 3.21Å; D884-L886 PolarHBondContact O-N 3.48Å; D884-K887 WeakPolarHBondContact O-CB 3.36Å; D884-K887 PolarHBondContact O-N 3.35Å; D884-K887 WeakPolarHBondContact OD1-CE 3.46Å; D884-K887 IonicContact OD1-NZ 3.59Å; D884-K887 PolarHBondContact OD1-NZ 3.03Å |
| 885 | D | 50.6 | Low | 55.9 | Low | 76 Ų | 76 | 79.4 Ų | 79.4 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.3 | 176.1 | -57.1 | -32 | 0 | 0 | 0 | 111.7 | T853 N882 | T853-D885 WeakPolarHBondContact CA-O 3.35Å; T853-D885 HydrophobicContact CG2-CB 4.17Å; N882-D885 PolarHBondContact N-OD2 3.21Å; N882-D885 WeakPolarHBondContact O-CB 3.28Å; N882-D885 PolarHBondContact O-N 3.41Å; N882-D885 VanDerWaalsContact O-N 3.08Å |
| 886 | L | 57.5 | Low | 58.8 | Low | 73 Ų | 73 | 72.7 Ų | 72.7 | 38% | 0.382 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.4 | -179.2 | -67.5 | 170 | 0 | 0 | 0 | 113.8 | G851 T853 S883 D884 G888 | G851-L886 WeakPolarHBondContact CA-O 3.41Å; T853-L886 HydrophobicContact CG2-CD2 4.39Å; S883-L886 PolarHBondContact O-N 3Å; D884-L886 PolarHBondContact O-N 3.48Å; L886-G888 PolarHBondContact O-N 3.37Å; L886-G888 VanDerWaalsContact O-N 3.1Å |
| 887 | K | 66.2 | Low | 61.3 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | trans | -76.4 | 13.7 | -179.9 | -70.5 | 179.3 | 168.7 | 168.1 | 0 | 114.5 | D884 G898 T899 | D884-K887 WeakPolarHBondContact O-CB 3.36Å; D884-K887 PolarHBondContact O-N 3.35Å; D884-K887 WeakPolarHBondContact OD1-CE 3.46Å; D884-K887 IonicContact OD1-NZ 3.59Å; D884-K887 PolarHBondContact OD1-NZ 3.03Å; K887-G898 PolarHBondContact O-N 3.1Å; K887-T899 HydrophobicContact CB-CG2 4.36Å; K887-T899 HydrophobicContact CD-CG2 3.7Å | ||
| 888 | G | 77 | Confident | 63.9 | Low | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 149.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G851 V852 L886 Y895 L896 | G851-G888 CarbonylContact C-O 3.48Å; G851-G888 WeakPolarHBondContact CA-O 3.22Å; V852-G888 PolarHBondContact N-O 3.34Å; V852-G888 CarbonylContact O-C 3.56Å; V852-G888 VanDerWaalsContact O-CA 3.29Å; V852-G888 WeakPolarHBondContact O-CA 3.3Å; L886-G888 PolarHBondContact O-N 3.37Å; L886-G888 VanDerWaalsContact O-N 3.1Å; G888-Y895 WeakPolarHBondContact CA-OH 3.19Å; G888-L896 CarbonylContact C-O 3.58Å; G888-L896 VanDerWaalsContact CA-O 3.3Å; G888-L896 WeakPolarHBondContact CA-O 3.49Å |
| 889 | Y | 84.6 | Confident | 66.4 | Low | 27 Ų | 27 | 55.4 Ų | 55.4 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.2 | 175.8 | -56.8 | -82.2 | 0 | 0 | 0 | 110.8 | L840 F841 I849 Y895 L896 | L840-Y889 HydrophobicContact CB-CE2 4.26Å; L840-Y889 HydrophobicContact CG-CE2 4.47Å; F841-Y889 HydrophobicContact CB-CG 4.16Å; F841-Y889 WeakPolarHBondContact CD2-O 3.35Å; I849-Y889 HydrophobicContact CB-CD1 4.31Å; I849-Y889 HydrophobicContact CG2-CD1 4.29Å; I849-Y889 WeakPolarHBondContact O-CD1 3.37Å; I849-Y889 WeakPolarHBondContact O-CE1 3.4Å; Y889-Y895 CarbonylContact O-C 3.56Å; Y889-Y895 WeakPolarHBondContact O-CA 3.49Å; Y889-L896 HydrophobicContact CD2-CD2 4.19Å; Y889-L896 HydrophobicContact CD2-CG 4.47Å; Y889-L896 PolarHBondContact N-O 2.81Å; Y889-L896 PolarHBondContact O-N 3.47Å |
| 890 | R | 80.7 | Confident | 69 | Low | 74 Ų | 74 | 50.2 Ų | 50.2 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.4 | -175.5 | -158.6 | -179.7 | -168.7 | -78.5 | -2.8 | 112 | V852 G857 G892 | V852-R890 HydrophobicContact CB-CB 4.41Å; V852-R890 HydrophobicContact CG2-CB 3.93Å; G857-R890 PolarHBondContact O-NE 3.13Å; G857-R890 PolarHBondContact O-NH2 2.87Å; R890-G892 PolarHBondContact NH1-O 3.41Å |
| 891 | A | 81.8 | Confident | 71.7 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 95 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | F841 L894 L916 | F841-A891 HydrophobicContact CD2-CB 3.76Å; F841-A891 HydrophobicContact CE2-CB 3.54Å; F841-A891 HydrophobicContact CZ-CB 4.28Å; A891-L894 CarbonylContact C-O 3.55Å; A891-L894 PolarHBondContact N-O 3.27Å; A891-L894 WeakPolarHBondContact O-CB 3.29Å; A891-L894 PolarHBondContact O-N 3.08Å; A891-L916 HydrophobicContact CB-CD2 3.57Å |
| 892 | G | 75.2 | Confident | 74.4 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | -119.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R890 L894 | R890-G892 PolarHBondContact NH1-O 3.41Å; G892-L894 VanDerWaalsContact C-N 3.27Å |
| 893 | P | 84.8 | Confident | 76.9 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8 | 174.2 | 36.3 | -34.2 | 0 | 0 | 0 | 114.2 | A906 Q907 L909 I914 | P893-A906 WeakPolarHBondContact O-CB 3.43Å; P893-A906 PolarHBondContact O-N 3.35Å; P893-Q907 HydrophobicContact CB-CG 3.6Å; P893-L909 HydrophobicContact CB-CD2 3.79Å; P893-L909 HydrophobicContact CG-CD2 4.12Å; P893-I914 HydrophobicContact CG-CD1 3.39Å |
| 894 | L | 88.9 | Confident | 78.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 155.8 | -175.8 | -57.9 | 173.5 | 0 | 0 | 0 | 112.2 | L811 A821 A891 G892 I903 W904 V905 I914 L916 V938 | L811-L894 HydrophobicContact CD1-CD2 4.08Å; A821-L894 HydrophobicContact CB-CD2 4.25Å; A891-L894 CarbonylContact C-O 3.55Å; A891-L894 PolarHBondContact N-O 3.27Å; A891-L894 WeakPolarHBondContact O-CB 3.29Å; A891-L894 PolarHBondContact O-N 3.08Å; G892-L894 VanDerWaalsContact C-N 3.27Å; L894-I903 HydrophobicContact CB-CG2 4.05Å; L894-I903 HydrophobicContact CD1-CG2 4.32Å; L894-I903 HydrophobicContact CD2-CG2 4.37Å; L894-I903 HydrophobicContact CG-CG2 4.47Å; L894-W904 CarbonylContact C-O 3.55Å; L894-W904 VanDerWaalsContact CA-O 3.25Å; L894-W904 WeakPolarHBondContact CA-O 3.37Å; L894-V905 HydrophobicContact CD2-CG2 4.37Å; L894-I914 HydrophobicContact CD1-CD1 4.28Å; L894-L916 HydrophobicContact CD1-CD1 3.94Å; L894-V938 HydrophobicContact CD1-CG1 4.31Å; L894-V938 HydrophobicContact CD1-CG2 3.98Å |
| 895 | Y | 87.1 | Confident | 80.7 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 124.9 | 176.9 | 167.5 | -87.6 | 0 | 0 | 0 | 109.6 | L854 G888 Y889 N897 I903 W904 | L854-Y895 HydrophobicContact CD1-CD1 4.43Å; L854-Y895 HydrophobicContact CD1-CE1 3.63Å; G888-Y895 WeakPolarHBondContact CA-OH 3.19Å; Y889-Y895 CarbonylContact O-C 3.56Å; Y889-Y895 WeakPolarHBondContact O-CA 3.49Å; Y895-N897 HydrophobicContact CE1-CB 4.36Å; Y895-I903 CarbonylContact O-C 3.41Å; Y895-I903 VanDerWaalsContact O-CA 3.27Å; Y895-I903 WeakPolarHBondContact O-CA 3.33Å; Y895-W904 HydrophobicContact CD1-CB 4.38Å; Y895-W904 PolarHBondContact N-O 3.47Å; Y895-W904 PolarHBondContact O-N 3.26Å |
| 896 | L | 89.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.1 | 171.7 | 170.1 | 67.7 | 0 | 0 | 0 | 110.1 | L824 F841 G888 Y889 G901 E902 I903 L918 | L824-L896 HydrophobicContact CD1-CD1 3.88Å; L824-L896 HydrophobicContact CD1-CD2 4.38Å; F841-L896 HydrophobicContact CB-CD2 4.08Å; F841-L896 HydrophobicContact CD1-CB 4.03Å; F841-L896 HydrophobicContact CD1-CD2 3.53Å; F841-L896 HydrophobicContact CD1-CG 4.37Å; F841-L896 HydrophobicContact CD2-CB 3.48Å; F841-L896 VanDerWaalsContact CD2-CB 3.48Å; F841-L896 HydrophobicContact CD2-CD2 4.21Å; F841-L896 HydrophobicContact CD2-CG 4.49Å; F841-L896 HydrophobicContact CE1-CB 3.89Å; F841-L896 HydrophobicContact CE1-CD2 3.99Å; F841-L896 HydrophobicContact CE1-CG 4.44Å; F841-L896 HydrophobicContact CE2-CB 3.35Å; F841-L896 HydrophobicContact CG-CB 3.82Å; F841-L896 HydrophobicContact CG-CD2 3.62Å; F841-L896 HydrophobicContact CG-CG 4.37Å; F841-L896 HydrophobicContact CZ-CB 3.56Å; G888-L896 CarbonylContact C-O 3.58Å; G888-L896 VanDerWaalsContact CA-O 3.3Å; G888-L896 WeakPolarHBondContact CA-O 3.49Å; Y889-L896 HydrophobicContact CD2-CD2 4.19Å; Y889-L896 HydrophobicContact CD2-CG 4.47Å; Y889-L896 PolarHBondContact N-O 2.81Å; Y889-L896 PolarHBondContact O-N 3.47Å; L896-G901 VanDerWaalsContact CD1-C 3.48Å; L896-G901 WeakPolarHBondContact CD1-O 3.3Å; L896-E902 CarbonylContact C-O 3.48Å; L896-E902 VanDerWaalsContact CA-O 3.24Å; L896-E902 WeakPolarHBondContact CA-O 3.39Å; L896-I903 HydrophobicContact CD1-CG1 4.07Å; L896-L918 HydrophobicContact CD2-CD2 4.34Å |
| 897 | N | 86.7 | Confident | 83.2 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.5 | 160.6 | 179.9 | -14.1 | 0 | 0 | 0 | 109.7 | Y895 T899 T900 G901 E902 | Y895-N897 HydrophobicContact CE1-CB 4.36Å; N897-T899 VanDerWaalsContact C-N 3.32Å; N897-T899 PolarHBondContact O-N 2.69Å; N897-T899 PolarHBondContact OD1-N 2.98Å; N897-T899 PolarHBondContact OD1-OG1 3.3Å; N897-T900 WeakPolarHBondContact CB-OG1 3.11Å; N897-T900 VanDerWaalsContact CG-OG1 3.31Å; N897-T900 PolarHBondContact ND2-OG1 2.81Å; N897-T900 PolarHBondContact OD1-N 3.1Å; N897-G901 VanDerWaalsContact O-CA 3.23Å; N897-G901 WeakPolarHBondContact O-CA 3.24Å; N897-G901 PolarHBondContact O-N 2.8Å; N897-E902 PolarHBondContact N-O 3.42Å |
| 898 | G | 83.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y839 K887 | Y839-G898 WeakPolarHBondContact CB-O 3.35Å; Y839-G898 WeakPolarHBondContact CD2-O 3.43Å; Y839-G898 PolarHBondContact N-O 3.43Å; Y839-G898 WeakPolarHBondContact O-CA 3.41Å; K887-G898 PolarHBondContact O-N 3.1Å |
| 899 | T | 83.2 | Confident | 84.1 | Confident | 82 Ų | 82 | 29.7 Ų | 29.7 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -44.2 | 173.9 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | K887 N897 | K887-T899 HydrophobicContact CB-CG2 4.36Å; K887-T899 HydrophobicContact CD-CG2 3.7Å; N897-T899 VanDerWaalsContact C-N 3.32Å; N897-T899 PolarHBondContact O-N 2.69Å; N897-T899 PolarHBondContact OD1-N 2.98Å; N897-T899 PolarHBondContact OD1-OG1 3.3Å |
| 900 | T | 83.2 | Confident | 83.9 | Confident | 56 Ų | 56 | 33.8 Ų | 33.8 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12.9 | -178.2 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | R823 N897 E902 | R823-T900 WeakPolarHBondContact CG-O 3.47Å; N897-T900 WeakPolarHBondContact CB-OG1 3.11Å; N897-T900 VanDerWaalsContact CG-OG1 3.31Å; N897-T900 PolarHBondContact ND2-OG1 2.81Å; N897-T900 PolarHBondContact OD1-N 3.1Å; T900-E902 PolarHBondContact O-N 2.94Å; T900-E902 WeakPolarHBondContact OG1-CB 3.23Å; T900-E902 VanDerWaalsContact OG1-CG 3.25Å; T900-E902 WeakPolarHBondContact OG1-CG 3.48Å; T900-E902 PolarHBondContact OG1-N 2.81Å; T900-E902 PolarHBondContact OG1-OE2 2.76Å |
| 901 | G | 84.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | 69.5 | 8.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R823 L824 L896 N897 | R823-G901 CarbonylContact C-O 3.52Å; R823-G901 VanDerWaalsContact CA-O 3.23Å; R823-G901 WeakPolarHBondContact CA-O 3.44Å; L824-G901 WeakPolarHBondContact CG-O 3.39Å; L824-G901 PolarHBondContact N-O 2.81Å; L824-G901 VanDerWaalsContact N-O 3.1Å; L896-G901 VanDerWaalsContact CD1-C 3.48Å; L896-G901 WeakPolarHBondContact CD1-O 3.3Å; N897-G901 VanDerWaalsContact O-CA 3.23Å; N897-G901 WeakPolarHBondContact O-CA 3.24Å; N897-G901 PolarHBondContact O-N 2.8Å | ||
| 902 | E | 86.9 | Confident | 83.5 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | trans | -82.7 | 137.2 | -171.6 | -69 | 173.2 | 138.6 | 0 | 0 | 113.9 | L820 G822 R823 L896 N897 T900 | L820-E902 HydrophobicContact CD1-CB 4.19Å; L820-E902 HydrophobicContact CD1-CG 4.46Å; G822-E902 CarbonylContact O-C 3.45Å; G822-E902 WeakPolarHBondContact O-CA 3.45Å; R823-E902 HydrophobicContact CG-CG 3.9Å; R823-E902 IonicContact CZ-OE1 2.73Å; R823-E902 IonicContact NE-OE1 3.11Å; R823-E902 PolarHBondContact NE-OE1 3.04Å; R823-E902 IonicContact NH2-OE1 2.66Å; R823-E902 PolarHBondContact NH2-OE1 2.88Å; L896-E902 CarbonylContact C-O 3.48Å; L896-E902 VanDerWaalsContact CA-O 3.24Å; L896-E902 WeakPolarHBondContact CA-O 3.39Å; N897-E902 PolarHBondContact N-O 3.42Å; T900-E902 PolarHBondContact O-N 2.94Å; T900-E902 WeakPolarHBondContact OG1-CB 3.23Å; T900-E902 VanDerWaalsContact OG1-CG 3.25Å; T900-E902 WeakPolarHBondContact OG1-CG 3.48Å; T900-E902 PolarHBondContact OG1-N 2.81Å; T900-E902 PolarHBondContact OG1-OE2 2.76Å | ||
| 903 | I | 89 | Confident | 83.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.1 | 176.5 | -51.1 | 175 | 0 | 0 | 0 | 109.2 | I809 L820 A821 G822 F841 L894 Y895 L896 L916 I936 | I809-I903 HydrophobicContact CD1-CD1 4.12Å; L820-I903 WeakPolarHBondContact CD1-O 3.37Å; A821-I903 WeakPolarHBondContact CA-O 3.31Å; A821-I903 HydrophobicContact CB-CB 4.41Å; A821-I903 HydrophobicContact CB-CG2 4.17Å; A821-I903 WeakPolarHBondContact CB-O 3.22Å; A821-I903 PolarHBondContact N-O 2.84Å; G822-I903 PolarHBondContact N-O 3.1Å; G822-I903 VanDerWaalsContact N-O 3.14Å; G822-I903 PolarHBondContact O-N 2.94Å; F841-I903 HydrophobicContact CE1-CD1 4.33Å; F841-I903 HydrophobicContact CZ-CD1 4.37Å; F841-I903 HydrophobicContact CZ-CG1 4.37Å; F841-I903 HydrophobicContact CZ-CG2 4.3Å; L894-I903 HydrophobicContact CB-CG2 4.05Å; L894-I903 HydrophobicContact CD1-CG2 4.32Å; L894-I903 HydrophobicContact CD2-CG2 4.37Å; L894-I903 HydrophobicContact CG-CG2 4.47Å; Y895-I903 CarbonylContact O-C 3.41Å; Y895-I903 VanDerWaalsContact O-CA 3.27Å; Y895-I903 WeakPolarHBondContact O-CA 3.33Å; L896-I903 HydrophobicContact CD1-CG1 4.07Å; I903-L916 HydrophobicContact CD1-CD1 4.37Å; I903-I936 HydrophobicContact CD1-CD1 3.95Å |
| 904 | W | 86.7 | Confident | 83.6 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.5 | -174.8 | -66.9 | 85.9 | 0 | 0 | 0 | 112.6 | L820 L894 Y895 A906 | L820-W904 HydrophobicContact CB-CE3 4.22Å; L820-W904 HydrophobicContact CB-CH2 4.49Å; L820-W904 HydrophobicContact CB-CZ3 4.14Å; L820-W904 HydrophobicContact CD1-CD2 3.82Å; L820-W904 HydrophobicContact CD1-CE3 4.22Å; L820-W904 HydrophobicContact CD1-CG 4.28Å; L820-W904 HydrophobicContact CD1-CH2 4.23Å; L820-W904 HydrophobicContact CD1-CZ2 3.82Å; L820-W904 HydrophobicContact CD1-CZ3 4.41Å; L894-W904 CarbonylContact C-O 3.55Å; L894-W904 VanDerWaalsContact CA-O 3.25Å; L894-W904 WeakPolarHBondContact CA-O 3.37Å; Y895-W904 HydrophobicContact CD1-CB 4.38Å; Y895-W904 PolarHBondContact N-O 3.47Å; Y895-W904 PolarHBondContact O-N 3.26Å; W904-A906 PolarHBondContact O-N 2.67Å |
| 905 | V | 87.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 106.5 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | L811 M815 P817 G818 S819 A821 L894 Q907 L909 | L811-V905 HydrophobicContact CD1-CG2 4.44Å; M815-V905 HydrophobicContact CE-CG2 4.24Å; P817-V905 CarbonylContact C-O 3.49Å; P817-V905 WeakPolarHBondContact CA-O 3.44Å; G818-V905 PolarHBondContact N-O 3.36Å; S819-V905 WeakPolarHBondContact O-CB 3.41Å; S819-V905 WeakPolarHBondContact O-CG2 3.47Å; S819-V905 PolarHBondContact O-N 2.64Å; A821-V905 HydrophobicContact CB-CG2 4.29Å; L894-V905 HydrophobicContact CD2-CG2 4.37Å; V905-Q907 WeakPolarHBondContact CG1-O 3.49Å; V905-L909 HydrophobicContact CG1-CD1 4.09Å; V905-L909 HydrophobicContact CG1-CD2 3.76Å; V905-L909 HydrophobicContact CG1-CG 3.73Å; V905-L909 HydrophobicContact CG2-CD1 4.18Å |
| 906 | A | 80.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | trans | -88.8 | -20.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G857 P893 W904 | G857-A906 WeakPolarHBondContact O-CB 3.38Å; P893-A906 WeakPolarHBondContact O-CB 3.43Å; P893-A906 PolarHBondContact O-N 3.35Å; W904-A906 PolarHBondContact O-N 2.67Å | ||
| 907 | Q | 79.1 | Confident | 82.9 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -152.3 | 169.3 | 179.5 | 74.4 | -155.5 | 25.5 | 0 | 0 | 111 | P893 V905 L909 | P893-Q907 HydrophobicContact CB-CG 3.6Å; V905-Q907 WeakPolarHBondContact CG1-O 3.49Å; Q907-L909 PolarHBondContact O-N 2.65Å |
| 908 | A | 79.8 | Confident | 83 | Confident | 76 Ų | 76 | 43.3 Ų | 43.3 | 63% | 0.628 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 129.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 909 | L | 82.3 | Confident | 83.2 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 126.7 | -173.8 | -65.7 | -171.8 | 0 | 0 | 0 | 111.7 | L811 T813 M815 P893 V905 Q907 I940 | L811-L909 HydrophobicContact CB-CD1 3.73Å; L811-L909 HydrophobicContact CD1-CD1 3.87Å; L811-L909 HydrophobicContact CG-CD1 4.39Å; T813-L909 WeakPolarHBondContact CB-O 2.81Å; T813-L909 WeakPolarHBondContact CG2-O 3.34Å; M815-L909 HydrophobicContact CB-CD1 4.12Å; P893-L909 HydrophobicContact CB-CD2 3.79Å; P893-L909 HydrophobicContact CG-CD2 4.12Å; V905-L909 HydrophobicContact CG1-CD1 4.09Å; V905-L909 HydrophobicContact CG1-CD2 3.76Å; V905-L909 HydrophobicContact CG1-CG 3.73Å; V905-L909 HydrophobicContact CG2-CD1 4.18Å; Q907-L909 PolarHBondContact O-N 2.65Å; L909-I940 HydrophobicContact CB-CD1 4.38Å; L909-I940 HydrophobicContact CB-CG2 3.82Å; L909-I940 HydrophobicContact CD1-CG2 4.31Å; L909-I940 HydrophobicContact CD2-CD1 4.07Å |
| 910 | T | 80.7 | Confident | 83.4 | Confident | 113 Ų | 113 | 42.8 Ų | 42.8 | 69% | 0.693 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -98 | 137.6 | 167.4 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | G912 I940 | T910-G912 PolarHBondContact O-N 2.93Å; T910-I940 WeakPolarHBondContact O-CD1 3.37Å |
| 911 | S | 73.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -55.2 | 132.5 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | I940 | S911-I940 WeakPolarHBondContact CA-O 3.23Å; S911-I940 WeakPolarHBondContact CB-O 3.25Å |
| 912 | G | 81.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | -159.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T910 I940 | T910-G912 PolarHBondContact O-N 2.93Å; G912-I940 PolarHBondContact N-O 3.38Å; G912-I940 VanDerWaalsContact N-O 3.14Å; G912-I940 PolarHBondContact O-N 2.86Å |
| 913 | T | 79 | Confident | 83.1 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.8 | -176.3 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | V938 F939 | T913-V938 CarbonylContact C-O 3.51Å; T913-V938 WeakPolarHBondContact CA-O 3.32Å; T913-V938 VanDerWaalsContact CG2-O 3.31Å; T913-V938 WeakPolarHBondContact CG2-O 3.48Å; T913-F939 HydrophobicContact CG2-CD1 3.88Å; T913-F939 HydrophobicContact CG2-CE1 3.77Å; T913-F939 HydrophobicContact CG2-CZ 4.34Å |
| 914 | I | 81.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 18% | 0.179 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.1 | -176.2 | -52.8 | 155.9 | 0 | 0 | 0 | 109.4 | P893 L894 L916 N937 V938 I940 | P893-I914 HydrophobicContact CG-CD1 3.39Å; L894-I914 HydrophobicContact CD1-CD1 4.28Å; I914-L916 HydrophobicContact CG2-CD2 4.22Å; I914-N937 CarbonylContact O-C 3.46Å; I914-N937 WeakPolarHBondContact O-CA 3.37Å; I914-V938 HydrophobicContact CB-CB 4.25Å; I914-V938 PolarHBondContact N-O 3.14Å; I914-V938 PolarHBondContact O-N 2.9Å; I914-I940 HydrophobicContact CD1-CD1 3.99Å |
| 915 | N | 82.7 | Confident | 81.5 | Confident | 102 Ų | 102 | 46.9 Ų | 46.9 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 146.7 | 175.6 | -58.3 | -6.8 | 0 | 0 | 0 | 110.4 | I936 N937 | N915-I936 WeakPolarHBondContact CA-O 3.42Å; N915-N937 PolarHBondContact OD1-OD1 3.49Å |
| 916 | L | 85.1 | Confident | 80.7 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.4 | -174 | -55.5 | 167.7 | 0 | 0 | 0 | 111.6 | F841 A891 L894 I903 I914 T935 I936 V938 | F841-L916 HydrophobicContact CE1-CB 4Å; F841-L916 HydrophobicContact CE1-CD1 3.88Å; F841-L916 HydrophobicContact CE1-CD2 4.05Å; F841-L916 HydrophobicContact CE1-CG 4.2Å; F841-L916 HydrophobicContact CE2-CD2 4.36Å; F841-L916 HydrophobicContact CZ-CD1 3.83Å; F841-L916 HydrophobicContact CZ-CD2 3.86Å; F841-L916 HydrophobicContact CZ-CG 4.31Å; A891-L916 HydrophobicContact CB-CD2 3.57Å; L894-L916 HydrophobicContact CD1-CD1 3.94Å; I903-L916 HydrophobicContact CD1-CD1 4.37Å; I914-L916 HydrophobicContact CG2-CD2 4.22Å; L916-T935 CarbonylContact O-C 3.58Å; L916-T935 VanDerWaalsContact O-CA 3.3Å; L916-T935 WeakPolarHBondContact O-CA 3.25Å; L916-T935 WeakPolarHBondContact O-CG2 3.46Å; L916-I936 HydrophobicContact CB-CG1 3.87Å; L916-I936 HydrophobicContact CD1-CD1 4.14Å; L916-I936 HydrophobicContact CD1-CG1 4.22Å; L916-I936 PolarHBondContact N-O 2.88Å; L916-I936 PolarHBondContact O-N 2.83Å; L916-V938 HydrophobicContact CD1-CG2 3.81Å; L916-V938 HydrophobicContact CG-CG2 4.45Å |
| 917 | H | 84.5 | Confident | 79.9 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.7 | -176.5 | -60.7 | -69.8 | 0 | 0 | 0 | 112.1 | F841 L842 G843 T935 | F841-H917 WeakPolarHBondContact CA-O 3.35Å; L842-H917 HydrophobicContact CB-CB 3.83Å; L842-H917 PolarHBondContact N-O 2.84Å; G843-H917 PolarHBondContact O-CD2 3.21Å; H917-T935 WeakPolarHBondContact ND1-CG2 3.15Å; H917-T935 PolarHBondContact ND1-OG1 3.41Å |
| 918 | L | 88 | Confident | 79.1 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.1 | -162.6 | -58.6 | 172 | 0 | 0 | 0 | 115.2 | W799 L824 L840 F841 L896 W933 L934 | W799-L918 HydrophobicContact CH2-CB 4.35Å; L824-L918 HydrophobicContact CD1-CD1 4Å; L824-L918 HydrophobicContact CD1-CD2 3.61Å; L824-L918 HydrophobicContact CD1-CG 4.41Å; L824-L918 HydrophobicContact CD2-CD1 3.69Å; L840-L918 WeakPolarHBondContact O-CA 3.23Å; F841-L918 HydrophobicContact CD1-CD2 3.71Å; F841-L918 HydrophobicContact CE1-CD2 4.09Å; L896-L918 HydrophobicContact CD2-CD2 4.34Å; L918-W933 WeakPolarHBondContact O-CA 3.46Å; L918-L934 HydrophobicContact CB-CB 4.05Å; L918-L934 HydrophobicContact CD1-CB 4.24Å; L918-L934 HydrophobicContact CD1-CD2 4.27Å; L918-L934 HydrophobicContact CD1-CG 4.25Å; L918-L934 PolarHBondContact N-O 3.09Å; L918-L934 PolarHBondContact O-N 2.66Å |
| 919 | R | 87.3 | Confident | 78 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.5 | 175.7 | 178.4 | 170.1 | 174.6 | -96.6 | 3.7 | 113.6 | L840 L842 E921 D931 A932 | L840-R919 HydrophobicContact CD1-CB 4.28Å; L840-R919 HydrophobicContact CD1-CG 4.44Å; L840-R919 PolarHBondContact N-O 3.14Å; L840-R919 PolarHBondContact O-N 2.75Å; L842-R919 HydrophobicContact CD1-CB 4.41Å; R919-E921 IonicContact CZ-OE2 3.2Å; R919-E921 IonicContact NH1-OE2 3.28Å; R919-E921 PolarHBondContact NH1-OE2 2.76Å; R919-E921 IonicContact NH2-OE2 3.07Å; R919-E921 PolarHBondContact NH2-OE2 3.17Å; R919-D931 IonicContact CZ-OD1 3.1Å; R919-D931 IonicContact CZ-OD2 2.7Å; R919-D931 VanDerWaalsContact CZ-OD2 3.28Å; R919-D931 IonicContact NE-OD2 3.07Å; R919-D931 PolarHBondContact NE-OD2 2.82Å; R919-D931 IonicContact NH2-OD1 2.69Å; R919-D931 PolarHBondContact NH2-OD1 3.33Å; R919-D931 VanDerWaalsContact NH2-OD1 3.09Å; R919-D931 IonicContact NH2-OD2 2.64Å; R919-D931 PolarHBondContact NH2-OD2 3.1Å; R919-A932 CarbonylContact C-O 3.58Å; R919-A932 VanDerWaalsContact CA-O 3.29Å; R919-A932 WeakPolarHBondContact CA-O 3.18Å |
| 920 | A | 87.9 | Confident | 76.8 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W799 A826 V837 E838 A932 | W799-A920 HydrophobicContact CH2-CB 3.92Å; W799-A920 HydrophobicContact CZ2-CB 3.97Å; W799-A920 HydrophobicContact CZ3-CB 4.32Å; A826-A920 HydrophobicContact CB-CB 4.49Å; V837-A920 HydrophobicContact CG1-CB 3.73Å; E838-A920 VanDerWaalsContact O-CA 3.3Å; E838-A920 WeakPolarHBondContact O-CA 3.35Å; A920-A932 PolarHBondContact N-O 2.94Å; A920-A932 PolarHBondContact O-N 2.87Å |
| 921 | E | 84.8 | Confident | 76.4 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 154.8 | -168.2 | 175.8 | 178.9 | 154 | 0 | 0 | 112.7 | V837 R919 R927 | V837-E921 WeakPolarHBondContact CA-O 3.06Å; R919-E921 IonicContact CZ-OE2 3.2Å; R919-E921 IonicContact NH1-OE2 3.28Å; R919-E921 PolarHBondContact NH1-OE2 2.76Å; R919-E921 IonicContact NH2-OE2 3.07Å; R919-E921 PolarHBondContact NH2-OE2 3.17Å; E921-R927 IonicContact OE1-CZ 3.84Å; E921-R927 IonicContact OE1-NH1 3.68Å; E921-R927 PolarHBondContact OE1-NH1 2.99Å; E921-R927 IonicContact OE1-NH2 3.83Å; E921-R927 PolarHBondContact OE1-NH2 2.83Å |
| 922 | D | 84.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | trans | -99.4 | 174.6 | 178.1 | 87.1 | 73.4 | 0 | 0 | 0 | 116.8 | P797 K836 G924 R927 S928 | P797-D922 HydrophobicContact CG-CB 3.85Å; K836-D922 WeakPolarHBondContact O-CA 3.39Å; D922-G924 PolarHBondContact OD1-N 2.9Å; D922-R927 PolarHBondContact O-NH2 2.76Å; D922-S928 PolarHBondContact OD1-N 3.22Å; D922-S928 WeakPolarHBondContact OD2-CA 3.47Å; D922-S928 WeakPolarHBondContact OD2-CB 3.49Å; D922-S928 PolarHBondContact OD2-N 3.13Å; D922-S928 VanDerWaalsContact OD2-N 3.13Å; D922-S928 PolarHBondContact OD2-OG 2.87Å | ||
| 923 | Q | 78.1 | Confident | 76.8 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | trans | -126.6 | 12.6 | -174.9 | -52.7 | -172.6 | -12.5 | 0 | 0 | 115.3 | E833 K836 | E833-Q923 WeakPolarHBondContact CB-O 3.42Å; E833-Q923 CarbonylContact O-C 3.55Å; E833-Q923 WeakPolarHBondContact O-CA 3.19Å; E833-Q923 WeakPolarHBondContact O-CB 3.28Å; K836-Q923 HydrophobicContact CB-CB 4.46Å; K836-Q923 HydrophobicContact CB-CG 4.24Å | ||
| 924 | G | 70.7 | Confident | 77 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -72.1 | 171.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | E833 D922 P926 R927 | E833-G924 PolarHBondContact O-N 2.99Å; D922-G924 PolarHBondContact OD1-N 2.9Å; G924-P926 CarbonylContact C-O 3.52Å; G924-P926 CarbonylContact O-C 3.11Å; G924-R927 WeakPolarHBondContact O-CA 3.39Å; G924-R927 WeakPolarHBondContact O-CG 3.34Å; G924-R927 PolarHBondContact O-N 3.22Å | ||
| 925 | T | 72.8 | Confident | 77 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 79% | 0.785 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -136 | 117.3 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | N793 | N793-T925 PolarHBondContact ND2-O 3.24Š|
| 926 | P | 69.8 | Low | 77.2 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 71% | 0.708 | 31% | 0.31 | S | S | * | . | S | Bend | cis | -54.7 | 147.3 | -13.6 | 28.4 | -35.9 | 0 | 0 | 0 | 111 | N793 G924 | N793-P926 PolarHBondContact ND2-O 3.33Å; G924-P926 CarbonylContact C-O 3.52Å; G924-P926 CarbonylContact O-C 3.11Å |
| 927 | R | 64.7 | Low | 77.2 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 143.4 | 174.1 | -78.2 | -179.1 | 156 | -150.7 | -18.7 | 109.7 | E921 D922 G924 | E921-R927 IonicContact OE1-CZ 3.84Å; E921-R927 IonicContact OE1-NH1 3.68Å; E921-R927 PolarHBondContact OE1-NH1 2.99Å; E921-R927 IonicContact OE1-NH2 3.83Å; E921-R927 PolarHBondContact OE1-NH2 2.83Å; D922-R927 PolarHBondContact O-NH2 2.76Å; G924-R927 WeakPolarHBondContact O-CA 3.39Å; G924-R927 WeakPolarHBondContact O-CG 3.34Å; G924-R927 PolarHBondContact O-N 3.22Å |
| 928 | S | 62.8 | Low | 77.2 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 168.7 | 177 | 93.9 | 0 | 0 | 0 | 0 | 110.6 | N795 D922 | N795-S928 WeakPolarHBondContact O-CB 3.38Å; D922-S928 PolarHBondContact OD1-N 3.22Å; D922-S928 WeakPolarHBondContact OD2-CA 3.47Å; D922-S928 WeakPolarHBondContact OD2-CB 3.49Å; D922-S928 PolarHBondContact OD2-N 3.13Å; D922-S928 VanDerWaalsContact OD2-N 3.13Å; D922-S928 PolarHBondContact OD2-OG 2.87Å |
| 929 | H | 56.9 | Low | 77.1 | Confident | 193 Ų | 193 | 65.6 Ų | 65.6 | 89% | 0.894 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -95.1 | 13.7 | -168.2 | -91.2 | -63.6 | 0 | 0 | 0 | 115.4 | ||
| 930 | T | 56.7 | Low | 77 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | trans | -144.8 | 111.1 | -172.9 | 49.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 931 | D | 71.2 | Confident | 76.7 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | trans | -74.9 | 164 | 160 | -69.3 | -23.4 | 0 | 0 | 0 | 112.7 | R919 | R919-D931 IonicContact CZ-OD1 3.1Å; R919-D931 IonicContact CZ-OD2 2.7Å; R919-D931 VanDerWaalsContact CZ-OD2 3.28Å; R919-D931 IonicContact NE-OD2 3.07Å; R919-D931 PolarHBondContact NE-OD2 2.82Å; R919-D931 IonicContact NH2-OD1 2.69Å; R919-D931 PolarHBondContact NH2-OD1 3.33Å; R919-D931 VanDerWaalsContact NH2-OD1 3.09Å; R919-D931 IonicContact NH2-OD2 2.64Å; R919-D931 PolarHBondContact NH2-OD2 3.1Å | ||
| 932 | A | 81.7 | Confident | 76.1 | Confident | 20 Ų | 20 | 70 Ų | 70 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | W799 R919 A920 | W799-A932 HydrophobicContact CG-CB 4.25Å; R919-A932 CarbonylContact C-O 3.58Å; R919-A932 VanDerWaalsContact CA-O 3.29Å; R919-A932 WeakPolarHBondContact CA-O 3.18Å; A920-A932 PolarHBondContact N-O 2.94Å; A920-A932 PolarHBondContact O-N 2.87Å |
| 933 | W | 81.2 | Confident | 75 | Confident | 207 Ų | 207 | 74.1 Ų | 74.1 | 78% | 0.784 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.3 | -172.2 | 53.6 | -85.1 | 0 | 0 | 0 | 114.8 | W799 L918 | W799-W933 VanDerWaalsContact NE1-C 3.35Å; W799-W933 PolarHBondContact NE1-O 2.73Å; W799-W933 VanDerWaalsContact NE1-O 3.1Å; L918-W933 WeakPolarHBondContact O-CA 3.46Å |
| 934 | L | 83.6 | Confident | 73.8 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 171 | -175.4 | -171.5 | 57.2 | 0 | 0 | 0 | 113.8 | W799 P802 L918 | W799-L934 HydrophobicContact CZ2-CB 3.99Å; P802-L934 HydrophobicContact CB-CD2 4.18Å; P802-L934 HydrophobicContact CG-CD2 3.86Å; L918-L934 HydrophobicContact CB-CB 4.05Å; L918-L934 HydrophobicContact CD1-CB 4.24Å; L918-L934 HydrophobicContact CD1-CD2 4.27Å; L918-L934 HydrophobicContact CD1-CG 4.25Å; L918-L934 PolarHBondContact N-O 3.09Å; L918-L934 PolarHBondContact O-N 2.66Å |
| 935 | T | 83.3 | Confident | 72.5 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 141.6 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | R807 L916 H917 | R807-T935 PolarHBondContact NH1-O 2.8Å; L916-T935 CarbonylContact O-C 3.58Å; L916-T935 VanDerWaalsContact O-CA 3.3Å; L916-T935 WeakPolarHBondContact O-CA 3.25Å; L916-T935 WeakPolarHBondContact O-CG2 3.46Å; H917-T935 WeakPolarHBondContact ND1-CG2 3.15Å; H917-T935 PolarHBondContact ND1-OG1 3.41Å |
| 936 | I | 86 | Confident | 70.9 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 2% | 0.021 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163 | -175.7 | 63.4 | 177.2 | 0 | 0 | 0 | 114 | P802 R807 I809 I903 N915 L916 | P802-I936 HydrophobicContact CB-CG2 4.24Å; P802-I936 HydrophobicContact CG-CG2 3.66Å; R807-I936 HydrophobicContact CB-CG2 4.1Å; R807-I936 WeakPolarHBondContact O-CA 3.46Å; R807-I936 WeakPolarHBondContact O-CB 3.19Å; I809-I936 HydrophobicContact CD1-CD1 3.95Å; I903-I936 HydrophobicContact CD1-CD1 3.95Å; N915-I936 WeakPolarHBondContact CA-O 3.42Å; L916-I936 HydrophobicContact CB-CG1 3.87Å; L916-I936 HydrophobicContact CD1-CD1 4.14Å; L916-I936 HydrophobicContact CD1-CG1 4.22Å; L916-I936 PolarHBondContact N-O 2.88Å; L916-I936 PolarHBondContact O-N 2.83Å |
| 937 | N | 85.1 | Confident | 69.2 | Low | 62 Ų | 62 | 84.1 Ų | 84.1 | 33% | 0.332 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.4 | 179.7 | -56.4 | -23.3 | 0 | 0 | 0 | 111.8 | R807 T808 I809 I914 N915 | R807-N937 PolarHBondContact O-N 3.41Å; T808-N937 WeakPolarHBondContact CA-O 3.3Å; T808-N937 HydrophobicContact CG2-CB 4.44Å; I809-N937 PolarHBondContact N-O 2.9Å; I914-N937 CarbonylContact O-C 3.46Å; I914-N937 WeakPolarHBondContact O-CA 3.37Å; N915-N937 PolarHBondContact OD1-OD1 3.49Å |
| 938 | V | 85.6 | Confident | 67.7 | Low | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.8 | -178.3 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | I809 L811 L894 T913 I914 L916 | I809-V938 HydrophobicContact CB-CB 4.47Å; I809-V938 HydrophobicContact CB-CG1 4.1Å; I809-V938 HydrophobicContact CB-CG2 4.21Å; I809-V938 HydrophobicContact CG2-CG1 4.08Å; I809-V938 CarbonylContact O-C 3.49Å; I809-V938 WeakPolarHBondContact O-CA 3.43Å; L811-V938 HydrophobicContact CD1-CG1 3.54Å; L811-V938 HydrophobicContact CG-CG1 3.93Å; L894-V938 HydrophobicContact CD1-CG1 4.31Å; L894-V938 HydrophobicContact CD1-CG2 3.98Å; T913-V938 CarbonylContact C-O 3.51Å; T913-V938 WeakPolarHBondContact CA-O 3.32Å; T913-V938 VanDerWaalsContact CG2-O 3.31Å; T913-V938 WeakPolarHBondContact CG2-O 3.48Å; I914-V938 HydrophobicContact CB-CB 4.25Å; I914-V938 PolarHBondContact N-O 3.14Å; I914-V938 PolarHBondContact O-N 2.9Å; L916-V938 HydrophobicContact CD1-CG2 3.81Å; L916-V938 HydrophobicContact CG-CG2 4.45Å |
| 939 | F | 85 | Confident | 66.1 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 153 | 179.3 | -62.4 | -86.4 | 0 | 0 | 0 | 112.6 | T808 I809 N810 L811 T913 | T808-F939 HydrophobicContact CG2-CE2 3.99Å; I809-F939 PolarHBondContact O-N 3.45Å; N810-F939 WeakPolarHBondContact OD1-CD2 3.5Å; L811-F939 WeakPolarHBondContact CB-O 3.35Å; L811-F939 PolarHBondContact N-O 2.88Å; T913-F939 HydrophobicContact CG2-CD1 3.88Å; T913-F939 HydrophobicContact CG2-CE1 3.77Å; T913-F939 HydrophobicContact CG2-CZ 4.34Å |
| 940 | I | 85.8 | Confident | 64.8 | Low | 9 Ų | 9 | 89.4 Ų | 89.4 | 5% | 0.046 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 120 | -177.4 | -51.4 | 169.9 | 0 | 0 | 0 | 111.6 | L811 T813 L909 T910 S911 G912 I914 | L811-I940 HydrophobicContact CB-CG1 4.28Å; L811-I940 WeakPolarHBondContact O-CA 3.3Å; T813-I940 HydrophobicContact CG2-CG2 3.95Å; L909-I940 HydrophobicContact CB-CD1 4.38Å; L909-I940 HydrophobicContact CB-CG2 3.82Å; L909-I940 HydrophobicContact CD1-CG2 4.31Å; L909-I940 HydrophobicContact CD2-CD1 4.07Å; T910-I940 WeakPolarHBondContact O-CD1 3.37Å; S911-I940 WeakPolarHBondContact CA-O 3.23Å; S911-I940 WeakPolarHBondContact CB-O 3.25Å; G912-I940 PolarHBondContact N-O 3.38Å; G912-I940 VanDerWaalsContact N-O 3.14Å; G912-I940 PolarHBondContact O-N 2.86Å; I914-I940 HydrophobicContact CD1-CD1 3.99Å |
| 941 | D | 80.1 | Confident | 63.5 | Low | 95 Ų | 95 | 95.8 Ų | 95.8 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 143.6 | -176 | -66.6 | -40 | 0 | 0 | 0 | 115.7 | L811 T812 T813 | L811-D941 PolarHBondContact O-N 2.9Å; L811-D941 VanDerWaalsContact O-N 3.13Å; T812-D941 CarbonylContact C-O 3.47Å; T812-D941 WeakPolarHBondContact CA-O 3.46Å; T813-D941 WeakPolarHBondContact CG2-O 3.44Å; T813-D941 PolarHBondContact N-O 2.83Å; T813-D941 PolarHBondContact OG1-O 2.82Å |
| 942 | P | 72.5 | Confident | 61.8 | Low | 96 Ų | 96 | 95.3 Ų | 95.3 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | trans | -83.7 | 166 | 179.5 | 35.5 | -36.7 | 0 | 0 | 0 | 114.9 | T813 | T813-P942 WeakPolarHBondContact OG1-CA 3.44Š| ||
| 943 | S | 61.4 | Low | 59.6 | Low | 95 Ų | 95 | 97.4 Ų | 97.4 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | trans | -130.3 | 126 | -176.4 | 63.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 944 | E | 54 | Low | 57.7 | Low | 200 Ų | 200 | 96 Ų | 96 | 94% | 0.935 | 57% | 0.574 | S | S | * | * | trans | -112.2 | 168 | 168.3 | -67.2 | -167.6 | 161.6 | 0 | 0 | 111.9 | ||||
| 945 | G | 42.7 | Very low | 55.4 | Low | 76 Ų | 76 | 98.9 Ų | 98.9 | 78% | 0.784 | 61% | 0.607 | S | S | * | * | trans | -144 | 112.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 946 | I | 39.2 | Very low | 53.4 | Low | 170 Ų | 170 | 103.3 Ų | 103.3 | 87% | 0.872 | 63% | 0.634 | S | S | * | * | trans | -135.7 | 137.1 | 167.2 | -62.8 | -180 | 0 | 0 | 0 | 107.7 | ||||
| 947 | G | 34.2 | Very low | 51.3 | Low | 74 Ų | 74 | 110.4 Ų | 110.4 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | trans | -91.4 | 133.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 948 | F | 32.3 | Very low | 49.5 | Very low | 206 Ų | 206 | 111.6 Ų | 111.6 | 90% | 0.904 | 68% | 0.678 | S | S | * | * | trans | -140.3 | 155.2 | 152.6 | -158.1 | -98 | 0 | 0 | 0 | 110.1 | ||||
| 949 | L | 29.1 | Very low | 47.9 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -82.4 | 128.4 | -167.2 | -68.8 | 162.5 | 0 | 0 | 0 | 113.1 | ||||
| 950 | S | 30.4 | Very low | 46.5 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -153.5 | 116.5 | 143.1 | -164.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 951 | F | 29.8 | Very low | 45.1 | Very low | 207 Ų | 207 | 122.2 Ų | 122.2 | 91% | 0.908 | 74% | 0.739 | S | S | * | * | trans | -94.9 | 137.2 | 177.5 | -102.7 | -104.1 | 0 | 0 | 0 | 109.8 | ||||
| 952 | G | 35.1 | Very low | 44 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -163.9 | 108.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 953 | G | 35.7 | Very low | 43.4 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | 71.8 | 147.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 954 | D | 40.7 | Very low | 43.5 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | cis | -160 | 167.4 | -13.2 | -100.2 | -44.1 | 0 | 0 | 0 | 110 | ||||
| 955 | G | 35.3 | Very low | 44 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | 129 | -8.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 956 | T | 41.5 | Very low | 45.2 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | trans | -113.7 | 104.7 | -178.3 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | N958 | T956-N958 PolarHBondContact O-N 3.49Š| ||
| 957 | L | 42.1 | Very low | 46.7 | Very low | 154 Ų | 154 | 112.9 Ų | 112.9 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | -66.9 | 119.1 | 173.7 | -161.9 | 82.1 | 0 | 0 | 0 | 109.7 | I959 | L957-I959 PolarHBondContact O-N 2.96Š| ||
| 958 | N | 47.3 | Very low | 48.5 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 47% | 0.465 | 66% | 0.658 | S | S | . | * | trans | -80.7 | 117.5 | -161.8 | -160.6 | -29.4 | 0 | 0 | 0 | 112.1 | T956 T960 I961 | T956-N958 PolarHBondContact O-N 3.49Å; N958-T960 PolarHBondContact O-N 3.31Å; N958-T960 PolarHBondContact OD1-N 3.35Å; N958-T960 PolarHBondContact OD1-OG1 3.17Å; N958-I961 HydrophobicContact CB-CD1 4.31Å; N958-I961 HydrophobicContact CB-CG1 4.41Å; N958-I961 WeakPolarHBondContact O-CB 3.46Å; N958-I961 PolarHBondContact O-N 2.96Å | ||
| 959 | I | 53 | Low | 50.3 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52.8 | -30.1 | 178.9 | -70.5 | 171.8 | 0 | 0 | 0 | 112.1 | L957 I961 I962 L963 | L957-I959 PolarHBondContact O-N 2.96Å; I959-I961 VanDerWaalsContact C-N 3.27Å; I959-I961 PolarHBondContact O-N 3.27Å; I959-I962 PolarHBondContact O-N 2.78Å; I959-L963 HydrophobicContact CG2-CD1 3.92Å; I959-L963 HydrophobicContact CG2-CG 4.26Å; I959-L963 WeakPolarHBondContact O-CG 3.5Å; I959-L963 PolarHBondContact O-N 3.39Å |
| 960 | T | 54.2 | Low | 52.2 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.5 | -30.9 | 175 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | N958 A964 | N958-T960 PolarHBondContact O-N 3.31Å; N958-T960 PolarHBondContact OD1-N 3.35Å; N958-T960 PolarHBondContact OD1-OG1 3.17Å; T960-A964 VanDerWaalsContact O-CB 3.26Å; T960-A964 WeakPolarHBondContact O-CB 3.36Å; T960-A964 PolarHBondContact O-N 2.87Å |
| 961 | I | 56.5 | Low | 54.1 | Low | 105 Ų | 105 | 101.6 Ų | 101.6 | 54% | 0.538 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.4 | -39 | 176.7 | -62.7 | 174.7 | 0 | 0 | 0 | 110.4 | N958 I959 A964 M965 | N958-I961 HydrophobicContact CB-CD1 4.31Å; N958-I961 HydrophobicContact CB-CG1 4.41Å; N958-I961 WeakPolarHBondContact O-CB 3.46Å; N958-I961 PolarHBondContact O-N 2.96Å; I959-I961 VanDerWaalsContact C-N 3.27Å; I959-I961 PolarHBondContact O-N 3.27Å; I961-A964 WeakPolarHBondContact O-CB 3.43Å; I961-A964 PolarHBondContact O-N 3.44Å; I961-M965 WeakPolarHBondContact O-CG 3.44Å; I961-M965 PolarHBondContact O-N 3.23Å |
| 962 | I | 56.9 | Low | 55.9 | Low | 89 Ų | 89 | 96.2 Ų | 96.2 | 46% | 0.456 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -45.1 | 175.2 | -60.3 | 175.7 | 0 | 0 | 0 | 109.8 | I959 A964 M965 I966 | I959-I962 PolarHBondContact O-N 2.78Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 3.08Å; I962-M965 PolarHBondContact O-N 2.78Å; I962-I966 HydrophobicContact CG2-CD1 3.96Å; I962-I966 WeakPolarHBondContact O-CG1 3.18Å; I962-I966 PolarHBondContact O-N 2.82Å |
| 963 | L | 59.4 | Low | 57.4 | Low | 97 Ų | 97 | 95.6 Ų | 95.6 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -33.6 | 174.1 | -69.4 | 172.3 | 0 | 0 | 0 | 112.8 | I959 T967 | I959-L963 HydrophobicContact CG2-CD1 3.92Å; I959-L963 HydrophobicContact CG2-CG 4.26Å; I959-L963 WeakPolarHBondContact O-CG 3.5Å; I959-L963 PolarHBondContact O-N 3.39Å; L963-T967 WeakPolarHBondContact O-CB 3.13Å; L963-T967 WeakPolarHBondContact O-CG2 3.45Å; L963-T967 PolarHBondContact O-N 3.36Å; L963-T967 PolarHBondContact O-OG1 3.24Å |
| 964 | A | 64.5 | Low | 58.9 | Low | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T960 I961 I962 T967 V968 | T960-A964 VanDerWaalsContact O-CB 3.26Å; T960-A964 WeakPolarHBondContact O-CB 3.36Å; T960-A964 PolarHBondContact O-N 2.87Å; I961-A964 WeakPolarHBondContact O-CB 3.43Å; I961-A964 PolarHBondContact O-N 3.44Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 3.08Å; A964-T967 WeakPolarHBondContact CA-OG1 3.21Å; A964-T967 PolarHBondContact O-N 3Å; A964-T967 PolarHBondContact O-OG1 2.68Å; A964-T967 VanDerWaalsContact O-OG1 3.1Å; A964-V968 WeakPolarHBondContact O-CB 3.44Å; A964-V968 VanDerWaalsContact O-CG2 3.24Å; A964-V968 WeakPolarHBondContact O-CG2 3.45Å; A964-V968 PolarHBondContact O-N 3.35Å |
| 965 | M | 65.3 | Low | 60 | Low | 129 Ų | 129 | 96.2 Ų | 96.2 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -39.3 | 176.3 | -68.4 | -162.5 | 76.3 | 0 | 0 | 112.6 | I961 I962 T969 | I961-M965 WeakPolarHBondContact O-CG 3.44Å; I961-M965 PolarHBondContact O-N 3.23Å; I962-M965 PolarHBondContact O-N 2.78Å; M965-T969 WeakPolarHBondContact O-CB 3.48Å; M965-T969 WeakPolarHBondContact O-CG2 3.43Å; M965-T969 PolarHBondContact O-N 3.3Å; M965-T969 PolarHBondContact O-OG1 3Å |
| 966 | I | 67.4 | Low | 61.3 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.3 | -68.2 | 166.6 | 0 | 0 | 0 | 111.4 | I962 T969 A970 | I962-I966 HydrophobicContact CG2-CD1 3.96Å; I962-I966 WeakPolarHBondContact O-CG1 3.18Å; I962-I966 PolarHBondContact O-N 2.82Å; I966-T969 WeakPolarHBondContact CA-OG1 3.3Å; I966-T969 PolarHBondContact O-OG1 2.83Å; I966-T969 VanDerWaalsContact O-OG1 3.09Å; I966-A970 VanDerWaalsContact O-CB 3.29Å; I966-A970 WeakPolarHBondContact O-CB 3.17Å; I966-A970 PolarHBondContact O-N 2.63Å |
| 967 | T | 69.9 | Low | 62.4 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 178.1 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | L963 A964 A970 I971 | L963-T967 WeakPolarHBondContact O-CB 3.13Å; L963-T967 WeakPolarHBondContact O-CG2 3.45Å; L963-T967 PolarHBondContact O-N 3.36Å; L963-T967 PolarHBondContact O-OG1 3.24Å; A964-T967 WeakPolarHBondContact CA-OG1 3.21Å; A964-T967 PolarHBondContact O-N 3Å; A964-T967 PolarHBondContact O-OG1 2.68Å; A964-T967 VanDerWaalsContact O-OG1 3.1Å; T967-A970 PolarHBondContact O-N 3.35Å; T967-I971 WeakPolarHBondContact O-CB 3.39Å; T967-I971 WeakPolarHBondContact O-CD1 3.32Å; T967-I971 WeakPolarHBondContact O-CG1 3.41Å; T967-I971 PolarHBondContact O-N 2.92Å |
| 968 | V | 71.4 | Confident | 63.4 | Low | 79 Ų | 79 | 92.2 Ų | 92.2 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.4 | 168 | 0 | 0 | 0 | 0 | 111.6 | A964 I971 I972 | A964-V968 WeakPolarHBondContact O-CB 3.44Å; A964-V968 VanDerWaalsContact O-CG2 3.24Å; A964-V968 WeakPolarHBondContact O-CG2 3.45Å; A964-V968 PolarHBondContact O-N 3.35Å; V968-I971 PolarHBondContact O-N 3.42Å; V968-I972 HydrophobicContact CG1-CD1 3.75Å; V968-I972 HydrophobicContact CG1-CG1 4.47Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.22Å; V968-I972 PolarHBondContact O-N 2.93Å |
| 969 | T | 71.5 | Confident | 64.2 | Low | 80 Ų | 80 | 89.7 Ų | 89.7 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 176 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | M965 I966 I972 S973 | M965-T969 WeakPolarHBondContact O-CB 3.48Å; M965-T969 WeakPolarHBondContact O-CG2 3.43Å; M965-T969 PolarHBondContact O-N 3.3Å; M965-T969 PolarHBondContact O-OG1 3Å; I966-T969 WeakPolarHBondContact CA-OG1 3.3Å; I966-T969 PolarHBondContact O-OG1 2.83Å; I966-T969 VanDerWaalsContact O-OG1 3.09Å; T969-I972 PolarHBondContact O-N 2.78Å; T969-S973 WeakPolarHBondContact O-CB 3.48Å; T969-S973 PolarHBondContact O-N 2.91Å; T969-S973 PolarHBondContact O-OG 2.91Å |
| 970 | A | 68.6 | Low | 64.3 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | I966 T967 S973 L974 | I966-A970 VanDerWaalsContact O-CB 3.29Å; I966-A970 WeakPolarHBondContact O-CB 3.17Å; I966-A970 PolarHBondContact O-N 2.63Å; T967-A970 PolarHBondContact O-N 3.35Å; A970-S973 PolarHBondContact O-N 2.89Å; A970-L974 WeakPolarHBondContact O-CB 3.3Å; A970-L974 PolarHBondContact O-N 2.67Å |
| 971 | I | 69.6 | Low | 64.2 | Low | 88 Ų | 88 | 91 Ų | 91 | 45% | 0.451 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 177.3 | -72.5 | 164.9 | 0 | 0 | 0 | 111.4 | T967 V968 L974 F975 | T967-I971 WeakPolarHBondContact O-CB 3.39Å; T967-I971 WeakPolarHBondContact O-CD1 3.32Å; T967-I971 WeakPolarHBondContact O-CG1 3.41Å; T967-I971 PolarHBondContact O-N 2.92Å; V968-I971 PolarHBondContact O-N 3.42Å; I971-L974 PolarHBondContact O-N 3.09Å; I971-F975 HydrophobicContact CG2-CD2 3.68Å; I971-F975 HydrophobicContact CG2-CE2 3.66Å; I971-F975 VanDerWaalsContact O-CD2 3.28Å; I971-F975 WeakPolarHBondContact O-CD2 3.22Å; I971-F975 PolarHBondContact O-N 2.69Å |
| 972 | I | 67.3 | Low | 64.2 | Low | 94 Ų | 94 | 90.5 Ų | 90.5 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.6 | -69.6 | 167 | 0 | 0 | 0 | 110.8 | V968 T969 L974 F975 L976 | V968-I972 HydrophobicContact CG1-CD1 3.75Å; V968-I972 HydrophobicContact CG1-CG1 4.47Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.22Å; V968-I972 PolarHBondContact O-N 2.93Å; T969-I972 PolarHBondContact O-N 2.78Å; I972-L974 VanDerWaalsContact C-N 3.34Å; I972-L974 PolarHBondContact O-N 2.7Å; I972-F975 PolarHBondContact O-N 2.83Å; I972-L976 HydrophobicContact CG2-CD1 4.14Å; I972-L976 PolarHBondContact O-N 3.07Å |
| 973 | S | 68.3 | Low | 64 | Low | 65 Ų | 65 | 92 Ų | 92 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | T969 A970 L976 I977 | T969-S973 WeakPolarHBondContact O-CB 3.48Å; T969-S973 PolarHBondContact O-N 2.91Å; T969-S973 PolarHBondContact O-OG 2.91Å; A970-S973 PolarHBondContact O-N 2.89Å; S973-L976 PolarHBondContact O-N 3.3Å; S973-I977 VanDerWaalsContact O-CG1 3.29Å; S973-I977 WeakPolarHBondContact O-CG1 3.36Å; S973-I977 PolarHBondContact O-N 2.93Å |
| 974 | L | 65.9 | Low | 63 | Low | 107 Ų | 107 | 98.3 Ų | 98.3 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.7 | -173.4 | 68.4 | 0 | 0 | 0 | 111.8 | A970 I971 I972 I977 V978 | A970-L974 WeakPolarHBondContact O-CB 3.3Å; A970-L974 PolarHBondContact O-N 2.67Å; I971-L974 PolarHBondContact O-N 3.09Å; I972-L974 VanDerWaalsContact C-N 3.34Å; I972-L974 PolarHBondContact O-N 2.7Å; L974-I977 PolarHBondContact O-N 3.22Å; L974-V978 WeakPolarHBondContact O-CB 3.29Å; L974-V978 VanDerWaalsContact O-CG2 3.29Å; L974-V978 WeakPolarHBondContact O-CG2 3.37Å; L974-V978 PolarHBondContact O-N 3.13Å |
| 975 | F | 64.2 | Low | 61.6 | Low | 147 Ų | 147 | 107 Ų | 107 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.2 | -33.9 | 177 | -83.4 | -63 | 0 | 0 | 0 | 113.4 | I971 I972 G979 | I971-F975 HydrophobicContact CG2-CD2 3.68Å; I971-F975 HydrophobicContact CG2-CE2 3.66Å; I971-F975 VanDerWaalsContact O-CD2 3.28Å; I971-F975 WeakPolarHBondContact O-CD2 3.22Å; I971-F975 PolarHBondContact O-N 2.69Å; I972-F975 PolarHBondContact O-N 2.83Å; F975-G979 PolarHBondContact O-N 2.58Å |
| 976 | L | 63.1 | Low | 60.3 | Low | 110 Ų | 110 | 112.7 Ų | 112.7 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.2 | -44.3 | 171.8 | -81.8 | 164.6 | 0 | 0 | 0 | 111.7 | I972 S973 G979 I980 | I972-L976 HydrophobicContact CG2-CD1 4.14Å; I972-L976 PolarHBondContact O-N 3.07Å; S973-L976 PolarHBondContact O-N 3.3Å; L976-G979 PolarHBondContact O-N 3.43Å; L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.1Å |
| 977 | I | 65 | Low | 58.9 | Low | 105 Ų | 105 | 113 Ų | 113 | 54% | 0.538 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.4 | -46.9 | 175.3 | -69.1 | 164.7 | 0 | 0 | 0 | 110.5 | S973 L974 G979 I980 V981 | S973-I977 VanDerWaalsContact O-CG1 3.29Å; S973-I977 WeakPolarHBondContact O-CG1 3.36Å; S973-I977 PolarHBondContact O-N 2.93Å; L974-I977 PolarHBondContact O-N 3.22Å; I977-G979 VanDerWaalsContact C-N 3.34Å; I977-G979 PolarHBondContact O-N 3Å; I977-I980 PolarHBondContact O-N 2.85Å; I977-V981 HydrophobicContact CG2-CG2 4.39Å; I977-V981 WeakPolarHBondContact O-CB 3.1Å; I977-V981 VanDerWaalsContact O-CG2 3.25Å; I977-V981 WeakPolarHBondContact O-CG2 3.48Å; I977-V981 PolarHBondContact O-N 3.37Å |
| 978 | V | 62.7 | Low | 57.3 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.8 | -39.4 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | L974 V981 C982 | L974-V978 WeakPolarHBondContact O-CB 3.29Å; L974-V978 VanDerWaalsContact O-CG2 3.29Å; L974-V978 WeakPolarHBondContact O-CG2 3.37Å; L974-V978 PolarHBondContact O-N 3.13Å; V978-V981 PolarHBondContact O-N 2.85Å; V978-C982 WeakPolarHBondContact O-CB 3.2Å; V978-C982 PolarHBondContact O-N 3.19Å; V978-C982 PolarHBondContact O-SG 3.28Å |
| 979 | G | 62.8 | Low | 55.4 | Low | 34 Ų | 34 | 121.8 Ų | 121.8 | 35% | 0.351 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.7 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F975 L976 I977 V981 C982 V983 | F975-G979 PolarHBondContact O-N 2.58Å; L976-G979 PolarHBondContact O-N 3.43Å; I977-G979 VanDerWaalsContact C-N 3.34Å; I977-G979 PolarHBondContact O-N 3Å; G979-V981 PolarHBondContact O-N 2.98Å; G979-C982 PolarHBondContact O-N 3.41Å; G979-V983 VanDerWaalsContact O-CG2 3.24Å; G979-V983 WeakPolarHBondContact O-CG2 3.37Å; G979-V983 PolarHBondContact O-N 2.79Å |
| 980 | I | 55.5 | Low | 53.5 | Low | 129 Ų | 129 | 127 Ų | 127 | 66% | 0.662 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | 178.1 | -68.4 | 165.2 | 0 | 0 | 0 | 111.2 | L976 I977 | L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.36Å; L976-I980 PolarHBondContact O-N 3.1Å; I977-I980 PolarHBondContact O-N 2.85Å |
| 981 | V | 53.3 | Low | 52 | Low | 104 Ų | 104 | 130.3 Ų | 130.3 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.4 | -33.1 | 178.9 | 170 | 0 | 0 | 0 | 0 | 112.7 | I977 V978 G979 | I977-V981 HydrophobicContact CG2-CG2 4.39Å; I977-V981 WeakPolarHBondContact O-CB 3.1Å; I977-V981 VanDerWaalsContact O-CG2 3.25Å; I977-V981 WeakPolarHBondContact O-CG2 3.48Å; I977-V981 PolarHBondContact O-N 3.37Å; V978-V981 PolarHBondContact O-N 2.85Å; G979-V981 PolarHBondContact O-N 2.98Å |
| 982 | C | 56 | Low | 50.2 | Low | 95 Ų | 95 | 134 Ų | 134 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.5 | -22 | -176.8 | -74.5 | 0 | 0 | 0 | 0 | 114.8 | V978 G979 | V978-C982 WeakPolarHBondContact O-CB 3.2Å; V978-C982 PolarHBondContact O-N 3.19Å; V978-C982 PolarHBondContact O-SG 3.28Å; G979-C982 PolarHBondContact O-N 3.41Å |
| 983 | V | 51.7 | Low | 48.5 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12.1 | -171.9 | 169 | 0 | 0 | 0 | 0 | 114.2 | G979 | G979-V983 VanDerWaalsContact O-CG2 3.24Å; G979-V983 WeakPolarHBondContact O-CG2 3.37Å; G979-V983 PolarHBondContact O-N 2.79Å |
| 984 | R | 39.8 | Very low | 46.7 | Very low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 59.9 | 179.9 | -79.9 | -171.3 | 167 | 156.4 | -2.8 | 115.7 | ||
| 985 | R | 33.9 | Very low | 45 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | trans | -166 | 105.6 | 160.3 | -112.1 | 169.5 | -171.4 | -164.9 | 3.2 | 114.3 | ||||
| 986 | R | 38.3 | Very low | 43.5 | Very low | 248 Ų | 248 | 140.4 Ų | 140.4 | 94% | 0.936 | 70% | 0.704 | S | S | * | * | trans | 173.6 | 159.2 | 139.3 | -97 | 171.2 | -168.2 | -114.7 | -0.2 | 112 | ||||
| 987 | P | 37.9 | Very low | 42 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | -141.9 | -149.1 | -120.3 | 43.1 | -21.6 | 0 | 0 | 0 | 115.5 | |||||
| 988 | T | 35.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | 88.3 | 145.6 | 172.2 | 75 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 989 | R | 32.8 | Very low | 39.1 | Very low | 218 Ų | 218 | 142.2 Ų | 142.2 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | cis | -161 | 168.4 | -15.7 | -110.9 | 179.4 | -179.4 | -176 | -0.1 | 109.3 | ||||
| 990 | Y | 31.9 | Very low | 37.7 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -18.8 | 156.8 | 164.8 | -59.9 | -87.8 | 0 | 0 | 0 | 119.4 | ||||
| 991 | T | 36.6 | Very low | 36.5 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | -159.1 | 151.7 | 22.6 | -16.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 992 | L | 31.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -24.2 | 138.8 | 158.2 | -173.3 | 141.1 | 0 | 0 | 0 | 120.3 | ||||
| 993 | A | 31.8 | Very low | 34.5 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 179.8 | 114.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 994 | R | 30.5 | Very low | 33.6 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | 75.3 | 118.1 | 122.3 | -157.5 | 173.1 | -164 | 174.8 | 7.3 | 123.1 | |||||
| 995 | N | 30.8 | Very low | 33.7 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 72.4 | 155.4 | 144 | -73.1 | 26.7 | 0 | 0 | 0 | 119.7 | ||||
| 996 | V | 32 | Very low | 33.6 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | -165 | 145.4 | -9.6 | 120.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 997 | T | 32.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 54.2 | 153.5 | 167.5 | 52.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 998 | G | 33.6 | Very low | 33.3 | Very low | 57 Ų | 57 | 129.1 Ų | 129.1 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | cis | -164.4 | 161.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 999 | T | 32.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | 43.8 | 119 | 99.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1000 | D | 33.1 | Very low | 33.2 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | cis | -146.8 | -177.8 | 19.4 | -78.5 | -50.1 | 0 | 0 | 0 | 114.3 | ||||
| 1001 | G | 31.4 | Very low | 33.2 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -75.9 | -167.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1002 | G | 31.2 | Very low | 33 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | 176 | -140.7 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1003 | V | 34.7 | Very low | 33 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 92% | 0.915 | 74% | 0.742 | S | S | * | * | trans | 75.9 | 100.6 | 171.4 | -170.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1004 | S | 34.2 | Very low | 33.1 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -79.2 | -165.1 | 164.1 | -34.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1005 | P | 41.4 | Very low | 33 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 84% | 0.844 | 74% | 0.74 | S | S | * | * | cis | -133.5 | -171.4 | -22.4 | 35.5 | -16.6 | 0 | 0 | 0 | 113.3 | ||||
| 1006 | G | 32.4 | Very low | 33 | Very low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | 159.9 | 103.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1007 | N | 34.3 | Very low | 33 | Very low | 170 Ų | 170 | 112.6 Ų | 112.6 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | 61.7 | 148.9 | 139 | -63.3 | 0.1 | 0 | 0 | 0 | 120.5 | ||||
| 1008 | A | 34.8 | Very low | 32.9 | Very low | 92 Ų | 92 | 115.4 Ų | 115.4 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | cis | -163.6 | 179.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1009 | A | 33.2 | Very low | 32.7 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | trans | 71.6 | 133.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1010 | T | 34 | Very low | 32.6 | Very low | 119 Ų | 119 | 117 Ų | 117 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | cis | 69.4 | 140.5 | 31.7 | 83.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1011 | T | 31.2 | Very low | 32.4 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -154.5 | 148.7 | 8.9 | -31.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1012 | F | 31.6 | Very low | 32.1 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | -168.6 | 146.9 | 63.4 | -85.4 | -88.4 | 0 | 0 | 0 | 107.5 | |||||
| 1013 | S | 32 | Very low | 32 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | 66.1 | 139 | 76.2 | -131.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 1014 | M | 33 | Very low | 31.7 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 80% | 0.803 | 71% | 0.713 | S | S | * | * | cis | -136.4 | 147.2 | 20.7 | -64.6 | 170.2 | 68.2 | 0 | 0 | 114 | ||||
| 1015 | D | 29.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | 13.9 | 150.1 | 122.4 | -53 | -45.6 | 0 | 0 | 0 | 119.6 | |||||
| 1016 | V | 31 | Very low | 30.9 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | cis | -156.9 | 142 | 3.7 | 107.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1017 | A | 31 | Very low | 30.7 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | 42.5 | 148.2 | 101.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1018 | K | 30.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 119.1 Ų | 119.1 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | cis | -157.2 | -157.2 | 0.6 | -141.1 | 173.2 | -176.1 | 179.6 | 0 | 109.2 | ||||
| 1019 | E | 30 | Very low | 30.2 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 54% | 0.537 | 71% | 0.711 | S | S | . | * | trans | 71.8 | 139.6 | -179.9 | -58.8 | -162.8 | -145.6 | 0 | 0 | 115.2 | G1255 | E1019-G1255 WeakPolarHBondContact OE2-CA 3.28Š| ||
| 1020 | N | 29.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | cis | -150.3 | 169.9 | -14.4 | -120.7 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 1021 | M | 28.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 127 Ų | 127 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | trans | 17.7 | 144.8 | 157.2 | -65.8 | 179.8 | -176.4 | 0 | 0 | 121.3 | ||||
| 1022 | S | 26.6 | Very low | 30.5 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | cis | 159.4 | 108.9 | -24 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1023 | T | 29.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -142.6 | 119.8 | 152.4 | 42.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1024 | N | 28.3 | Very low | 30.5 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | 87.3 | 150.1 | 61 | -161 | 7.2 | 0 | 0 | 0 | 112.5 | |||||
| 1025 | I | 31 | Very low | 30.5 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | trans | 87.7 | 93.2 | 171.5 | -50.6 | 175.6 | 0 | 0 | 0 | 118.6 | ||||
| 1026 | N | 27.3 | Very low | 30.7 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | 59.2 | 111.3 | 128.2 | -64.6 | -6.7 | 0 | 0 | 0 | 124.9 | |||||
| 1027 | S | 28.7 | Very low | 30.7 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | 67.3 | 108.4 | 119.5 | 75.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1028 | G | 29.1 | Very low | 31 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 101.9 | -172.3 | 105.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1029 | W | 29.4 | Very low | 31.1 | Very low | 250 Ų | 250 | 125.5 Ų | 125.5 | 95% | 0.947 | 74% | 0.737 | S | S | * | * | trans | 71.6 | 137.6 | 177.6 | -58.3 | 75.4 | 0 | 0 | 0 | 114.9 | ||||
| 1030 | S | 32.4 | Very low | 31.2 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | cis | -168.4 | 165.2 | 1.3 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1031 | S | 32.4 | Very low | 31.3 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | -164 | 149.6 | 123.4 | -85 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1032 | P | 39.5 | Very low | 31.5 | Very low | 98 Ų | 98 | 131 Ų | 131 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -141.1 | -166.1 | -134 | 32.5 | -8.3 | 0 | 0 | 0 | 116.9 | ||||
| 1033 | V | 32.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 90.1 | 135.7 | 159.6 | -172.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1034 | A | 32 | Very low | 31.8 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | cis | -165.2 | 128.4 | -27.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1035 | T | 31.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 53.4 | 98.2 | 127.6 | -42.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1036 | Y | 34.5 | Very low | 32 | Very low | 244 Ų | 244 | 129.8 Ų | 129.8 | 96% | 0.957 | 77% | 0.774 | S | S | * | * | -144.5 | 154.6 | 128.8 | -82.3 | -86 | 0 | 0 | 0 | 107.7 | |||||
| 1037 | G | 31.4 | Very low | 32.1 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 175.5 | 156.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1038 | A | 36.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 53.8 | 106.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1039 | N | 32.8 | Very low | 32.1 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | 23.8 | 123.6 | 128 | -64.7 | 2.8 | 0 | 0 | 0 | 118.2 | |||||
| 1040 | H | 33.3 | Very low | 32 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | -179.6 | 160.8 | 62.6 | -118.4 | 8.3 | 0 | 0 | 0 | 113.8 | |||||
| 1041 | F | 30.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 73.1 | 109.2 | 152 | -88.1 | -119.4 | 0 | 0 | 0 | 123.4 | ||||
| 1042 | I | 33.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 127.7 | 139.3 | -57.5 | -177.4 | 0 | 0 | 0 | 119.5 | ||||
| 1043 | P | 30.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | trans | -94.4 | 161.5 | 178.5 | 38.4 | -36 | 0 | 0 | 0 | 114.6 | ||||
| 1044 | G | 31.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -150.9 | 147.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1045 | Q | 34 | Very low | 31.2 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -79.3 | 140.5 | -163.5 | -73.8 | 169.6 | -80.3 | 0 | 0 | 115.5 | ||||
| 1046 | A | 29.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 31.9 | 96.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1047 | N | 28.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | -132.3 | 141.4 | 156.3 | -169.8 | 11.2 | 0 | 0 | 0 | 108.2 | ||||
| 1048 | G | 30.5 | Very low | 30.7 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 152.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1049 | G | 27.8 | Very low | 30.2 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 99.2 | 127.3 | 2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1050 | N | 28 | Very low | 29.9 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 143.5 | 172.8 | -64.6 | -6.9 | 0 | 0 | 0 | 116.2 | ||||
| 1051 | S | 27 | Very low | 29.6 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | 165.5 | -178.3 | -17.7 | 50.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1052 | I | 28.4 | Very low | 29.4 | Very low | 157 Ų | 157 | 129 Ų | 129 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | 64.2 | 149.9 | 176.7 | -12.7 | 177.8 | 0 | 0 | 0 | 111.5 | ||||
| 1053 | I | 31.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | cis | -132.7 | 143.4 | 5 | -44.2 | 155.2 | 0 | 0 | 0 | 104 | ||||
| 1054 | E | 30.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | -156.4 | 133.8 | 70.9 | -77.8 | 169.9 | 168.1 | 0 | 0 | 111.6 | |||||
| 1055 | D | 33.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | 48.6 | 140.3 | 124.6 | -50.8 | -11.7 | 0 | 0 | 0 | 121.6 | |||||
| 1056 | G | 30.6 | Very low | 28.9 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 136 | 117.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1057 | Q | 29.6 | Very low | 28.8 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | 66.6 | 159.6 | 165.3 | -71.7 | -179.9 | 26.5 | 0 | 0 | 116.3 | ||||
| 1058 | M | 27.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | -150.4 | 142.5 | -4.8 | -120.2 | -138.1 | -63.1 | 0 | 0 | 111.1 | ||||
| 1059 | F | 25.4 | Very low | 28.7 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 122.5 | 138.3 | -88.3 | -120.6 | 0 | 0 | 0 | 125.4 | ||||
| 1060 | T | 26.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 70.2 | 127.1 | 134.3 | 50.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1061 | A | 27.1 | Very low | 28.8 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 73.2 | 157.8 | 126.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1062 | L | 26.6 | Very low | 29 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | cis | -165.2 | 147 | -21 | -109 | 171.3 | 0 | 0 | 0 | 107.4 | ||||
| 1063 | Y | 27.9 | Very low | 28.9 | Very low | 224 Ų | 224 | 131.1 Ų | 131.1 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | 60.2 | 162.7 | 176.1 | -57.2 | -72.6 | 0 | 0 | 0 | 115.3 | ||||
| 1064 | G | 29 | Very low | 28.7 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | cis | 152.2 | 123.7 | -10.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1065 | H | 31.8 | Very low | 28.5 | Very low | 204 Ų | 204 | 128 Ų | 128 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | trans | 61.4 | 163 | -175 | -54.1 | -60.7 | 0 | 0 | 0 | 114.5 | ||||
| 1066 | G | 29.1 | Very low | 28.3 | Very low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | 144.1 | 116.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1067 | G | 28.9 | Very low | 28.6 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 89 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1068 | V | 29.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | cis | -176.8 | 157.9 | -23.8 | 121.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1069 | M | 27 | Very low | 29 | Very low | 174 Ų | 174 | 124.3 Ų | 124.3 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | 67.3 | 147.6 | 176.9 | -70 | 178.6 | -145.2 | 0 | 0 | 118.6 | ||||
| 1070 | G | 29.4 | Very low | 29.4 | Very low | 74 Ų | 74 | 122.1 Ų | 122.1 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 165 | 58.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1071 | Y | 29 | Very low | 29.7 | Very low | 225 Ų | 225 | 121.1 Ų | 121.1 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -11.5 | 136.3 | 167.6 | -62.2 | -94 | 0 | 0 | 0 | 120.4 | ||||
| 1072 | G | 29.7 | Very low | 29.9 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 178.2 | 98.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1073 | A | 27.5 | Very low | 30 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -115.1 | -165.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1074 | V | 26.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 91.6 | 135 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1075 | M | 26.1 | Very low | 30 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | cis | -174.2 | 160 | -25.7 | -110.8 | 166.3 | 64.2 | 0 | 0 | 110.3 | ||||
| 1076 | S | 29.9 | Very low | 30 | Very low | 91 Ų | 91 | 122.4 Ų | 122.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 64.6 | 168.8 | 147.1 | 66.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1077 | P | 37.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -103 | 156.6 | -9.2 | 14.6 | 8.2 | 0 | 0 | 0 | 112.2 | ||||
| 1078 | S | 30.5 | Very low | 30.3 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | 87 | 116.6 | 35.3 | 85.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1079 | D | 32.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -156.6 | 103.5 | 140.9 | -112.8 | -16.9 | 0 | 0 | 0 | 114.9 | ||||
| 1080 | T | 34.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 39.8 | 141.3 | 149.7 | 67.5 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1081 | A | 33.4 | Very low | 30.2 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 133.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1082 | S | 31.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -174.5 | 163.2 | 0.9 | -97.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1083 | L | 28.4 | Very low | 30.5 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -167.2 | 173.6 | -8.9 | -115.7 | 171.7 | 0 | 0 | 0 | 109.4 | ||||
| 1084 | I | 29.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 130 Ų | 130 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 65.3 | 105 | 161 | -66.8 | 161.9 | 0 | 0 | 0 | 116.4 | ||||
| 1085 | Y | 28.1 | Very low | 30.7 | Very low | 214 Ų | 214 | 131 Ų | 131 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | 71.4 | 139.7 | 81.7 | -87.8 | -154.6 | 0 | 0 | 0 | 114.6 | |||||
| 1086 | V | 29.7 | Very low | 30.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -147.7 | 170.2 | 10.7 | -108.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1087 | P | 34.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -120.6 | 180 | -169.2 | 44.5 | -34.5 | 0 | 0 | 0 | 116.4 | ||||
| 1088 | Q | 30.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 179.2 | 142.8 | 141.4 | -94.3 | 160.5 | 16.6 | 0 | 0 | 108.4 | ||||
| 1089 | A | 27.2 | Very low | 30.7 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | cis | 79.4 | 140.7 | 43.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1090 | Q | 26.7 | Very low | 30.5 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -165.6 | -167.4 | 2 | -134.9 | 175.9 | -2.3 | 0 | 0 | 111.8 | ||||
| 1091 | T | 29.9 | Very low | 30.4 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 75 | 154.8 | 164.3 | 68.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1092 | T | 27.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -140.1 | -160.3 | -167.9 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1093 | P | 37.7 | Very low | 30.2 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -108.4 | 170.1 | -131.9 | 38.5 | -21.2 | 0 | 0 | 0 | 115.8 | ||||
| 1094 | N | 30.7 | Very low | 30.4 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 169.1 | 154.5 | 163 | -96 | -20.7 | 0 | 0 | 0 | 109.4 | ||||
| 1095 | I | 29.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 68% | 0.677 | 78% | 0.776 | S | S | * | * | cis | -165.2 | 157.5 | -12.6 | -136.9 | 170.5 | 0 | 0 | 0 | 110.3 | ||||
| 1096 | I | 28.3 | Very low | 31 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 59.2 | 117.3 | 160.4 | -64.3 | 168.3 | 0 | 0 | 0 | 121.3 | ||||
| 1097 | G | 29.9 | Very low | 31.6 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | 82.7 | 167.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1098 | S | 32.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | cis | -171.8 | 135.3 | -19.9 | -164 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1099 | L | 31.2 | Very low | 31.1 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | 59.4 | 154.5 | 163.5 | -62.1 | 160.8 | 0 | 0 | 0 | 118.2 | ||||
| 1100 | G | 30 | Very low | 31 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | cis | 164.6 | 142.4 | -10 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1101 | G | 32 | Very low | 31 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 82.8 | 166.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1102 | S | 29.9 | Very low | 30.7 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -164.6 | 159.2 | -12.3 | -159.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1103 | M | 30.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 64.3 | 91.1 | 147.7 | -79.9 | 162.6 | 174.1 | 0 | 0 | 123.4 | ||||
| 1104 | T | 32.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 63.2 | -179.3 | 114.5 | 65.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1105 | P | 38.8 | Very low | 31 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | -138.7 | -151 | -108.3 | 38.4 | -12.4 | 0 | 0 | 0 | 114.7 | |||||
| 1106 | V | 31.5 | Very low | 31 | Very low | 131 Ų | 131 | 119 Ų | 119 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 91.5 | 131.3 | 168.9 | -172.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1107 | P | 41.9 | Very low | 31.1 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -98.2 | 176.8 | -176.4 | 40.6 | -37.3 | 0 | 0 | 0 | 113.2 | ||||
| 1108 | V | 28.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | -169.3 | 134.8 | 143.3 | 130.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1109 | D | 26.3 | Very low | 31.5 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 41.9 | 130.3 | 147.6 | -58 | -11.4 | 0 | 0 | 0 | 126.5 | ||||
| 1110 | L | 25.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | 71.5 | 165.1 | 129.4 | -91.9 | 78.3 | 0 | 0 | 0 | 123.1 | |||||
| 1111 | T | 25 | Very low | 31.6 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 64.1 | 98.8 | 160.8 | 42.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1112 | T | 24.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 130 Ų | 130 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | 51.9 | 111.7 | 90.1 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1113 | T | 26 | Very low | 31.6 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | -174.3 | 144 | 97.5 | 34.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1114 | S | 39.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -86.5 | 127.8 | 155.9 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1115 | P | 35.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 59% | 0.591 | 72% | 0.717 | S | S | * | * | trans | -135.3 | 163.9 | 136.9 | 13.3 | 9.4 | 0 | 0 | 0 | 111.1 | ||||
| 1116 | D | 28.8 | Very low | 31 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | cis | -165.3 | 138.8 | -9.2 | -112.6 | -8.4 | 0 | 0 | 0 | 110.1 | ||||
| 1117 | Y | 32.2 | Very low | 30.9 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | 59.4 | 168.6 | 137.4 | -79.4 | -125.8 | 0 | 0 | 0 | 120.3 | ||||
| 1118 | P | 38.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | cis | -125.6 | -169.4 | -39.4 | 39.2 | -21.9 | 0 | 0 | 0 | 110 | ||||
| 1119 | S | 32.4 | Very low | 30.3 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -168.6 | 152.7 | 25.6 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1120 | R | 30.4 | Very low | 30.3 | Very low | 220 Ų | 220 | 131.9 Ų | 131.9 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | 51.9 | 141.2 | 133 | -67.1 | -176 | 169.8 | 163.3 | -2.1 | 118.8 | ||||
| 1121 | N | 30.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | cis | -167.9 | 167.4 | 8.1 | -104.3 | -11 | 0 | 0 | 0 | 106.2 | ||||
| 1122 | H | 32.1 | Very low | 30.4 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | cis | -155.1 | 153.2 | 4.1 | -116.6 | -41.2 | 0 | 0 | 0 | 108.7 | ||||
| 1123 | M | 30.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -76.6 | 155.2 | 150.7 | -70.2 | 172.6 | -81.7 | 0 | 0 | 109.4 | ||||
| 1124 | H | 30.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | 172.7 | 122.6 | 118.8 | -83.5 | -54.8 | 0 | 0 | 0 | 109.9 | |||||
| 1125 | T | 30.1 | Very low | 30.5 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | 77 | 134.7 | 70.9 | -36.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1126 | F | 29 | Very low | 30.5 | Very low | 204 Ų | 204 | 138 Ų | 138 | 90% | 0.895 | 72% | 0.723 | S | S | * | * | trans | 66.6 | 138.3 | 175.9 | -47.7 | -68.8 | 0 | 0 | 0 | 115.6 | ||||
| 1127 | G | 28.7 | Very low | 30.8 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | cis | 154 | 169.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1128 | T | 29.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | 21.9 | 105.4 | 154.9 | 54.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1129 | L | 27.5 | Very low | 30.4 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | -168.6 | 97.7 | 122.6 | -93.3 | 147.4 | 0 | 0 | 0 | 105.1 | |||||
| 1130 | T | 26.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 135 Ų | 135 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | 53.5 | 147.9 | 60.3 | 88.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1131 | R | 26.1 | Very low | 30.4 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | 77.9 | 143.6 | 170.6 | -68.9 | -175.6 | 159.4 | -167.8 | -2 | 115.9 | ||||
| 1132 | T | 28.4 | Very low | 30.3 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | cis | -157.8 | 141.7 | 0.6 | 6.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1133 | R | 28.3 | Very low | 30.2 | Very low | 222 Ų | 222 | 130.1 Ų | 130.1 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 63.8 | 154.9 | 143.1 | -66.1 | 165.7 | 178.5 | 154.5 | -6.9 | 117.9 | ||||
| 1134 | G | 31.6 | Very low | 30.6 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | -132.4 | 162.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1135 | S | 30.9 | Very low | 31 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 58.5 | 120.2 | 78.5 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1136 | V | 35.5 | Very low | 31.1 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | cis | -145 | 155.4 | 39.3 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1137 | G | 36.3 | Very low | 31.2 | Very low | 58 Ų | 58 | 123.4 Ų | 123.4 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | cis | -156.7 | 168.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1138 | Q | 30.3 | Very low | 31.3 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | 57.9 | 131.9 | 89.1 | -69.1 | -175.8 | -17.5 | 0 | 0 | 114.4 | |||||
| 1139 | S | 31.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -161.2 | 133.5 | 13.6 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1140 | V | 28.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | 86.8 | 150.7 | 101.1 | -179.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1141 | F | 34.2 | Very low | 31.7 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | 74.9 | 118.7 | -176.7 | -54.2 | -70.9 | 0 | 0 | 0 | 115.3 | ||||
| 1142 | A | 29.2 | Very low | 32.1 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 88.6 | 95 | 9.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1143 | A | 30.5 | Very low | 32.5 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | 51.9 | 175.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1144 | P | 39.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -121.4 | -107.5 | -9 | 21.2 | 5.7 | 0 | 0 | 0 | 115.4 | ||||
| 1145 | P | 38 | Very low | 33 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | -129.2 | 171.3 | -126 | 41.8 | -23.5 | 0 | 0 | 0 | 117.4 | |||||
| 1146 | G | 33.5 | Very low | 33.2 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -178.4 | 142.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1147 | C | 29.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | trans | -118.5 | 127.1 | 177.6 | -60 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1148 | A | 31 | Very low | 33.4 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -164.3 | 113.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1149 | I | 30.2 | Very low | 34.1 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | 43.7 | 105.1 | 129.2 | -53.3 | 171.4 | 0 | 0 | 0 | 119.5 | |||||
| 1150 | A | 28.2 | Very low | 34.2 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 50.3 | 120.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1151 | Y | 33.4 | Very low | 34.9 | Very low | 241 Ų | 241 | 120.7 Ų | 120.7 | 95% | 0.945 | 75% | 0.746 | S | S | * | * | -159.4 | 163 | 124.5 | -109.7 | -77.1 | 0 | 0 | 0 | 110 | |||||
| 1152 | E | 35 | Very low | 35.2 | Very low | 51 Ų | 51 | 116.5 Ų | 116.5 | 24% | 0.238 | 74% | 0.741 | C | S | . | * | trans | -155.8 | 141.5 | -178.6 | 176.2 | -109.5 | -138.9 | 0 | 0 | 104 | N1440 P1441 E1442 | E1152-N1440 VanDerWaalsContact CD-ND2 3.33Å; E1152-N1440 PolarHBondContact OE1-ND2 2.67Å; E1152-N1440 PolarHBondContact OE2-ND2 2.74Å; E1152-P1441 HydrophobicContact CB-CB 3.97Å; E1152-P1441 HydrophobicContact CG-CB 3.48Å; E1152-P1441 VanDerWaalsContact CG-CB 3.48Å; E1152-P1441 WeakPolarHBondContact OE1-CA 3.44Å; E1152-P1441 WeakPolarHBondContact OE1-CB 3.41Å; E1152-E1442 HydrophobicContact CG-CB 4.5Å; E1152-E1442 VanDerWaalsContact CG-CD 3.43Å; E1152-E1442 HydrophobicContact CG-CG 3.77Å; E1152-E1442 PolarHBondContact OE1-N 3.25Å | ||
| 1153 | P | 36.4 | Very low | 35.5 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | cis | -146.9 | -179.1 | 37.1 | 45 | -25.6 | 0 | 0 | 0 | 119.3 | ||||
| 1154 | H | 34.9 | Very low | 35.7 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 51% | 0.505 | 75% | 0.752 | S | S | . | * | trans | 60.6 | 148.8 | 144.6 | -73.6 | -36.4 | 0 | 0 | 0 | 123.2 | E1442 Q1444 | H1154-E1442 PolarHBondContact N-OE1 2.7Å; H1154-Q1444 VanDerWaalsContact CE1-CD 3.46Å | ||
| 1155 | L | 36.4 | Very low | 35.5 | Very low | 145 Ų | 145 | 121.4 Ų | 121.4 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 80.1 | 106.4 | 161.1 | -69.2 | 165.3 | 0 | 0 | 0 | 120 | ||||
| 1156 | D | 35 | Very low | 35.7 | Very low | 145 Ų | 145 | 121.4 Ų | 121.4 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 62.4 | 149.5 | 123.2 | -60.2 | 4.3 | 0 | 0 | 0 | 124.2 | |||||
| 1157 | A | 39 | Very low | 35.7 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 83.6 | 106.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1158 | D | 37.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 71.8 | 110.7 | 127.5 | -84.4 | -58 | 0 | 0 | 0 | 124.1 | |||||
| 1159 | S | 43.2 | Very low | 36 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | 70 | 146.1 | 110.2 | -62.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1160 | G | 35.3 | Very low | 36 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 142.6 | 93.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1161 | D | 42 | Very low | 36.1 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | 86.3 | 143.6 | 57.8 | -173.4 | 45.7 | 0 | 0 | 0 | 115.2 | |||||
| 1162 | S | 41.1 | Very low | 36 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 113.8 | 136.6 | 147.2 | 77.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1163 | G | 35.6 | Very low | 35.5 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | 104 | 101.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1164 | R | 35.4 | Very low | 35.1 | Very low | 259 Ų | 259 | 131.7 Ų | 131.7 | 98% | 0.977 | 77% | 0.768 | S | S | * | * | cis | 86.7 | 104.7 | 17.5 | -159.7 | -167.5 | -167 | -167 | 7.7 | 116.4 | ||||
| 1165 | G | 34.2 | Very low | 34.7 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 157 | 138.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1166 | P | 43 | Very low | 34.5 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -121.7 | -163 | -174.4 | 44.4 | -32.4 | 0 | 0 | 0 | 114.8 | ||||
| 1167 | S | 33.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 76.2 | 155.8 | 172.2 | 95.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1168 | E | 32.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | cis | -164.1 | 165.3 | -17.2 | -122 | 168.6 | -178.9 | 0 | 0 | 109.3 | ||||
| 1169 | E | 33.4 | Very low | 33.4 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 59.6 | 146.8 | 166.1 | -61.1 | -172.5 | 161.6 | 0 | 0 | 120.8 | ||||
| 1170 | G | 31.5 | Very low | 32.7 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 128.6 | 50.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1171 | N | 29.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | 72.2 | 131.3 | 67.9 | -144.7 | -10.2 | 0 | 0 | 0 | 114.2 | |||||
| 1172 | Q | 29.9 | Very low | 31.6 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 76.9 | 124.9 | 175.8 | -57.6 | 165.1 | 27.1 | 0 | 0 | 117 | ||||
| 1173 | F | 26 | Very low | 31 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | cis | 98.9 | 143.5 | 39.5 | -102.3 | -80.8 | 0 | 0 | 0 | 113.8 | ||||
| 1174 | L | 27.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 70.8 | 114.1 | 168.4 | -58.8 | 154.1 | 0 | 0 | 0 | 114.5 | ||||
| 1175 | L | 26.1 | Very low | 30.8 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | 66.3 | 112.9 | 70 | -81 | 159.1 | 0 | 0 | 0 | 114.1 | |||||
| 1176 | S | 32.9 | Very low | 30.8 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | 36.6 | 115.8 | 142.1 | 62.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1177 | D | 27.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | -148 | 134.1 | 111.6 | -96.4 | -24.2 | 0 | 0 | 0 | 107.9 | |||||
| 1178 | N | 31.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | 72.8 | 154.8 | 57.4 | -69.7 | -51.9 | 0 | 0 | 0 | 114.5 | |||||
| 1179 | Y | 29.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | 77.5 | 143.1 | 171.1 | -53.5 | -61 | 0 | 0 | 0 | 116.5 | ||||
| 1180 | R | 28.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | cis | -151.2 | 138.1 | 2.1 | -133.4 | 154.3 | -160.5 | 142.2 | 5 | 114.2 | ||||
| 1181 | N | 28.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 13 | 137.5 | 143.9 | -46.2 | 0.3 | 0 | 0 | 0 | 119.7 | ||||
| 1182 | G | 26.9 | Very low | 30.2 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -166.2 | 10.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1183 | M | 27.7 | Very low | 30.1 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | trans | 46.7 | 105.5 | 163.6 | -59.1 | 179.4 | -68.6 | 0 | 0 | 119.9 | ||||
| 1184 | N | 32.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | 176 | 150.2 | 96.5 | -92.6 | -33.9 | 0 | 0 | 0 | 116.7 | |||||
| 1185 | I | 34.2 | Very low | 30.2 | Very low | 157 Ų | 157 | 136 Ų | 136 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | trans | -84.8 | 165.5 | 178.2 | -72.6 | 158 | 0 | 0 | 0 | 110.1 | ||||
| 1186 | P | 35.1 | Very low | 30.3 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | cis | -123.6 | -175.5 | 3.8 | 23.6 | 0.7 | 0 | 0 | 0 | 115.2 | ||||
| 1187 | G | 31.2 | Very low | 30 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -164.5 | -29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1188 | Q | 32.5 | Very low | 30 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 72.2 | 136 | 172.3 | -105.7 | 177.9 | -43.3 | 0 | 0 | 120.5 | ||||
| 1189 | H | 34.1 | Very low | 30 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 57.6 | 122 | 164.1 | -60.2 | -68.7 | 0 | 0 | 0 | 119.3 | ||||
| 1190 | G | 32.2 | Very low | 30 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 83.9 | 144.1 | 7.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1191 | T | 31.5 | Very low | 30 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 161.4 | 19.2 | 42.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1192 | Y | 30.2 | Very low | 30.3 | Very low | 179 Ų | 179 | 143 Ų | 143 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -160.5 | 164 | 0.8 | -102.5 | -25.6 | 0 | 0 | 0 | 108.6 | ||||
| 1193 | Q | 26.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 59% | 0.593 | 78% | 0.775 | S | S | * | * | 40.1 | 141.1 | 95.8 | -46.7 | 177.9 | -49.3 | 0 | 0 | 115.8 | |||||
| 1194 | Y | 29.6 | Very low | 30.3 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | cis | -149.1 | 169 | 43.9 | -95.7 | -90.3 | 0 | 0 | 0 | 116.3 | ||||
| 1195 | N | 25.8 | Very low | 30.1 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 157.8 | 174.2 | -46.5 | -28.3 | 0 | 0 | 0 | 113.1 | ||||
| 1196 | T | 28.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | 160.6 | 136.9 | 106.3 | 48.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1197 | Y | 27 | Very low | 29.6 | Very low | 216 Ų | 216 | 143 Ų | 143 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 51.1 | 131.7 | 141.9 | -83.8 | -93.7 | 0 | 0 | 0 | 124.7 | ||||
| 1198 | S | 27.9 | Very low | 29.6 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 74.9 | 160 | 144.9 | 81.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1199 | G | 29.9 | Very low | 29.5 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 135.6 | 83.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1200 | Y | 30.6 | Very low | 29.2 | Very low | 229 Ų | 229 | 153.1 Ų | 153.1 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -83.1 | 156.5 | 171.4 | -124.3 | -85.9 | 0 | 0 | 0 | 111.9 | ||||
| 1201 | R | 28.3 | Very low | 29.2 | Very low | 234 Ų | 234 | 157.2 Ų | 157.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | 82.8 | 156 | 164.6 | -67.9 | -168.5 | 171.9 | -151.7 | -3.5 | 119.2 | ||||
| 1202 | P | 33.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -121.7 | -178.6 | -155 | 43.2 | -30.1 | 0 | 0 | 0 | 115.8 | ||||
| 1203 | S | 25.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 154 Ų | 154 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 97.6 | 142 | 156.5 | 82.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1204 | S | 28.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 132.9 | 162.2 | 82.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1205 | R | 29.5 | Very low | 30.2 | Very low | 227 Ų | 227 | 151.6 Ų | 151.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 59.7 | 105.8 | 153.1 | -71.6 | -172.3 | 169.5 | -159.7 | -2.9 | 122.6 | ||||
| 1206 | I | 28.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 46.4 | 114.1 | 112.5 | -57.5 | 167.1 | 0 | 0 | 0 | 118 | |||||
| 1207 | G | 29.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 152 Ų | 152 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -157.4 | 135.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1208 | Y | 30.4 | Very low | 31.1 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -110.1 | 174 | -173 | -100.4 | -94 | 0 | 0 | 0 | 112.8 | ||||
| 1209 | Y | 30.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | 86.2 | 136.7 | 166 | -60.2 | -76.5 | 0 | 0 | 0 | 117.1 | ||||
| 1210 | R | 29.4 | Very low | 31.3 | Very low | 218 Ų | 218 | 148.6 Ų | 148.6 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | cis | -159.6 | 153.8 | -12.4 | -147.6 | 175.7 | -151.7 | 179.7 | 6.5 | 111.2 | ||||
| 1211 | N | 31.2 | Very low | 31.4 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 164.3 | 170.5 | -105.7 | 4.9 | 0 | 0 | 0 | 113.2 | ||||
| 1212 | P | 35.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | -134.8 | 172.7 | 108.2 | 38.6 | -28.6 | 0 | 0 | 0 | 115.9 | |||||
| 1213 | S | 34.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -82.5 | 178.9 | -171.4 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1214 | L | 33.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | -166.8 | 172.2 | 50.5 | -159.2 | 66.9 | 0 | 0 | 0 | 113.9 | |||||
| 1215 | D | 36.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 83.3 | 87.3 | 157.7 | -69.4 | -44.3 | 0 | 0 | 0 | 123.7 | ||||
| 1216 | N | 32.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | 73.3 | 128.7 | 107.8 | -83.2 | -49 | 0 | 0 | 0 | 124.7 | |||||
| 1217 | T | 35.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | 61.3 | 138.1 | 152.5 | 58.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1218 | G | 31 | Very low | 31.4 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | cis | 153.9 | 122.4 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1219 | S | 32.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | -162.4 | 157.6 | 158 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1220 | L | 29.7 | Very low | 31.5 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -144.2 | 137 | -169.1 | -93.3 | 163.4 | 0 | 0 | 0 | 112.9 | K1222 | L1220-K1222 HydrophobicContact CD2-CB 4.44Š| ||
| 1221 | T | 33 | Very low | 32.1 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 95% | 0.951 | 77% | 0.77 | S | S | * | * | trans | -152.1 | 135.2 | 139.9 | 7.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1222 | K | 29.9 | Very low | 32.3 | Very low | 163 Ų | 163 | 131 Ų | 131 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -138.2 | 138.2 | -158.5 | -169.5 | 179.5 | -178.2 | -176.7 | 0 | 113 | L1220 | L1220-K1222 HydrophobicContact CD2-CB 4.44Š| ||
| 1223 | I | 27.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -129.1 | 145.5 | 168.5 | -75.2 | 176.6 | 0 | 0 | 0 | 108.1 | ||||
| 1224 | H | 33.9 | Very low | 32.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 70.7 | 140.1 | 174.8 | -77.7 | 111.8 | 0 | 0 | 0 | 122 | ||||
| 1225 | S | 28.5 | Very low | 32.2 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 50.8 | 103.8 | 149.7 | 57.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1226 | I | 26.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | 41 | 115.1 | 119.2 | -55.3 | 169.8 | 0 | 0 | 0 | 120.8 | |||||
| 1227 | A | 28.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 174.5 | 162.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1228 | C | 28.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -130.1 | 177.3 | -173.8 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1229 | Q | 31.1 | Very low | 30.9 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -170.6 | 146.7 | 43 | -118.6 | -175.8 | 15.3 | 0 | 0 | 114.7 | ||||
| 1230 | N | 33 | Very low | 30.6 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | 60.4 | 167.8 | 133.7 | -71.2 | -1.3 | 0 | 0 | 0 | 124.9 | ||||
| 1231 | P | 40.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -137.8 | -171.3 | -19.9 | 31.1 | -8.2 | 0 | 0 | 0 | 116.5 | ||||
| 1232 | T | 36.4 | Very low | 30 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 139.3 | 171 | 146.8 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1233 | P | 36.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -138 | 125.4 | -97.5 | 36.2 | -13.2 | 0 | 0 | 0 | 118.6 | |||||
| 1234 | G | 33.3 | Very low | 30 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | 79.2 | 123 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1235 | G | 29.9 | Very low | 29.9 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -170.5 | -166.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1236 | S | 27.1 | Very low | 29.8 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | trans | 53.8 | 62.6 | 175.7 | 66.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1237 | C | 30.8 | Very low | 29.9 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 92% | 0.919 | 76% | 0.762 | S | S | * | * | -140 | 113.7 | 129.8 | -98.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1238 | A | 26.1 | Very low | 29.8 | Very low | 58 Ų | 58 | 124.5 Ų | 124.5 | 48% | 0.479 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 123.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y1240 | A1238-Y1240 HydrophobicContact CB-CD1 3.99Å; A1238-Y1240 HydrophobicContact CB-CD2 4.41Å; A1238-Y1240 HydrophobicContact CB-CE1 3.64Å; A1238-Y1240 HydrophobicContact CB-CE2 4.08Å; A1238-Y1240 HydrophobicContact CB-CG 4.38Å; A1238-Y1240 WeakPolarHBondContact O-CD2 3.49Å; A1238-Y1240 WeakPolarHBondContact O-CE2 3.33Å |
| 1239 | C | 26.7 | Very low | 29.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 93% | 0.926 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129 | 144.2 | -58.4 | 0 | 0 | 0 | 0 | 106.9 | ||
| 1240 | Y | 26.5 | Very low | 29.6 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 147.3 | 178.4 | -56.7 | -82.6 | 0 | 0 | 0 | 108.7 | A1238 | A1238-Y1240 HydrophobicContact CB-CD1 3.99Å; A1238-Y1240 HydrophobicContact CB-CD2 4.41Å; A1238-Y1240 HydrophobicContact CB-CE1 3.64Å; A1238-Y1240 HydrophobicContact CB-CE2 4.08Å; A1238-Y1240 HydrophobicContact CB-CG 4.38Å; A1238-Y1240 WeakPolarHBondContact O-CD2 3.49Å; A1238-Y1240 WeakPolarHBondContact O-CE2 3.33Å |
| 1241 | I | 23.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | cis | -158.6 | 134.6 | -4.5 | -115.2 | 167.4 | 0 | 0 | 0 | 104.5 | ||||
| 1242 | V | 26.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | 56.9 | 131.8 | 83 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1243 | S | 26.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | cis | -135.1 | 178.9 | 2.5 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1244 | D | 30.4 | Very low | 27.7 | Very low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | -141.1 | 127 | 54.2 | -113.9 | 22.8 | 0 | 0 | 0 | 115.5 | |||||
| 1245 | N | 31.9 | Very low | 27.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 55.1 | 95 | 135.3 | -60 | -31.9 | 0 | 0 | 0 | 120.4 | ||||
| 1246 | T | 26.9 | Very low | 27.5 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | -45.9 | 150.8 | 121.7 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1247 | I | 27.5 | Very low | 27.6 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | cis | -137.6 | 147.6 | 44.3 | -67.3 | 168.2 | 0 | 0 | 0 | 111.1 | ||||
| 1248 | I | 25.9 | Very low | 27.7 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | trans | -112.5 | 145.6 | -179.5 | -84.7 | 176.4 | 0 | 0 | 0 | 110.2 | ||||
| 1249 | Q | 26.5 | Very low | 28 | Very low | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | trans | 73.8 | 161.3 | 161.8 | -84 | 163.6 | 32.1 | 0 | 0 | 117.8 | ||||
| 1250 | P | 28.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | cis | -131.8 | 137.5 | 21.4 | 32.9 | -11.1 | 0 | 0 | 0 | 120.1 | ||||
| 1251 | V | 26.9 | Very low | 28.8 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | 75.7 | 130.4 | 122.6 | 176.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1252 | A | 27.1 | Very low | 29.2 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | trans | 83.6 | 115.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1253 | Q | 27 | Very low | 29.4 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | 93.3 | 120.9 | 122.2 | -77.1 | -177.1 | -12 | 0 | 0 | 122.6 | |||||
| 1254 | Y | 26.9 | Very low | 29.7 | Very low | 217 Ų | 217 | 128.2 Ų | 128.2 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | 47.2 | 122.5 | 145.1 | -71.5 | -76.2 | 0 | 0 | 0 | 120.9 | ||||
| 1255 | G | 28.9 | Very low | 29.9 | Very low | 41 Ų | 41 | 130.1 Ų | 130.1 | 42% | 0.423 | 73% | 0.729 | S | S | . | * | trans | -155 | -28 | 169 | 0 | 0 | 0 | 0 | 0 | 122.5 | E1019 | E1019-G1255 WeakPolarHBondContact OE2-CA 3.28Š| ||
| 1256 | N | 30.3 | Very low | 30.3 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 64.2 | 125 | 174.1 | -85.3 | -6.2 | 0 | 0 | 0 | 119.5 | ||||
| 1257 | N | 29.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | 82.6 | 138.9 | 127.7 | -61.7 | -9.7 | 0 | 0 | 0 | 123.6 | |||||
| 1258 | N | 32.9 | Very low | 30.8 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 80.7 | 116.5 | 147.6 | -59.9 | -14.8 | 0 | 0 | 0 | 121.3 | ||||
| 1259 | G | 31.2 | Very low | 31.2 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | trans | -84.2 | -139 | 143.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1260 | P | 38.4 | Very low | 31.5 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | cis | -137.1 | -174.1 | -0.5 | 43.2 | -26.1 | 0 | 0 | 0 | 115 | ||||
| 1261 | G | 31.6 | Very low | 32 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | 84.8 | 169.8 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1262 | I | 32.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | cis | -138.9 | 151.9 | -1.7 | -64.5 | -178.3 | 0 | 0 | 0 | 108.9 | ||||
| 1263 | A | 29.7 | Very low | 32.5 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | trans | -72.6 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1264 | Y | 32.5 | Very low | 32.9 | Very low | 236 Ų | 236 | 132.1 Ų | 132.1 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -151 | 132.8 | 141.3 | -104.1 | -73 | 0 | 0 | 0 | 112.8 | ||||
| 1265 | H | 35.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | -92 | -170.4 | 173.9 | -108.5 | -68.2 | 0 | 0 | 0 | 110.4 | ||||
| 1266 | P | 39.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -125.2 | -138.3 | -22 | 28.6 | -2.9 | 0 | 0 | 0 | 109.1 | ||||
| 1267 | E | 31 | Very low | 33.3 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | cis | -162.1 | -176.3 | -7.8 | -144.8 | -171.9 | 121.2 | 0 | 0 | 110.6 | ||||
| 1268 | H | 34.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | trans | 74.5 | 142.9 | 157.2 | -61.4 | -26.6 | 0 | 0 | 0 | 119.2 | ||||
| 1269 | A | 34.3 | Very low | 33 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | -160.5 | 162.2 | -15.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1270 | S | 32.2 | Very low | 33.1 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -98 | 170.9 | 177.1 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1271 | P | 40.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -140.9 | 139.7 | 100.3 | 37.5 | -24.3 | 0 | 0 | 0 | 112.9 | |||||
| 1272 | Q | 32.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 53.4 | 107.4 | 73.1 | -73.7 | -161.6 | -1.9 | 0 | 0 | 116.6 | |||||
| 1273 | K | 32.3 | Very low | 32.4 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -161.2 | 112.8 | 130.7 | -124.4 | 175.6 | 178.5 | 178.8 | 0 | 115.9 | ||||
| 1274 | I | 34.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 147.9 Ų | 147.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 42.1 | 112.3 | 128.8 | -51.4 | 177.2 | 0 | 0 | 0 | 118.6 | |||||
| 1275 | M | 30.8 | Very low | 32.5 | Very low | 174 Ų | 174 | 144 Ų | 144 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | 31.3 | 161.5 | 112.4 | -97.4 | -178.9 | -174.6 | 0 | 0 | 121 | |||||
| 1276 | P | 36.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 143 Ų | 143 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -143.8 | -168.4 | -2 | 36.5 | -13.3 | 0 | 0 | 0 | 115.9 | ||||
| 1277 | L | 28.2 | Very low | 32.5 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 62.7 | 105.3 | 139.2 | -81.7 | 165.5 | 0 | 0 | 0 | 122.3 | ||||
| 1278 | T | 27.8 | Very low | 32.7 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | 67.3 | 144 | 125.6 | 50.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1279 | L | 27 | Very low | 32.7 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 60.1 | 105.9 | 157.3 | -91.7 | 75.8 | 0 | 0 | 0 | 116.3 | ||||
| 1280 | E | 34.2 | Very low | 32.8 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 95% | 0.953 | 74% | 0.738 | S | S | * | * | trans | -114.4 | 133.9 | 136.5 | -148.6 | 164 | -158.7 | 0 | 0 | 108.7 | ||||
| 1281 | Q | 28.9 | Very low | 33.2 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -148.9 | 158.5 | -168.6 | -167.9 | -169.3 | 54.3 | 0 | 0 | 105.8 | ||||
| 1282 | Q | 30.9 | Very low | 33 | Very low | 149 Ų | 149 | 147 Ų | 147 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 77.4 | 146.9 | 174.1 | -53.3 | 177.8 | 18.3 | 0 | 0 | 114.2 | ||||
| 1283 | Q | 28.3 | Very low | 33.4 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -171.2 | -172.2 | -29.3 | -118.9 | 161.4 | 4.6 | 0 | 0 | 107.8 | ||||
| 1284 | M | 31.3 | Very low | 33.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 77.7 | 129.9 | 166.7 | -64.8 | 178 | -76.4 | 0 | 0 | 114.9 | ||||
| 1285 | E | 33.5 | Very low | 34.2 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -151.6 | 143.6 | 4.9 | -115.7 | -179.3 | 153.8 | 0 | 0 | 114.1 | ||||
| 1286 | H | 37.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | 51.7 | 141.7 | 156.6 | -73.1 | 76.7 | 0 | 0 | 0 | 121.2 | ||||
| 1287 | S | 36 | Very low | 34.9 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | cis | -173.9 | 177.5 | -18 | 63.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1288 | R | 35.9 | Very low | 35.8 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | cis | -162.9 | 169.8 | 5.8 | -149.2 | -178.7 | -169.2 | 97.5 | 4.4 | 109.2 | ||||
| 1289 | G | 34.6 | Very low | 36.4 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | 86.5 | 83.3 | 165 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1290 | E | 36.7 | Very low | 36.8 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 67.7 | 95.1 | 60.2 | -56.1 | -176.7 | 118.8 | 0 | 0 | 114.9 | |||||
| 1291 | H | 39.9 | Very low | 36.9 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | -167.8 | 172.9 | 101.1 | -104.4 | -74.4 | 0 | 0 | 0 | 111.4 | |||||
| 1292 | S | 35.6 | Very low | 37.4 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -150.8 | 178.5 | -158.1 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1293 | L | 41.4 | Very low | 37.5 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 107.6 | 148.4 | 168.2 | -60.2 | 172.3 | 0 | 0 | 0 | 116.9 | ||||
| 1294 | P | 42.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -131.4 | -142.5 | -136.1 | 47.6 | -28.4 | 0 | 0 | 0 | 114 | ||||
| 1295 | P | 41 | Very low | 38.4 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -112.3 | 154 | -132.4 | 37.4 | -19.2 | 0 | 0 | 0 | 116.8 | ||||
| 1296 | I | 40.7 | Very low | 38.5 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -164.4 | 158.1 | 160.3 | -111 | 152.7 | 0 | 0 | 0 | 109.3 | ||||
| 1297 | P | 40.9 | Very low | 38.3 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -104.3 | -161.8 | -143.9 | 45.9 | -41 | 0 | 0 | 0 | 115 | ||||
| 1298 | P | 47.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -72.2 | 166.9 | -151.9 | 36 | -41.8 | 0 | 0 | 0 | 115.1 | ||||
| 1299 | P | 39.8 | Very low | 38 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -152.3 | -177.8 | 37.8 | 45.5 | -24.9 | 0 | 0 | 0 | 119.8 | ||||
| 1300 | R | 35.2 | Very low | 37.8 | Very low | 233 Ų | 233 | 134.4 Ų | 134.4 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 59.8 | 125.3 | 157.3 | -73.5 | -178.1 | -177.5 | -159.6 | 0.1 | 120.6 | ||||
| 1301 | S | 36.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -28.1 | 150.5 | 158.6 | 46.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1302 | P | 40.4 | Very low | 37.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -153.3 | 148.4 | 92.2 | 40.1 | -21.8 | 0 | 0 | 0 | 119.7 | |||||
| 1303 | Q | 32.1 | Very low | 37.2 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 54.5 | 126.2 | 132 | -64.3 | -176.2 | -13.1 | 0 | 0 | 125.4 | ||||
| 1304 | M | 37.2 | Very low | 36.9 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 70.2 | 172.7 | 128.6 | -71.6 | -169.7 | 178.3 | 0 | 0 | 120.4 | |||||
| 1305 | P | 42.4 | Very low | 36.5 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -119.7 | 156 | -14.3 | 38.7 | -25.5 | 0 | 0 | 0 | 113.1 | ||||
| 1306 | S | 34.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 158.3 | 161.7 | 82.7 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1307 | S | 34.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -143.3 | 152.3 | 16.6 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1308 | T | 32.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 20.2 | 138 | 153.6 | 48.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1309 | V | 31.9 | Very low | 34.9 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | cis | -133.1 | 157.6 | 46.4 | 176.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1310 | T | 31.8 | Very low | 34.8 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 59% | 0.589 | 79% | 0.786 | S | S | * | * | trans | -126.5 | 148.9 | -164.5 | 53.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1311 | L | 31.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | 179.9 | 111.2 | 142.5 | -106.3 | 165 | 0 | 0 | 0 | 110.5 | ||||
| 1312 | R | 33.2 | Very low | 34.5 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | cis | 101.9 | 70.2 | -3.7 | -152.7 | -173.2 | -176.7 | -139.6 | 0.1 | 119.3 | ||||
| 1313 | K | 34.2 | Very low | 34.2 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -164 | 127.7 | 149.9 | -98.1 | 155.7 | -172 | -179.6 | 0 | 108.5 | ||||
| 1314 | N | 34.4 | Very low | 34.3 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | cis | 76 | 114.9 | 35.3 | -91.3 | 38.7 | 0 | 0 | 0 | 117.5 | ||||
| 1315 | C | 34.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -162.8 | 152.9 | 141.8 | -109.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1316 | T | 32.7 | Very low | 33.7 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -152.7 | 138.2 | -173.7 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1317 | T | 35 | Very low | 33.6 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -167.5 | 134.4 | 162.8 | 37.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1318 | N | 35.9 | Very low | 33.5 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 50.4 | 125.4 | 135.7 | -53.8 | -7.3 | 0 | 0 | 0 | 120.5 | ||||
| 1319 | I | 32.9 | Very low | 33.5 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 67 | 130.9 | 68.3 | -65.1 | 167.7 | 0 | 0 | 0 | 111.6 | |||||
| 1320 | P | 37.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | -137.5 | -165.6 | 28.9 | 38.6 | -16.8 | 0 | 0 | 0 | 117.3 | ||||
| 1321 | S | 30.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -91.6 | 160.5 | 178.1 | 53 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1322 | G | 35 | Very low | 33.7 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -177.4 | 95.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1323 | L | 35 | Very low | 33.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 37.3 | 117 | 142 | -72 | 151.5 | 0 | 0 | 0 | 122.4 | ||||
| 1324 | S | 33.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -159.1 | 148.8 | 123.7 | -163.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1325 | K | 32.3 | Very low | 33.3 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 155.5 | -177.7 | -64.1 | 167.5 | 178.2 | 178.7 | 0 | 111.7 | ||||
| 1326 | Y | 35.1 | Very low | 33 | Very low | 209 Ų | 209 | 143 Ų | 143 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | -146.7 | 159.3 | 60.9 | -105.3 | -102.1 | 0 | 0 | 0 | 116.5 | |||||
| 1327 | N | 32.2 | Very low | 32.9 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 56% | 0.556 | 79% | 0.789 | S | S | * | * | trans | -12.7 | 154.7 | 158.1 | -63.6 | 31.5 | 0 | 0 | 0 | 120.1 | ||||
| 1328 | E | 32.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | cis | -159.3 | 151.8 | -3.6 | -119.7 | 157.5 | 169 | 0 | 0 | 115 | ||||
| 1329 | S | 31.6 | Very low | 32.4 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 23.2 | 124.8 | 154.4 | 60.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1330 | P | 37.2 | Very low | 32.5 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -99.7 | 156.1 | 153.5 | 37.7 | -31.5 | 0 | 0 | 0 | 112.9 | ||||
| 1331 | T | 32.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -141.2 | 130.9 | 169.4 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1332 | K | 29.6 | Very low | 32.3 | Very low | 210 Ų | 210 | 142 Ų | 142 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 137.2 | 164.1 | -66.2 | 176.8 | 176.9 | 178.8 | 0 | 110.1 | ||||
| 1333 | V | 32.9 | Very low | 32.4 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -137.2 | 141.8 | 155.5 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1334 | N | 30 | Very low | 32.1 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -97.2 | 160.7 | 179.3 | -99.6 | -19.3 | 0 | 0 | 0 | 111.9 | ||||
| 1335 | S | 31.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 122 | 146.9 | 68.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1336 | R | 27.3 | Very low | 31.6 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | 72.6 | 157.8 | 129.1 | -77.6 | -177.3 | 167 | 175.4 | -4.1 | 121.1 | |||||
| 1337 | A | 31.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | 69.7 | 100.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1338 | S | 28.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | 75.8 | 96.5 | 69.5 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1339 | G | 31.4 | Very low | 30.8 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -159.3 | 104.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1340 | L | 34.9 | Very low | 30.6 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 116.9 | 165.5 | -56.6 | 159.3 | 0 | 0 | 0 | 115.4 | ||||
| 1341 | Y | 30 | Very low | 30.1 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | 60.9 | 133.9 | 60.5 | -79 | -98.4 | 0 | 0 | 0 | 114.5 | |||||
| 1342 | P | 33.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | cis | -134.8 | 170.2 | -35.6 | 37.1 | -21.9 | 0 | 0 | 0 | 113.1 | ||||
| 1343 | H | 37.4 | Very low | 30.3 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | 140.4 | 135.2 | 149.1 | -87.3 | -78.4 | 0 | 0 | 0 | 109.2 | ||||
| 1344 | S | 29 | Very low | 30.2 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 48% | 0.483 | 73% | 0.734 | S | S | . | * | cis | 172.7 | 135.3 | -17.4 | 40.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 1345 | E | 28.6 | Very low | 30.4 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | trans | 73 | 135.3 | 134.8 | -64.7 | 172.6 | 173.1 | 0 | 0 | 116.1 | ||||
| 1346 | N | 26.7 | Very low | 30.3 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | 56.3 | 136.1 | 92 | -40.2 | -19 | 0 | 0 | 0 | 111.3 | |||||
| 1347 | S | 25.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | cis | 164.2 | 177.3 | 4.9 | 44.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1348 | H | 26.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 69.4 | 121.7 | 158.4 | -64.2 | -54.9 | 0 | 0 | 0 | 116.4 | ||||
| 1349 | E | 31 | Very low | 30.7 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | 62.3 | 81.1 | 24.4 | -161.7 | -161.2 | -123.3 | 0 | 0 | 113.7 | ||||
| 1350 | L | 27.6 | Very low | 30.6 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -129.5 | 123.2 | 146.9 | -68.2 | 170 | 0 | 0 | 0 | 104 | ||||
| 1351 | I | 27.5 | Very low | 30.4 | Very low | 147 Ų | 147 | 138 Ų | 138 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -127.9 | 118.1 | 40.5 | -71.5 | 172.3 | 0 | 0 | 0 | 111.4 | ||
| 1352 | H | 34.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | trans | 60.4 | 147.8 | 153.3 | -69.8 | -124.4 | 0 | 0 | 0 | 120.7 | ||||
| 1353 | S | 30.8 | Very low | 30.3 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 53% | 0.531 | 72% | 0.721 | S | S | . | * | cis | -174.7 | 141.5 | -23.8 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1354 | N | 31.8 | Very low | 30 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 71.9 | 126 | 149.4 | -64.7 | -10.9 | 0 | 0 | 0 | 121.3 | ||||
| 1355 | N | 33.5 | Very low | 30.4 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 78.3 | 110.2 | 145.9 | -55.8 | -14.1 | 0 | 0 | 0 | 117 | ||||
| 1356 | N | 29.1 | Very low | 30.5 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | 44 | 111.8 | 68.2 | -77.7 | -8.8 | 0 | 0 | 0 | 114.2 | |||||
| 1357 | F | 32.7 | Very low | 30.7 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | -163.9 | 147.7 | 97.1 | -115.7 | -79.8 | 0 | 0 | 0 | 111.5 | |||||
| 1358 | D | 29.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | -64 | 140.1 | 165.7 | -61 | -81.3 | 0 | 0 | 0 | 111.1 | ||||
| 1359 | H | 34.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | -179.4 | 139.8 | 113.1 | -96.6 | -57.5 | 0 | 0 | 0 | 114.5 | |||||
| 1360 | N | 28.8 | Very low | 31.3 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | 1.9 | 129 | 141.1 | -49.7 | -32.3 | 0 | 0 | 0 | 118.3 | ||||
| 1361 | G | 29.5 | Very low | 31.6 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | 175.1 | 98.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1362 | F | 30.1 | Very low | 31.8 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | 39.6 | 122.2 | 140.5 | -72.1 | -91.3 | 0 | 0 | 0 | 122.6 | ||||
| 1363 | N | 32.4 | Very low | 31.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | trans | 59.1 | 114.5 | 132.3 | -60.4 | 14 | 0 | 0 | 0 | 121.7 | ||||
| 1364 | Q | 30.7 | Very low | 31.5 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | 30.6 | 149.3 | 106.1 | -81.4 | -168.1 | -51.2 | 0 | 0 | 120.7 | |||||
| 1365 | P | 37.2 | Very low | 31.4 | Very low | 90 Ų | 90 | 138 Ų | 138 | 58% | 0.584 | 74% | 0.737 | S | S | * | * | cis | -141.3 | -151.7 | -37.9 | 35.9 | -13.3 | 0 | 0 | 0 | 111.1 | ||||
| 1366 | D | 30.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | 66.8 | 122.9 | 162.4 | -49.8 | -20.1 | 0 | 0 | 0 | 117.6 | ||||
| 1367 | D | 32.3 | Very low | 31 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | 118.5 | 146.5 | 12.2 | -172.3 | 38.1 | 0 | 0 | 0 | 112 | ||||
| 1368 | Q | 32.5 | Very low | 30.7 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 68.9 | 151.1 | 174.7 | -37.1 | -167.9 | 5 | 0 | 0 | 115.5 | ||||
| 1369 | S | 32.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | cis | -142.8 | 172.2 | 8.1 | 64.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1370 | S | 30.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -150.4 | 136.3 | 47.5 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1371 | N | 34 | Very low | 30.2 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 54.6 | 132.5 | 82.5 | -55.7 | -38.9 | 0 | 0 | 0 | 112.9 | |||||
| 1372 | I | 31 | Very low | 30.2 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | -162.2 | 126.5 | 68.5 | -96.9 | -177.8 | 0 | 0 | 0 | 112.3 | |||||
| 1373 | I | 30.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 138.8 | 131.7 | -61.9 | -172.5 | 0 | 0 | 0 | 120.3 | ||||
| 1374 | Q | 29.2 | Very low | 29.9 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -168.3 | 139.5 | -11.5 | -109.8 | 175.9 | -10.4 | 0 | 0 | 111.8 | ||||
| 1375 | T | 29.1 | Very low | 29.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 58.8 | 171.6 | 142.6 | 63.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1376 | P | 29.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | -130 | -179.9 | -52.5 | 37.6 | -23.6 | 0 | 0 | 0 | 112.5 | R1378 | P1376-R1378 PolarHBondContact O-N 2.88Š| |||
| 1377 | L | 24.6 | Very low | 29.3 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | trans | -67.5 | 120 | 158.3 | -72.3 | 92 | 0 | 0 | 0 | 110.6 | ||||
| 1378 | R | 26.8 | Very low | 29.1 | Very low | 232 Ų | 232 | 140.1 Ų | 140.1 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | -169 | 147.8 | 122.3 | -111.6 | 175.3 | 176.9 | 157.9 | 1.8 | 112.6 | P1376 | P1376-R1378 PolarHBondContact O-N 2.88Š| |||
| 1379 | I | 27.1 | Very low | 29 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 129.8 | 168.9 | -62.3 | 159.6 | 0 | 0 | 0 | 107.7 | L1381 | I1379-L1381 HydrophobicContact CG2-CD1 4.36Å; I1379-L1381 HydrophobicContact CG2-CG 4.39Å | ||
| 1380 | D | 27.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -130.1 | 133.7 | 164.3 | -157.8 | -9.3 | 0 | 0 | 0 | 109.9 | ||||
| 1381 | L | 27.8 | Very low | 28.9 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -139 | 83.3 | -174.8 | -85 | 173.3 | 0 | 0 | 0 | 108.5 | I1379 | I1379-L1381 HydrophobicContact CG2-CD1 4.36Å; I1379-L1381 HydrophobicContact CG2-CG 4.39Å | ||
| 1382 | R | 29.3 | Very low | 28.6 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -160.4 | 140.8 | 170.9 | -107.4 | 175.1 | -91 | -150.5 | -8 | 108.3 | ||||
| 1383 | G | 28.7 | Very low | 28.5 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | cis | 151.6 | 98.4 | -7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1384 | Q | 28 | Very low | 28.7 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | trans | -141.4 | 133.5 | 164.5 | -65.3 | -175.1 | -6.8 | 0 | 0 | 107.8 | ||||
| 1385 | S | 26.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | 81 | 81.6 | 24.4 | -170.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1386 | T | 30 | Very low | 28.9 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | -164.4 | 126.4 | 125.6 | 28.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1387 | T | 27.9 | Very low | 29.1 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | 50.8 | 141.9 | 94.8 | 84.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1388 | D | 28.6 | Very low | 29.6 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | cis | -165.4 | 172.9 | 39 | -129 | -45.2 | 0 | 0 | 0 | 116.4 | ||||
| 1389 | F | 31.7 | Very low | 29.8 | Very low | 160 Ų | 160 | 135 Ų | 135 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | 60.7 | 112.5 | 159.9 | -66.4 | -60.1 | 0 | 0 | 0 | 124.6 | ||||
| 1390 | N | 27.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 34.1 | 128.8 | 122.7 | -59.4 | -9.4 | 0 | 0 | 0 | 119.5 | |||||
| 1391 | T | 32.5 | Very low | 30 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | -156.7 | 140.6 | 65.5 | 42.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1392 | S | 27.4 | Very low | 30 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | 41.5 | 133.9 | 85.8 | 75.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1393 | E | 29.5 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | cis | -167.2 | 174.8 | 21.7 | -152.9 | 176.6 | -122.5 | 0 | 0 | 112.3 | ||||
| 1394 | N | 33.1 | Very low | 30.2 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | trans | 75.1 | 112.2 | 156.8 | -63.6 | -51.9 | 0 | 0 | 0 | 122.1 | ||||
| 1395 | N | 30.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | 42.4 | 131.4 | 123.1 | -54.9 | -30.7 | 0 | 0 | 0 | 119.5 | |||||
| 1396 | Y | 33.9 | Very low | 30.9 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | -166.1 | 145.6 | 71.1 | -102.4 | -85.6 | 0 | 0 | 0 | 112.7 | |||||
| 1397 | D | 33.3 | Very low | 31.1 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | trans | 38.9 | 148.3 | 133.4 | -72.3 | 8 | 0 | 0 | 0 | 123.2 | ||||
| 1398 | T | 34 | Very low | 31.4 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | cis | -158.2 | 157 | -1.6 | 11.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1399 | A | 32.7 | Very low | 31.6 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | 42.8 | 120.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1400 | S | 25.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -73.8 | 141.4 | 147.1 | 54 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1401 | K | 31.5 | Very low | 32.1 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -163.9 | 121.4 | 160.1 | -108.2 | 160.9 | -177.4 | 173.9 | 0 | 109.9 | ||||
| 1402 | Q | 28.2 | Very low | 32.3 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | 51.5 | 117.5 | 96.7 | -59.5 | -179 | -28.5 | 0 | 0 | 113 | |||||
| 1403 | H | 31.4 | Very low | 32.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | -178 | 155.1 | 69.2 | -111.1 | -67.3 | 0 | 0 | 0 | 112.9 | |||||
| 1404 | R | 30.7 | Very low | 32.9 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | 69.4 | 156.3 | 148.3 | -82.3 | 177.7 | 171.6 | 167.2 | -1.9 | 116.9 | ||||
| 1405 | L | 33.6 | Very low | 33.1 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | cis | -152 | 152.2 | 8.6 | -111.7 | 144.5 | 0 | 0 | 0 | 109.5 | ||||
| 1406 | V | 35.1 | Very low | 33.3 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 69.6 | 137.4 | 151.5 | 165.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1407 | R | 34.1 | Very low | 33.1 | Very low | 231 Ų | 231 | 137.8 Ų | 137.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | cis | -144.6 | 158.5 | 10.8 | -147.5 | 165.7 | -170.3 | 167.7 | 1.3 | 113.7 | ||||
| 1408 | N | 34.6 | Very low | 33 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -68.5 | 160.2 | 176.5 | -43.5 | -15 | 0 | 0 | 0 | 114.2 | ||||
| 1409 | G | 34.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 155.7 | 66.4 | 166 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1410 | L | 33.6 | Very low | 32.8 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | 46.7 | 107.3 | 89.6 | -96.3 | 166.1 | 0 | 0 | 0 | 114.5 | |||||
| 1411 | G | 35.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 178.6 | 99.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1412 | I | 36.7 | Very low | 33.4 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -13.8 | 139.1 | 142.6 | -54.9 | 136.6 | 0 | 0 | 0 | 114.3 | ||||
| 1413 | G | 36.8 | Very low | 33.7 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 125.7 | 169.5 | 7.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1414 | L | 32.9 | Very low | 33.8 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 72.6 | 153.8 | 165.8 | -66.6 | 170.3 | 0 | 0 | 0 | 118.9 | ||||
| 1415 | P | 37.4 | Very low | 34 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -124.2 | -92.8 | -139.9 | 20.3 | 6.6 | 0 | 0 | 0 | 119 | ||||
| 1416 | P | 34.6 | Very low | 34.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | trans | -124 | -173.7 | -140.2 | 42.1 | -23.8 | 0 | 0 | 0 | 114.9 | ||||
| 1417 | L | 28.6 | Very low | 34.1 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | 68.1 | 172.7 | 174.5 | -49.9 | 157.4 | 0 | 0 | 0 | 111.6 | ||||
| 1418 | A | 31.7 | Very low | 34.1 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | cis | -149.8 | 176.5 | 4.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1419 | S | 30.9 | Very low | 34.1 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 52.6 | 112.9 | 155 | 50.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1420 | N | 30.7 | Very low | 33.9 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | 56.2 | 103.6 | 78.6 | -67.6 | -20.5 | 0 | 0 | 0 | 115 | |||||
| 1421 | Y | 35.2 | Very low | 33.9 | Very low | 234 Ų | 234 | 128.3 Ų | 128.3 | 92% | 0.918 | 74% | 0.741 | S | S | * | * | trans | -171.1 | 106.6 | 134 | -89.4 | -65.2 | 0 | 0 | 0 | 106.3 | ||||
| 1422 | A | 34.4 | Very low | 33.5 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | 93.9 | 143.1 | 32.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1423 | L | 34.3 | Very low | 33.1 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | 71.8 | 146.1 | -177.7 | -72.5 | 65.6 | 0 | 0 | 0 | 114.3 | ||||
| 1424 | N | 35.4 | Very low | 32.7 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | cis | -149.7 | 169.9 | 2.9 | -129.7 | -13 | 0 | 0 | 0 | 115.1 | ||||
| 1425 | Q | 34.2 | Very low | 32.6 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | trans | -76.1 | -169.6 | 170.5 | -58.8 | -176.8 | -12.7 | 0 | 0 | 110.6 | ||||
| 1426 | P | 38.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | cis | -154.9 | 160.4 | 14.6 | 47.3 | -26.1 | 0 | 0 | 0 | 121.5 | ||||
| 1427 | V | 32.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | 60.9 | 154.4 | 127.8 | 173.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1428 | N | 32.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 74.9 | 160.2 | 161.1 | -83.8 | -0.9 | 0 | 0 | 0 | 119.1 | ||||
| 1429 | I | 35 | Very low | 32.8 | Very low | 128 Ų | 128 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | cis | -157.1 | 136.4 | -36.1 | -124.4 | 175.8 | 0 | 0 | 0 | 109.9 | ||||
| 1430 | Q | 29.6 | Very low | 33 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 47.5 | -150.8 | 159.7 | -56.1 | -168.8 | 6.7 | 0 | 0 | 117.8 | ||||
| 1431 | P | 34.4 | Very low | 33.5 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | -136.3 | 175.8 | -101.2 | 44 | -27 | 0 | 0 | 0 | 117.8 | |||||
| 1432 | K | 27.8 | Very low | 33.5 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 69 | 125.8 | 148.8 | -83.5 | 179.3 | 171.8 | -174.4 | 0 | 120.5 | ||||
| 1433 | Q | 27.2 | Very low | 33.5 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | trans | 68.6 | 128.5 | 133.5 | -65 | -177.9 | -78.5 | 0 | 0 | 120.7 | ||||
| 1434 | K | 28.4 | Very low | 33.4 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | 71.9 | 146.2 | 156.3 | -63.8 | 170.6 | -179.8 | -174.7 | 0 | 115.3 | ||||
| 1435 | S | 31.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | cis | -162.1 | 161.3 | -3.8 | 34.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1436 | N | 31.3 | Very low | 33.1 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -50.4 | 157 | 167.9 | -76.4 | 11.6 | 0 | 0 | 0 | 113 | ||||
| 1437 | P | 36.1 | Very low | 32.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | -132.8 | 154.3 | 92.7 | 37.7 | -28.2 | 0 | 0 | 0 | 116.4 | |||||
| 1438 | L | 34 | Very low | 32.8 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -4.3 | 151.9 | 153.3 | -63.3 | 67.9 | 0 | 0 | 0 | 118.8 | ||||
| 1439 | S | 34.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | cis | -154 | 151.2 | 26.1 | 54.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1440 | N | 35.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | -30.2 | 171.4 | 150.1 | -87.5 | 28.9 | 0 | 0 | 0 | 117.9 | E1152 | E1152-N1440 VanDerWaalsContact CD-ND2 3.33Å; E1152-N1440 PolarHBondContact OE1-ND2 2.67Å; E1152-N1440 PolarHBondContact OE2-ND2 2.74Å | ||
| 1441 | P | 40.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | cis | -138.1 | 171.9 | 21.4 | 26 | -1 | 0 | 0 | 0 | 119.8 | E1152 | E1152-P1441 HydrophobicContact CB-CB 3.97Å; E1152-P1441 HydrophobicContact CG-CB 3.48Å; E1152-P1441 VanDerWaalsContact CG-CB 3.48Å; E1152-P1441 WeakPolarHBondContact OE1-CA 3.44Å; E1152-P1441 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 1442 | E | 35.4 | Very low | 32.8 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 50% | 0.5 | 75% | 0.75 | S | S | . | * | trans | 47.3 | 153.2 | 155.6 | -90.2 | 165.2 | 175.1 | 0 | 0 | 121.5 | E1152 H1154 | E1152-E1442 HydrophobicContact CG-CB 4.5Å; E1152-E1442 VanDerWaalsContact CG-CD 3.43Å; E1152-E1442 HydrophobicContact CG-CG 3.77Å; E1152-E1442 PolarHBondContact OE1-N 3.25Å; H1154-E1442 PolarHBondContact N-OE1 2.7Å | ||
| 1443 | L | 33.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | cis | -143.8 | -179.2 | 7.3 | -146.1 | 132.2 | 0 | 0 | 0 | 111.5 | ||||
| 1444 | Q | 32.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | trans | -71.9 | 171.7 | 179.9 | -62.8 | 155.5 | -57.9 | 0 | 0 | 113.1 | H1154 | H1154-Q1444 VanDerWaalsContact CE1-CD 3.46Š| ||
| 1445 | L | 31.8 | Very low | 34 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | cis | -150.2 | 162.9 | 24.5 | -129.7 | 126.2 | 0 | 0 | 0 | 112.6 | ||||
| 1446 | T | 32.6 | Very low | 34.1 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -78.5 | 162.6 | 165.4 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1447 | V | 31.9 | Very low | 34.4 | Very low | 210 Ų | 210 | 131.1 Ų | 131.1 | 100% | 1.273 | 74% | 0.743 | S | S | * | * | cis | -126.6 | 0 | 25.4 | 172 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 1,447 of 1,447 residues in 665.7 ms
(Link to these results)