| 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 | 46.8 | Very low | 46.7 | Very low | 224 Ų | 224 | 144.8 Ų | 144.8 | 100% | 1.103 | 78% | 0.775 | S | S | * | * | 0 | 150.5 | 0 | -63 | -168.8 | -157.7 | 0 | 0 | 108.3 | |||||
| 2 | F | 45.2 | Very low | 46.7 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 83.8 | 92.2 | 178.1 | -50.4 | -74.6 | 0 | 0 | 0 | 117.9 | ||||
| 3 | S | 43 | Very low | 46.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -164.5 | 36.3 | 128.4 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | G5 | S3-G5 PolarHBondContact O-N 2.98Š| |||
| 4 | C | 48.5 | Very low | 46 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 95% | 0.946 | 78% | 0.779 | S | S | * | * | trans | -96.9 | 56.3 | 177.7 | -39.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | G | 49.9 | Very low | 46 | Very low | 50 Ų | 50 | 151.6 Ų | 151.6 | 52% | 0.515 | 78% | 0.779 | S | S | . | * | S | Bend | trans | -141.4 | -15.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S3 | S3-G5 PolarHBondContact O-N 2.98Š|
| 6 | R | 49.2 | Very low | 45.9 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -96.2 | -14.5 | -174.1 | -95 | -176.6 | 168 | 168.2 | -2.6 | 115.6 | ||
| 7 | F | 44.8 | Very low | 46 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91 | -22 | -177.1 | -96.1 | -82.8 | 0 | 0 | 0 | 114.9 | ||
| 8 | A | 47.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 144.5 Ų | 144.5 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -77.7 | -36.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q10 | A8-Q10 VanDerWaalsContact C-N 3.33Å; A8-Q10 PolarHBondContact O-N 3.31Å |
| 9 | L | 43.2 | Very low | 46.1 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -78 | -15.9 | -177.5 | -73.2 | 172.4 | 0 | 0 | 0 | 114 | V11 | L9-V11 VanDerWaalsContact C-N 3.34Å |
| 10 | Q | 47.5 | Very low | 45.9 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -81.6 | -14.1 | 178.4 | -130.2 | 175.1 | 15.9 | 0 | 0 | 113.4 | A8 | A8-Q10 VanDerWaalsContact C-N 3.33Å; A8-Q10 PolarHBondContact O-N 3.31Å |
| 11 | V | 48.8 | Very low | 46 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -85.6 | -33.7 | 179.5 | 179 | 0 | 0 | 0 | 0 | 111.6 | L9 | L9-V11 VanDerWaalsContact C-N 3.34Å |
| 12 | L | 45.9 | Very low | 46.1 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -79.1 | -21.4 | -180 | -71.3 | 170.9 | 0 | 0 | 0 | 114 | ||
| 13 | L | 41.5 | Very low | 46.6 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -97.6 | -0.7 | 178.6 | -73.3 | 167.8 | 0 | 0 | 0 | 113.8 | Q15 | L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.19Å |
| 14 | R | 42.8 | Very low | 47.3 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -85.2 | 77.4 | 173 | -157.9 | 171.6 | -169.1 | 157 | 2.8 | 108.2 | P16 | R14-P16 VanDerWaalsContact O-N 3.15Š| ||
| 15 | Q | 45.8 | Very low | 48 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -47.2 | 125.9 | 159.8 | -68.7 | -177.7 | -14.5 | 0 | 0 | 106.4 | L13 A17 | L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.19Å; Q15-A17 PolarHBondContact O-N 3.01Å | ||
| 16 | P | 44.5 | Very low | 48.8 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -54.2 | 119.3 | 171.2 | 24.1 | -30.9 | 0 | 0 | 0 | 104.2 | R14 V18 | R14-P16 VanDerWaalsContact O-N 3.15Å; P16-V18 VanDerWaalsContact C-N 3.28Å; P16-V18 PolarHBondContact O-N 3.33Å | ||
| 17 | A | 46.8 | Very low | 49.8 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -49.3 | 107.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | Q15 R19 | Q15-A17 PolarHBondContact O-N 3.01Å; A17-R19 PolarHBondContact O-N 2.75Å | ||
| 18 | V | 44.4 | Very low | 51.7 | Low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | trans | -64.4 | 93.9 | 175 | 179.2 | 0 | 0 | 0 | 0 | 100.8 | P16 S20 | P16-V18 VanDerWaalsContact C-N 3.28Å; P16-V18 PolarHBondContact O-N 3.33Å; V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å | ||
| 19 | R | 49.1 | Very low | 53.8 | Low | 203 Ų | 203 | 131.2 Ų | 131.2 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | trans | -52 | 111.8 | 168.1 | -79.5 | -170.7 | 164.8 | -171.7 | -4.9 | 101.7 | A17 F21 | A17-R19 PolarHBondContact O-N 2.75Å; R19-F21 VanDerWaalsContact O-CD2 3.26Å; R19-F21 WeakPolarHBondContact O-CD2 3.32Å; R19-F21 PolarHBondContact O-N 3.17Å | ||
| 20 | S | 42 | Very low | 56.2 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -50.9 | 96.7 | 168.2 | 49.8 | 0 | 0 | 0 | 0 | 104.6 | V18 S22 | V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å; S20-S22 PolarHBondContact O-N 3.38Å | ||
| 21 | F | 48.3 | Very low | 58.5 | Low | 178 Ų | 178 | 126.1 Ų | 126.1 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | trans | -64.5 | 102.3 | 172.1 | -73.3 | -80.8 | 0 | 0 | 0 | 102.1 | R19 L23 | R19-F21 VanDerWaalsContact O-CD2 3.26Å; R19-F21 WeakPolarHBondContact O-CD2 3.32Å; R19-F21 PolarHBondContact O-N 3.17Å; F21-L23 PolarHBondContact O-N 3.13Å | ||
| 22 | S | 50.4 | Low | 60.8 | Low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | trans | -48.7 | 120.7 | 162.6 | 51.2 | 0 | 0 | 0 | 0 | 105.1 | S20 T24 | S20-S22 PolarHBondContact O-N 3.38Å; S22-T24 CarbonylContact O-C 3.59Å; S22-T24 PolarHBondContact O-N 2.94Å; S22-T24 PolarHBondContact OG-O 3.23Å; S22-T24 VanDerWaalsContact OG-O 3.13Å | ||
| 23 | L | 55.9 | Low | 63.2 | Low | 178 Ų | 178 | 121 Ų | 121 | 93% | 0.932 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -58.3 | -12.6 | 176.3 | -66.5 | 171.2 | 0 | 0 | 0 | 111.2 | F21 P25 | F21-L23 PolarHBondContact O-N 3.13Å; L23-P25 WeakPolarHBondContact O-CD 3.22Å |
| 24 | T | 57.3 | Low | 65.8 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -74.2 | 113.9 | 165.3 | -28.9 | 0 | 0 | 0 | 0 | 110.1 | S22 A26 | S22-T24 CarbonylContact O-C 3.59Å; S22-T24 PolarHBondContact O-N 2.94Å; S22-T24 PolarHBondContact OG-O 3.23Å; S22-T24 VanDerWaalsContact OG-O 3.13Å; T24-A26 PolarHBondContact O-N 3.48Å |
| 25 | P | 62.6 | Low | 68.3 | Low | 105 Ų | 105 | 115.7 Ų | 115.7 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | trans | -60.1 | 137.8 | 172.4 | 25 | -32.4 | 0 | 0 | 0 | 109.4 | L23 Q27 | L23-P25 WeakPolarHBondContact O-CD 3.22Å; P25-Q27 PolarHBondContact O-N 2.89Å; P25-Q27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | A | 66.8 | Low | 70.7 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | trans | -55.2 | 120.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | T24 H28 | T24-A26 PolarHBondContact O-N 3.48Å; A26-H28 PolarHBondContact O-N 2.86Å | ||
| 27 | Q | 70.3 | Confident | 73 | Confident | 162 Ų | 162 | 116.4 Ų | 116.4 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -69.9 | -21.3 | -176.3 | -64 | -170.9 | 0.8 | 0 | 0 | 112.4 | P25 | P25-Q27 PolarHBondContact O-N 2.89Å; P25-Q27 VanDerWaalsContact O-N 3.11Å |
| 28 | H | 84.7 | Confident | 75.3 | Confident | 93 Ų | 93 | 114.4 Ų | 114.4 | 43% | 0.431 | 59% | 0.593 | S | S | . | * | trans | -137.7 | 140 | -175.8 | -51.7 | -57.6 | 0 | 0 | 0 | 109.9 | A26 K64 | A26-H28 PolarHBondContact O-N 2.86Å; H28-K64 HydrophobicContact CB-CB 4.01Å; H28-K64 WeakPolarHBondContact ND1-CA 3.45Å | ||
| 29 | T | 91.4 | Very high | 77.7 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | trans | -117.3 | 129.3 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | I31 T63 | T29-I31 HydrophobicContact CG2-CG1 4.25Å; T29-T63 WeakPolarHBondContact CA-OG1 3.46Å; T29-T63 PolarHBondContact N-OG1 3Å; T29-T63 PolarHBondContact O-N 3.37Å; T29-T63 PolarHBondContact O-OG1 2.82Å | ||
| 30 | V | 94.3 | Very high | 79.8 | Confident | 83 Ų | 83 | 110.4 Ų | 110.4 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.5 | 171 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | V32 L59 | V30-V32 HydrophobicContact CG1-CG1 4Å; V30-L59 HydrophobicContact CG1-CD1 3.33Å |
| 31 | I | 95.6 | Very high | 82.3 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 38% | 0.379 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.9 | 179.8 | -56.8 | 176.1 | 0 | 0 | 0 | 108 | T29 V60 E61 T63 | T29-I31 HydrophobicContact CG2-CG1 4.25Å; I31-V60 HydrophobicContact CG2-CB 4.42Å; I31-V60 PolarHBondContact O-N 2.92Å; I31-E61 HydrophobicContact CB-CB 4.29Å; I31-E61 HydrophobicContact CD1-CB 4.4Å; I31-E61 PolarHBondContact N-O 2.92Å; I31-E61 PolarHBondContact O-N 3.48Å; I31-T63 HydrophobicContact CD1-CG2 4.44Å |
| 32 | V | 96.5 | Very high | 84.5 | Confident | 71 Ų | 71 | 107.5 Ų | 107.5 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.4 | -177.7 | -56.9 | 0 | 0 | 0 | 0 | 111 | V30 Y57 K58 L59 | V30-V32 HydrophobicContact CG1-CG1 4Å; V32-Y57 HydrophobicContact CB-CG 4.47Å; V32-Y57 HydrophobicContact CG2-CD1 3.82Å; V32-Y57 HydrophobicContact CG2-CG 3.93Å; V32-K58 CarbonylContact C-O 3.58Å; V32-K58 VanDerWaalsContact CA-O 3.28Å; V32-K58 WeakPolarHBondContact CA-O 3.29Å; V32-K58 WeakPolarHBondContact CB-O 3.37Å; V32-L59 HydrophobicContact CG1-CD1 4.45Å |
| 33 | E | 96.3 | Very high | 86.6 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 40% | 0.397 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 149 | 170.7 | 66.1 | -172.5 | 178 | 0 | 0 | 109.8 | Y57 K58 V60 | E33-Y57 CarbonylContact O-C 3.6Å; E33-Y57 VanDerWaalsContact O-CA 3.24Å; E33-Y57 WeakPolarHBondContact O-CA 3.42Å; E33-K58 HydrophobicContact CG-CB 3.85Å; E33-K58 HydrophobicContact CG-CG 4.44Å; E33-K58 PolarHBondContact N-O 3.38Å; E33-K58 PolarHBondContact O-N 3.22Å; E33-K58 VanDerWaalsContact OE1-CD 3.31Å; E33-K58 WeakPolarHBondContact OE1-CD 3.41Å; E33-K58 WeakPolarHBondContact OE1-CE 3.45Å; E33-K58 IonicContact OE1-NZ 3.84Å; E33-K58 PolarHBondContact OE1-NZ 3.47Å; E33-V60 HydrophobicContact CB-CG2 3.65Å; E33-V60 HydrophobicContact CG-CG2 3.5Å; E33-V60 VanDerWaalsContact CG-CG2 3.5Å |
| 34 | R | 96.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 108.8 Ų | 108.8 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.7 | 172.3 | -73.4 | 179.6 | -168.8 | -101.7 | 3.3 | 108.4 | W36 H54 Y57 | R34-W36 PolarHBondContact O-N 2.96Å; R34-H54 WeakPolarHBondContact CD-O 3.26Å; R34-H54 VanDerWaalsContact NH1-C 3.33Å; R34-H54 PolarHBondContact NH1-O 2.95Å; R34-Y57 HydrophobicContact CG-CD1 3.77Å; R34-Y57 HydrophobicContact CG-CE1 3.53Å |
| 35 | W | 95.7 | Very high | 90.2 | Very high | 158 Ų | 158 | 106.6 Ų | 106.6 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -63 | -30.1 | 178.5 | -166.6 | -79.9 | 0 | 0 | 0 | 112.6 | V56 K58 | W35-V56 HydrophobicContact CB-CB 4.2Å; W35-V56 HydrophobicContact CB-CG1 3.89Å; W35-V56 HydrophobicContact CG-CG1 4.36Å; W35-V56 PolarHBondContact N-O 2.91Å; W35-K58 HydrophobicContact CE3-CB 3.83Å; W35-K58 HydrophobicContact CE3-CD 4.13Å; W35-K58 HydrophobicContact CE3-CG 4.32Å; W35-K58 HydrophobicContact CH2-CD 4.48Å; W35-K58 HydrophobicContact CZ3-CB 4.09Å; W35-K58 HydrophobicContact CZ3-CD 3.75Å; W35-K58 HydrophobicContact CZ3-CG 4.07Å |
| 36 | W | 95.6 | Very high | 91.8 | Very high | 107 Ų | 107 | 106.9 Ų | 106.9 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -117.8 | 135.2 | 179.7 | -54.9 | 89.1 | 0 | 0 | 0 | 109.9 | R34 R53 | R34-W36 PolarHBondContact O-N 2.96Å; W36-R53 HydrophobicContact CB-CG 3.61Å; W36-R53 HydrophobicContact CD2-CG 3.7Å; W36-R53 HydrophobicContact CG-CG 3.25Å |
| 37 | E | 93.9 | Very high | 93 | Very high | 185 Ų | 185 | 106.5 Ų | 106.5 | 86% | 0.864 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.5 | 176.8 | -64.4 | -179.8 | 177.8 | 0 | 0 | 111.8 | H54 | E37-H54 PolarHBondContact O-NE2 3.1Š|
| 38 | V | 95 | Very high | 94 | Very high | 47 Ų | 47 | 107 Ų | 107 | 29% | 0.285 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -94.2 | 123.4 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | P47 L49 | V38-P47 HydrophobicContact CG1-CB 3.86Å; V38-L49 HydrophobicContact CB-CD2 4.29Å; V38-L49 HydrophobicContact CG1-CD2 3.61Å; V38-L49 HydrophobicContact CG2-CD2 3.62Å |
| 39 | P | 93.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 106.6 Ų | 106.6 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 140.3 | 179.3 | 27.5 | -34 | 0 | 0 | 0 | 110.7 | S41 | P39-S41 PolarHBondContact O-N 3.37Š|
| 40 | L | 93.9 | Very high | 94.6 | Very high | 177 Ų | 177 | 108.2 Ų | 108.2 | 93% | 0.927 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131 | 178.5 | -67.3 | 169.3 | 0 | 0 | 0 | 110.5 | ||
| 41 | S | 94 | Very high | 94.4 | Very high | 49 Ų | 49 | 108.6 Ų | 108.6 | 34% | 0.343 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -85.7 | 170.4 | 170.8 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | P39 S45 P46 | P39-S41 PolarHBondContact O-N 3.37Å; S41-S45 WeakPolarHBondContact CB-OG 3.45Å; S41-S45 PolarHBondContact OG-O 2.93Å; S41-P46 VanDerWaalsContact CB-O 3.29Å; S41-P46 WeakPolarHBondContact CB-O 3.42Å; S41-P46 PolarHBondContact OG-O 3.45Å |
| 42 | K | 94.6 | Very high | 94.2 | Very high | 178 Ų | 178 | 116.4 Ų | 116.4 | 77% | 0.774 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.8 | 171.7 | -62.4 | -178.7 | 177.7 | -176.1 | 0 | 109.5 | G44 S45 | K42-G44 PolarHBondContact O-N 3.32Å; K42-S45 WeakPolarHBondContact CA-OG 3.43Å; K42-S45 WeakPolarHBondContact CB-OG 3.18Å; K42-S45 PolarHBondContact N-OG 3.3Å; K42-S45 VanDerWaalsContact N-OG 3.08Å; K42-S45 WeakPolarHBondContact O-CB 3.2Å; K42-S45 PolarHBondContact O-N 2.89Å; K42-S45 PolarHBondContact O-OG 2.91Å |
| 43 | E | 95.4 | Very high | 94.1 | Very high | 202 Ų | 202 | 119.3 Ų | 119.3 | 94% | 0.944 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 136.1 | 176 | -168.1 | 174.4 | -179 | 0 | 0 | 111.3 | S45 | E43-S45 PolarHBondContact O-N 2.85Å; E43-S45 VanDerWaalsContact O-N 3.13Å |
| 44 | G | 94.8 | Very high | 94 | Very high | 88 Ų | 88 | 115.4 Ų | 115.4 | 91% | 0.907 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.7 | -9.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K42 | K42-G44 PolarHBondContact O-N 3.32Š|
| 45 | S | 94.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 119.6 Ų | 119.6 | 34% | 0.336 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -98.5 | 142.8 | 176.4 | 74.4 | 0 | 0 | 0 | 0 | 112 | S41 K42 E43 | S41-S45 WeakPolarHBondContact CB-OG 3.45Å; S41-S45 PolarHBondContact OG-O 2.93Å; K42-S45 WeakPolarHBondContact CA-OG 3.43Å; K42-S45 WeakPolarHBondContact CB-OG 3.18Å; K42-S45 PolarHBondContact N-OG 3.3Å; K42-S45 VanDerWaalsContact N-OG 3.08Å; K42-S45 WeakPolarHBondContact O-CB 3.2Å; K42-S45 PolarHBondContact O-N 2.89Å; K42-S45 PolarHBondContact O-OG 2.91Å; E43-S45 PolarHBondContact O-N 2.85Å; E43-S45 VanDerWaalsContact O-N 3.13Å |
| 46 | P | 94.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 115.3 Ų | 115.3 | 72% | 0.721 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 153.8 | -178.9 | 28.6 | -35.3 | 0 | 0 | 0 | 112.1 | S41 | S41-P46 VanDerWaalsContact CB-O 3.29Å; S41-P46 WeakPolarHBondContact CB-O 3.42Å; S41-P46 PolarHBondContact OG-O 3.45Å |
| 47 | P | 93.8 | Very high | 94 | Very high | 74 Ų | 74 | 115.4 Ų | 115.4 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -67 | 140.7 | -178.9 | 26.9 | -34.5 | 0 | 0 | 0 | 111.9 | V38 L49 | V38-P47 HydrophobicContact CG1-CB 3.86Å; P47-L49 PolarHBondContact O-N 3.41Å |
| 48 | R | 91.1 | Very high | 94.1 | Very high | 173 Ų | 173 | 111.3 Ų | 111.3 | 65% | 0.653 | 56% | 0.558 | S | S | * | * | trans | -80.3 | 102.3 | 176.9 | -172.9 | 174.6 | 176 | 169.4 | -1.4 | 110.5 | Y50 | R48-Y50 PolarHBondContact NE-OH 2.82Š| ||
| 49 | L | 94 | Very high | 94.2 | Very high | 84 Ų | 84 | 114.1 Ų | 114.1 | 44% | 0.44 | 57% | 0.571 | S | S | . | * | trans | -94.8 | 124.5 | 180 | -61.7 | 178.8 | 0 | 0 | 0 | 112.8 | V38 P47 H54 | V38-L49 HydrophobicContact CB-CD2 4.29Å; V38-L49 HydrophobicContact CG1-CD2 3.61Å; V38-L49 HydrophobicContact CG2-CD2 3.62Å; P47-L49 PolarHBondContact O-N 3.41Å; L49-H54 HydrophobicContact CD2-CB 4.31Å | ||
| 50 | Y | 92.9 | Very high | 94.3 | Very high | 115 Ų | 115 | 114.7 Ų | 114.7 | 45% | 0.451 | 57% | 0.573 | S | S | . | * | trans | -86.6 | 116 | 169.3 | -64.8 | -71.1 | 0 | 0 | 0 | 110.2 | R48 R52 R53 H54 | R48-Y50 PolarHBondContact NE-OH 2.82Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.27Å; Y50-R53 PolarHBondContact O-N 2.9Å; Y50-H54 AromaticContact CD2-CE1 3.69Å; Y50-H54 PolarHBondContact N-ND1 3.37Å; Y50-H54 WeakPolarHBondContact O-CB 3.31Å; Y50-H54 PolarHBondContact O-N 3.45Å | ||
| 51 | S | 91.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 110.8 Ų | 110.8 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -36.8 | -172.7 | -172 | 0 | 0 | 0 | 0 | 114.2 | R55 | S51-R55 WeakPolarHBondContact O-CB 3.33Š|
| 52 | R | 92 | Very high | 94.4 | Very high | 238 Ų | 238 | 109.9 Ų | 109.9 | 90% | 0.898 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -47.8 | 178.5 | -74.8 | -176.7 | 166.3 | 165.6 | -4.1 | 113.1 | Y50 | Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.27Å |
| 53 | R | 93 | Very high | 94.2 | Very high | 131 Ų | 131 | 103.6 Ų | 103.6 | 49% | 0.494 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -51.4 | -173.4 | -173.1 | -176.5 | -93.9 | -143.4 | -3.3 | 111.3 | W36 Y50 R55 | W36-R53 HydrophobicContact CB-CG 3.61Å; W36-R53 HydrophobicContact CD2-CG 3.7Å; W36-R53 HydrophobicContact CG-CG 3.25Å; Y50-R53 PolarHBondContact O-N 2.9Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å |
| 54 | H | 94.5 | Very high | 94 | Very high | 4 Ų | 4 | 98.9 Ų | 98.9 | 2% | 0.019 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9 | -169.6 | -58.2 | 166.1 | 0 | 0 | 0 | 113.4 | R34 E37 L49 Y50 V56 | R34-H54 WeakPolarHBondContact CD-O 3.26Å; R34-H54 VanDerWaalsContact NH1-C 3.33Å; R34-H54 PolarHBondContact NH1-O 2.95Å; E37-H54 PolarHBondContact O-NE2 3.1Å; L49-H54 HydrophobicContact CD2-CB 4.31Å; Y50-H54 AromaticContact CD2-CE1 3.69Å; Y50-H54 PolarHBondContact N-ND1 3.37Å; Y50-H54 WeakPolarHBondContact O-CB 3.31Å; Y50-H54 PolarHBondContact O-N 3.45Å; H54-V56 VanDerWaalsContact C-N 3.26Å |
| 55 | R | 95.1 | Very high | 93.9 | Very high | 182 Ų | 182 | 101.6 Ų | 101.6 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.4 | 176.8 | -166 | 168.3 | -179.8 | 171.2 | -1.5 | 113.3 | S51 R53 Y57 | S51-R55 WeakPolarHBondContact O-CB 3.33Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å; R55-Y57 HydrophobicContact CG-CE2 4.4Å; R55-Y57 WeakPolarHBondContact O-CD2 3.46Å; R55-Y57 VanDerWaalsContact O-CE2 3.23Å; R55-Y57 WeakPolarHBondContact O-CE2 3.47Å |
| 56 | V | 95.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 101 Ų | 101 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | trans | -83.8 | 123.3 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | W35 H54 | W35-V56 HydrophobicContact CB-CB 4.2Å; W35-V56 HydrophobicContact CB-CG1 3.89Å; W35-V56 HydrophobicContact CG-CG1 4.36Å; W35-V56 PolarHBondContact N-O 2.91Å; H54-V56 VanDerWaalsContact C-N 3.26Å | ||
| 57 | Y | 96.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 101.6 Ų | 101.6 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.7 | -177.9 | -57.5 | -74.3 | 0 | 0 | 0 | 110.9 | V32 E33 R34 R55 | V32-Y57 HydrophobicContact CB-CG 4.47Å; V32-Y57 HydrophobicContact CG2-CD1 3.82Å; V32-Y57 HydrophobicContact CG2-CG 3.93Å; E33-Y57 CarbonylContact O-C 3.6Å; E33-Y57 VanDerWaalsContact O-CA 3.24Å; E33-Y57 WeakPolarHBondContact O-CA 3.42Å; R34-Y57 HydrophobicContact CG-CD1 3.77Å; R34-Y57 HydrophobicContact CG-CE1 3.53Å; R55-Y57 HydrophobicContact CG-CE2 4.4Å; R55-Y57 WeakPolarHBondContact O-CD2 3.46Å; R55-Y57 VanDerWaalsContact O-CE2 3.23Å; R55-Y57 WeakPolarHBondContact O-CE2 3.47Å |
| 58 | K | 96.5 | Very high | 93.5 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.8 | 170.1 | -178.7 | 173.2 | 156.8 | -135.5 | 0 | 108.7 | V32 E33 W35 V60 | V32-K58 CarbonylContact C-O 3.58Å; V32-K58 VanDerWaalsContact CA-O 3.28Å; V32-K58 WeakPolarHBondContact CA-O 3.29Å; V32-K58 WeakPolarHBondContact CB-O 3.37Å; E33-K58 HydrophobicContact CG-CB 3.85Å; E33-K58 HydrophobicContact CG-CG 4.44Å; E33-K58 PolarHBondContact N-O 3.38Å; E33-K58 PolarHBondContact O-N 3.22Å; E33-K58 VanDerWaalsContact OE1-CD 3.31Å; E33-K58 WeakPolarHBondContact OE1-CD 3.41Å; E33-K58 WeakPolarHBondContact OE1-CE 3.45Å; E33-K58 IonicContact OE1-NZ 3.84Å; E33-K58 PolarHBondContact OE1-NZ 3.47Å; W35-K58 HydrophobicContact CE3-CB 3.83Å; W35-K58 HydrophobicContact CE3-CD 4.13Å; W35-K58 HydrophobicContact CE3-CG 4.32Å; W35-K58 HydrophobicContact CH2-CD 4.48Å; W35-K58 HydrophobicContact CZ3-CB 4.09Å; W35-K58 HydrophobicContact CZ3-CD 3.75Å; W35-K58 HydrophobicContact CZ3-CG 4.07Å; K58-V60 PolarHBondContact O-N 3.21Å |
| 59 | L | 96.9 | Very high | 93.6 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.4 | 175.5 | 179.4 | 65.1 | 0 | 0 | 0 | 109.2 | V30 V32 | V30-L59 HydrophobicContact CG1-CD1 3.33Å; V32-L59 HydrophobicContact CG1-CD1 4.45Å |
| 60 | V | 96.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 108.3 Ų | 108.3 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -58.4 | 177 | 178 | 0 | 0 | 0 | 0 | 109.6 | I31 E33 K58 | I31-V60 HydrophobicContact CG2-CB 4.42Å; I31-V60 PolarHBondContact O-N 2.92Å; E33-V60 HydrophobicContact CB-CG2 3.65Å; E33-V60 HydrophobicContact CG-CG2 3.5Å; E33-V60 VanDerWaalsContact CG-CG2 3.5Å; K58-V60 PolarHBondContact O-N 3.21Å |
| 61 | E | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 104 Ų | 104 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 145 | -176.1 | -174.5 | -176.7 | 165.3 | 0 | 0 | 110.3 | I31 | I31-E61 HydrophobicContact CB-CB 4.29Å; I31-E61 HydrophobicContact CD1-CB 4.4Å; I31-E61 PolarHBondContact N-O 2.92Å; I31-E61 PolarHBondContact O-N 3.48Å |
| 62 | D | 94.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 102.5 Ų | 102.5 | 16% | 0.16 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 108 | 170.9 | -162.9 | -26 | 0 | 0 | 0 | 110 | K64 H65 | D62-K64 PolarHBondContact O-N 3.45Å; D62-K64 VanDerWaalsContact OD1-CG 3.31Å; D62-K64 WeakPolarHBondContact OD1-CG 3.47Å; D62-K64 PolarHBondContact OD1-N 3.09Å; D62-K64 WeakPolarHBondContact OD2-CE 3.28Å; D62-K64 IonicContact OD2-NZ 3.67Å; D62-H65 PolarHBondContact O-N 3.23Å; D62-H65 VanDerWaalsContact O-N 3.13Å |
| 63 | T | 91.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 91.1 Ų | 91.1 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12 | -175.9 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | T29 I31 H65 A66 | T29-T63 WeakPolarHBondContact CA-OG1 3.46Å; T29-T63 PolarHBondContact N-OG1 3Å; T29-T63 PolarHBondContact O-N 3.37Å; T29-T63 PolarHBondContact O-OG1 2.82Å; I31-T63 HydrophobicContact CD1-CG2 4.44Å; T63-H65 PolarHBondContact O-N 2.97Å; T63-A66 PolarHBondContact O-N 3.26Å |
| 64 | K | 91.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 85 Ų | 85 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.3 | 173.7 | 79.7 | 176.1 | 141.4 | 159.6 | 0 | 113.1 | H28 D62 | H28-K64 HydrophobicContact CB-CB 4.01Å; H28-K64 WeakPolarHBondContact ND1-CA 3.45Å; D62-K64 PolarHBondContact O-N 3.45Å; D62-K64 VanDerWaalsContact OD1-CG 3.31Å; D62-K64 WeakPolarHBondContact OD1-CG 3.47Å; D62-K64 PolarHBondContact OD1-N 3.09Å; D62-K64 WeakPolarHBondContact OD2-CE 3.28Å; D62-K64 IonicContact OD2-NZ 3.67Å |
| 65 | H | 91.4 | Very high | 94.8 | Very high | 145 Ų | 145 | 84.8 Ų | 84.8 | 67% | 0.671 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -95.2 | -7.1 | -175.2 | -63 | -53.8 | 0 | 0 | 0 | 112.6 | D62 T63 | D62-H65 PolarHBondContact O-N 3.23Å; D62-H65 VanDerWaalsContact O-N 3.13Å; T63-H65 PolarHBondContact O-N 2.97Å |
| 66 | A | 90.9 | Very high | 94.8 | Very high | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -66.3 | 147.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T63 K68 | T63-A66 PolarHBondContact O-N 3.26Å; A66-K68 PolarHBondContact O-N 3.28Å |
| 67 | P | 92.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 79 Ų | 79 | 79% | 0.792 | 39% | 0.388 | S | S | * | . | trans | -61.1 | 134.1 | 177.3 | 25.4 | -33.5 | 0 | 0 | 0 | 111 | E69 | P67-E69 PolarHBondContact O-N 3.04Š| ||
| 68 | K | 90.9 | Very high | 94.4 | Very high | 186 Ų | 186 | 77.6 Ų | 77.6 | 81% | 0.809 | 39% | 0.391 | S | S | * | . | trans | -81.6 | 108.9 | -176.5 | -66 | 177 | -176.3 | 174 | 0 | 110.8 | A66 | A66-K68 PolarHBondContact O-N 3.28Š| ||
| 69 | E | 93.6 | Very high | 94.2 | Very high | 142 Ų | 142 | 73.8 Ų | 73.8 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 149.2 | 173 | -63.8 | 175.1 | 166.9 | 0 | 0 | 112.7 | P67 K93 | P67-E69 PolarHBondContact O-N 3.04Å; E69-K93 WeakPolarHBondContact O-CE 3.45Å |
| 70 | K | 96.5 | Very high | 93.9 | Very high | 145 Ų | 145 | 75.1 Ų | 75.1 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 149 | 171 | -63.8 | 179.4 | -177.5 | 177.1 | 0 | 110 | F90 V91 | K70-F90 HydrophobicContact CB-CB 4.16Å; K70-F90 HydrophobicContact CD-CB 4.2Å; K70-V91 CarbonylContact C-O 3.44Å; K70-V91 WeakPolarHBondContact CA-O 3.49Å |
| 71 | M | 95.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 81.2 Ų | 81.2 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.8 | 176.5 | 177.6 | -179.4 | -84.9 | 0 | 0 | 109.3 | L73 F90 V91 K93 R97 Y108 | M71-L73 HydrophobicContact CG-CD2 4.31Å; M71-L73 HydrophobicContact CG-CG 4.1Å; M71-L73 HydrophobicContact SD-CD1 4.2Å; M71-L73 HydrophobicContact SD-CD2 4.14Å; M71-L73 HydrophobicContact SD-CG 4.2Å; M71-F90 CarbonylContact O-C 3.58Å; M71-F90 WeakPolarHBondContact O-CA 3.39Å; M71-V91 PolarHBondContact N-O 3.4Å; M71-V91 PolarHBondContact O-N 2.78Å; M71-K93 HydrophobicContact CB-CG 3.98Å; M71-K93 HydrophobicContact CE-CB 4.49Å; M71-K93 HydrophobicContact CE-CG 4.22Å; M71-R97 HydrophobicContact CE-CG 4.22Å; M71-Y108 HydrophobicContact CE-CE1 4.49Å; M71-Y108 HydrophobicContact SD-CE1 4.5Å |
| 72 | E | 97.4 | Very high | 93.5 | Very high | 58 Ų | 58 | 80 Ų | 80 | 27% | 0.271 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.1 | 170.8 | -173.1 | -172.8 | 165.6 | 0 | 0 | 109.9 | T88 V89 F90 P109 K114 | E72-T88 HydrophobicContact CG-CG2 3.48Å; E72-T88 VanDerWaalsContact CG-CG2 3.48Å; E72-T88 WeakPolarHBondContact OE1-CG2 3.37Å; E72-V89 WeakPolarHBondContact CA-O 3.47Å; E72-F90 HydrophobicContact CB-CD1 4.08Å; E72-F90 HydrophobicContact CB-CE1 3.83Å; E72-F90 HydrophobicContact CG-CD1 4.49Å; E72-F90 HydrophobicContact CG-CE1 3.99Å; E72-F90 HydrophobicContact CG-CZ 4.29Å; E72-P109 HydrophobicContact CB-CG 4.04Å; E72-P109 HydrophobicContact CG-CB 4.08Å; E72-P109 HydrophobicContact CG-CG 3.9Å; E72-P109 VanDerWaalsContact O-CD 3.32Å; E72-P109 WeakPolarHBondContact O-CD 3.43Å; E72-P109 WeakPolarHBondContact O-CG 3.43Å; E72-K114 WeakPolarHBondContact OE1-CE 3.44Å; E72-K114 IonicContact OE1-NZ 2.83Å; E72-K114 PolarHBondContact OE1-NZ 3Å; E72-K114 IonicContact OE2-NZ 2.91Å |
| 73 | L | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.9 | 175.4 | -69.1 | 176.3 | 0 | 0 | 0 | 110 | M71 T88 V89 V91 L100 L101 A106 Y108 | M71-L73 HydrophobicContact CG-CD2 4.31Å; M71-L73 HydrophobicContact CG-CG 4.1Å; M71-L73 HydrophobicContact SD-CD1 4.2Å; M71-L73 HydrophobicContact SD-CD2 4.14Å; M71-L73 HydrophobicContact SD-CG 4.2Å; L73-T88 CarbonylContact O-C 3.46Å; L73-T88 WeakPolarHBondContact O-CA 3.48Å; L73-V89 HydrophobicContact CB-CG2 4.34Å; L73-V89 PolarHBondContact N-O 3.04Å; L73-V89 WeakPolarHBondContact O-CG2 3.44Å; L73-V89 PolarHBondContact O-N 2.88Å; L73-V91 HydrophobicContact CD1-CG2 3.97Å; L73-L100 HydrophobicContact CD1-CB 4.26Å; L73-L100 HydrophobicContact CD1-CD1 4Å; L73-L101 HydrophobicContact CD1-CG 4.36Å; L73-L101 HydrophobicContact CD2-CD1 4.31Å; L73-L101 HydrophobicContact CD2-CD2 3.95Å; L73-L101 HydrophobicContact CD2-CG 4.28Å; L73-A106 HydrophobicContact CB-CB 4.09Å; L73-A106 HydrophobicContact CD1-CB 4.22Å; L73-Y108 HydrophobicContact CD2-CD1 3.99Å; L73-Y108 HydrophobicContact CD2-CE1 4.33Å |
| 74 | I | 97.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.4 | 173 | -55.5 | 171.9 | 0 | 0 | 0 | 108.5 | D87 A106 V107 P109 N113 K114 F117 | I74-D87 WeakPolarHBondContact CA-O 3.27Å; I74-A106 CarbonylContact O-C 3.53Å; I74-A106 WeakPolarHBondContact O-CA 3.49Å; I74-A106 WeakPolarHBondContact O-CB 3.39Å; I74-V107 PolarHBondContact N-O 3.38Å; I74-V107 PolarHBondContact O-N 3.14Å; I74-P109 HydrophobicContact CD1-CB 4.22Å; I74-P109 HydrophobicContact CG1-CB 4.16Å; I74-N113 HydrophobicContact CD1-CB 4.37Å; I74-K114 HydrophobicContact CD1-CG 3.77Å; I74-F117 HydrophobicContact CB-CD2 4.37Å; I74-F117 HydrophobicContact CB-CE2 4.48Å; I74-F117 HydrophobicContact CD1-CD2 4.2Å; I74-F117 HydrophobicContact CG2-CB 4.42Å; I74-F117 HydrophobicContact CG2-CD1 4.43Å; I74-F117 HydrophobicContact CG2-CD2 3.57Å; I74-F117 HydrophobicContact CG2-CE2 3.9Å; I74-F117 HydrophobicContact CG2-CG 3.89Å; I74-F117 HydrophobicContact CG2-CZ 4.46Å |
| 75 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.5 | -179.3 | -65.8 | -179.2 | 0 | 0 | 0 | 111.3 | V79 L82 G84 G86 D87 V89 L100 A106 | L75-V79 HydrophobicContact CD2-CG2 4.24Å; L75-L82 HydrophobicContact CD1-CB 4.14Å; L75-G84 WeakPolarHBondContact CB-O 3.42Å; L75-G86 PolarHBondContact O-N 2.96Å; L75-D87 PolarHBondContact N-O 3.23Å; L75-V89 HydrophobicContact CD1-CG1 3.9Å; L75-V89 HydrophobicContact CD1-CG2 4.48Å; L75-V89 HydrophobicContact CD2-CG2 4.01Å; L75-V89 HydrophobicContact CG-CG1 4.15Å; L75-V89 HydrophobicContact CG-CG2 4Å; L75-L100 HydrophobicContact CD2-CD1 4.42Å; L75-A106 HydrophobicContact CD2-CB 4.08Å |
| 76 | T | 95.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -88.8 | -24.9 | 173.7 | 55 | 0 | 0 | 0 | 0 | 111.8 | R85 G104 L105 V107 F117 | T76-R85 VanDerWaalsContact O-CD 3.23Å; T76-R85 WeakPolarHBondContact O-CD 3.42Å; T76-R85 WeakPolarHBondContact O-CG 3.41Å; T76-R85 PolarHBondContact O-NH1 3.46Å; T76-G104 PolarHBondContact OG1-O 3.5Å; T76-L105 PolarHBondContact N-O 3.21Å; T76-L105 WeakPolarHBondContact OG1-CA 3.26Å; T76-L105 PolarHBondContact OG1-O 2.93Å; T76-L105 VanDerWaalsContact OG1-O 3.06Å; T76-V107 HydrophobicContact CG2-CB 4.49Å; T76-V107 HydrophobicContact CG2-CG2 3.5Å; T76-V107 VanDerWaalsContact CG2-CG2 3.5Å; T76-F117 HydrophobicContact CG2-CZ 4.12Å |
| 77 | Q | 92.9 | Very high | 93.6 | Very high | 110 Ų | 110 | 75 Ų | 75 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -132.6 | 158.7 | -178.8 | -62.6 | -177.4 | 12.4 | 0 | 0 | 109.4 | V79 L105 | Q77-V79 PolarHBondContact O-N 2.89Å; Q77-L105 HydrophobicContact CB-CD2 4.27Å |
| 78 | T | 91.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | trans | -68.8 | 116 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | G83 R136 | T78-G83 WeakPolarHBondContact CA-O 3.48Å; T78-R136 HydrophobicContact CG2-CB 4.22Å | ||
| 79 | V | 92.3 | Very high | 94.1 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 132.6 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | L75 Q77 K81 L82 G83 L100 L105 | L75-V79 HydrophobicContact CD2-CG2 4.24Å; Q77-V79 PolarHBondContact O-N 2.89Å; V79-K81 PolarHBondContact O-N 3.49Å; V79-L82 HydrophobicContact CB-CB 4.26Å; V79-L82 HydrophobicContact CB-CD1 4.28Å; V79-L82 HydrophobicContact CG1-CB 4.41Å; V79-L82 HydrophobicContact CG1-CD1 3.82Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; V79-L82 PolarHBondContact O-N 3.4Å; V79-G83 PolarHBondContact N-O 3.15Å; V79-G83 PolarHBondContact O-N 2.92Å; V79-L100 HydrophobicContact CG1-CD2 4.47Å; V79-L100 HydrophobicContact CG2-CD2 4.45Å; V79-L105 HydrophobicContact CG2-CB 4.11Å; V79-L105 HydrophobicContact CG2-CD1 4.19Å |
| 80 | E | 89.8 | Confident | 94.3 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.9 | -177.8 | -45.2 | -159.8 | 132.6 | 0 | 0 | 112.3 | L82 R136 | E80-L82 PolarHBondContact O-N 3.45Å; E80-R136 VanDerWaalsContact CG-NH1 3.31Å; E80-R136 IonicContact OE1-NH1 3.51Å |
| 81 | K | 90.1 | Very high | 94.3 | Very high | 208 Ų | 208 | 57.3 Ų | 57.3 | 90% | 0.904 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -1.5 | 179.3 | -51.7 | 176.6 | 179.5 | 177.3 | 0 | 115.3 | V79 | V79-K81 PolarHBondContact O-N 3.49Š|
| 82 | L | 92.5 | Very high | 94.3 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -56.2 | 177.4 | -69.7 | -179.5 | 0 | 0 | 0 | 112 | L75 V79 E80 V91 L100 | L75-L82 HydrophobicContact CD1-CB 4.14Å; V79-L82 HydrophobicContact CB-CB 4.26Å; V79-L82 HydrophobicContact CB-CD1 4.28Å; V79-L82 HydrophobicContact CG1-CB 4.41Å; V79-L82 HydrophobicContact CG1-CD1 3.82Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; V79-L82 PolarHBondContact O-N 3.4Å; E80-L82 PolarHBondContact O-N 3.45Å; L82-V91 HydrophobicContact CD2-CG1 4.06Å; L82-L100 HydrophobicContact CD1-CD1 4.06Å; L82-L100 HydrophobicContact CD1-CD2 3.95Å |
| 83 | G | 92.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | 165.3 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T78 V79 | T78-G83 WeakPolarHBondContact CA-O 3.48Å; V79-G83 PolarHBondContact N-O 3.15Å; V79-G83 PolarHBondContact O-N 2.92Å |
| 84 | G | 90.8 | Very high | 94 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | trans | -85 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L75 D87 | L75-G84 WeakPolarHBondContact CB-O 3.42Å; G84-D87 PolarHBondContact N-OD2 3.37Å; G84-D87 WeakPolarHBondContact O-CB 3.29Å; G84-D87 PolarHBondContact O-N 3.06Å | ||
| 85 | R | 91.4 | Very high | 93.9 | Very high | 119 Ų | 119 | 70.6 Ų | 70.6 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 134.7 | 169.1 | 171 | 174.2 | 178.1 | 91.8 | 4.1 | 110.4 | T76 D87 E120 | T76-R85 VanDerWaalsContact O-CD 3.23Å; T76-R85 WeakPolarHBondContact O-CD 3.42Å; T76-R85 WeakPolarHBondContact O-CG 3.41Å; T76-R85 PolarHBondContact O-NH1 3.46Å; R85-D87 VanDerWaalsContact C-N 3.35Å; R85-E120 IonicContact CZ-OE1 3.7Å; R85-E120 VanDerWaalsContact CZ-OE1 3.23Å; R85-E120 IonicContact CZ-OE2 2.79Å; R85-E120 IonicContact NE-OE1 3.23Å; R85-E120 PolarHBondContact NE-OE1 3.03Å; R85-E120 IonicContact NE-OE2 2.76Å; R85-E120 VanDerWaalsContact NH2-CD 3.28Å; R85-E120 IonicContact NH2-OE1 3.73Å; R85-E120 PolarHBondContact NH2-OE1 2.96Å; R85-E120 IonicContact NH2-OE2 3.58Å; R85-E120 PolarHBondContact NH2-OE2 3.23Å |
| 86 | G | 92.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 70.6 Ų | 70.6 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -11 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L75 | L75-G86 PolarHBondContact O-N 2.96Š|
| 87 | D | 94.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 75.8 Ų | 75.8 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | trans | -74.2 | 140.1 | -178 | -69.6 | -19.8 | 0 | 0 | 0 | 111.9 | I74 L75 G84 R85 | I74-D87 WeakPolarHBondContact CA-O 3.27Å; L75-D87 PolarHBondContact N-O 3.23Å; G84-D87 PolarHBondContact N-OD2 3.37Å; G84-D87 WeakPolarHBondContact O-CB 3.29Å; G84-D87 PolarHBondContact O-N 3.06Å; R85-D87 VanDerWaalsContact C-N 3.35Å | ||
| 88 | T | 96.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121 | 172.2 | -58.6 | 0 | 0 | 0 | 0 | 110 | E72 L73 | E72-T88 HydrophobicContact CG-CG2 3.48Å; E72-T88 VanDerWaalsContact CG-CG2 3.48Å; E72-T88 WeakPolarHBondContact OE1-CG2 3.37Å; L73-T88 CarbonylContact O-C 3.46Å; L73-T88 WeakPolarHBondContact O-CA 3.48Å |
| 89 | V | 96.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 78 Ų | 78 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.7 | -174.1 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | E72 L73 L75 V91 | E72-V89 WeakPolarHBondContact CA-O 3.47Å; L73-V89 HydrophobicContact CB-CG2 4.34Å; L73-V89 PolarHBondContact N-O 3.04Å; L73-V89 WeakPolarHBondContact O-CG2 3.44Å; L73-V89 PolarHBondContact O-N 2.88Å; L75-V89 HydrophobicContact CD1-CG1 3.9Å; L75-V89 HydrophobicContact CD1-CG2 4.48Å; L75-V89 HydrophobicContact CD2-CG2 4.01Å; L75-V89 HydrophobicContact CG-CG1 4.15Å; L75-V89 HydrophobicContact CG-CG2 4Å; V89-V91 HydrophobicContact CB-CG1 4.37Å; V89-V91 HydrophobicContact CG2-CG1 4.04Å |
| 90 | F | 97.6 | Very high | 94.3 | Very high | 130 Ų | 130 | 77.1 Ų | 77.1 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 101.1 | 175.6 | -65.7 | -83.1 | 0 | 0 | 0 | 111 | K70 M71 E72 | K70-F90 HydrophobicContact CB-CB 4.16Å; K70-F90 HydrophobicContact CD-CB 4.2Å; M71-F90 CarbonylContact O-C 3.58Å; M71-F90 WeakPolarHBondContact O-CA 3.39Å; E72-F90 HydrophobicContact CB-CD1 4.08Å; E72-F90 HydrophobicContact CB-CE1 3.83Å; E72-F90 HydrophobicContact CG-CD1 4.49Å; E72-F90 HydrophobicContact CG-CE1 3.99Å; E72-F90 HydrophobicContact CG-CZ 4.29Å |
| 91 | V | 96.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 164.8 | -173.9 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | K70 M71 L73 L82 V89 L100 | K70-V91 CarbonylContact C-O 3.44Å; K70-V91 WeakPolarHBondContact CA-O 3.49Å; M71-V91 PolarHBondContact N-O 3.4Å; M71-V91 PolarHBondContact O-N 2.78Å; L73-V91 HydrophobicContact CD1-CG2 3.97Å; L82-V91 HydrophobicContact CD2-CG1 4.06Å; V89-V91 HydrophobicContact CB-CG1 4.37Å; V89-V91 HydrophobicContact CG2-CG1 4.04Å; V91-L100 HydrophobicContact CG1-CD1 4.27Å; V91-L100 HydrophobicContact CG2-CD1 4.19Å |
| 92 | K | 96.3 | Very high | 94.9 | Very high | 146 Ų | 146 | 66.3 Ų | 66.3 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 139 | 169.9 | -68.6 | 180 | 179.7 | 175.7 | 0 | 109.8 | S94 I95 G96 | K92-S94 PolarHBondContact O-N 2.96Å; K92-I95 HydrophobicContact CB-CD1 4.45Å; K92-I95 PolarHBondContact O-N 3.24Å; K92-G96 PolarHBondContact O-N 2.89Å |
| 93 | K | 94.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52.4 | -32 | -179.8 | -68.8 | 178.5 | 178.7 | 176.3 | 0 | 113.5 | E69 M71 R97 | E69-K93 WeakPolarHBondContact O-CE 3.45Å; M71-K93 HydrophobicContact CB-CG 3.98Å; M71-K93 HydrophobicContact CE-CB 4.49Å; M71-K93 HydrophobicContact CE-CG 4.22Å; K93-R97 WeakPolarHBondContact O-CG 3.29Å; K93-R97 PolarHBondContact O-N 3.41Å; K93-R97 VanDerWaalsContact O-N 3.13Å |
| 94 | S | 93.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | K92 N98 | K92-S94 PolarHBondContact O-N 2.96Å; S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.34Å; S94-N98 PolarHBondContact O-N 3.47Å |
| 95 | I | 95.6 | Very high | 95.5 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 178.6 | -62.1 | 174.3 | 0 | 0 | 0 | 109.9 | K92 K99 L100 | K92-I95 HydrophobicContact CB-CD1 4.45Å; K92-I95 PolarHBondContact O-N 3.24Å; I95-K99 HydrophobicContact CG2-CB 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.31Å; I95-K99 PolarHBondContact O-N 3.26Å; I95-L100 HydrophobicContact CG2-CG 4.44Å; I95-L100 PolarHBondContact O-N 3.39Å; I95-L100 VanDerWaalsContact O-N 3.12Å |
| 96 | G | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -56.8 | -53 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K92 L100 L101 | K92-G96 PolarHBondContact O-N 2.89Å; G96-L100 PolarHBondContact O-N 2.97Å; G96-L101 WeakPolarHBondContact O-CB 3.29Å; G96-L101 VanDerWaalsContact O-CG 3.31Å; G96-L101 WeakPolarHBondContact O-CG 3.42Å; G96-L101 PolarHBondContact O-N 3.17Å |
| 97 | R | 94.7 | Very high | 96.1 | Very high | 128 Ų | 128 | 65.8 Ų | 65.8 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -72.1 | -49.8 | -177.1 | -65.2 | 179.6 | -167.6 | 125.5 | -1.7 | 113.6 | M71 K93 A102 | M71-R97 HydrophobicContact CE-CG 4.22Å; K93-R97 WeakPolarHBondContact O-CG 3.29Å; K93-R97 PolarHBondContact O-N 3.41Å; K93-R97 VanDerWaalsContact O-N 3.13Å; R97-A102 PolarHBondContact O-N 3.04Å |
| 98 | N | 95.1 | Very high | 96.2 | Very high | 129 Ų | 129 | 68.2 Ų | 68.2 | 69% | 0.69 | 35% | 0.351 | S | S | * | . | I | π-helix | trans | -83.2 | -27.8 | -168.6 | -61.6 | -6.7 | 0 | 0 | 0 | 113.1 | S94 A102 | S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.34Å; S94-N98 PolarHBondContact O-N 3.47Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å |
| 99 | K | 95.5 | Very high | 96.3 | Very high | 107 Ų | 107 | 66.6 Ų | 66.6 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -108.3 | -64.3 | -178.1 | -172 | 178.1 | 179.6 | 179.1 | 0 | 111.1 | I95 Q103 | I95-K99 HydrophobicContact CG2-CB 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.31Å; I95-K99 PolarHBondContact O-N 3.26Å; K99-Q103 WeakPolarHBondContact O-CB 3.29Å; K99-Q103 WeakPolarHBondContact O-CG 3.42Å; K99-Q103 PolarHBondContact O-N 2.92Å |
| 100 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -69.7 | -50.8 | -167.3 | -60.3 | 178.7 | 0 | 0 | 0 | 113 | L73 L75 V79 L82 V91 I95 G96 G104 L105 A106 | L73-L100 HydrophobicContact CD1-CB 4.26Å; L73-L100 HydrophobicContact CD1-CD1 4Å; L75-L100 HydrophobicContact CD2-CD1 4.42Å; V79-L100 HydrophobicContact CG1-CD2 4.47Å; V79-L100 HydrophobicContact CG2-CD2 4.45Å; L82-L100 HydrophobicContact CD1-CD1 4.06Å; L82-L100 HydrophobicContact CD1-CD2 3.95Å; V91-L100 HydrophobicContact CG1-CD1 4.27Å; V91-L100 HydrophobicContact CG2-CD1 4.19Å; I95-L100 HydrophobicContact CG2-CG 4.44Å; I95-L100 PolarHBondContact O-N 3.39Å; I95-L100 VanDerWaalsContact O-N 3.12Å; G96-L100 PolarHBondContact O-N 2.97Å; L100-G104 PolarHBondContact O-N 2.99Å; L100-L105 HydrophobicContact CD2-CB 4.19Å; L100-L105 HydrophobicContact CD2-CD1 4.32Å; L100-L105 PolarHBondContact O-N 2.66Å; L100-A106 HydrophobicContact CB-CB 3.82Å; L100-A106 HydrophobicContact CD1-CB 4.48Å; L100-A106 PolarHBondContact O-N 3.19Å |
| 101 | L | 96.3 | Very high | 96.3 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -71.3 | -43.8 | 179.9 | -68.3 | 173.2 | 0 | 0 | 0 | 111.5 | L73 G96 Q103 G104 A106 Y108 | L73-L101 HydrophobicContact CD1-CG 4.36Å; L73-L101 HydrophobicContact CD2-CD1 4.31Å; L73-L101 HydrophobicContact CD2-CD2 3.95Å; L73-L101 HydrophobicContact CD2-CG 4.28Å; G96-L101 WeakPolarHBondContact O-CB 3.29Å; G96-L101 VanDerWaalsContact O-CG 3.31Å; G96-L101 WeakPolarHBondContact O-CG 3.42Å; G96-L101 PolarHBondContact O-N 3.17Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.93Å; L101-G104 PolarHBondContact O-N 3.12Å; L101-G104 VanDerWaalsContact O-N 3.09Å; L101-A106 WeakPolarHBondContact CD2-O 3.33Å; L101-Y108 HydrophobicContact CD1-CE1 3.84Å; L101-Y108 HydrophobicContact CD1-CE2 3.9Å; L101-Y108 VanDerWaalsContact CD1-CZ 3.42Å; L101-Y108 VanDerWaalsContact CD1-OH 3.32Å; L101-Y108 WeakPolarHBondContact CD1-OH 3.17Å; L101-Y108 HydrophobicContact CD2-CD2 4.36Å; L101-Y108 HydrophobicContact CD2-CE2 4.23Å |
| 102 | A | 95.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 63% | 0.628 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | R97 N98 | R97-A102 PolarHBondContact O-N 3.04Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å |
| 103 | Q | 96.7 | Very high | 96.4 | Very high | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.6 | 177.7 | -63.4 | 176.7 | -22.6 | 0 | 0 | 113.3 | K99 L101 L105 | K99-Q103 WeakPolarHBondContact O-CB 3.29Å; K99-Q103 WeakPolarHBondContact O-CG 3.42Å; K99-Q103 PolarHBondContact O-N 2.92Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.93Å; Q103-L105 HydrophobicContact CB-CD1 4.04Å; Q103-L105 HydrophobicContact CB-CG 3.84Å; Q103-L105 PolarHBondContact O-N 3.16Å; Q103-L105 VanDerWaalsContact OE1-CD1 3.26Å |
| 104 | G | 96.2 | Very high | 96.5 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 17.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | T76 L100 L101 A106 | T76-G104 PolarHBondContact OG1-O 3.5Å; L100-G104 PolarHBondContact O-N 2.99Å; L101-G104 PolarHBondContact O-N 3.12Å; L101-G104 VanDerWaalsContact O-N 3.09Å; G104-A106 VanDerWaalsContact C-N 3.27Å |
| 105 | L | 97 | Very high | 96.6 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -78.8 | -12.1 | 179.1 | -60.9 | 176.8 | 0 | 0 | 0 | 113.1 | T76 Q77 V79 L100 Q103 | T76-L105 PolarHBondContact N-O 3.21Å; T76-L105 WeakPolarHBondContact OG1-CA 3.26Å; T76-L105 PolarHBondContact OG1-O 2.93Å; T76-L105 VanDerWaalsContact OG1-O 3.06Å; Q77-L105 HydrophobicContact CB-CD2 4.27Å; V79-L105 HydrophobicContact CG2-CB 4.11Å; V79-L105 HydrophobicContact CG2-CD1 4.19Å; L100-L105 HydrophobicContact CD2-CB 4.19Å; L100-L105 HydrophobicContact CD2-CD1 4.32Å; L100-L105 PolarHBondContact O-N 2.66Å; Q103-L105 HydrophobicContact CB-CD1 4.04Å; Q103-L105 HydrophobicContact CB-CG 3.84Å; Q103-L105 PolarHBondContact O-N 3.16Å; Q103-L105 VanDerWaalsContact OE1-CD1 3.26Å |
| 106 | A | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | L73 I74 L75 L100 L101 G104 | L73-A106 HydrophobicContact CB-CB 4.09Å; L73-A106 HydrophobicContact CD1-CB 4.22Å; I74-A106 CarbonylContact O-C 3.53Å; I74-A106 WeakPolarHBondContact O-CA 3.49Å; I74-A106 WeakPolarHBondContact O-CB 3.39Å; L75-A106 HydrophobicContact CD2-CB 4.08Å; L100-A106 HydrophobicContact CB-CB 3.82Å; L100-A106 HydrophobicContact CD1-CB 4.48Å; L100-A106 PolarHBondContact O-N 3.19Å; L101-A106 WeakPolarHBondContact CD2-O 3.33Å; G104-A106 VanDerWaalsContact C-N 3.27Å |
| 107 | V | 97.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.5 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | I74 T76 N113 | I74-V107 PolarHBondContact N-O 3.38Å; I74-V107 PolarHBondContact O-N 3.14Å; T76-V107 HydrophobicContact CG2-CB 4.49Å; T76-V107 HydrophobicContact CG2-CG2 3.5Å; T76-V107 VanDerWaalsContact CG2-CG2 3.5Å; V107-N113 WeakPolarHBondContact CG1-ND2 3.46Å |
| 108 | Y | 97.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 68.6 Ų | 68.6 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | trans | -60.4 | 144.8 | 173.1 | -73.1 | -70.1 | 0 | 0 | 0 | 112.2 | M71 L73 L101 S110 N113 | M71-Y108 HydrophobicContact CE-CE1 4.49Å; M71-Y108 HydrophobicContact SD-CE1 4.5Å; L73-Y108 HydrophobicContact CD2-CD1 3.99Å; L73-Y108 HydrophobicContact CD2-CE1 4.33Å; L101-Y108 HydrophobicContact CD1-CE1 3.84Å; L101-Y108 HydrophobicContact CD1-CE2 3.9Å; L101-Y108 VanDerWaalsContact CD1-CZ 3.42Å; L101-Y108 VanDerWaalsContact CD1-OH 3.32Å; L101-Y108 WeakPolarHBondContact CD1-OH 3.17Å; L101-Y108 HydrophobicContact CD2-CD2 4.36Å; L101-Y108 HydrophobicContact CD2-CE2 4.23Å; Y108-S110 PolarHBondContact O-N 2.99Å; Y108-N113 PolarHBondContact O-ND2 2.81Å | ||
| 109 | P | 97.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 68.4 Ų | 68.4 | 21% | 0.214 | 37% | 0.369 | C | S | . | . | trans | -80.6 | 57.8 | -177.6 | 36.2 | -38.3 | 0 | 0 | 0 | 111.8 | E72 I74 K114 | E72-P109 HydrophobicContact CB-CG 4.04Å; E72-P109 HydrophobicContact CG-CB 4.08Å; E72-P109 HydrophobicContact CG-CG 3.9Å; E72-P109 VanDerWaalsContact O-CD 3.32Å; E72-P109 WeakPolarHBondContact O-CD 3.43Å; E72-P109 WeakPolarHBondContact O-CG 3.43Å; I74-P109 HydrophobicContact CD1-CB 4.22Å; I74-P109 HydrophobicContact CG1-CB 4.16Å; P109-K114 WeakPolarHBondContact O-CE 3.4Å | ||
| 110 | S | 97.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | trans | -65.8 | 153.4 | 171.5 | 76.1 | 0 | 0 | 0 | 0 | 110.2 | Y108 E112 N113 K114 | Y108-S110 PolarHBondContact O-N 2.99Å; S110-E112 PolarHBondContact O-N 3.15Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-N113 WeakPolarHBondContact OG-CB 3.47Å; S110-N113 PolarHBondContact OG-N 3.5Å; S110-N113 PolarHBondContact OG-ND2 2.89Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 2.91Å | ||
| 111 | P | 97.7 | Very high | 95.8 | Very high | 95 Ų | 95 | 69.8 Ų | 69.8 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.2 | -37.7 | 178.2 | 23.1 | -33.4 | 0 | 0 | 0 | 112.1 | K114 Q115 | P111-K114 PolarHBondContact O-N 2.67Å; P111-Q115 WeakPolarHBondContact O-CG 3.35Å; P111-Q115 PolarHBondContact O-N 2.84Å; P111-Q115 VanDerWaalsContact O-N 3.1Å |
| 112 | E | 97.5 | Very high | 95.4 | Very high | 138 Ų | 138 | 75.5 Ų | 75.5 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 175.1 | -63.4 | 173.3 | -177.1 | 0 | 0 | 111.6 | S110 K114 Q115 I116 | S110-E112 PolarHBondContact O-N 3.15Å; E112-K114 VanDerWaalsContact C-N 3.32Å; E112-K114 PolarHBondContact O-N 3.36Å; E112-Q115 WeakPolarHBondContact O-CB 3.27Å; E112-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 VanDerWaalsContact O-N 3.16Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.06Å |
| 113 | N | 96.8 | Very high | 95 | Very high | 37 Ų | 37 | 77.6 Ų | 77.6 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.8 | -68.4 | -22.3 | 0 | 0 | 0 | 111.4 | I74 V107 Y108 S110 Q115 I116 F117 | I74-N113 HydrophobicContact CD1-CB 4.37Å; V107-N113 WeakPolarHBondContact CG1-ND2 3.46Å; Y108-N113 PolarHBondContact O-ND2 2.81Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-N113 WeakPolarHBondContact OG-CB 3.47Å; S110-N113 PolarHBondContact OG-N 3.5Å; S110-N113 PolarHBondContact OG-ND2 2.89Å; N113-Q115 VanDerWaalsContact C-N 3.28Å; N113-Q115 PolarHBondContact O-N 3.5Å; N113-I116 PolarHBondContact O-N 2.82Å; N113-F117 HydrophobicContact CB-CD2 4.48Å; N113-F117 WeakPolarHBondContact O-CD2 3.27Å; N113-F117 PolarHBondContact O-N 2.88Å |
| 114 | K | 96.3 | Very high | 94.3 | Very high | 88 Ų | 88 | 76.1 Ų | 76.1 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 175.6 | -73.5 | -175.8 | -177.8 | -165.4 | 0 | 111.7 | E72 I74 P109 S110 P111 E112 A118 | E72-K114 WeakPolarHBondContact OE1-CE 3.44Å; E72-K114 IonicContact OE1-NZ 2.83Å; E72-K114 PolarHBondContact OE1-NZ 3Å; E72-K114 IonicContact OE2-NZ 2.91Å; I74-K114 HydrophobicContact CD1-CG 3.77Å; P109-K114 WeakPolarHBondContact O-CE 3.4Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 2.91Å; P111-K114 PolarHBondContact O-N 2.67Å; E112-K114 VanDerWaalsContact C-N 3.32Å; E112-K114 PolarHBondContact O-N 3.36Å; K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 2.99Å |
| 115 | Q | 97 | Very high | 93.5 | Very high | 121 Ų | 121 | 83.2 Ų | 83.2 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 177 | -70.5 | 170.4 | 7.8 | 0 | 0 | 111.3 | P111 E112 N113 F117 A118 E119 | P111-Q115 WeakPolarHBondContact O-CG 3.35Å; P111-Q115 PolarHBondContact O-N 2.84Å; P111-Q115 VanDerWaalsContact O-N 3.1Å; E112-Q115 WeakPolarHBondContact O-CB 3.27Å; E112-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 VanDerWaalsContact O-N 3.16Å; N113-Q115 VanDerWaalsContact C-N 3.28Å; N113-Q115 PolarHBondContact O-N 3.5Å; Q115-F117 PolarHBondContact O-N 3.17Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-A118 VanDerWaalsContact O-N 3.14Å; Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 3.44Å |
| 116 | I | 96 | Very high | 93 | Very high | 94 Ų | 94 | 87.8 Ų | 87.8 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.1 | -49.5 | 179 | -65.8 | 163.5 | 0 | 0 | 0 | 111.1 | E112 N113 A118 E119 E120 | E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.06Å; N113-I116 PolarHBondContact O-N 2.82Å; I116-A118 PolarHBondContact O-N 3.26Å; I116-E119 PolarHBondContact O-N 3.46Å; I116-E120 WeakPolarHBondContact O-CB 3.21Å; I116-E120 PolarHBondContact O-N 3.36Å |
| 117 | F | 95.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 88.9 Ų | 88.9 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70.6 | -30.6 | 179.8 | -75.3 | -68.8 | 0 | 0 | 0 | 112.9 | I74 T76 N113 Q115 L121 | I74-F117 HydrophobicContact CB-CD2 4.37Å; I74-F117 HydrophobicContact CB-CE2 4.48Å; I74-F117 HydrophobicContact CD1-CD2 4.2Å; I74-F117 HydrophobicContact CG2-CB 4.42Å; I74-F117 HydrophobicContact CG2-CD1 4.43Å; I74-F117 HydrophobicContact CG2-CD2 3.57Å; I74-F117 HydrophobicContact CG2-CE2 3.9Å; I74-F117 HydrophobicContact CG2-CG 3.89Å; I74-F117 HydrophobicContact CG2-CZ 4.46Å; T76-F117 HydrophobicContact CG2-CZ 4.12Å; N113-F117 HydrophobicContact CB-CD2 4.48Å; N113-F117 WeakPolarHBondContact O-CD2 3.27Å; N113-F117 PolarHBondContact O-N 2.88Å; Q115-F117 PolarHBondContact O-N 3.17Å; F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.47Å; F117-L121 PolarHBondContact O-N 2.99Å |
| 118 | A | 93.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 92.9 Ų | 92.9 | 49% | 0.488 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K114 Q115 I116 L121 R122 | K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 2.99Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-A118 VanDerWaalsContact O-N 3.14Å; I116-A118 PolarHBondContact O-N 3.26Å; A118-L121 PolarHBondContact O-N 2.96Å; A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.13Å |
| 119 | E | 93.5 | Very high | 88.5 | Confident | 124 Ų | 124 | 90.1 Ų | 90.1 | 58% | 0.579 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 173.6 | -72.5 | 177.6 | -177.3 | 0 | 0 | 111.4 | Q115 I116 L121 R122 L123 | Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 3.44Å; I116-E119 PolarHBondContact O-N 3.46Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.11Å; E119-R122 WeakPolarHBondContact O-CB 3.38Å; E119-R122 PolarHBondContact O-N 3.39Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3Å |
| 120 | E | 89.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 174.2 | -173.6 | -178.3 | 173.5 | 0 | 0 | 111 | R85 I116 R122 L123 L124 | R85-E120 IonicContact CZ-OE1 3.7Å; R85-E120 VanDerWaalsContact CZ-OE1 3.23Å; R85-E120 IonicContact CZ-OE2 2.79Å; R85-E120 IonicContact NE-OE1 3.23Å; R85-E120 PolarHBondContact NE-OE1 3.03Å; R85-E120 IonicContact NE-OE2 2.76Å; R85-E120 VanDerWaalsContact NH2-CD 3.28Å; R85-E120 IonicContact NH2-OE1 3.73Å; R85-E120 PolarHBondContact NH2-OE1 2.96Å; R85-E120 IonicContact NH2-OE2 3.58Å; R85-E120 PolarHBondContact NH2-OE2 3.23Å; I116-E120 WeakPolarHBondContact O-CB 3.21Å; I116-E120 PolarHBondContact O-N 3.36Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.21Å; E120-L123 PolarHBondContact O-N 3.15Å; E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CB 3.29Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.45Å; E120-L124 PolarHBondContact O-N 3.24Å |
| 121 | L | 87.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 102.7 Ų | 102.7 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.3 | -166.7 | 78 | 0 | 0 | 0 | 112.1 | F117 A118 E119 L124 R125 | F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.47Å; F117-L121 PolarHBondContact O-N 2.99Å; A118-L121 PolarHBondContact O-N 2.96Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.11Å; L121-L124 PolarHBondContact O-N 3.01Å; L121-R125 PolarHBondContact O-N 2.73Å |
| 122 | R | 89 | Confident | 83.8 | Confident | 159 Ų | 159 | 103 Ų | 103 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -49.6 | 175.8 | -179.2 | -178.2 | 175.5 | -174.2 | -3.5 | 110.9 | A118 E119 E120 L124 R125 E126 | A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.13Å; E119-R122 WeakPolarHBondContact O-CB 3.38Å; E119-R122 PolarHBondContact O-N 3.39Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.21Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.03Å; R122-R125 PolarHBondContact O-N 3.21Å; R122-R125 VanDerWaalsContact O-N 3.12Å; R122-E126 HydrophobicContact CG-CG 4.46Å; R122-E126 WeakPolarHBondContact CG-OE1 3.29Å; R122-E126 IonicContact CZ-OE1 3.44Å; R122-E126 IonicContact NE-OE1 3.86Å; R122-E126 PolarHBondContact NE-OE1 2.77Å; R122-E126 IonicContact NE-OE2 3.94Å; R122-E126 IonicContact NH2-OE1 2.8Å; R122-E126 PolarHBondContact NH2-OE1 3.43Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.21Å |
| 123 | L | 87.4 | Confident | 82.6 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -38.4 | 177.3 | -69.7 | 174.8 | 0 | 0 | 0 | 111.8 | E119 E120 R125 E126 G127 | E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3Å; E120-L123 PolarHBondContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.78Å; L123-E126 PolarHBondContact O-N 3.04Å; L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.34Å |
| 124 | L | 80.8 | Confident | 81.6 | Confident | 89 Ų | 89 | 104 Ų | 104 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 175.2 | -73.7 | 173.2 | 0 | 0 | 0 | 112.9 | E120 L121 R122 R132 | E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CB 3.29Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.45Å; E120-L124 PolarHBondContact O-N 3.24Å; L121-L124 PolarHBondContact O-N 3.01Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.03Å; L124-R132 PolarHBondContact O-NE 3.32Å |
| 125 | R | 80.5 | Confident | 80.9 | Confident | 188 Ų | 188 | 103.9 Ų | 103.9 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.7 | -40 | 177.7 | -174.9 | 177.6 | -73.6 | 153.1 | -1.8 | 111.9 | L121 R122 L123 R132 | L121-R125 PolarHBondContact O-N 2.73Å; R122-R125 PolarHBondContact O-N 3.21Å; R122-R125 VanDerWaalsContact O-N 3.12Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.78Å; R125-R132 PolarHBondContact O-NH2 2.9Å; R125-R132 VanDerWaalsContact O-NH2 3.08Å |
| 126 | E | 85.5 | Confident | 80.1 | Confident | 123 Ų | 123 | 102.8 Ų | 102.8 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.2 | -29.4 | 179.9 | -68.4 | 174.7 | -175 | 0 | 0 | 112.6 | R122 L123 | R122-E126 HydrophobicContact CG-CG 4.46Å; R122-E126 WeakPolarHBondContact CG-OE1 3.29Å; R122-E126 IonicContact CZ-OE1 3.44Å; R122-E126 IonicContact NE-OE1 3.86Å; R122-E126 PolarHBondContact NE-OE1 2.77Å; R122-E126 IonicContact NE-OE2 3.94Å; R122-E126 IonicContact NH2-OE1 2.8Å; R122-E126 PolarHBondContact NH2-OE1 3.43Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.21Å; L123-E126 PolarHBondContact O-N 3.04Å |
| 127 | G | 74.1 | Confident | 79.6 | Confident | 27 Ų | 27 | 102.8 Ų | 102.8 | 28% | 0.278 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -62.5 | 155.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | L123 R132 | L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.34Å; G127-R132 PolarHBondContact O-NH2 2.95Å |
| 128 | Q | 64.3 | Low | 79.3 | Confident | 133 Ų | 133 | 101.9 Ų | 101.9 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | trans | -57.7 | 143 | 178.3 | -67.6 | -151.8 | 5 | 0 | 0 | 111.3 | E130 Q131 | Q128-E130 PolarHBondContact O-N 3.38Å; Q128-E130 VanDerWaalsContact O-N 3.1Å; Q128-Q131 PolarHBondContact O-N 3.33Å | ||
| 129 | P | 60.9 | Low | 79 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -57.8 | -29.1 | -176.8 | 23.7 | -33.6 | 0 | 0 | 0 | 112.6 | Q131 R132 M206 | P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.39Å; P129-R132 PolarHBondContact O-N 2.96Å; P129-M206 WeakPolarHBondContact O-CE 3.24Å |
| 130 | E | 60.5 | Low | 78.9 | Confident | 165 Ų | 165 | 102 Ų | 102 | 77% | 0.771 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -67.2 | -24.6 | -175.7 | -59 | -176.3 | -180 | 0 | 0 | 114.6 | Q128 | Q128-E130 PolarHBondContact O-N 3.38Å; Q128-E130 VanDerWaalsContact O-N 3.1Å |
| 131 | Q | 63.9 | Low | 79 | Confident | 167 Ų | 167 | 101.7 Ų | 101.7 | 78% | 0.78 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -92.5 | -3.1 | 178.6 | -74.5 | 177.1 | -3.8 | 0 | 0 | 113.5 | Q128 P129 L133 | Q128-Q131 PolarHBondContact O-N 3.33Å; P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.39Å; Q131-L133 PolarHBondContact O-N 3.48Å |
| 132 | R | 69.6 | Low | 79.2 | Confident | 103 Ų | 103 | 98 Ų | 98 | 39% | 0.389 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 131.3 | -179.5 | -63.1 | -178.9 | -172.7 | 159.3 | 6.1 | 109.3 | L124 R125 G127 P129 M206 | L124-R132 PolarHBondContact O-NE 3.32Å; R125-R132 PolarHBondContact O-NH2 2.9Å; R125-R132 VanDerWaalsContact O-NH2 3.08Å; G127-R132 PolarHBondContact O-NH2 2.95Å; P129-R132 PolarHBondContact O-N 2.96Å; R132-M206 HydrophobicContact CB-CE 3.91Å; R132-M206 HydrophobicContact CB-SD 3.93Å; R132-M206 WeakPolarHBondContact O-CE 3.46Å |
| 133 | L | 72.3 | Confident | 79.5 | Confident | 165 Ų | 165 | 95.1 Ų | 95.1 | 86% | 0.864 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 136.7 | 167.3 | -64.5 | 176.5 | 0 | 0 | 0 | 108.4 | Q131 T135 | Q131-L133 PolarHBondContact O-N 3.48Å; L133-T135 PolarHBondContact O-N 3.14Å |
| 134 | Q | 75.4 | Confident | 79.8 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 14% | 0.136 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 132.8 | 179.3 | -170.5 | 151.9 | -68.2 | 0 | 0 | 110.6 | G138 L139 V142 D207 | Q134-G138 PolarHBondContact NE2-O 2.96Å; Q134-L139 HydrophobicContact CB-CD2 3.99Å; Q134-L139 HydrophobicContact CB-CG 4.14Å; Q134-L139 HydrophobicContact CG-CD2 4.16Å; Q134-L139 HydrophobicContact CG-CG 4.13Å; Q134-V142 VanDerWaalsContact NE2-CG2 3.3Å; Q134-D207 PolarHBondContact NE2-OD2 3.34Å; Q134-D207 PolarHBondContact OE1-OD2 3.18Å |
| 135 | T | 82.7 | Confident | 80.4 | Confident | 86 Ų | 86 | 89.6 Ų | 89.6 | 53% | 0.528 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.8 | 175.1 | -46.3 | 0 | 0 | 0 | 0 | 110.1 | L133 T137 G138 L139 | L133-T135 PolarHBondContact O-N 3.14Å; T135-T137 PolarHBondContact O-N 2.95Å; T135-T137 VanDerWaalsContact O-N 3.14Å; T135-G138 WeakPolarHBondContact O-CA 3.47Å; T135-G138 PolarHBondContact O-N 3.14Å; T135-L139 PolarHBondContact O-N 3.17Å |
| 136 | R | 80.6 | Confident | 81.1 | Confident | 99 Ų | 99 | 87.6 Ų | 87.6 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -48.4 | -44.3 | 174.8 | -167.6 | -170 | 79.7 | 150.7 | 7.1 | 112.6 | T78 E80 G138 L139 M140 | T78-R136 HydrophobicContact CG2-CB 4.22Å; E80-R136 VanDerWaalsContact CG-NH1 3.31Å; E80-R136 IonicContact OE1-NH1 3.51Å; R136-G138 VanDerWaalsContact C-N 3.32Å; R136-G138 PolarHBondContact O-N 3.22Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.31Å; R136-M140 PolarHBondContact O-N 3.49Å |
| 137 | T | 85.3 | Confident | 81.5 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | T135 M140 T141 | T135-T137 PolarHBondContact O-N 2.95Å; T135-T137 VanDerWaalsContact O-N 3.14Å; T137-M140 PolarHBondContact O-N 3.24Å; T137-T141 PolarHBondContact O-N 3.19Å; T137-T141 PolarHBondContact O-OG1 3.46Å |
| 138 | G | 87.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 91.1 Ų | 91.1 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q134 T135 R136 M140 T141 V142 | Q134-G138 PolarHBondContact NE2-O 2.96Å; T135-G138 WeakPolarHBondContact O-CA 3.47Å; T135-G138 PolarHBondContact O-N 3.14Å; R136-G138 VanDerWaalsContact C-N 3.32Å; R136-G138 PolarHBondContact O-N 3.22Å; G138-M140 PolarHBondContact O-N 2.85Å; G138-T141 WeakPolarHBondContact O-CB 3.33Å; G138-T141 PolarHBondContact O-N 2.91Å; G138-V142 WeakPolarHBondContact O-CG2 3.47Å; G138-V142 PolarHBondContact O-N 3.38Å |
| 139 | L | 88.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 44% | 0.44 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 175.5 | -67.1 | 173.1 | 0 | 0 | 0 | 112 | Q134 T135 R136 T141 V142 E143 | Q134-L139 HydrophobicContact CB-CD2 3.99Å; Q134-L139 HydrophobicContact CB-CG 4.14Å; Q134-L139 HydrophobicContact CG-CD2 4.16Å; Q134-L139 HydrophobicContact CG-CG 4.13Å; T135-L139 PolarHBondContact O-N 3.17Å; R136-L139 PolarHBondContact O-N 3.16Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.43Å; L139-V142 PolarHBondContact O-N 3.03Å; L139-E143 PolarHBondContact O-N 2.86Å |
| 140 | M | 89.7 | Confident | 85.4 | Confident | 102 Ų | 102 | 89.3 Ų | 89.3 | 50% | 0.502 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176 | -66.8 | -72.6 | 170.6 | 0 | 0 | 111.8 | R136 T137 G138 E143 L144 | R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.31Å; R136-M140 PolarHBondContact O-N 3.49Å; T137-M140 PolarHBondContact O-N 3.24Å; G138-M140 PolarHBondContact O-N 2.85Å; M140-E143 PolarHBondContact O-N 3.18Å; M140-L144 WeakPolarHBondContact O-CB 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å |
| 141 | T | 92.1 | Very high | 87 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 174.6 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | T137 G138 L139 E143 L144 L145 V203 | T137-T141 PolarHBondContact O-N 3.19Å; T137-T141 PolarHBondContact O-OG1 3.46Å; G138-T141 WeakPolarHBondContact O-CB 3.33Å; G138-T141 PolarHBondContact O-N 2.91Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.43Å; T141-E143 PolarHBondContact O-N 3.41Å; T141-L144 WeakPolarHBondContact O-CB 2.77Å; T141-L144 PolarHBondContact O-N 3.47Å; T141-L145 HydrophobicContact CG2-CD1 4.02Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 WeakPolarHBondContact O-CB 3.31Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 2.95Å; T141-V203 HydrophobicContact CG2-CG2 4.34Å |
| 142 | V | 93.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.9 | 164.5 | 0 | 0 | 0 | 0 | 111.4 | Q134 G138 L139 L144 L145 K146 V203 D207 V209 | Q134-V142 VanDerWaalsContact NE2-CG2 3.3Å; G138-V142 WeakPolarHBondContact O-CG2 3.47Å; G138-V142 PolarHBondContact O-N 3.38Å; L139-V142 PolarHBondContact O-N 3.03Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.88Å; V142-L145 PolarHBondContact O-N 3.13Å; V142-K146 HydrophobicContact CG1-CD 4.18Å; V142-K146 WeakPolarHBondContact O-CB 3.46Å; V142-K146 VanDerWaalsContact O-CG 3.31Å; V142-K146 WeakPolarHBondContact O-CG 3.34Å; V142-K146 PolarHBondContact O-N 3.42Å; V142-V203 HydrophobicContact CG2-CB 3.9Å; V142-V203 HydrophobicContact CG2-CG1 4.26Å; V142-V203 HydrophobicContact CG2-CG2 3.72Å; V142-D207 HydrophobicContact CG2-CB 3.73Å; V142-V209 HydrophobicContact CB-CG2 4.24Å; V142-V209 HydrophobicContact CG1-CG2 3.77Å; V142-V209 HydrophobicContact CG2-CG2 4.01Å |
| 143 | E | 93.6 | Very high | 89.4 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 45% | 0.453 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.5 | -73 | -179.3 | -164.8 | 0 | 0 | 112.6 | L139 M140 T141 R147 | L139-E143 PolarHBondContact O-N 2.86Å; M140-E143 PolarHBondContact O-N 3.18Å; T141-E143 PolarHBondContact O-N 3.41Å; E143-R147 PolarHBondContact O-N 3.44Å |
| 144 | L | 93.9 | Very high | 90.2 | Very high | 92 Ų | 92 | 72.7 Ų | 72.7 | 48% | 0.482 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -52.6 | 174.4 | 178.9 | 65.9 | 0 | 0 | 0 | 110.4 | M140 T141 V142 K146 R147 T148 I177 | M140-L144 WeakPolarHBondContact O-CB 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å; T141-L144 WeakPolarHBondContact O-CB 2.77Å; T141-L144 PolarHBondContact O-N 3.47Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.88Å; L144-K146 VanDerWaalsContact C-N 3.31Å; L144-K146 PolarHBondContact O-N 2.8Å; L144-R147 PolarHBondContact O-N 2.95Å; L144-T148 HydrophobicContact CG-CG2 4.41Å; L144-T148 WeakPolarHBondContact O-CG2 3.15Å; L144-T148 PolarHBondContact O-N 3.25Å; L144-I177 HydrophobicContact CD2-CD1 3.84Å; L144-I177 HydrophobicContact CD2-CG1 4.42Å; L144-I177 HydrophobicContact CG-CD1 4.33Å |
| 145 | L | 94.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | -178.7 | -69.5 | 176.4 | 0 | 0 | 0 | 112 | T141 V142 R147 T148 I177 I201 V203 V209 I211 | T141-L145 HydrophobicContact CG2-CD1 4.02Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 WeakPolarHBondContact O-CB 3.31Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 2.95Å; V142-L145 PolarHBondContact O-N 3.13Å; L145-R147 PolarHBondContact O-N 3.38Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-T148 PolarHBondContact O-OG1 3.07Å; L145-I177 HydrophobicContact CD2-CD1 4.07Å; L145-I201 HydrophobicContact CD1-CB 4.49Å; L145-I201 HydrophobicContact CD1-CG2 4.12Å; L145-V203 HydrophobicContact CD1-CG2 3.7Å; L145-V209 HydrophobicContact CB-CB 4.33Å; L145-V209 HydrophobicContact CB-CG1 3.93Å; L145-I211 HydrophobicContact CB-CD1 4.06Å; L145-I211 HydrophobicContact CD2-CD1 3.8Å; L145-I211 HydrophobicContact CG-CD1 4.37Å |
| 146 | K | 94.3 | Very high | 90.8 | Very high | 146 Ų | 146 | 76.9 Ų | 76.9 | 64% | 0.635 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -29.6 | 175.8 | -77.8 | 174.8 | 179.1 | 176.7 | 0 | 113.6 | V142 L144 V209 | V142-K146 HydrophobicContact CG1-CD 4.18Å; V142-K146 WeakPolarHBondContact O-CB 3.46Å; V142-K146 VanDerWaalsContact O-CG 3.31Å; V142-K146 WeakPolarHBondContact O-CG 3.34Å; V142-K146 PolarHBondContact O-N 3.42Å; L144-K146 VanDerWaalsContact C-N 3.31Å; L144-K146 PolarHBondContact O-N 2.8Å; K146-V209 HydrophobicContact CG-CG1 3.83Å |
| 147 | R | 93.8 | Very high | 91 | Very high | 207 Ų | 207 | 75 Ų | 75 | 78% | 0.781 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -89.5 | -14.1 | 178.6 | -64.6 | 177.4 | -175.1 | 172.3 | 5.5 | 112.8 | E143 L144 L145 | E143-R147 PolarHBondContact O-N 3.44Å; L144-R147 PolarHBondContact O-N 2.95Å; L145-R147 PolarHBondContact O-N 3.38Å |
| 148 | T | 93.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 77.9 Ų | 77.9 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | trans | -80.4 | 147.4 | -176.6 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | L144 L145 L175 I177 | L144-T148 HydrophobicContact CG-CG2 4.41Å; L144-T148 WeakPolarHBondContact O-CG2 3.15Å; L144-T148 PolarHBondContact O-N 3.25Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-T148 PolarHBondContact O-OG1 3.07Å; T148-L175 HydrophobicContact CG2-CD1 4.25Å; T148-I177 HydrophobicContact CG2-CD1 4.47Å | ||
| 149 | K | 94.4 | Very high | 90.5 | Very high | 161 Ų | 161 | 84.2 Ų | 84.2 | 70% | 0.7 | 41% | 0.414 | S | S | * | . | trans | -132 | 130.2 | 169.2 | -55.9 | -173.7 | 178.4 | 179.2 | 0 | 107.7 | P212 | K149-P212 HydrophobicContact CB-CG 4.17Å; K149-P212 HydrophobicContact CD-CG 4.42Å; K149-P212 HydrophobicContact CG-CG 3.81Å | ||
| 150 | L | 94.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.8 | -176.5 | -174.7 | 67 | 0 | 0 | 0 | 110.2 | I152 V167 Q170 F171 L175 P212 I213 S214 | L150-I152 HydrophobicContact CD2-CD1 3.74Å; L150-I152 HydrophobicContact CD2-CG1 3.95Å; L150-I152 HydrophobicContact CG-CD1 4.23Å; L150-I152 HydrophobicContact CG-CG1 3.88Å; L150-V167 HydrophobicContact CD2-CG1 3.89Å; L150-Q170 HydrophobicContact CD1-CB 4.28Å; L150-Q170 HydrophobicContact CD2-CB 4.44Å; L150-F171 HydrophobicContact CB-CZ 4.35Å; L150-F171 HydrophobicContact CD2-CD2 3.8Å; L150-F171 HydrophobicContact CD2-CE2 3.54Å; L150-F171 HydrophobicContact CD2-CG 4.38Å; L150-F171 HydrophobicContact CD2-CZ 3.91Å; L150-L175 HydrophobicContact CD1-CD1 4.24Å; L150-P212 PolarHBondContact N-O 3.42Å; L150-I213 HydrophobicContact CB-CG1 4.27Å; L150-I213 HydrophobicContact CD2-CD1 4.26Å; L150-I213 HydrophobicContact CD2-CG1 4.34Å; L150-I213 CarbonylContact O-C 3.52Å; L150-I213 VanDerWaalsContact O-CA 3.26Å; L150-I213 WeakPolarHBondContact O-CA 3.5Å; L150-S214 PolarHBondContact O-N 3.02Å |
| 151 | K | 94 | Very high | 90.3 | Very high | 130 Ų | 130 | 80.3 Ų | 80.3 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.1 | 170.5 | -63.4 | -179.1 | 179.9 | -177.4 | 0 | 108.3 | K174 L216 | K151-K174 VanDerWaalsContact O-CD 3.29Å; K151-K174 WeakPolarHBondContact O-CD 3.32Å; K151-K174 WeakPolarHBondContact O-CE 3.43Å; K151-K174 PolarHBondContact O-NZ 2.74Å; K151-L216 HydrophobicContact CB-CD1 4.31Å; K151-L216 HydrophobicContact CD-CD1 4.37Å |
| 152 | I | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.6 | 176.7 | -56.6 | -179 | 0 | 0 | 0 | 107.6 | L150 L162 V167 Q170 I213 S214 L215 L216 | L150-I152 HydrophobicContact CD2-CD1 3.74Å; L150-I152 HydrophobicContact CD2-CG1 3.95Å; L150-I152 HydrophobicContact CG-CD1 4.23Å; L150-I152 HydrophobicContact CG-CG1 3.88Å; I152-L162 HydrophobicContact CD1-CD1 3.61Å; I152-L162 HydrophobicContact CD1-CD2 4.24Å; I152-L162 HydrophobicContact CG2-CD1 4.16Å; I152-V167 HydrophobicContact CD1-CG2 4.04Å; I152-Q170 HydrophobicContact CD1-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CG 4.38Å; I152-Q170 HydrophobicContact CG1-CB 4.31Å; I152-Q170 HydrophobicContact CG1-CG 4.24Å; I152-Q170 HydrophobicContact CG2-CG 4.19Å; I152-I213 HydrophobicContact CD1-CG2 3.73Å; I152-I213 HydrophobicContact CG1-CG2 4.1Å; I152-S214 PolarHBondContact N-O 3.06Å; I152-L215 HydrophobicContact CB-CD1 3.96Å; I152-L215 HydrophobicContact CG2-CD1 3.78Å; I152-L215 WeakPolarHBondContact O-CA 3.5Å; I152-L216 PolarHBondContact O-N 3.38Å |
| 153 | I | 91.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 79.7 Ų | 79.7 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.7 | 176.4 | -62.5 | 169.7 | 0 | 0 | 0 | 106.5 | Y218 | I153-Y218 HydrophobicContact CG2-CD2 4.2Å |
| 154 | K | 89.4 | Confident | 90 | Very high | 48 Ų | 48 | 78.3 Ų | 78.3 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.6 | 175.6 | 178.1 | 165.5 | -176.9 | 177.1 | 0 | 109.3 | F160 K192 L194 L215 L216 Y218 | K154-F160 HydrophobicContact CB-CD1 4.35Å; K154-F160 HydrophobicContact CB-CE1 4.44Å; K154-F160 HydrophobicContact CD-CD1 4.28Å; K154-F160 HydrophobicContact CG-CB 4.41Å; K154-F160 HydrophobicContact CG-CD1 3.69Å; K154-F160 HydrophobicContact CG-CE1 4.26Å; K154-F160 HydrophobicContact CG-CG 4.21Å; K154-K192 PolarHBondContact NZ-O 3.06Å; K154-L194 HydrophobicContact CB-CD2 4.09Å; K154-L194 HydrophobicContact CD-CD2 3.88Å; K154-L215 HydrophobicContact CB-CD1 4.24Å; K154-L216 WeakPolarHBondContact CB-O 3.44Å; K154-L216 PolarHBondContact N-O 3.01Å; K154-Y218 VanDerWaalsContact O-CB 3.29Å; K154-Y218 WeakPolarHBondContact O-CB 3.42Å |
| 155 | T | 86.1 | Confident | 90 | Very high | 76 Ų | 76 | 80.9 Ų | 80.9 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 151.1 | 172 | -50.2 | 0 | 0 | 0 | 0 | 109.6 | S157 | T155-S157 PolarHBondContact O-N 3.02Š|
| 156 | L | 83.5 | Confident | 89.9 | Confident | 126 Ų | 126 | 82 Ų | 82 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -60.1 | -9.5 | 178.4 | -73.2 | 173 | 0 | 0 | 0 | 115.5 | Y218 | L156-Y218 HydrophobicContact CD1-CD1 3.72Å; L156-Y218 HydrophobicContact CD1-CE1 3.58Å; L156-Y218 HydrophobicContact CD1-CG 4.33Å; L156-Y218 HydrophobicContact CD2-CD1 3.42Å; L156-Y218 VanDerWaalsContact CD2-CD1 3.42Å; L156-Y218 HydrophobicContact CD2-CE1 4.17Å; L156-Y218 HydrophobicContact CD2-CG 3.77Å; L156-Y218 HydrophobicContact CG-CD1 3.45Å; L156-Y218 VanDerWaalsContact CG-CD1 3.45Å; L156-Y218 HydrophobicContact CG-CD2 4.24Å; L156-Y218 HydrophobicContact CG-CE1 3.84Å; L156-Y218 HydrophobicContact CG-CG 3.64Å |
| 157 | S | 84.7 | Confident | 89.8 | Confident | 61 Ų | 61 | 75 Ų | 75 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | trans | -76.3 | 131.4 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | T155 D159 F160 | T155-S157 PolarHBondContact O-N 3.02Å; S157-D159 PolarHBondContact O-N 3.21Å; S157-F160 VanDerWaalsContact O-CB 3.3Å; S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.15Å | ||
| 158 | D | 78.5 | Confident | 89.9 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.9 | 178.2 | -70.2 | -32.7 | 0 | 0 | 0 | 112.8 | F160 | D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 2.88Å |
| 159 | D | 84.2 | Confident | 89.9 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.5 | 178.9 | -65.5 | -34.5 | 0 | 0 | 0 | 113.7 | S157 Q161 | S157-D159 PolarHBondContact O-N 3.21Å; D159-Q161 PolarHBondContact O-N 2.95Å |
| 160 | F | 85.3 | Confident | 89.9 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | trans | -63.4 | 120.3 | -179.4 | 179.7 | -92.6 | 0 | 0 | 0 | 111.6 | K154 S157 D158 L162 V166 L215 | K154-F160 HydrophobicContact CB-CD1 4.35Å; K154-F160 HydrophobicContact CB-CE1 4.44Å; K154-F160 HydrophobicContact CD-CD1 4.28Å; K154-F160 HydrophobicContact CG-CB 4.41Å; K154-F160 HydrophobicContact CG-CD1 3.69Å; K154-F160 HydrophobicContact CG-CE1 4.26Å; K154-F160 HydrophobicContact CG-CG 4.21Å; S157-F160 VanDerWaalsContact O-CB 3.3Å; S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.15Å; D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 2.88Å; F160-L162 HydrophobicContact CZ-CD1 4.49Å; F160-V166 HydrophobicContact CE2-CG1 4.2Å; F160-V166 HydrophobicContact CZ-CG1 4.02Å; F160-L215 HydrophobicContact CE1-CD1 4.19Å | ||
| 161 | Q | 88.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -118.7 | 133.1 | 174.2 | -65.4 | 178.4 | 27.6 | 0 | 0 | 109.6 | D159 T163 P190 K192 | D159-Q161 PolarHBondContact O-N 2.95Å; Q161-T163 HydrophobicContact CB-CG2 4.45Å; Q161-T163 PolarHBondContact O-N 3.2Å; Q161-T163 VanDerWaalsContact O-N 3.16Å; Q161-P190 HydrophobicContact CB-CB 4.15Å; Q161-P190 HydrophobicContact CG-CB 4.35Å; Q161-K192 HydrophobicContact CG-CG 4.11Å | ||
| 162 | L | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 97.1 | 173.1 | -172.5 | 66.2 | 0 | 0 | 0 | 109.2 | I152 F160 V166 V167 I191 I213 | I152-L162 HydrophobicContact CD1-CD1 3.61Å; I152-L162 HydrophobicContact CD1-CD2 4.24Å; I152-L162 HydrophobicContact CG2-CD1 4.16Å; F160-L162 HydrophobicContact CZ-CD1 4.49Å; L162-V166 HydrophobicContact CD1-CB 4.29Å; L162-V166 HydrophobicContact CD1-CG1 3.92Å; L162-V167 HydrophobicContact CD1-CG2 3.65Å; L162-V167 HydrophobicContact CD2-CG2 4.24Å; L162-V167 HydrophobicContact CG-CG2 3.82Å; L162-I191 HydrophobicContact CB-CB 4.13Å; L162-I191 HydrophobicContact CD2-CD1 4.24Å; L162-I191 PolarHBondContact N-O 2.82Å; L162-I213 HydrophobicContact CD2-CG2 4.43Å |
| 163 | T | 92 | Very high | 89.9 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | trans | -96.9 | 166.3 | 173.6 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | Q161 E165 V166 V167 E189 | Q161-T163 HydrophobicContact CB-CG2 4.45Å; Q161-T163 PolarHBondContact O-N 3.2Å; Q161-T163 VanDerWaalsContact O-N 3.16Å; T163-E165 PolarHBondContact O-N 3Å; T163-V166 PolarHBondContact O-N 3.14Å; T163-V167 PolarHBondContact O-N 3.31Å; T163-V167 VanDerWaalsContact O-N 3.14Å; T163-E189 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 164 | K | 92.4 | Very high | 90 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 30% | 0.296 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -51.7 | -41.1 | 175.1 | -69.9 | 176.6 | 178.9 | 171.9 | 0 | 113.2 | V167 C168 L184 L186 E189 | K164-V167 PolarHBondContact O-N 3.46Å; K164-C168 PolarHBondContact O-N 2.82Å; K164-C168 PolarHBondContact O-SG 3.07Å; K164-L184 HydrophobicContact CB-CD2 4Å; K164-L184 HydrophobicContact CG-CD2 3.75Å; K164-L186 HydrophobicContact CB-CD1 4.48Å; K164-L186 HydrophobicContact CG-CD1 3.82Å; K164-L186 HydrophobicContact CG-CG 4.19Å; K164-E189 WeakPolarHBondContact CE-OE2 3.42Å; K164-E189 WeakPolarHBondContact CG-OE2 3.33Å; K164-E189 PolarHBondContact N-OE1 3.12Å; K164-E189 IonicContact NZ-OE2 2.75Å |
| 165 | E | 92 | Very high | 90.1 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | -178.6 | -63.1 | -176.1 | 171.3 | 0 | 0 | 112.2 | T163 V167 C168 R169 | T163-E165 PolarHBondContact O-N 3Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.99Å; E165-C168 PolarHBondContact O-N 3.32Å; E165-R169 PolarHBondContact O-N 2.78Å |
| 166 | V | 92.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 70.4 Ų | 70.4 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | F160 L162 T163 R169 Q170 | F160-V166 HydrophobicContact CE2-CG1 4.2Å; F160-V166 HydrophobicContact CZ-CG1 4.02Å; L162-V166 HydrophobicContact CD1-CB 4.29Å; L162-V166 HydrophobicContact CD1-CG1 3.92Å; T163-V166 PolarHBondContact O-N 3.14Å; V166-R169 PolarHBondContact O-N 2.84Å; V166-Q170 HydrophobicContact CG1-CG 4.48Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.38Å; V166-Q170 PolarHBondContact O-N 2.7Å |
| 167 | V | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 111 | L150 I152 L162 T163 K164 E165 R169 Q170 F171 L184 L186 I213 | L150-V167 HydrophobicContact CD2-CG1 3.89Å; I152-V167 HydrophobicContact CD1-CG2 4.04Å; L162-V167 HydrophobicContact CD1-CG2 3.65Å; L162-V167 HydrophobicContact CD2-CG2 4.24Å; L162-V167 HydrophobicContact CG-CG2 3.82Å; T163-V167 PolarHBondContact O-N 3.31Å; T163-V167 VanDerWaalsContact O-N 3.14Å; K164-V167 PolarHBondContact O-N 3.46Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.99Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.93Å; V167-Q170 PolarHBondContact O-N 2.99Å; V167-Q170 VanDerWaalsContact O-N 3.11Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE2 3.62Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 3.23Å; V167-L184 HydrophobicContact CB-CD1 4.25Å; V167-L184 HydrophobicContact CG1-CD1 3.66Å; V167-L186 HydrophobicContact CG2-CD1 4.03Å; V167-L186 HydrophobicContact CG2-CD2 4.49Å; V167-I213 HydrophobicContact CG1-CD1 3.84Å; V167-I213 HydrophobicContact CG2-CD1 4.3Å |
| 168 | C | 94.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 8% | 0.081 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 177.6 | -66 | 0 | 0 | 0 | 0 | 111.8 | K164 E165 Q170 F171 E172 V179 | K164-C168 PolarHBondContact O-N 2.82Å; K164-C168 PolarHBondContact O-SG 3.07Å; E165-C168 PolarHBondContact O-N 3.32Å; C168-Q170 VanDerWaalsContact C-N 3.3Å; C168-Q170 PolarHBondContact O-N 2.81Å; C168-F171 WeakPolarHBondContact O-CB 3.19Å; C168-F171 PolarHBondContact O-N 2.97Å; C168-E172 PolarHBondContact O-N 3.43Å; C168-E172 VanDerWaalsContact O-N 3.15Å; C168-V179 WeakPolarHBondContact CB-O 3.48Å; C168-V179 PolarHBondContact SG-O 3.44Å |
| 169 | R | 94.3 | Very high | 91.9 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 177.2 | -163.5 | 179.8 | 81 | -169.8 | 6.2 | 112.4 | E165 V166 V167 E172 N173 | E165-R169 PolarHBondContact O-N 2.78Å; V166-R169 PolarHBondContact O-N 2.84Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.93Å; R169-E172 PolarHBondContact O-N 3.43Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 VanDerWaalsContact O-CG 3.22Å; R169-N173 PolarHBondContact O-N 3.29Å; R169-N173 PolarHBondContact O-ND2 3.06Å |
| 170 | Q | 93.8 | Very high | 92.4 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.7 | -34 | 177 | -66.2 | -62.8 | -25.7 | 0 | 0 | 112.4 | L150 I152 V166 V167 C168 E172 N173 K174 | L150-Q170 HydrophobicContact CD1-CB 4.28Å; L150-Q170 HydrophobicContact CD2-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CG 4.38Å; I152-Q170 HydrophobicContact CG1-CB 4.31Å; I152-Q170 HydrophobicContact CG1-CG 4.24Å; I152-Q170 HydrophobicContact CG2-CG 4.19Å; V166-Q170 HydrophobicContact CG1-CG 4.48Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.38Å; V166-Q170 PolarHBondContact O-N 2.7Å; V167-Q170 PolarHBondContact O-N 2.99Å; V167-Q170 VanDerWaalsContact O-N 3.11Å; C168-Q170 VanDerWaalsContact C-N 3.3Å; C168-Q170 PolarHBondContact O-N 2.81Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; Q170-N173 PolarHBondContact O-N 2.72Å; Q170-K174 VanDerWaalsContact O-CB 3.31Å; Q170-K174 WeakPolarHBondContact O-CB 3.38Å; Q170-K174 PolarHBondContact O-N 2.76Å |
| 171 | F | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 170.5 | -89.7 | -75.7 | 0 | 0 | 0 | 111.6 | L150 V167 C168 L175 G176 I177 V179 L184 I201 I211 | L150-F171 HydrophobicContact CB-CZ 4.35Å; L150-F171 HydrophobicContact CD2-CD2 3.8Å; L150-F171 HydrophobicContact CD2-CE2 3.54Å; L150-F171 HydrophobicContact CD2-CG 4.38Å; L150-F171 HydrophobicContact CD2-CZ 3.91Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE2 3.62Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 3.23Å; C168-F171 WeakPolarHBondContact O-CB 3.19Å; C168-F171 PolarHBondContact O-N 2.97Å; F171-L175 HydrophobicContact CD1-CD1 3.6Å; F171-L175 HydrophobicContact CE1-CD1 3.75Å; F171-L175 CarbonylContact O-C 3.5Å; F171-L175 WeakPolarHBondContact O-CA 3.5Å; F171-L175 WeakPolarHBondContact O-CB 3.19Å; F171-L175 PolarHBondContact O-N 3.31Å; F171-G176 PolarHBondContact O-N 3.11Å; F171-G176 VanDerWaalsContact O-N 3.13Å; F171-I177 CarbonylContact C-O 3.49Å; F171-I177 PolarHBondContact O-N 3.21Å; F171-V179 HydrophobicContact CB-CG2 4.13Å; F171-V179 HydrophobicContact CD1-CG2 4.46Å; F171-V179 HydrophobicContact CD2-CG2 4.43Å; F171-V179 HydrophobicContact CG-CG2 4.11Å; F171-L184 HydrophobicContact CD2-CD1 4.45Å; F171-L184 HydrophobicContact CE2-CD1 4.28Å; F171-I201 HydrophobicContact CD2-CD1 4.39Å; F171-I201 HydrophobicContact CE1-CD1 4.13Å; F171-I201 HydrophobicContact CE2-CD1 3.73Å; F171-I201 HydrophobicContact CZ-CD1 3.6Å; F171-I211 HydrophobicContact CE1-CD1 4Å; F171-I211 HydrophobicContact CZ-CD1 3.78Å; F171-I211 HydrophobicContact CZ-CG2 4.14Å |
| 172 | E | 94.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -50.7 | 177 | -173.7 | 173.7 | -162.8 | 0 | 0 | 111.1 | C168 R169 Q170 K174 G176 I177 V178 | C168-E172 PolarHBondContact O-N 3.43Å; C168-E172 VanDerWaalsContact O-N 3.15Å; R169-E172 PolarHBondContact O-N 3.43Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 3.06Å; E172-G176 WeakPolarHBondContact O-CA 3.34Å; E172-G176 PolarHBondContact O-N 2.87Å; E172-I177 WeakPolarHBondContact CA-O 3.42Å; E172-I177 PolarHBondContact N-O 3.02Å; E172-V178 HydrophobicContact CG-CG2 4.45Å |
| 173 | N | 93.8 | Very high | 93.1 | Very high | 108 Ų | 108 | 67.2 Ų | 67.2 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68 | -39.3 | -175.6 | -71.1 | -14.5 | 0 | 0 | 0 | 114.1 | R169 Q170 | R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 VanDerWaalsContact O-CG 3.22Å; R169-N173 PolarHBondContact O-N 3.29Å; R169-N173 PolarHBondContact O-ND2 3.06Å; Q170-N173 PolarHBondContact O-N 2.72Å |
| 174 | K | 92.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -94.8 | -34.1 | -173.4 | -63.5 | -165.7 | 175.3 | -163.8 | 0 | 113.6 | K151 Q170 E172 | K151-K174 VanDerWaalsContact O-CD 3.29Å; K151-K174 WeakPolarHBondContact O-CD 3.32Å; K151-K174 WeakPolarHBondContact O-CE 3.43Å; K151-K174 PolarHBondContact O-NZ 2.74Å; Q170-K174 VanDerWaalsContact O-CB 3.31Å; Q170-K174 WeakPolarHBondContact O-CB 3.38Å; Q170-K174 PolarHBondContact O-N 2.76Å; E172-K174 PolarHBondContact O-N 3.06Å |
| 175 | L | 91.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -114.7 | -11.1 | -173.2 | -60.3 | 171.4 | 0 | 0 | 0 | 112.4 | T148 L150 F171 I177 | T148-L175 HydrophobicContact CG2-CD1 4.25Å; L150-L175 HydrophobicContact CD1-CD1 4.24Å; F171-L175 HydrophobicContact CD1-CD1 3.6Å; F171-L175 HydrophobicContact CE1-CD1 3.75Å; F171-L175 CarbonylContact O-C 3.5Å; F171-L175 WeakPolarHBondContact O-CA 3.5Å; F171-L175 WeakPolarHBondContact O-CB 3.19Å; F171-L175 PolarHBondContact O-N 3.31Å; L175-I177 HydrophobicContact CB-CD1 4.04Å; L175-I177 HydrophobicContact CB-CG1 4.03Å; L175-I177 PolarHBondContact O-N 2.82Å |
| 176 | G | 92.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 64% | 0.639 | 31% | 0.31 | S | S | * | . | trans | 70.2 | 17 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F171 E172 | F171-G176 PolarHBondContact O-N 3.11Å; F171-G176 VanDerWaalsContact O-N 3.13Å; E172-G176 WeakPolarHBondContact O-CA 3.34Å; E172-G176 PolarHBondContact O-N 2.87Å | ||
| 177 | I | 92.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | trans | -102.3 | 118.6 | -176.6 | -56.2 | 174.5 | 0 | 0 | 0 | 108.7 | L144 L145 T148 F171 E172 L175 V179 | L144-I177 HydrophobicContact CD2-CD1 3.84Å; L144-I177 HydrophobicContact CD2-CG1 4.42Å; L144-I177 HydrophobicContact CG-CD1 4.33Å; L145-I177 HydrophobicContact CD2-CD1 4.07Å; T148-I177 HydrophobicContact CG2-CD1 4.47Å; F171-I177 CarbonylContact C-O 3.49Å; F171-I177 PolarHBondContact O-N 3.21Å; E172-I177 WeakPolarHBondContact CA-O 3.42Å; E172-I177 PolarHBondContact N-O 3.02Å; L175-I177 HydrophobicContact CB-CD1 4.04Å; L175-I177 HydrophobicContact CB-CG1 4.03Å; L175-I177 PolarHBondContact O-N 2.82Å; I177-V179 HydrophobicContact CG2-CG2 3.89Å; I177-V179 PolarHBondContact O-N 3.33Å | ||
| 178 | V | 92.9 | Very high | 91.9 | Very high | 112 Ų | 112 | 65 Ų | 65 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | trans | -83.4 | 108.9 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | E172 | E172-V178 HydrophobicContact CG-CG2 4.45Š| ||
| 179 | V | 93.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | trans | -109.4 | 121.6 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | C168 F171 I177 L184 I201 | C168-V179 WeakPolarHBondContact CB-O 3.48Å; C168-V179 PolarHBondContact SG-O 3.44Å; F171-V179 HydrophobicContact CB-CG2 4.13Å; F171-V179 HydrophobicContact CD1-CG2 4.46Å; F171-V179 HydrophobicContact CD2-CG2 4.43Å; F171-V179 HydrophobicContact CG-CG2 4.11Å; I177-V179 HydrophobicContact CG2-CG2 3.89Å; I177-V179 PolarHBondContact O-N 3.33Å; V179-L184 HydrophobicContact CG1-CB 4.24Å; V179-L184 HydrophobicContact CG1-CD1 4.2Å; V179-I201 HydrophobicContact CG1-CD1 4.19Å; V179-I201 HydrophobicContact CG1-CG2 4.17Å; V179-I201 HydrophobicContact CG2-CD1 4.14Å | ||
| 180 | P | 93.4 | Very high | 90.6 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | trans | -75.8 | 141.9 | 175.2 | 30.4 | -32.6 | 0 | 0 | 0 | 110.6 | R182 A183 | P180-R182 HydrophobicContact CB-CG 4.17Å; P180-R182 HydrophobicContact CG-CG 4.35Å; P180-R182 PolarHBondContact O-N 3.13Å; P180-A183 HydrophobicContact CG-CB 3.89Å; P180-A183 PolarHBondContact O-N 2.86Å | ||
| 181 | P | 92.4 | Very high | 90.2 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.1 | -176.5 | -27.6 | 34.3 | 0 | 0 | 0 | 114.5 | A183 L184 | P181-A183 PolarHBondContact O-N 3.39Å; P181-L184 PolarHBondContact O-N 3.21Å |
| 182 | R | 92.8 | Very high | 89.9 | Confident | 226 Ų | 226 | 69.6 Ų | 69.6 | 85% | 0.853 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -64.2 | -25 | 176.8 | 67.6 | -177.9 | 177.1 | 85.7 | -0 | 114.5 | P180 L184 | P180-R182 HydrophobicContact CB-CG 4.17Å; P180-R182 HydrophobicContact CG-CG 4.35Å; P180-R182 PolarHBondContact O-N 3.13Å; R182-L184 VanDerWaalsContact C-N 3.35Å |
| 183 | A | 92.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 13% | 0.132 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -90.4 | -8.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P180 P181 I201 T202 | P180-A183 HydrophobicContact CG-CB 3.89Å; P180-A183 PolarHBondContact O-N 2.86Å; P181-A183 PolarHBondContact O-N 3.39Å; A183-I201 WeakPolarHBondContact O-CA 3.31Å; A183-T202 PolarHBondContact O-N 2.95Å |
| 184 | L | 94.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.7 | -172.9 | -169.7 | 144.1 | 0 | 0 | 0 | 110.1 | K164 V167 F171 V179 P181 R182 L186 C199 I201 | K164-L184 HydrophobicContact CB-CD2 4Å; K164-L184 HydrophobicContact CG-CD2 3.75Å; V167-L184 HydrophobicContact CB-CD1 4.25Å; V167-L184 HydrophobicContact CG1-CD1 3.66Å; F171-L184 HydrophobicContact CD2-CD1 4.45Å; F171-L184 HydrophobicContact CE2-CD1 4.28Å; V179-L184 HydrophobicContact CG1-CB 4.24Å; V179-L184 HydrophobicContact CG1-CD1 4.2Å; P181-L184 PolarHBondContact O-N 3.21Å; R182-L184 VanDerWaalsContact C-N 3.35Å; L184-L186 HydrophobicContact CD2-CD1 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CG 3.63Å; L184-C199 VanDerWaalsContact CD2-SG 3.58Å; L184-C199 WeakPolarHBondContact CG-SG 3.37Å; L184-I201 HydrophobicContact CD1-CD1 4.36Å; L184-I201 HydrophobicContact CD1-CG1 4.39Å |
| 185 | S | 93 | Very high | 89.3 | Confident | 58 Ų | 58 | 68 Ų | 68 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.3 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | D200 | S185-D200 PolarHBondContact N-O 3.36Å; S185-D200 PolarHBondContact O-N 3.08Å |
| 186 | L | 91 | Very high | 89.4 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | trans | -102.6 | 118.8 | 169.2 | -69 | 172.5 | 0 | 0 | 0 | 107.5 | K164 V167 L184 F188 C199 I213 | K164-L186 HydrophobicContact CB-CD1 4.48Å; K164-L186 HydrophobicContact CG-CD1 3.82Å; K164-L186 HydrophobicContact CG-CG 4.19Å; V167-L186 HydrophobicContact CG2-CD1 4.03Å; V167-L186 HydrophobicContact CG2-CD2 4.49Å; L184-L186 HydrophobicContact CD2-CD1 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CG 3.63Å; L186-F188 PolarHBondContact O-N 3Å; L186-C199 HydrophobicContact CD2-CB 3.62Å; L186-I213 HydrophobicContact CD2-CD1 4.29Å | ||
| 187 | P | 83.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -69.8 | -25.1 | 178.4 | 23.7 | -29.1 | 0 | 0 | 0 | 112.4 | W198 | P187-W198 HydrophobicContact CG-CZ2 4.48Š|
| 188 | F | 77.1 | Confident | 89.6 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -119.7 | 107.7 | 178.1 | -44.2 | -75.8 | 0 | 0 | 0 | 107.9 | L186 I191 Y197 W198 | L186-F188 PolarHBondContact O-N 3Å; F188-I191 HydrophobicContact CB-CD1 4.26Å; F188-I191 HydrophobicContact CB-CG1 4.06Å; F188-I191 VanDerWaalsContact O-CD1 3.29Å; F188-I191 WeakPolarHBondContact O-CD1 3.37Å; F188-I191 VanDerWaalsContact O-CG1 3.24Å; F188-I191 WeakPolarHBondContact O-CG1 3.46Å; F188-Y197 HydrophobicContact CD2-CD1 4.43Å; F188-W198 HydrophobicContact CE2-CD2 4.4Å; F188-W198 AromaticContact CE2-CE2 3.89Å; F188-W198 HydrophobicContact CE2-CE3 4.44Å; F188-W198 AromaticContact CE2-CH2 3.51Å; F188-W198 HydrophobicContact CE2-CH2 3.51Å; F188-W198 AromaticContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ2 3.44Å; F188-W198 VanDerWaalsContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ3 4.02Å; F188-W198 AromaticContact CZ-CH2 3.69Å; F188-W198 HydrophobicContact CZ-CH2 3.69Å; F188-W198 AromaticContact CZ-CZ2 3.68Å; F188-W198 HydrophobicContact CZ-CZ2 3.68Å |
| 189 | E | 79.2 | Confident | 89.6 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | trans | -138.7 | 131.2 | 175.3 | -173.7 | 166.3 | -152.6 | 0 | 0 | 108.4 | T163 K164 | T163-E189 WeakPolarHBondContact CA-OE1 3.35Å; K164-E189 WeakPolarHBondContact CE-OE2 3.42Å; K164-E189 WeakPolarHBondContact CG-OE2 3.33Å; K164-E189 PolarHBondContact N-OE1 3.12Å; K164-E189 IonicContact NZ-OE2 2.75Å | ||
| 190 | P | 81.9 | Confident | 89.7 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -88.4 | 139 | -3.2 | 33.1 | -32.1 | 0 | 0 | 0 | 114.1 | Q161 | Q161-P190 HydrophobicContact CB-CB 4.15Å; Q161-P190 HydrophobicContact CG-CB 4.35Å |
| 191 | I | 85.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 124.3 | 175.8 | -59.8 | 158.4 | 0 | 0 | 0 | 110.1 | L162 F188 Y197 L215 | L162-I191 HydrophobicContact CB-CB 4.13Å; L162-I191 HydrophobicContact CD2-CD1 4.24Å; L162-I191 PolarHBondContact N-O 2.82Å; F188-I191 HydrophobicContact CB-CD1 4.26Å; F188-I191 HydrophobicContact CB-CG1 4.06Å; F188-I191 VanDerWaalsContact O-CD1 3.29Å; F188-I191 WeakPolarHBondContact O-CD1 3.37Å; F188-I191 VanDerWaalsContact O-CG1 3.24Å; F188-I191 WeakPolarHBondContact O-CG1 3.46Å; I191-Y197 HydrophobicContact CD1-CD1 3.72Å; I191-Y197 HydrophobicContact CD1-CD2 4.18Å; I191-Y197 HydrophobicContact CD1-CE1 4.12Å; I191-Y197 HydrophobicContact CD1-CG 3.76Å; I191-Y197 HydrophobicContact CG1-CD1 4.29Å; I191-Y197 HydrophobicContact CG1-CE1 4.2Å; I191-Y197 HydrophobicContact CG2-CD1 4.46Å; I191-Y197 HydrophobicContact CG2-CD2 4.06Å; I191-Y197 HydrophobicContact CG2-CE1 3.88Å; I191-Y197 HydrophobicContact CG2-CE2 3.41Å; I191-Y197 VanDerWaalsContact CG2-CE2 3.41Å; I191-Y197 WeakPolarHBondContact CG2-OH 3.35Å; I191-L215 HydrophobicContact CG2-CD2 4.38Å |
| 192 | K | 86.6 | Confident | 89.8 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | trans | -111.6 | -27.2 | 177.5 | -69.2 | -178.4 | 175.8 | -175.9 | 0 | 113.8 | K154 Q161 | K154-K192 PolarHBondContact NZ-O 3.06Å; Q161-K192 HydrophobicContact CG-CG 4.11Å | ||
| 193 | E | 87.5 | Confident | 89.8 | Confident | 150 Ų | 150 | 57 Ų | 57 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -84.8 | 148.2 | -174.5 | -64.1 | -179.8 | -179.1 | 0 | 0 | 111.2 | Y197 L215 | E193-Y197 PolarHBondContact O-OH 2.92Å; E193-L215 WeakPolarHBondContact O-CD2 3.38Å |
| 194 | L | 90.4 | Very high | 89.5 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | trans | -75.1 | 138.6 | 175.1 | -57.6 | 176.6 | 0 | 0 | 0 | 108.9 | K154 L215 P217 | K154-L194 HydrophobicContact CB-CD2 4.09Å; K154-L194 HydrophobicContact CD-CD2 3.88Å; L194-L215 HydrophobicContact CD2-CD2 4.4Å; L194-L215 HydrophobicContact CD2-CG 4.03Å; L194-P217 HydrophobicContact CD1-CB 3.93Å; L194-P217 HydrophobicContact CD1-CG 4.43Å | ||
| 195 | G | 91.7 | Very high | 89 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -177.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L215 | G195-L215 PolarHBondContact N-O 2.79Å; G195-L215 PolarHBondContact O-N 3.31Å |
| 196 | E | 92.6 | Very high | 88.6 | Confident | 165 Ų | 165 | 63.8 Ų | 63.8 | 77% | 0.771 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.3 | 173.5 | -64.2 | -173.7 | 177.4 | 0 | 0 | 109.9 | ||
| 197 | Y | 93.8 | Very high | 88.6 | Confident | 45 Ų | 45 | 66 Ų | 66 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 175.6 | -178.6 | -60.2 | -79.3 | 0 | 0 | 0 | 109.2 | F188 I191 E193 I213 L215 | F188-Y197 HydrophobicContact CD2-CD1 4.43Å; I191-Y197 HydrophobicContact CD1-CD1 3.72Å; I191-Y197 HydrophobicContact CD1-CD2 4.18Å; I191-Y197 HydrophobicContact CD1-CE1 4.12Å; I191-Y197 HydrophobicContact CD1-CG 3.76Å; I191-Y197 HydrophobicContact CG1-CD1 4.29Å; I191-Y197 HydrophobicContact CG1-CE1 4.2Å; I191-Y197 HydrophobicContact CG2-CD1 4.46Å; I191-Y197 HydrophobicContact CG2-CD2 4.06Å; I191-Y197 HydrophobicContact CG2-CE1 3.88Å; I191-Y197 HydrophobicContact CG2-CE2 3.41Å; I191-Y197 VanDerWaalsContact CG2-CE2 3.41Å; I191-Y197 WeakPolarHBondContact CG2-OH 3.35Å; E193-Y197 PolarHBondContact O-OH 2.92Å; Y197-I213 PolarHBondContact N-O 3.06Å; Y197-I213 PolarHBondContact O-N 2.86Å; Y197-I213 VanDerWaalsContact O-O 3.13Å; Y197-L215 HydrophobicContact CE2-CB 4.48Å |
| 198 | W | 94.1 | Very high | 89.1 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 155.6 | 170.2 | 62.8 | 92.5 | 0 | 0 | 0 | 110.3 | P187 F188 R210 I211 | P187-W198 HydrophobicContact CG-CZ2 4.48Å; F188-W198 HydrophobicContact CE2-CD2 4.4Å; F188-W198 AromaticContact CE2-CE2 3.89Å; F188-W198 HydrophobicContact CE2-CE3 4.44Å; F188-W198 AromaticContact CE2-CH2 3.51Å; F188-W198 HydrophobicContact CE2-CH2 3.51Å; F188-W198 AromaticContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ2 3.44Å; F188-W198 VanDerWaalsContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ3 4.02Å; F188-W198 AromaticContact CZ-CH2 3.69Å; F188-W198 HydrophobicContact CZ-CH2 3.69Å; F188-W198 AromaticContact CZ-CZ2 3.68Å; F188-W198 HydrophobicContact CZ-CZ2 3.68Å; W198-R210 HydrophobicContact CB-CG 3.88Å; W198-R210 VanDerWaalsContact CE3-NH2 3.27Å; W198-R210 HydrophobicContact CG-CG 4.1Å; W198-I211 CarbonylContact C-O 3.51Å; W198-I211 VanDerWaalsContact CA-O 3.27Å; W198-I211 WeakPolarHBondContact CA-O 3.32Å |
| 199 | C | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.3 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | L184 L186 I211 I213 | L184-C199 VanDerWaalsContact CD2-SG 3.58Å; L184-C199 WeakPolarHBondContact CG-SG 3.37Å; L186-C199 HydrophobicContact CD2-CB 3.62Å; C199-I211 PolarHBondContact N-O 3.39Å; C199-I211 PolarHBondContact O-N 3.36Å; C199-I213 HydrophobicContact CB-CD1 3.37Å; C199-I213 HydrophobicContact CB-CG1 4.05Å |
| 200 | D | 95.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.6 | 177.9 | -62.8 | -27.2 | 0 | 0 | 0 | 108.4 | S185 T208 V209 R210 | S185-D200 PolarHBondContact N-O 3.36Å; S185-D200 PolarHBondContact O-N 3.08Å; D200-T208 HydrophobicContact CB-CG2 3.75Å; D200-V209 WeakPolarHBondContact CA-O 3.23Å; D200-R210 WeakPolarHBondContact OD1-CB 3.21Å; D200-R210 WeakPolarHBondContact OD1-CG 3.09Å |
| 201 | I | 95.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.2 | 177 | -59.3 | -172 | 0 | 0 | 0 | 108.7 | L145 F171 V179 A183 L184 T208 V209 I211 | L145-I201 HydrophobicContact CD1-CB 4.49Å; L145-I201 HydrophobicContact CD1-CG2 4.12Å; F171-I201 HydrophobicContact CD2-CD1 4.39Å; F171-I201 HydrophobicContact CE1-CD1 4.13Å; F171-I201 HydrophobicContact CE2-CD1 3.73Å; F171-I201 HydrophobicContact CZ-CD1 3.6Å; V179-I201 HydrophobicContact CG1-CD1 4.19Å; V179-I201 HydrophobicContact CG1-CG2 4.17Å; V179-I201 HydrophobicContact CG2-CD1 4.14Å; A183-I201 WeakPolarHBondContact O-CA 3.31Å; L184-I201 HydrophobicContact CD1-CD1 4.36Å; L184-I201 HydrophobicContact CD1-CG1 4.39Å; I201-T208 WeakPolarHBondContact O-CA 3.31Å; I201-V209 PolarHBondContact N-O 3.32Å; I201-V209 PolarHBondContact O-N 3.13Å; I201-I211 HydrophobicContact CB-CD1 4.43Å; I201-I211 HydrophobicContact CD1-CD1 3.47Å; I201-I211 VanDerWaalsContact CD1-CD1 3.47Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å |
| 202 | T | 93.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.5 | 177.2 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | A183 D207 T208 | A183-T202 PolarHBondContact O-N 2.95Å; T202-D207 CarbonylContact C-O 3.34Å; T202-D207 WeakPolarHBondContact CA-O 3.28Å; T202-T208 PolarHBondContact OG1-OG1 2.93Å; T202-T208 VanDerWaalsContact OG1-OG1 3.08Å |
| 203 | V | 92.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.7 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 109 | T141 V142 L145 G205 M206 D207 | T141-V203 HydrophobicContact CG2-CG2 4.34Å; V142-V203 HydrophobicContact CG2-CB 3.9Å; V142-V203 HydrophobicContact CG2-CG1 4.26Å; V142-V203 HydrophobicContact CG2-CG2 3.72Å; L145-V203 HydrophobicContact CD1-CG2 3.7Å; V203-G205 PolarHBondContact O-N 2.86Å; V203-M206 PolarHBondContact O-N 3.44Å; V203-D207 PolarHBondContact N-O 3.09Å; V203-D207 PolarHBondContact O-N 3.01Å |
| 204 | N | 87.6 | Confident | 92.4 | Very high | 104 Ų | 104 | 53.8 Ų | 53.8 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 15.3 | 178.8 | -61.1 | -22.4 | 0 | 0 | 0 | 115.9 | M206 | N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 HydrophobicContact CB-CG 4.47Å |
| 205 | G | 84.3 | Confident | 92.6 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 15.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V203 | V203-G205 PolarHBondContact O-N 2.86Š|
| 206 | M | 84.5 | Confident | 92.6 | Very high | 57 Ų | 57 | 52 Ų | 52 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -68.8 | -174.7 | -46 | -166.9 | 71.4 | 0 | 0 | 110.6 | P129 R132 V203 N204 | P129-M206 WeakPolarHBondContact O-CE 3.24Å; R132-M206 HydrophobicContact CB-CE 3.91Å; R132-M206 HydrophobicContact CB-SD 3.93Å; R132-M206 WeakPolarHBondContact O-CE 3.46Å; V203-M206 PolarHBondContact O-N 3.44Å; N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 HydrophobicContact CB-CG 4.47Å |
| 207 | D | 89.9 | Confident | 92.5 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.4 | -177.3 | -76.8 | -10.6 | 0 | 0 | 0 | 110.5 | Q134 V142 T202 V203 | Q134-D207 PolarHBondContact NE2-OD2 3.34Å; Q134-D207 PolarHBondContact OE1-OD2 3.18Å; V142-D207 HydrophobicContact CG2-CB 3.73Å; T202-D207 CarbonylContact C-O 3.34Å; T202-D207 WeakPolarHBondContact CA-O 3.28Å; V203-D207 PolarHBondContact N-O 3.09Å; V203-D207 PolarHBondContact O-N 3.01Å |
| 208 | T | 93.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.9 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 110 | D200 I201 T202 | D200-T208 HydrophobicContact CB-CG2 3.75Å; I201-T208 WeakPolarHBondContact O-CA 3.31Å; T202-T208 PolarHBondContact OG1-OG1 2.93Å; T202-T208 VanDerWaalsContact OG1-OG1 3.08Å |
| 209 | V | 95.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.9 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | V142 L145 K146 D200 I201 I211 | V142-V209 HydrophobicContact CB-CG2 4.24Å; V142-V209 HydrophobicContact CG1-CG2 3.77Å; V142-V209 HydrophobicContact CG2-CG2 4.01Å; L145-V209 HydrophobicContact CB-CB 4.33Å; L145-V209 HydrophobicContact CB-CG1 3.93Å; K146-V209 HydrophobicContact CG-CG1 3.83Å; D200-V209 WeakPolarHBondContact CA-O 3.23Å; I201-V209 PolarHBondContact N-O 3.32Å; I201-V209 PolarHBondContact O-N 3.13Å; V209-I211 HydrophobicContact CG1-CG1 4.21Å |
| 210 | R | 95.2 | Very high | 91.4 | Very high | 154 Ų | 154 | 56.1 Ų | 56.1 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.1 | 174.9 | -173.2 | 169.2 | 179.3 | -168 | 0.3 | 110.3 | W198 D200 | W198-R210 HydrophobicContact CB-CG 3.88Å; W198-R210 VanDerWaalsContact CE3-NH2 3.27Å; W198-R210 HydrophobicContact CG-CG 4.1Å; D200-R210 WeakPolarHBondContact OD1-CB 3.21Å; D200-R210 WeakPolarHBondContact OD1-CG 3.09Å |
| 211 | I | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.6 | -176.8 | -58.6 | 173 | 0 | 0 | 0 | 109.3 | L145 F171 W198 C199 I201 V209 | L145-I211 HydrophobicContact CB-CD1 4.06Å; L145-I211 HydrophobicContact CD2-CD1 3.8Å; L145-I211 HydrophobicContact CG-CD1 4.37Å; F171-I211 HydrophobicContact CE1-CD1 4Å; F171-I211 HydrophobicContact CZ-CD1 3.78Å; F171-I211 HydrophobicContact CZ-CG2 4.14Å; W198-I211 CarbonylContact C-O 3.51Å; W198-I211 VanDerWaalsContact CA-O 3.27Å; W198-I211 WeakPolarHBondContact CA-O 3.32Å; C199-I211 PolarHBondContact N-O 3.39Å; C199-I211 PolarHBondContact O-N 3.36Å; I201-I211 HydrophobicContact CB-CD1 4.43Å; I201-I211 HydrophobicContact CD1-CD1 3.47Å; I201-I211 VanDerWaalsContact CD1-CD1 3.47Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å; V209-I211 HydrophobicContact CG1-CG1 4.21Å |
| 212 | P | 95 | Very high | 90.4 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.8 | 175.4 | 30.8 | -34.4 | 0 | 0 | 0 | 111 | K149 L150 | K149-P212 HydrophobicContact CB-CG 4.17Å; K149-P212 HydrophobicContact CD-CG 4.42Å; K149-P212 HydrophobicContact CG-CG 3.81Å; L150-P212 PolarHBondContact N-O 3.42Å |
| 213 | I | 94.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | 176 | -59.1 | -173.1 | 0 | 0 | 0 | 108.7 | L150 I152 L162 V167 L186 Y197 C199 | L150-I213 HydrophobicContact CB-CG1 4.27Å; L150-I213 HydrophobicContact CD2-CD1 4.26Å; L150-I213 HydrophobicContact CD2-CG1 4.34Å; L150-I213 CarbonylContact O-C 3.52Å; L150-I213 VanDerWaalsContact O-CA 3.26Å; L150-I213 WeakPolarHBondContact O-CA 3.5Å; I152-I213 HydrophobicContact CD1-CG2 3.73Å; I152-I213 HydrophobicContact CG1-CG2 4.1Å; L162-I213 HydrophobicContact CD2-CG2 4.43Å; V167-I213 HydrophobicContact CG1-CD1 3.84Å; V167-I213 HydrophobicContact CG2-CD1 4.3Å; L186-I213 HydrophobicContact CD2-CD1 4.29Å; Y197-I213 PolarHBondContact N-O 3.06Å; Y197-I213 PolarHBondContact O-N 2.86Å; Y197-I213 VanDerWaalsContact O-O 3.13Å; C199-I213 HydrophobicContact CB-CD1 3.37Å; C199-I213 HydrophobicContact CB-CG1 4.05Å |
| 214 | S | 94.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.9 | 171.3 | -52.8 | 0 | 0 | 0 | 0 | 109.5 | L150 I152 | L150-S214 PolarHBondContact O-N 3.02Å; I152-S214 PolarHBondContact N-O 3.06Å |
| 215 | L | 93.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.2 | 172.8 | -171.7 | 62.1 | 0 | 0 | 0 | 109.6 | I152 K154 F160 I191 E193 L194 G195 Y197 | I152-L215 HydrophobicContact CB-CD1 3.96Å; I152-L215 HydrophobicContact CG2-CD1 3.78Å; I152-L215 WeakPolarHBondContact O-CA 3.5Å; K154-L215 HydrophobicContact CB-CD1 4.24Å; F160-L215 HydrophobicContact CE1-CD1 4.19Å; I191-L215 HydrophobicContact CG2-CD2 4.38Å; E193-L215 WeakPolarHBondContact O-CD2 3.38Å; L194-L215 HydrophobicContact CD2-CD2 4.4Å; L194-L215 HydrophobicContact CD2-CG 4.03Å; G195-L215 PolarHBondContact N-O 2.79Å; G195-L215 PolarHBondContact O-N 3.31Å; Y197-L215 HydrophobicContact CE2-CB 4.48Å |
| 216 | L | 92.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 71 Ų | 71 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 151.5 | -175.6 | -60.8 | 177.3 | 0 | 0 | 0 | 111 | K151 I152 K154 | K151-L216 HydrophobicContact CB-CD1 4.31Å; K151-L216 HydrophobicContact CD-CD1 4.37Å; I152-L216 PolarHBondContact O-N 3.38Å; K154-L216 WeakPolarHBondContact CB-O 3.44Å; K154-L216 PolarHBondContact N-O 3.01Å |
| 217 | P | 91.2 | Very high | 90.5 | Very high | 67 Ų | 67 | 76 Ų | 76 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 158 | 172.4 | 28.7 | -34.6 | 0 | 0 | 0 | 111.3 | L194 E219 | L194-P217 HydrophobicContact CD1-CB 3.93Å; L194-P217 HydrophobicContact CD1-CG 4.43Å; P217-E219 PolarHBondContact O-N 2.79Å |
| 218 | Y | 89.6 | Confident | 90.6 | Very high | 113 Ų | 113 | 78.5 Ų | 78.5 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.2 | 171.1 | -175.9 | -99 | 0 | 0 | 0 | 110.5 | I153 K154 L156 D220 | I153-Y218 HydrophobicContact CG2-CD2 4.2Å; K154-Y218 VanDerWaalsContact O-CB 3.29Å; K154-Y218 WeakPolarHBondContact O-CB 3.42Å; L156-Y218 HydrophobicContact CD1-CD1 3.72Å; L156-Y218 HydrophobicContact CD1-CE1 3.58Å; L156-Y218 HydrophobicContact CD1-CG 4.33Å; L156-Y218 HydrophobicContact CD2-CD1 3.42Å; L156-Y218 VanDerWaalsContact CD2-CD1 3.42Å; L156-Y218 HydrophobicContact CD2-CE1 4.17Å; L156-Y218 HydrophobicContact CD2-CG 3.77Å; L156-Y218 HydrophobicContact CG-CD1 3.45Å; L156-Y218 VanDerWaalsContact CG-CD1 3.45Å; L156-Y218 HydrophobicContact CG-CD2 4.24Å; L156-Y218 HydrophobicContact CG-CE1 3.84Å; L156-Y218 HydrophobicContact CG-CG 3.64Å; Y218-D220 HydrophobicContact CE1-CB 4.11Å |
| 219 | E | 83.4 | Confident | 90.6 | Very high | 133 Ų | 133 | 78.1 Ų | 78.1 | 62% | 0.621 | 39% | 0.389 | S | S | * | . | trans | -110.9 | 123.4 | 169.2 | -71.7 | -176.4 | 174.2 | 0 | 0 | 109.7 | P217 Q221 | P217-E219 PolarHBondContact O-N 2.79Å; E219-Q221 PolarHBondContact O-N 2.97Å; E219-Q221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | D | 85.3 | Confident | 90.6 | Very high | 70 Ų | 70 | 85.6 Ų | 85.6 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | trans | -74.1 | 102.2 | 169.8 | 178.8 | 1.6 | 0 | 0 | 0 | 109.3 | Y218 S222 A223 V224 | Y218-D220 HydrophobicContact CE1-CB 4.11Å; D220-S222 VanDerWaalsContact CG-OG 3.29Å; D220-S222 PolarHBondContact O-N 2.92Å; D220-S222 VanDerWaalsContact O-N 3.16Å; D220-S222 WeakPolarHBondContact OD1-CB 3.32Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 PolarHBondContact OD1-OG 2.97Å; D220-S222 PolarHBondContact OD2-OG 2.82Å; D220-A223 HydrophobicContact CB-CB 4Å; D220-A223 PolarHBondContact O-N 2.95Å; D220-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact OD1-N 3.37Å; D220-V224 WeakPolarHBondContact O-CG2 3.49Å; D220-V224 PolarHBondContact O-N 2.95Å | ||
| 221 | Q | 83.6 | Confident | 90.5 | Very high | 159 Ų | 159 | 81.9 Ų | 81.9 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -56 | -32 | 179.5 | -64 | -174.4 | -1.9 | 0 | 0 | 112.4 | E219 H225 | E219-Q221 PolarHBondContact O-N 2.97Å; E219-Q221 VanDerWaalsContact O-N 3.14Å; Q221-H225 VanDerWaalsContact O-CB 3.29Å; Q221-H225 WeakPolarHBondContact O-CB 3.35Å; Q221-H225 PolarHBondContact O-N 2.83Å |
| 222 | S | 85.3 | Confident | 90.5 | Very high | 59 Ų | 59 | 87.6 Ų | 87.6 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | -179.6 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | D220 K226 | D220-S222 VanDerWaalsContact CG-OG 3.29Å; D220-S222 PolarHBondContact O-N 2.92Å; D220-S222 VanDerWaalsContact O-N 3.16Å; D220-S222 WeakPolarHBondContact OD1-CB 3.32Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 PolarHBondContact OD1-OG 2.97Å; D220-S222 PolarHBondContact OD2-OG 2.82Å; S222-K226 WeakPolarHBondContact O-CB 3.14Å; S222-K226 VanDerWaalsContact O-CG 3.27Å; S222-K226 WeakPolarHBondContact O-CG 3.4Å; S222-K226 PolarHBondContact O-N 2.69Å |
| 223 | A | 86.3 | Confident | 90.5 | Very high | 50 Ų | 50 | 94.2 Ų | 94.2 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D220 K226 K227 | D220-A223 HydrophobicContact CB-CB 4Å; D220-A223 PolarHBondContact O-N 2.95Å; D220-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact OD1-N 3.37Å; A223-K226 PolarHBondContact O-N 2.68Å; A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 2.72Å |
| 224 | V | 87 | Confident | 90.5 | Very high | 57 Ų | 57 | 102 Ų | 102 | 35% | 0.345 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | D220 K226 K227 Q228 | D220-V224 WeakPolarHBondContact O-CG2 3.49Å; D220-V224 PolarHBondContact O-N 2.95Å; V224-K226 PolarHBondContact O-N 2.79Å; V224-K227 WeakPolarHBondContact O-CB 3.26Å; V224-K227 PolarHBondContact O-N 2.76Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CG 3.23Å; V224-Q228 PolarHBondContact O-N 3.48Å |
| 225 | H | 88.9 | Confident | 90.5 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 179.1 | -178.3 | -148.2 | 0 | 0 | 0 | 112.3 | Q221 K227 Q228 L229 | Q221-H225 VanDerWaalsContact O-CB 3.29Å; Q221-H225 WeakPolarHBondContact O-CB 3.35Å; Q221-H225 PolarHBondContact O-N 2.83Å; H225-K227 VanDerWaalsContact C-N 3.3Å; H225-K227 PolarHBondContact O-N 2.77Å; H225-Q228 PolarHBondContact O-N 2.94Å; H225-L229 WeakPolarHBondContact O-CG 3.18Å; H225-L229 PolarHBondContact O-N 2.83Å |
| 226 | K | 91.5 | Very high | 90.6 | Very high | 147 Ų | 147 | 109.4 Ų | 109.4 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 174 | -75.2 | 171.3 | -176.5 | 173.7 | 0 | 112.1 | S222 A223 V224 K230 | S222-K226 WeakPolarHBondContact O-CB 3.14Å; S222-K226 VanDerWaalsContact O-CG 3.27Å; S222-K226 WeakPolarHBondContact O-CG 3.4Å; S222-K226 PolarHBondContact O-N 2.69Å; A223-K226 PolarHBondContact O-N 2.68Å; V224-K226 PolarHBondContact O-N 2.79Å; K226-K230 WeakPolarHBondContact O-CB 2.84Å; K226-K230 PolarHBondContact O-N 3.47Å |
| 227 | K | 90.4 | Very high | 90.6 | Very high | 161 Ų | 161 | 107.9 Ų | 107.9 | 70% | 0.7 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 177.2 | -165.8 | 177.1 | -179.3 | -178.1 | 0 | 110.8 | A223 V224 H225 K230 T231 | A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 2.72Å; V224-K227 WeakPolarHBondContact O-CB 3.26Å; V224-K227 PolarHBondContact O-N 2.76Å; H225-K227 VanDerWaalsContact C-N 3.3Å; H225-K227 PolarHBondContact O-N 2.77Å; K227-K230 PolarHBondContact O-N 2.89Å; K227-T231 PolarHBondContact O-N 2.75Å; K227-T231 PolarHBondContact O-OG1 2.94Å |
| 228 | Q | 91.9 | Very high | 90.6 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 176.4 | -73.5 | 174.5 | -5.7 | 0 | 0 | 112.1 | V224 H225 K230 T231 Q232 | V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CG 3.23Å; V224-Q228 PolarHBondContact O-N 3.48Å; H225-Q228 PolarHBondContact O-N 2.94Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 2.65Å; Q228-T231 VanDerWaalsContact CA-OG1 3.29Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.49Å; Q228-T231 PolarHBondContact O-N 3.24Å; Q228-T231 PolarHBondContact O-OG1 3.33Å; Q228-Q232 WeakPolarHBondContact O-CB 3.49Å; Q228-Q232 PolarHBondContact O-N 3.02Å |
| 229 | L | 93.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 107.1 Ų | 107.1 | 40% | 0.398 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.9 | -71.9 | 172.2 | 0 | 0 | 0 | 112.1 | H225 Q232 R233 | H225-L229 WeakPolarHBondContact O-CG 3.18Å; H225-L229 PolarHBondContact O-N 2.83Å; L229-Q232 PolarHBondContact O-N 3.27Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.28Å |
| 230 | K | 94.3 | Very high | 90.7 | Very high | 165 Ų | 165 | 108.4 Ų | 108.4 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 177.1 | -170.4 | 177.2 | -178.2 | 178.5 | 0 | 111.7 | K226 K227 Q228 K234 | K226-K230 WeakPolarHBondContact O-CB 2.84Å; K226-K230 PolarHBondContact O-N 3.47Å; K227-K230 PolarHBondContact O-N 2.89Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 2.65Å; K230-K234 WeakPolarHBondContact O-CB 3.48Å; K230-K234 PolarHBondContact O-N 3.07Å |
| 231 | T | 94.9 | Very high | 90.8 | Very high | 77 Ų | 77 | 109.9 Ų | 109.9 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.4 | 29.5 | 0 | 0 | 0 | 0 | 112 | K227 Q228 R233 K234 L235 | K227-T231 PolarHBondContact O-N 2.75Å; K227-T231 PolarHBondContact O-OG1 2.94Å; Q228-T231 VanDerWaalsContact CA-OG1 3.29Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.49Å; Q228-T231 PolarHBondContact O-N 3.24Å; Q228-T231 PolarHBondContact O-OG1 3.33Å; T231-R233 PolarHBondContact O-N 3.43Å; T231-K234 PolarHBondContact O-N 3.46Å; T231-K234 VanDerWaalsContact O-N 3.15Å; T231-L235 WeakPolarHBondContact O-CG 2.92Å; T231-L235 PolarHBondContact O-N 3.12Å |
| 232 | Q | 94.9 | Very high | 90.7 | Very high | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 179.5 | -157.7 | 175.8 | 32.6 | 0 | 0 | 111.5 | Q228 L229 K234 L235 L236 | Q228-Q232 WeakPolarHBondContact O-CB 3.49Å; Q228-Q232 PolarHBondContact O-N 3.02Å; L229-Q232 PolarHBondContact O-N 3.27Å; Q232-K234 VanDerWaalsContact C-N 3.32Å; Q232-K234 PolarHBondContact O-N 2.88Å; Q232-L235 PolarHBondContact O-N 2.91Å; Q232-L236 WeakPolarHBondContact O-CB 3.26Å; Q232-L236 WeakPolarHBondContact O-CG 3.15Å; Q232-L236 PolarHBondContact O-N 3.47Å |
| 233 | R | 93.6 | Very high | 90.5 | Very high | 198 Ų | 198 | 108.1 Ų | 108.1 | 75% | 0.747 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 171.9 | -81.5 | 178.7 | 153.3 | 168.1 | -5.9 | 113 | L229 T231 A237 | L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.28Å; T231-R233 PolarHBondContact O-N 3.43Å; R233-A237 WeakPolarHBondContact O-CB 3.15Å; R233-A237 PolarHBondContact O-N 2.87Å |
| 234 | K | 94.1 | Very high | 90.2 | Very high | 163 Ų | 163 | 107.9 Ų | 107.9 | 71% | 0.709 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 179.9 | -159.1 | 178 | -177.1 | -171.7 | 0 | 111.8 | K230 T231 Q232 A237 A238 | K230-K234 WeakPolarHBondContact O-CB 3.48Å; K230-K234 PolarHBondContact O-N 3.07Å; T231-K234 PolarHBondContact O-N 3.46Å; T231-K234 VanDerWaalsContact O-N 3.15Å; Q232-K234 VanDerWaalsContact C-N 3.32Å; Q232-K234 PolarHBondContact O-N 2.88Å; K234-A237 PolarHBondContact O-N 3.24Å; K234-A238 PolarHBondContact O-N 2.83Å |
| 235 | L | 95.1 | Very high | 89.8 | Confident | 111 Ų | 111 | 109.5 Ų | 109.5 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 172.9 | -71.5 | 169.1 | 0 | 0 | 0 | 111.2 | T231 Q232 A237 A238 E239 | T231-L235 WeakPolarHBondContact O-CG 2.92Å; T231-L235 PolarHBondContact O-N 3.12Å; Q232-L235 PolarHBondContact O-N 2.91Å; L235-A237 PolarHBondContact O-N 2.92Å; L235-A238 PolarHBondContact O-N 3.28Å; L235-E239 PolarHBondContact O-N 3.1Å |
| 236 | L | 95.1 | Very high | 89.2 | Confident | 79 Ų | 79 | 107.2 Ų | 107.2 | 41% | 0.414 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -24.6 | 177.2 | -74.2 | 170.9 | 0 | 0 | 0 | 114.2 | Q232 R240 | Q232-L236 WeakPolarHBondContact O-CB 3.26Å; Q232-L236 WeakPolarHBondContact O-CG 3.15Å; Q232-L236 PolarHBondContact O-N 3.47Å; L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.04Å; L236-R240 PolarHBondContact O-NH1 3.1Å |
| 237 | A | 91.9 | Very high | 88.3 | Confident | 42 Ų | 42 | 106.9 Ų | 106.9 | 35% | 0.347 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | R233 K234 L235 E239 R240 D241 | R233-A237 WeakPolarHBondContact O-CB 3.15Å; R233-A237 PolarHBondContact O-N 2.87Å; K234-A237 PolarHBondContact O-N 3.24Å; L235-A237 PolarHBondContact O-N 2.92Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.91Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 2.7Å; A237-R240 VanDerWaalsContact O-N 3.09Å; A237-D241 VanDerWaalsContact O-CG 3.29Å; A237-D241 PolarHBondContact O-N 3.42Å |
| 238 | A | 91.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K234 L235 D241 S242 | K234-A238 PolarHBondContact O-N 2.83Å; L235-A238 PolarHBondContact O-N 3.28Å; A238-D241 PolarHBondContact O-N 2.99Å; A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-OG 3.08Å |
| 239 | E | 90.3 | Very high | 86.1 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 173.2 | -77.3 | 175.2 | 173.9 | 0 | 0 | 112.1 | L235 A237 S242 Q243 | L235-E239 PolarHBondContact O-N 3.1Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.91Å; E239-S242 WeakPolarHBondContact CA-OG 3.19Å; E239-S242 PolarHBondContact O-OG 3.06Å; E239-Q243 WeakPolarHBondContact O-CB 3.33Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.43Å; E239-Q243 PolarHBondContact O-N 2.94Å |
| 240 | R | 86.4 | Confident | 84.8 | Confident | 161 Ų | 161 | 106.5 Ų | 106.5 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | 175.4 | -79.5 | -175.4 | 179.5 | 91.9 | -0.9 | 112.2 | L236 A237 S242 Q243 A244 | L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.04Å; L236-R240 PolarHBondContact O-NH1 3.1Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 2.7Å; A237-R240 VanDerWaalsContact O-N 3.09Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.42Å; R240-Q243 PolarHBondContact O-N 3.22Å; R240-A244 PolarHBondContact O-N 3.22Å |
| 241 | D | 85.7 | Confident | 83.6 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.6 | -61.3 | -19.8 | 0 | 0 | 0 | 109.8 | A237 A238 Q243 A244 D245 | A237-D241 VanDerWaalsContact O-CG 3.29Å; A237-D241 PolarHBondContact O-N 3.42Å; A238-D241 PolarHBondContact O-N 2.99Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 2.92Å; D241-A244 PolarHBondContact O-N 3.18Å; D241-D245 VanDerWaalsContact O-CG 3.25Å; D241-D245 PolarHBondContact O-N 3.39Å |
| 242 | S | 83.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -28.6 | 175.3 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | A238 E239 R240 A246 | A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-OG 3.08Å; E239-S242 WeakPolarHBondContact CA-OG 3.19Å; E239-S242 PolarHBondContact O-OG 3.06Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.42Å; S242-A246 WeakPolarHBondContact O-CB 3.34Å; S242-A246 PolarHBondContact O-N 3.39Å; S242-A246 VanDerWaalsContact O-N 3.1Å |
| 243 | Q | 80.3 | Confident | 80.5 | Confident | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73 | -39.4 | 173.7 | -79.2 | 173.5 | -7.9 | 0 | 0 | 110.8 | E239 R240 D241 A246 E247 | E239-Q243 WeakPolarHBondContact O-CB 3.33Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.43Å; E239-Q243 PolarHBondContact O-N 2.94Å; R240-Q243 PolarHBondContact O-N 3.22Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 2.92Å; Q243-A246 PolarHBondContact O-N 2.98Å; Q243-E247 WeakPolarHBondContact O-CB 3.44Å; Q243-E247 WeakPolarHBondContact O-CG 3.33Å; Q243-E247 PolarHBondContact O-N 3.32Å |
| 244 | A | 79.9 | Confident | 79 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R240 D241 A246 E247 E248 | R240-A244 PolarHBondContact O-N 3.22Å; D241-A244 PolarHBondContact O-N 3.18Å; A244-A246 VanDerWaalsContact C-N 3.32Å; A244-A246 PolarHBondContact O-N 3.3Å; A244-E247 PolarHBondContact O-N 2.97Å; A244-E248 WeakPolarHBondContact O-CB 3.5Å; A244-E248 PolarHBondContact O-N 3.49Å |
| 245 | D | 79.3 | Confident | 77.5 | Confident | 92 Ų | 92 | 91 Ų | 91 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.8 | -64.3 | -25.8 | 0 | 0 | 0 | 111.4 | D241 E248 D249 | D241-D245 VanDerWaalsContact O-CG 3.25Å; D241-D245 PolarHBondContact O-N 3.39Å; D245-E248 PolarHBondContact O-N 3.14Å; D245-D249 WeakPolarHBondContact O-CB 3.33Å; D245-D249 PolarHBondContact O-N 3.16Å |
| 246 | A | 75.9 | Confident | 75.9 | Confident | 58 Ų | 58 | 89.2 Ų | 89.2 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S242 Q243 A244 D250 | S242-A246 WeakPolarHBondContact O-CB 3.34Å; S242-A246 PolarHBondContact O-N 3.39Å; S242-A246 VanDerWaalsContact O-N 3.1Å; Q243-A246 PolarHBondContact O-N 2.98Å; A244-A246 VanDerWaalsContact C-N 3.32Å; A244-A246 PolarHBondContact O-N 3.3Å; A246-D250 VanDerWaalsContact O-CB 3.29Å; A246-D250 WeakPolarHBondContact O-CB 3.38Å; A246-D250 PolarHBondContact O-N 2.9Å |
| 247 | E | 71.9 | Confident | 74 | Confident | 141 Ų | 141 | 88.2 Ų | 88.2 | 66% | 0.659 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69 | -35.4 | 172.7 | -75 | 175.9 | -174.1 | 0 | 0 | 111.7 | Q243 A244 A251 | Q243-E247 WeakPolarHBondContact O-CB 3.44Å; Q243-E247 WeakPolarHBondContact O-CG 3.33Å; Q243-E247 PolarHBondContact O-N 3.32Å; A244-E247 PolarHBondContact O-N 2.97Å; E247-A251 WeakPolarHBondContact O-CB 3.29Å; E247-A251 PolarHBondContact O-N 2.87Å |
| 248 | E | 70.3 | Confident | 72.2 | Confident | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.8 | -42.2 | 173.4 | -80.6 | -172.7 | 167.2 | 0 | 0 | 112 | A244 D245 A251 I252 | A244-E248 WeakPolarHBondContact O-CB 3.5Å; A244-E248 PolarHBondContact O-N 3.49Å; D245-E248 PolarHBondContact O-N 3.14Å; E248-A251 PolarHBondContact O-N 3.4Å; E248-I252 WeakPolarHBondContact O-CB 3.32Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.39Å; E248-I252 PolarHBondContact O-N 3.38Å |
| 249 | D | 65.4 | Low | 70.3 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 174.6 | -78.9 | -20.3 | 0 | 0 | 0 | 111.8 | D245 I252 L253 | D245-D249 WeakPolarHBondContact O-CB 3.33Å; D245-D249 PolarHBondContact O-N 3.16Å; D249-I252 PolarHBondContact O-N 3.31Å; D249-L253 WeakPolarHBondContact O-CB 3.45Å; D249-L253 VanDerWaalsContact O-CG 3.31Å; D249-L253 WeakPolarHBondContact O-CG 3.36Å; D249-L253 PolarHBondContact O-N 3.4Å |
| 250 | D | 67.6 | Low | 68.3 | Low | 111 Ų | 111 | 98.5 Ų | 98.5 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -40.1 | 174.3 | -152.7 | 31.8 | 0 | 0 | 0 | 110.6 | A246 L253 T254 | A246-D250 VanDerWaalsContact O-CB 3.29Å; A246-D250 WeakPolarHBondContact O-CB 3.38Å; A246-D250 PolarHBondContact O-N 2.9Å; D250-L253 PolarHBondContact O-N 3.42Å; D250-T254 PolarHBondContact O-N 2.76Å; D250-T254 PolarHBondContact O-OG1 2.94Å |
| 251 | A | 67.5 | Low | 66.4 | Low | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E247 E248 T254 A255 | E247-A251 WeakPolarHBondContact O-CB 3.29Å; E247-A251 PolarHBondContact O-N 2.87Å; E248-A251 PolarHBondContact O-N 3.4Å; A251-T254 VanDerWaalsContact CA-OG1 3.26Å; A251-T254 WeakPolarHBondContact CA-OG1 3.44Å; A251-T254 PolarHBondContact O-N 3.19Å; A251-T254 PolarHBondContact O-OG1 3.34Å; A251-A255 PolarHBondContact O-N 2.92Å |
| 252 | I | 65.8 | Low | 64.4 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.1 | -67.8 | 162.1 | 0 | 0 | 0 | 110.3 | E248 D249 T254 A255 V256 | E248-I252 WeakPolarHBondContact O-CB 3.32Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.39Å; E248-I252 PolarHBondContact O-N 3.38Å; D249-I252 PolarHBondContact O-N 3.31Å; I252-T254 PolarHBondContact O-N 2.88Å; I252-A255 PolarHBondContact O-N 3.45Å; I252-V256 HydrophobicContact CG2-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.42Å |
| 253 | L | 60.2 | Low | 62.3 | Low | 121 Ų | 121 | 103.5 Ų | 103.5 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.6 | -41.1 | 174.3 | -77.6 | 163.7 | 0 | 0 | 0 | 112.3 | D249 D250 S257 | D249-L253 WeakPolarHBondContact O-CB 3.45Å; D249-L253 VanDerWaalsContact O-CG 3.31Å; D249-L253 WeakPolarHBondContact O-CG 3.36Å; D249-L253 PolarHBondContact O-N 3.4Å; D250-L253 PolarHBondContact O-N 3.42Å; L253-S257 PolarHBondContact O-N 3.36Å; L253-S257 VanDerWaalsContact O-N 3.13Å; L253-S257 PolarHBondContact O-OG 3.08Å |
| 254 | T | 62.3 | Low | 60.2 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.6 | -39.1 | 172 | 26.6 | 0 | 0 | 0 | 0 | 113.3 | D250 A251 I252 S257 D258 | D250-T254 PolarHBondContact O-N 2.76Å; D250-T254 PolarHBondContact O-OG1 2.94Å; A251-T254 VanDerWaalsContact CA-OG1 3.26Å; A251-T254 WeakPolarHBondContact CA-OG1 3.44Å; A251-T254 PolarHBondContact O-N 3.19Å; A251-T254 PolarHBondContact O-OG1 3.34Å; I252-T254 PolarHBondContact O-N 2.88Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.46Å; T254-S257 PolarHBondContact O-OG 2.62Å; T254-D258 PolarHBondContact O-N 2.75Å |
| 255 | A | 62.3 | Low | 58.2 | Low | 50 Ų | 50 | 106.2 Ų | 106.2 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A251 I252 D258 E259 | A251-A255 PolarHBondContact O-N 2.92Å; I252-A255 PolarHBondContact O-N 3.45Å; A255-D258 PolarHBondContact O-N 3.42Å; A255-E259 PolarHBondContact O-N 2.93Å |
| 256 | V | 60.8 | Low | 56.1 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72 | -31.5 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | I252 Q260 | I252-V256 HydrophobicContact CG2-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.42Å; V256-Q260 PolarHBondContact O-N 3.13Å |
| 257 | S | 56.7 | Low | 53.9 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 40% | 0.399 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.2 | -36.1 | 168.6 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | L253 T254 Q260 E261 | L253-S257 PolarHBondContact O-N 3.36Å; L253-S257 VanDerWaalsContact O-N 3.13Å; L253-S257 PolarHBondContact O-OG 3.08Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.46Å; T254-S257 PolarHBondContact O-OG 2.62Å; S257-Q260 PolarHBondContact O-N 3.44Å; S257-E261 PolarHBondContact O-N 2.8Å |
| 258 | D | 53.5 | Low | 52.2 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.2 | -31.4 | 177.1 | -75.6 | -18.6 | 0 | 0 | 0 | 112.5 | T254 A255 | T254-D258 PolarHBondContact O-N 2.75Å; A255-D258 PolarHBondContact O-N 3.42Å |
| 259 | E | 52.2 | Low | 50.2 | Low | 156 Ų | 156 | 113.3 Ų | 113.3 | 73% | 0.729 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.6 | -26.6 | 173.1 | -76.3 | -173.7 | 165 | 0 | 0 | 113.1 | A255 | A255-E259 PolarHBondContact O-N 2.93Å |
| 260 | Q | 47.3 | Very low | 48.9 | Very low | 155 Ų | 155 | 114.1 Ų | 114.1 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.6 | -20 | 172.8 | -89.3 | 176 | -58.2 | 0 | 0 | 113.8 | V256 S257 | V256-Q260 PolarHBondContact O-N 3.13Å; S257-Q260 PolarHBondContact O-N 3.44Å |
| 261 | E | 46.9 | Very low | 47.4 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.1 | 171.8 | -70.7 | -159.8 | 170.5 | 0 | 0 | 113.9 | S257 | S257-E261 PolarHBondContact O-N 2.8Š|
| 262 | A | 44.2 | Very low | 46 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 263 | E | 38.5 | Very low | 44.4 | Very low | 187 Ų | 187 | 121.7 Ų | 121.7 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -101.6 | -11.8 | 173.4 | -97.7 | -158.9 | 163.1 | 0 | 0 | 115.4 | ||
| 264 | D | 35.4 | Very low | 43.5 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -113.7 | 91.7 | 174.1 | -97.9 | -23.5 | 0 | 0 | 0 | 111 | ||
| 265 | G | 38.2 | Very low | 42.3 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | trans | -80.8 | 148.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 266 | K | 35 | Very low | 41 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | 71.9 | 128.6 | 168 | -67.6 | 164 | 171.8 | 169.2 | 0 | 114.4 | ||||
| 267 | D | 31.1 | Very low | 39.8 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | -165.6 | 147.9 | 52.6 | -124.4 | -15.7 | 0 | 0 | 0 | 112 | |||||
| 268 | S | 35.8 | Very low | 38.9 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 26.8 | 134.8 | 146.3 | 78.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 269 | T | 28.7 | Very low | 38.9 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | 123 | 124.4 | 123.4 | -38.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 270 | T | 37.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -35.7 | 144.8 | 166 | -38.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 271 | V | 34.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -166.8 | 135.8 | 125.6 | 162.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 272 | Q | 38.5 | Very low | 39.6 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -65 | 157 | 172.3 | -63 | 169.1 | -22.3 | 0 | 0 | 112.7 | ||||
| 273 | T | 33.4 | Very low | 39.3 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | 168 | 114.7 | 125 | -74.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 274 | Q | 39.7 | Very low | 39.4 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 60.9 | 120.4 | 133.5 | -58.4 | 175 | 17 | 0 | 0 | 124.5 | ||||
| 275 | Q | 37.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 128 Ų | 128 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | 69.9 | 128.8 | 124.3 | -65.4 | -179.8 | 4.7 | 0 | 0 | 121.6 | |||||
| 276 | G | 33.9 | Very low | 40.3 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 149.7 | 59 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 277 | S | 37.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -88.9 | 113.4 | 170 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 278 | T | 37.7 | Very low | 41.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -121.2 | 110.5 | 163.9 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 279 | S | 52.8 | Low | 42.2 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -80.7 | 159 | 167.6 | -20.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 280 | P | 57.3 | Low | 42.9 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -124.8 | 162.8 | 144 | 14.4 | 6.8 | 0 | 0 | 0 | 113.7 | ||||
| 281 | P | 57.1 | Low | 43.2 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | trans | -109.9 | 161.8 | -147.7 | 38 | -27.8 | 0 | 0 | 0 | 114.7 | ||||
| 282 | T | 46.7 | Very low | 43.7 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 91% | 0.914 | 83% | 0.833 | S | S | * | * | trans | -69.8 | 145.8 | 162.6 | 23.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 283 | G | 38 | Very low | 44 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -176.9 | 88 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 284 | N | 41.2 | Very low | 44.8 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | 32.6 | 134.1 | 148.3 | -84.9 | -10.5 | 0 | 0 | 0 | 125 | ||||
| 285 | S | 41.4 | Very low | 45.1 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 86% | 0.855 | S | S | * | * | trans | -24.8 | 135.8 | 143.5 | 52.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 286 | D | 51.3 | Low | 45.7 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -138.9 | 138.2 | 144.6 | -120.6 | -25.6 | 0 | 0 | 0 | 111.7 | ||||
| 287 | K | 51.1 | Low | 46.7 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 88% | 0.878 | 86% | 0.86 | S | S | * | * | trans | -82 | 138.8 | 178.5 | -79 | 174.2 | 172.8 | 174.7 | 0 | 110.2 | ||||
| 288 | K | 48 | Very low | 47.5 | Very low | 279 Ų | 279 | 148.4 Ų | 148.4 | 100% | 1.213 | 86% | 0.862 | S | S | * | * | trans | -154.3 | 0 | 137.4 | -134.7 | 177.6 | -174 | 177.7 | 0 | 110.8 |
Retrieved 288 of 288 residues in 273.4 ms
(Link to these results)