| 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 | 38.5 | Very low | 35.6 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 100% | 1.094 | 77% | 0.767 | S | S | * | * | 0 | 150 | 0 | -154.3 | 164.6 | 160.3 | 0 | 0 | 107 | |||||
| 2 | Q | 35.5 | Very low | 35.5 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | 78.3 | 100.6 | -173.8 | -85 | 73.9 | 23.7 | 0 | 0 | 115.3 | ||||
| 3 | T | 36.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | 62.6 | 106 | 64.3 | 68.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 4 | E | 32.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | 81.8 | 140.8 | 77.2 | -155.8 | -167.4 | 135.4 | 0 | 0 | 112.1 | |||||
| 5 | K | 39.4 | Very low | 36.3 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | 89.5 | 138.4 | 161.1 | -57.9 | -168 | 173.5 | -174.5 | 0 | 116.2 | ||||
| 6 | D | 34.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | cis | -165.4 | 154 | -6.7 | -105.5 | -32 | 0 | 0 | 0 | 106.5 | ||||
| 7 | A | 37 | Very low | 37 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -67.5 | 170.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | P | 41.6 | Very low | 37.3 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -157.1 | -178.5 | 51.3 | 39.1 | -14.8 | 0 | 0 | 0 | 118.4 | |||||
| 9 | S | 30.4 | Very low | 37.4 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | 104.4 | 100.1 | 136.7 | -175.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 10 | K | 32.8 | Very low | 37.8 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | 74.2 | 115.6 | 129.9 | -65.1 | 178.4 | -177.3 | 177.5 | 0 | 120.1 | |||||
| 11 | G | 33.3 | Very low | 38.4 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 170.5 | 63.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K13 | G11-K13 PolarHBondContact O-N 3.23Š| ||
| 12 | K | 34 | Very low | 38.6 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | -69.5 | 99.4 | 174.4 | -109.2 | 179.2 | 177.7 | 177.8 | 0 | 108.9 | I14 | K12-I14 PolarHBondContact O-N 3.47Š| ||
| 13 | K | 36.4 | Very low | 39.1 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -77.3 | 107.5 | 165.4 | -75.3 | -177.1 | 178.5 | 179.6 | 0 | 108.2 | G11 Y15 | G11-K13 PolarHBondContact O-N 3.23Å; K13-Y15 PolarHBondContact O-N 2.9Å | ||
| 14 | I | 44.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 109.3 | 170.2 | -66.6 | 164.5 | 0 | 0 | 0 | 106.4 | K12 H16 | K12-I14 PolarHBondContact O-N 3.47Å; I14-H16 PolarHBondContact O-N 3.18Å | ||
| 15 | Y | 37.8 | Very low | 40.2 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -76.4 | 106.8 | 168.9 | -76 | -86.4 | 0 | 0 | 0 | 107.8 | K13 I17 | K13-Y15 PolarHBondContact O-N 2.9Å; Y15-I17 PolarHBondContact O-N 2.84Å; Y15-I17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | H | 38.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | trans | -62.5 | 106.4 | 165.4 | -88.9 | -86.9 | 0 | 0 | 0 | 108.3 | I14 F18 | I14-H16 PolarHBondContact O-N 3.18Å; H16-F18 VanDerWaalsContact C-N 3.33Å; H16-F18 PolarHBondContact O-N 2.97Å | ||
| 17 | I | 46.3 | Very low | 41 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -67.2 | 99.2 | 163.1 | -64.1 | 169.6 | 0 | 0 | 0 | 105.5 | Y15 S19 | Y15-I17 PolarHBondContact O-N 2.84Å; Y15-I17 VanDerWaalsContact O-N 3.1Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.1Å | ||
| 18 | F | 42 | Very low | 41.6 | Very low | 188 Ų | 188 | 145 Ų | 145 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -65.7 | 93.5 | 165.8 | -108.5 | -95 | 0 | 0 | 0 | 107 | H16 L20 | H16-F18 VanDerWaalsContact C-N 3.33Å; H16-F18 PolarHBondContact O-N 2.97Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.74Å | ||
| 19 | S | 39.5 | Very low | 42 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | trans | -65.6 | 100.9 | 163 | -166.3 | 0 | 0 | 0 | 0 | 106.4 | I17 V21 | I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.1Å; S19-V21 PolarHBondContact O-N 3.18Å | ||
| 20 | L | 46.1 | Very low | 43.4 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 90.2 | 164.8 | -93 | 149.8 | 0 | 0 | 0 | 106.6 | F18 F22 | F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.74Å; L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 PolarHBondContact O-N 3.42Å | ||
| 21 | V | 49 | Very low | 44.7 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 65% | 0.648 | 74% | 0.739 | S | S | * | * | trans | -61.9 | 100.4 | 161.8 | 177.3 | 0 | 0 | 0 | 0 | 104.9 | S19 F23 | S19-V21 PolarHBondContact O-N 3.18Å; V21-F23 HydrophobicContact CG1-CD2 4.22Å; V21-F23 PolarHBondContact O-N 3.25Å | ||
| 22 | F | 43.2 | Very low | 46.3 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | trans | -62.5 | 93.9 | 164.5 | -145 | -94 | 0 | 0 | 0 | 104.9 | L20 G24 | L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 PolarHBondContact O-N 3.42Å; F22-G24 PolarHBondContact O-N 2.98Å | ||
| 23 | F | 45.5 | Very low | 48.4 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | trans | -66.2 | 86.3 | 166.6 | -131.3 | -92.2 | 0 | 0 | 0 | 104.3 | V21 C25 | V21-F23 HydrophobicContact CG1-CD2 4.22Å; V21-F23 PolarHBondContact O-N 3.25Å; F23-C25 PolarHBondContact O-N 3.25Å | ||
| 24 | G | 46.3 | Very low | 50.7 | Low | 47 Ų | 47 | 119.8 Ų | 119.8 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | trans | -53.6 | 115.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | F22 L26 | F22-G24 PolarHBondContact O-N 2.98Å; G24-L26 PolarHBondContact O-N 2.89Å | ||
| 25 | C | 47 | Very low | 52.8 | Low | 112 Ų | 112 | 117.9 Ų | 117.9 | 76% | 0.757 | 64% | 0.64 | S | S | * | * | trans | -56.9 | 92.2 | 160.9 | -68.6 | 0 | 0 | 0 | 0 | 105.7 | F23 N27 | F23-C25 PolarHBondContact O-N 3.25Å; C25-N27 PolarHBondContact O-N 3.28Å | ||
| 26 | L | 47.1 | Very low | 55.4 | Low | 167 Ų | 167 | 109.8 Ų | 109.8 | 87% | 0.874 | 61% | 0.61 | S | S | * | * | trans | -63.5 | 81.9 | 148.5 | -75.8 | 163.1 | 0 | 0 | 0 | 103.8 | G24 S28 | G24-L26 PolarHBondContact O-N 2.89Å; L26-S28 PolarHBondContact O-N 3.34Å | ||
| 27 | N | 42.9 | Very low | 58 | Low | 141 Ų | 141 | 105.6 Ų | 105.6 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | trans | -54.3 | 105.3 | 147.2 | -76.3 | -23.8 | 0 | 0 | 0 | 102.8 | C25 G29 | C25-N27 PolarHBondContact O-N 3.28Å; N27-G29 PolarHBondContact O-N 3.47Å | ||
| 28 | S | 49.2 | Very low | 60.4 | Low | 116 Ų | 116 | 100.6 Ų | 100.6 | 81% | 0.811 | 57% | 0.57 | S | S | * | * | trans | -63.3 | 75.5 | 153.1 | 54.1 | 0 | 0 | 0 | 0 | 104.7 | L26 E30 | L26-S28 PolarHBondContact O-N 3.34Å; S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 3.29Å | ||
| 29 | G | 51.1 | Low | 62.8 | Low | 53 Ų | 53 | 95.1 Ų | 95.1 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | trans | -55.6 | 110.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 103.5 | N27 V31 | N27-G29 PolarHBondContact O-N 3.47Å; G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 2.93Å | ||
| 30 | E | 58.3 | Low | 65.3 | Low | 147 Ų | 147 | 95.5 Ų | 95.5 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | trans | -54.8 | 106.8 | 171.6 | -164 | 165.2 | -157.4 | 0 | 0 | 104.8 | S28 G32 F60 | S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 3.29Å; E30-G32 PolarHBondContact O-N 3.48Å; E30-F60 HydrophobicContact CG-CE2 4.19Å; E30-F60 HydrophobicContact CG-CZ 4.46Å; E30-F60 WeakPolarHBondContact OE1-CZ 3.3Å | ||
| 31 | V | 60 | Low | 67.6 | Low | 88 Ų | 88 | 91 Ų | 91 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | trans | -68.5 | 106.7 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 105.2 | G29 A33 I130 F131 | G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 2.93Å; V31-A33 PolarHBondContact O-N 3.41Å; V31-A33 VanDerWaalsContact O-N 3.12Å; V31-I130 HydrophobicContact CG1-CD1 4.49Å; V31-F131 HydrophobicContact CG1-CD2 3.77Å; V31-F131 HydrophobicContact CG1-CE2 3.56Å | ||
| 32 | G | 66.9 | Low | 69.9 | Low | 13 Ų | 13 | 90 Ų | 90 | 13% | 0.134 | 52% | 0.524 | C | S | . | . | trans | -57.9 | 114.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E30 D129 I130 | E30-G32 PolarHBondContact O-N 3.48Å; G32-D129 WeakPolarHBondContact CA-OD1 3.17Å; G32-I130 PolarHBondContact O-N 3.39Å | ||
| 33 | A | 78.6 | Confident | 72.4 | Confident | 39 Ų | 39 | 82 Ų | 82 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 135.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108 | V31 N35 D129 F131 | V31-A33 PolarHBondContact O-N 3.41Å; V31-A33 VanDerWaalsContact O-N 3.12Å; A33-N35 PolarHBondContact O-N 2.99Å; A33-N35 VanDerWaalsContact O-N 3.09Å; A33-D129 PolarHBondContact N-OD1 3.4Å; A33-F131 HydrophobicContact CB-CB 3.86Å; A33-F131 HydrophobicContact CB-CD2 4.32Å |
| 34 | V | 85.6 | Confident | 74.9 | Confident | 10 Ų | 10 | 80.1 Ų | 80.1 | 6% | 0.061 | 48% | 0.478 | C | S | . | . | trans | -71.2 | 107.7 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | M36 Y57 I124 I126 D129 F131 | V34-M36 PolarHBondContact O-N 3.32Å; V34-Y57 HydrophobicContact CG1-CD2 4.09Å; V34-Y57 HydrophobicContact CG1-CG 4.24Å; V34-I124 HydrophobicContact CG1-CB 4.32Å; V34-I124 HydrophobicContact CG1-CG2 4.12Å; V34-I126 HydrophobicContact CG2-CB 4.44Å; V34-I126 HydrophobicContact CG2-CD1 3.96Å; V34-I126 HydrophobicContact CG2-CG1 4.11Å; V34-D129 HydrophobicContact CG2-CB 4.04Å; V34-D129 VanDerWaalsContact CG2-OD2 3.24Å; V34-D129 WeakPolarHBondContact CG2-OD2 3.36Å; V34-F131 PolarHBondContact N-O 3.42Å; V34-F131 VanDerWaalsContact N-O 3.13Å | ||
| 35 | N | 87.6 | Confident | 77.2 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.6 | 174.7 | -175.8 | 13.4 | 0 | 0 | 0 | 108.9 | A33 Y57 S58 | A33-N35 PolarHBondContact O-N 2.99Å; A33-N35 VanDerWaalsContact O-N 3.09Å; N35-Y57 CarbonylContact O-C 3.59Å; N35-Y57 WeakPolarHBondContact O-CA 3.38Å; N35-S58 PolarHBondContact N-O 2.86Å; N35-S58 PolarHBondContact O-N 3.4Å |
| 36 | M | 92.3 | Very high | 79.6 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.6 | -177.2 | -169.1 | 170.8 | 70.8 | 0 | 0 | 112 | V34 V55 R56 V122 I124 E134 | V34-M36 PolarHBondContact O-N 3.32Å; M36-V55 HydrophobicContact SD-CB 4.48Å; M36-R56 CarbonylContact C-O 3.51Å; M36-R56 WeakPolarHBondContact CA-O 3.45Å; M36-V122 HydrophobicContact CE-CG1 3.63Å; M36-V122 HydrophobicContact SD-CG1 3.98Å; M36-I124 HydrophobicContact SD-CD1 3.67Å; M36-I124 HydrophobicContact SD-CG1 3.99Å; M36-E134 WeakPolarHBondContact CE-O 3.26Å |
| 37 | T | 93.9 | Very high | 82 | Confident | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.1 | 179 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | R56 | T37-R56 PolarHBondContact N-O 3.47Å; T37-R56 PolarHBondContact O-N 3.29Å; T37-R56 PolarHBondContact OG1-O 2.9Å |
| 38 | I | 95.7 | Very high | 84.6 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | trans | -119.2 | 109.3 | 179.3 | -59.2 | -175.8 | 0 | 0 | 0 | 107.7 | V55 I137 | I38-V55 HydrophobicContact CG1-CG1 4.15Å; I38-I137 HydrophobicContact CD1-CG1 4.1Å; I38-I137 HydrophobicContact CG2-CD1 3.82Å; I38-I137 HydrophobicContact CG2-CG1 3.74Å | ||
| 39 | P | 93.1 | Very high | 86.9 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -68 | -38 | -177.7 | 25.7 | -33.4 | 0 | 0 | 0 | 112.6 | S54 | P39-S54 WeakPolarHBondContact CD-O 3.22Š|
| 40 | N | 92.6 | Very high | 89.1 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | trans | -134.6 | 114.2 | -178.6 | -68.7 | -40.1 | 0 | 0 | 0 | 110 | I43 | N40-I43 HydrophobicContact CB-CD1 3.87Š| ||
| 41 | A | 93.9 | Very high | 91 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -82.4 | -12.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T138 | A41-T138 PolarHBondContact O-N 2.73Š|
| 42 | L | 96.7 | Very high | 92.8 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120 | 176.9 | 176.7 | 64.9 | 0 | 0 | 0 | 110.2 | T138 T140 | L42-T138 CarbonylContact C-O 3.57Å; L42-T138 WeakPolarHBondContact CA-O 3.03Å; L42-T138 HydrophobicContact CD1-CG2 4.13Å; L42-T140 HydrophobicContact CD1-CG2 3.99Å |
| 43 | I | 97.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.138 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.3 | 175.9 | -55.4 | -59.9 | 0 | 0 | 0 | 108.7 | N40 A51 L53 I137 T138 L139 T140 | N40-I43 HydrophobicContact CB-CD1 3.87Å; I43-A51 HydrophobicContact CG2-CB 4.1Å; I43-L53 HydrophobicContact CB-CD2 4.41Å; I43-L53 HydrophobicContact CG1-CD2 4.16Å; I43-I137 HydrophobicContact CG1-CG2 3.81Å; I43-T138 PolarHBondContact N-O 2.88Å; I43-L139 HydrophobicContact CB-CD1 4.16Å; I43-L139 HydrophobicContact CG2-CD1 3.97Å; I43-L139 WeakPolarHBondContact O-CA 3.5Å; I43-T140 PolarHBondContact O-N 3.19Å |
| 44 | R | 96 | Very high | 95.1 | Very high | 146 Ų | 146 | 55 Ų | 55 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.5 | 175.9 | -59.3 | -173.5 | 177.1 | -85.1 | 1.1 | 109 | ||
| 45 | G | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T140 V141 D142 | G45-T140 PolarHBondContact N-O 2.97Å; G45-V141 WeakPolarHBondContact O-CA 3.38Å; G45-D142 PolarHBondContact O-N 2.91Å |
| 46 | A | 97.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G48 G49 D142 L223 | A46-G48 PolarHBondContact O-N 2.86Å; A46-G49 WeakPolarHBondContact O-CA 3.36Å; A46-G49 PolarHBondContact O-N 3.46Å; A46-D142 CarbonylContact C-O 3.6Å; A46-D142 VanDerWaalsContact CA-O 3.26Å; A46-D142 WeakPolarHBondContact CA-O 3.41Å; A46-L223 HydrophobicContact CB-CD1 3.68Å; A46-L223 HydrophobicContact CB-CD2 4.24Å |
| 47 | V | 97.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 133.5 | 174.3 | 176 | 0 | 0 | 0 | 0 | 110.7 | G49 L112 L114 V141 D142 E143 | V47-G49 PolarHBondContact O-N 2.89Å; V47-L112 WeakPolarHBondContact CA-O 3.41Å; V47-L114 HydrophobicContact CG2-CD2 3.56Å; V47-L114 HydrophobicContact CG2-CG 3.89Å; V47-V141 HydrophobicContact CG2-CG1 3.98Å; V47-D142 PolarHBondContact N-O 3.31Å; V47-E143 HydrophobicContact CG2-CB 4.02Å; V47-E143 HydrophobicContact CG2-CG 4.34Å |
| 48 | G | 96.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -10.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | A46 L112 | A46-G48 PolarHBondContact O-N 2.86Å; G48-L112 PolarHBondContact N-O 2.81Å |
| 49 | G | 97 | Very high | 95.3 | Very high | 27 Ų | 27 | 58 Ų | 58 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -82.5 | -157.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A46 V47 N111 L112 | A46-G49 WeakPolarHBondContact O-CA 3.36Å; A46-G49 PolarHBondContact O-N 3.46Å; V47-G49 PolarHBondContact O-N 2.89Å; G49-N111 WeakPolarHBondContact O-CA 3.42Å; G49-N111 PolarHBondContact O-N 3.47Å; G49-L112 WeakPolarHBondContact O-CG 3.35Å; G49-L112 PolarHBondContact O-N 2.86Å |
| 50 | E | 97.4 | Very high | 94.8 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | trans | -130.9 | 148 | -177 | -50.8 | -178.3 | 166.1 | 0 | 0 | 110.5 | L108 L109 H110 | E50-L108 HydrophobicContact CB-CD1 4.14Å; E50-L109 CarbonylContact C-O 3.53Å; E50-L109 VanDerWaalsContact CA-O 3.28Å; E50-L109 WeakPolarHBondContact CA-O 3.28Å; E50-H110 VanDerWaalsContact CD-CE1 3.44Å; E50-H110 WeakPolarHBondContact CG-ND1 3.49Å; E50-H110 IonicContact OE1-CE1 3.69Å; E50-H110 PolarHBondContact OE1-CE1 3.35Å; E50-H110 IonicContact OE1-CG 3.51Å; E50-H110 IonicContact OE1-ND1 3.57Å; E50-H110 PolarHBondContact OE1-ND1 3.18Å; E50-H110 IonicContact OE2-CE1 2.7Å; E50-H110 IonicContact OE2-ND1 2.93Å | ||
| 51 | A | 97.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I43 L109 L112 L139 | I43-A51 HydrophobicContact CG2-CB 4.1Å; A51-L109 PolarHBondContact N-O 3.35Å; A51-L109 PolarHBondContact O-N 3.08Å; A51-L112 HydrophobicContact CB-CD1 3.89Å; A51-L112 HydrophobicContact CB-CD2 3.91Å; A51-L112 HydrophobicContact CB-CG 4.42Å; A51-L139 HydrophobicContact CB-CD1 3.61Å; A51-L139 HydrophobicContact CB-CD2 4.04Å; A51-L139 HydrophobicContact CB-CG 4.5Å |
| 52 | L | 97.7 | Very high | 93.9 | Very high | 80 Ų | 80 | 63 Ų | 63 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106.1 | 175.7 | -168.4 | 72.8 | 0 | 0 | 0 | 109.7 | S54 F102 T106 L108 | L52-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact O-N 3.15Å; L52-F102 HydrophobicContact CD1-CD2 4.49Å; L52-F102 HydrophobicContact CD1-CE2 3.81Å; L52-T106 HydrophobicContact CD1-CG2 3.39Å; L52-T106 HydrophobicContact CD2-CG2 4.39Å; L52-T106 HydrophobicContact CG-CG2 3.69Å; L52-L108 HydrophobicContact CD1-CB 3.87Å; L52-L108 HydrophobicContact CD1-CD1 4.12Å |
| 53 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 82.2 | 175.4 | -55.9 | -177.9 | 0 | 0 | 0 | 108.5 | I43 W69 T106 L107 Y120 I137 L139 | I43-L53 HydrophobicContact CB-CD2 4.41Å; I43-L53 HydrophobicContact CG1-CD2 4.16Å; L53-W69 HydrophobicContact CB-CH2 3.69Å; L53-W69 HydrophobicContact CB-CZ2 4.23Å; L53-W69 HydrophobicContact CB-CZ3 4.02Å; L53-W69 HydrophobicContact CD1-CE3 4.27Å; L53-W69 HydrophobicContact CD1-CZ3 4.01Å; L53-T106 WeakPolarHBondContact O-CA 3.35Å; L53-T106 WeakPolarHBondContact O-CG2 3.27Å; L53-L107 HydrophobicContact CB-CB 4.3Å; L53-L107 HydrophobicContact CD1-CD2 4.16Å; L53-L107 PolarHBondContact N-O 2.85Å; L53-L107 PolarHBondContact O-N 2.91Å; L53-L107 VanDerWaalsContact O-N 3.16Å; L53-Y120 HydrophobicContact CD1-CD1 3.85Å; L53-Y120 HydrophobicContact CD1-CD2 4.1Å; L53-Y120 HydrophobicContact CD1-CE1 4.38Å; L53-Y120 HydrophobicContact CD1-CG 3.71Å; L53-I137 HydrophobicContact CB-CD1 4.14Å; L53-I137 HydrophobicContact CD2-CB 4.42Å; L53-I137 HydrophobicContact CD2-CG2 3.79Å; L53-L139 HydrophobicContact CD2-CB 4.32Å |
| 54 | S | 96.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | trans | -78.1 | 129.5 | -170.5 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | P39 L52 T106 I137 | P39-S54 WeakPolarHBondContact CD-O 3.22Å; L52-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact O-N 3.15Å; S54-T106 WeakPolarHBondContact CA-OG1 3.45Å; S54-I137 WeakPolarHBondContact O-CD1 3.39Å | ||
| 55 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -135.1 | 158.6 | 170.2 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | M36 I38 W69 G105 T106 V122 I124 I137 | M36-V55 HydrophobicContact SD-CB 4.48Å; I38-V55 HydrophobicContact CG1-CG1 4.15Å; V55-W69 HydrophobicContact CG1-CH2 3.8Å; V55-W69 HydrophobicContact CG1-CZ2 3.86Å; V55-W69 HydrophobicContact CG2-CZ2 4.23Å; V55-G105 VanDerWaalsContact CG2-O 3.3Å; V55-G105 WeakPolarHBondContact CG2-O 3.43Å; V55-T106 PolarHBondContact N-OG1 2.84Å; V55-T106 VanDerWaalsContact N-OG1 3.09Å; V55-T106 PolarHBondContact O-OG1 3.35Å; V55-T106 VanDerWaalsContact O-OG1 3.09Å; V55-V122 HydrophobicContact CG1-CG1 3.93Å; V55-I124 HydrophobicContact CG2-CD1 4.31Å; V55-I137 HydrophobicContact CG1-CD1 4.03Å | ||
| 56 | R | 93.6 | Very high | 93.1 | Very high | 164 Ų | 164 | 61.5 Ų | 61.5 | 62% | 0.619 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132.6 | 169.2 | -58.5 | 178.8 | -179.2 | -173.8 | -1.5 | 108.3 | M36 T37 | M36-R56 CarbonylContact C-O 3.51Å; M36-R56 WeakPolarHBondContact CA-O 3.45Å; T37-R56 PolarHBondContact N-O 3.47Å; T37-R56 PolarHBondContact O-N 3.29Å; T37-R56 PolarHBondContact OG1-O 2.9Å |
| 57 | Y | 92.7 | Very high | 93.1 | Very high | 62 Ų | 62 | 60 Ų | 60 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 159.4 | 172.7 | 73.1 | -86.8 | 0 | 0 | 0 | 111.1 | V34 N35 P65 E103 N104 I124 I126 | V34-Y57 HydrophobicContact CG1-CD2 4.09Å; V34-Y57 HydrophobicContact CG1-CG 4.24Å; N35-Y57 CarbonylContact O-C 3.59Å; N35-Y57 WeakPolarHBondContact O-CA 3.38Å; Y57-P65 HydrophobicContact CE2-CB 4.5Å; Y57-P65 HydrophobicContact CE2-CG 4.5Å; Y57-P65 WeakPolarHBondContact OH-CG 3.43Å; Y57-E103 VanDerWaalsContact CE1-O 3.26Å; Y57-E103 WeakPolarHBondContact CE1-O 3.13Å; Y57-E103 PolarHBondContact OH-O 3.19Å; Y57-N104 VanDerWaalsContact CD1-O 3.26Å; Y57-N104 WeakPolarHBondContact CD1-O 3.31Å; Y57-I124 HydrophobicContact CD1-CD1 3.52Å; Y57-I124 HydrophobicContact CD1-CG2 4.26Å; Y57-I124 HydrophobicContact CD2-CG2 4.33Å; Y57-I124 HydrophobicContact CE1-CD1 4.27Å; Y57-I124 HydrophobicContact CG-CD1 4.01Å; Y57-I124 HydrophobicContact CG-CG2 4.18Å; Y57-I126 HydrophobicContact CD2-CD1 4.3Å; Y57-I126 HydrophobicContact CE2-CD1 4.04Å |
| 58 | S | 90.3 | Very high | 93 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 47% | 0.469 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.5 | 170.2 | 60.1 | 0 | 0 | 0 | 0 | 109.6 | N35 | N35-S58 PolarHBondContact N-O 2.86Å; N35-S58 PolarHBondContact O-N 3.4Å |
| 59 | S | 87.1 | Confident | 93 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | trans | -140.3 | 160.3 | 176 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | S61 D129 | S59-S61 PolarHBondContact OG-N 2.87Å; S59-S61 VanDerWaalsContact OG-N 3.11Å; S59-D129 VanDerWaalsContact CB-OD2 3.28Å; S59-D129 WeakPolarHBondContact CB-OD2 3.3Å; S59-D129 PolarHBondContact OG-OD2 3.3Å | ||
| 60 | F | 81.5 | Confident | 93 | Very high | 147 Ų | 147 | 58 Ų | 58 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -87.4 | -14.3 | 173.8 | -61.6 | -76.1 | 0 | 0 | 0 | 113 | E30 | E30-F60 HydrophobicContact CG-CE2 4.19Å; E30-F60 HydrophobicContact CG-CZ 4.46Å; E30-F60 WeakPolarHBondContact OE1-CZ 3.3Å |
| 61 | S | 83.2 | Confident | 93 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | trans | -79.6 | 151.8 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | S59 D63 D128 | S59-S61 PolarHBondContact OG-N 2.87Å; S59-S61 VanDerWaalsContact OG-N 3.11Å; S61-D63 PolarHBondContact OG-N 3.48Å; S61-D128 WeakPolarHBondContact CB-OD2 3.26Å; S61-D128 PolarHBondContact OG-OD2 2.86Å | ||
| 62 | L | 84.4 | Confident | 92.9 | Very high | 176 Ų | 176 | 57.7 Ų | 57.7 | 92% | 0.921 | 29% | 0.289 | S | S | * | . | trans | -96.2 | -3.7 | 174.5 | -64.8 | 175.6 | 0 | 0 | 0 | 112.6 | ||||
| 63 | D | 89.3 | Confident | 92.7 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -70.6 | 150.2 | -179.8 | -74 | -17.1 | 0 | 0 | 0 | 111.6 | S61 I126 T127 | S61-D63 PolarHBondContact OG-N 3.48Å; D63-I126 HydrophobicContact CB-CG2 3.95Å; D63-T127 WeakPolarHBondContact OD2-CB 3.25Å |
| 64 | L | 91.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 69.6 Ų | 69.6 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 133.7 | 177 | -70.4 | 173.1 | 0 | 0 | 0 | 110.1 | I83 | L64-I83 HydrophobicContact CB-CG2 3.62Å; L64-I83 HydrophobicContact CD1-CG2 3.98Å; L64-I83 HydrophobicContact CG-CG2 4.47Å |
| 65 | P | 94.1 | Very high | 92 | Very high | 6 Ų | 6 | 76.7 Ų | 76.7 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 144.2 | 179.1 | 33.4 | -39.9 | 0 | 0 | 0 | 111.1 | Y57 I67 I83 G84 I124 S125 I126 | Y57-P65 HydrophobicContact CE2-CB 4.5Å; Y57-P65 HydrophobicContact CE2-CG 4.5Å; Y57-P65 WeakPolarHBondContact OH-CG 3.43Å; P65-I67 HydrophobicContact CB-CG1 4.19Å; P65-I67 HydrophobicContact CG-CD1 3.95Å; P65-I67 HydrophobicContact CG-CG1 4.12Å; P65-I83 CarbonylContact O-C 3.51Å; P65-I83 WeakPolarHBondContact O-CA 3.13Å; P65-G84 PolarHBondContact O-N 2.65Å; P65-I124 HydrophobicContact CB-CG2 3.84Å; P65-S125 CarbonylContact C-O 3.59Å; P65-S125 WeakPolarHBondContact CA-O 3.27Å; P65-I126 HydrophobicContact CB-CD1 4.31Å; P65-I126 HydrophobicContact CB-CG1 3.8Å |
| 66 | V | 95 | Very high | 91.8 | Very high | 41 Ų | 41 | 79.2 Ų | 79.2 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.9 | 159.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | Q81 S82 I83 I124 S125 | V66-Q81 HydrophobicContact CG1-CG 4.39Å; V66-S82 CarbonylContact C-O 3.57Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.35Å; V66-I83 HydrophobicContact CG2-CG1 3.88Å; V66-I124 WeakPolarHBondContact O-CA 3.3Å; V66-S125 WeakPolarHBondContact CB-OG 3.33Å; V66-S125 PolarHBondContact N-O 2.92Å; V66-S125 PolarHBondContact O-N 3.49Å |
| 67 | I | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.7 | 178.9 | -61.8 | 154.4 | 0 | 0 | 0 | 108.4 | P65 Q81 S82 V101 I124 | P65-I67 HydrophobicContact CB-CG1 4.19Å; P65-I67 HydrophobicContact CG-CD1 3.95Å; P65-I67 HydrophobicContact CG-CG1 4.12Å; I67-Q81 CarbonylContact O-C 3.48Å; I67-Q81 WeakPolarHBondContact O-CA 3.34Å; I67-S82 PolarHBondContact N-O 3.48Å; I67-S82 PolarHBondContact O-N 2.87Å; I67-V101 HydrophobicContact CD1-CG1 4.11Å; I67-V101 HydrophobicContact CG2-CG1 4.38Å; I67-I124 HydrophobicContact CG1-CG1 4.3Å; I67-I124 HydrophobicContact CG1-CG2 4.35Å |
| 68 | K | 96.4 | Very high | 92 | Very high | 45 Ų | 45 | 72 Ų | 72 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.9 | -178.9 | 177.1 | 172.3 | 153.3 | -123.2 | 0 | 110.2 | Q70 V122 E123 | K68-Q70 HydrophobicContact CG-CG 4.12Å; K68-V122 WeakPolarHBondContact O-CA 3.43Å; K68-E123 HydrophobicContact CB-CB 4.4Å; K68-E123 PolarHBondContact N-O 2.93Å; K68-E123 IonicContact NZ-OE2 3.76Å; K68-E123 PolarHBondContact NZ-OE2 3.5Å; K68-E123 PolarHBondContact O-N 2.87Å |
| 69 | W | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132 | 175.4 | -76.7 | 92.2 | 0 | 0 | 0 | 110.3 | L53 V55 V79 V80 G105 L107 D121 V122 I137 | L53-W69 HydrophobicContact CB-CH2 3.69Å; L53-W69 HydrophobicContact CB-CZ2 4.23Å; L53-W69 HydrophobicContact CB-CZ3 4.02Å; L53-W69 HydrophobicContact CD1-CE3 4.27Å; L53-W69 HydrophobicContact CD1-CZ3 4.01Å; V55-W69 HydrophobicContact CG1-CH2 3.8Å; V55-W69 HydrophobicContact CG1-CZ2 3.86Å; V55-W69 HydrophobicContact CG2-CZ2 4.23Å; W69-V79 HydrophobicContact CB-CB 4.24Å; W69-V79 PolarHBondContact O-N 3.22Å; W69-V80 HydrophobicContact CB-CG1 3.82Å; W69-V80 HydrophobicContact CG-CG1 4.19Å; W69-V80 PolarHBondContact N-O 3.28Å; W69-V80 PolarHBondContact O-N 3.42Å; W69-G105 PolarHBondContact NE1-O 2.95Å; W69-L107 HydrophobicContact CB-CD2 3.88Å; W69-L107 HydrophobicContact CD2-CB 4.03Å; W69-L107 HydrophobicContact CD2-CD2 3.88Å; W69-L107 HydrophobicContact CE3-CD2 4.38Å; W69-L107 HydrophobicContact CG-CB 4.22Å; W69-L107 HydrophobicContact CG-CD2 3.66Å; W69-L107 HydrophobicContact CZ2-CB 4.04Å; W69-D121 CarbonylContact C-O 3.54Å; W69-D121 WeakPolarHBondContact CA-O 3.27Å; W69-V122 HydrophobicContact CD2-CB 3.81Å; W69-V122 HydrophobicContact CD2-CG2 3.88Å; W69-V122 VanDerWaalsContact CE2-CG2 3.46Å; W69-V122 HydrophobicContact CE3-CB 3.73Å; W69-V122 HydrophobicContact CE3-CG2 4.32Å; W69-V122 HydrophobicContact CG-CG2 4.41Å; W69-V122 HydrophobicContact CH2-CB 3.67Å; W69-V122 HydrophobicContact CH2-CG1 3.93Å; W69-V122 HydrophobicContact CH2-CG2 4.08Å; W69-V122 HydrophobicContact CZ2-CB 3.73Å; W69-V122 HydrophobicContact CZ2-CG1 4.25Å; W69-V122 HydrophobicContact CZ2-CG2 3.59Å; W69-V122 HydrophobicContact CZ3-CB 3.67Å; W69-V122 HydrophobicContact CZ3-CG1 4.17Å; W69-V122 HydrophobicContact CZ3-CG2 4.43Å; W69-I137 HydrophobicContact CH2-CD1 3.88Å; W69-I137 HydrophobicContact CH2-CG1 4.48Å; W69-I137 HydrophobicContact CZ3-CD1 4.43Å |
| 70 | Q | 97.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.5 | 179.8 | -56.8 | -165.3 | -62.4 | 0 | 0 | 111.1 | K68 V77 T78 Y120 D121 | K68-Q70 HydrophobicContact CG-CG 4.12Å; Q70-V77 CarbonylContact C-O 3.58Å; Q70-V77 WeakPolarHBondContact CA-O 2.95Å; Q70-T78 PolarHBondContact NE2-OG1 2.82Å; Q70-Y120 CarbonylContact O-C 3.57Å; Q70-Y120 VanDerWaalsContact O-CA 3.29Å; Q70-Y120 WeakPolarHBondContact O-CA 3.49Å; Q70-D121 PolarHBondContact N-O 3.36Å; Q70-D121 PolarHBondContact O-N 2.95Å |
| 71 | L | 97.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.7 | 171.2 | 176.4 | 58.7 | 0 | 0 | 0 | 109.1 | R73 V77 V79 Y95 T119 Y120 | L71-R73 HydrophobicContact CG-CG 4.16Å; L71-R73 PolarHBondContact O-N 3.47Å; L71-V77 HydrophobicContact CB-CB 4.29Å; L71-V77 PolarHBondContact N-O 3.38Å; L71-V77 PolarHBondContact O-N 2.86Å; L71-V79 HydrophobicContact CB-CG2 3.87Å; L71-Y95 WeakPolarHBondContact CD2-OH 3.44Å; L71-T119 WeakPolarHBondContact CD1-O 3.48Å; L71-Y120 HydrophobicContact CB-CD1 4.3Å; L71-Y120 HydrophobicContact CB-CE1 4.08Å; L71-Y120 HydrophobicContact CD1-CD1 4.46Å; L71-Y120 HydrophobicContact CD1-CD2 3.97Å; L71-Y120 HydrophobicContact CD1-CE1 4.19Å; L71-Y120 HydrophobicContact CD1-CE2 3.64Å; L71-Y120 HydrophobicContact CD1-CG 4.35Å |
| 72 | Q | 95.8 | Very high | 94.2 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | trans | -67.9 | 114.7 | 178.2 | -162.5 | -179.3 | 21.3 | 0 | 0 | 109.9 | T119 | Q72-T119 VanDerWaalsContact CB-O 3.24Å; Q72-T119 WeakPolarHBondContact CB-O 3.43Å; Q72-T119 PolarHBondContact N-O 3.45Å | ||
| 73 | R | 93.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 43% | 0.434 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -141.2 | 177.9 | 176.3 | -64.4 | -66.2 | -171.3 | -152.3 | -0.9 | 107.9 | L71 K75 V77 S115 D117 | L71-R73 HydrophobicContact CG-CG 4.16Å; L71-R73 PolarHBondContact O-N 3.47Å; R73-K75 WeakPolarHBondContact CB-O 3.25Å; R73-K75 PolarHBondContact O-N 3.23Å; R73-K75 VanDerWaalsContact O-N 3.15Å; R73-V77 HydrophobicContact CB-CG2 4.37Å; R73-V77 HydrophobicContact CG-CG2 4.01Å; R73-S115 PolarHBondContact NH2-O 2.79Å; R73-D117 PolarHBondContact NH1-O 3.1Å; R73-D117 VanDerWaalsContact NH1-O 3.17Å; R73-D117 PolarHBondContact NH2-O 3.44Å |
| 74 | E | 90.1 | Very high | 94.9 | Very high | 215 Ų | 215 | 54.9 Ų | 54.9 | 100% | 1.005 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -51 | -38.9 | 172.1 | -67.2 | -175.8 | 176.1 | 0 | 0 | 112 | ||
| 75 | K | 90.3 | Very high | 95 | Very high | 177 Ų | 177 | 52.6 Ų | 52.6 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -119.4 | 115.1 | 165.5 | -175.4 | 176.4 | -177.6 | 176.8 | 0 | 108.5 | R73 V77 | R73-K75 WeakPolarHBondContact CB-O 3.25Å; R73-K75 PolarHBondContact O-N 3.23Å; R73-K75 VanDerWaalsContact O-N 3.15Å; K75-V77 PolarHBondContact O-N 2.91Å |
| 76 | A | 90.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | trans | -50.1 | 126.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 77 | V | 94.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113 | -178.9 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | Q70 L71 R73 K75 V79 Y95 | Q70-V77 CarbonylContact C-O 3.58Å; Q70-V77 WeakPolarHBondContact CA-O 2.95Å; L71-V77 HydrophobicContact CB-CB 4.29Å; L71-V77 PolarHBondContact N-O 3.38Å; L71-V77 PolarHBondContact O-N 2.86Å; R73-V77 HydrophobicContact CB-CG2 4.37Å; R73-V77 HydrophobicContact CG-CG2 4.01Å; K75-V77 PolarHBondContact O-N 2.91Å; V77-V79 PolarHBondContact O-N 2.83Å; V77-Y95 HydrophobicContact CG1-CE2 4.17Å |
| 78 | T | 95.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.5 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | Q70 | Q70-T78 PolarHBondContact NE2-OG1 2.82Å |
| 79 | V | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -49.8 | -179.1 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | W69 L71 V77 L91 Y95 I99 L107 Y120 | W69-V79 HydrophobicContact CB-CB 4.24Å; W69-V79 PolarHBondContact O-N 3.22Å; L71-V79 HydrophobicContact CB-CG2 3.87Å; V77-V79 PolarHBondContact O-N 2.83Å; V79-L91 WeakPolarHBondContact O-CD2 3.04Å; V79-Y95 HydrophobicContact CB-CD2 4.48Å; V79-Y95 HydrophobicContact CB-CE2 4.32Å; V79-Y95 HydrophobicContact CG1-CD1 3.95Å; V79-Y95 HydrophobicContact CG1-CD2 4.14Å; V79-Y95 HydrophobicContact CG1-CE1 4.02Å; V79-Y95 HydrophobicContact CG1-CE2 4.22Å; V79-Y95 HydrophobicContact CG1-CG 4.02Å; V79-Y95 HydrophobicContact CG2-CE2 4.05Å; V79-I99 HydrophobicContact CG1-CG2 4.45Å; V79-L107 HydrophobicContact CG1-CD2 3.98Å; V79-Y120 HydrophobicContact CG1-CE1 4.5Å; V79-Y120 HydrophobicContact CG2-CD1 3.96Å; V79-Y120 HydrophobicContact CG2-CE1 3.73Å |
| 80 | V | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 149.7 | 176 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | W69 I87 L91 I99 V101 L107 | W69-V80 HydrophobicContact CB-CG1 3.82Å; W69-V80 HydrophobicContact CG-CG1 4.19Å; W69-V80 PolarHBondContact N-O 3.28Å; W69-V80 PolarHBondContact O-N 3.42Å; V80-I87 HydrophobicContact CG2-CD1 4.25Å; V80-I87 HydrophobicContact CG2-CG1 4.04Å; V80-I87 HydrophobicContact CG2-CG2 4.08Å; V80-L91 HydrophobicContact CB-CD2 4.19Å; V80-L91 HydrophobicContact CG2-CD2 4.16Å; V80-I99 HydrophobicContact CB-CD1 3.54Å; V80-I99 HydrophobicContact CG1-CD1 4.29Å; V80-I99 HydrophobicContact CG2-CD1 3.66Å; V80-V101 HydrophobicContact CB-CG2 4.5Å; V80-V101 HydrophobicContact CG1-CG2 3.88Å; V80-V101 HydrophobicContact CG2-CG2 3.86Å; V80-L107 HydrophobicContact CG1-CD1 4.09Å; V80-L107 HydrophobicContact CG1-CD2 4.28Å |
| 81 | Q | 96.6 | Very high | 94.2 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.3 | 165 | -173.7 | 172.1 | 17.9 | 0 | 0 | 108 | V66 I67 I88 | V66-Q81 HydrophobicContact CG1-CG 4.39Å; I67-Q81 CarbonylContact O-C 3.48Å; I67-Q81 WeakPolarHBondContact O-CA 3.34Å; Q81-I88 PolarHBondContact O-N 2.83Å |
| 82 | S | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.9 | -179.6 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | V66 I67 G84 D86 | V66-S82 CarbonylContact C-O 3.57Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.35Å; I67-S82 PolarHBondContact N-O 3.48Å; I67-S82 PolarHBondContact O-N 2.87Å; S82-G84 WeakPolarHBondContact CB-O 3.4Å; S82-G84 PolarHBondContact OG-O 2.94Å; S82-D86 CarbonylContact C-O 3.48Å; S82-D86 WeakPolarHBondContact CA-O 3.33Å; S82-D86 WeakPolarHBondContact CB-O 3.3Å |
| 83 | I | 95.7 | Very high | 94 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 36% | 0.359 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.1 | 161.7 | -75.9 | 161.5 | 0 | 0 | 0 | 106.2 | L64 P65 V66 T85 D86 I88 | L64-I83 HydrophobicContact CB-CG2 3.62Å; L64-I83 HydrophobicContact CD1-CG2 3.98Å; L64-I83 HydrophobicContact CG-CG2 4.47Å; P65-I83 CarbonylContact O-C 3.51Å; P65-I83 WeakPolarHBondContact O-CA 3.13Å; V66-I83 HydrophobicContact CG2-CG1 3.88Å; I83-T85 PolarHBondContact O-N 2.82Å; I83-D86 PolarHBondContact N-O 3.37Å; I83-D86 PolarHBondContact O-N 2.9Å; I83-I88 HydrophobicContact CB-CD1 3.71Å; I83-I88 HydrophobicContact CD1-CD1 3.29Å; I83-I88 HydrophobicContact CG1-CD1 3.25Å |
| 84 | G | 92.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 73.4 Ų | 73.4 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -123.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 110 | P65 S82 | P65-G84 PolarHBondContact O-N 2.65Å; S82-G84 WeakPolarHBondContact CB-O 3.4Å; S82-G84 PolarHBondContact OG-O 2.94Å |
| 85 | T | 93.8 | Very high | 94.4 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -7.6 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | I83 I87 V101 E103 | I83-T85 PolarHBondContact O-N 2.82Å; T85-I87 PolarHBondContact O-N 3.45Å; T85-V101 WeakPolarHBondContact CG2-O 3.39Å; T85-E103 HydrophobicContact CG2-CB 4.49Å; T85-E103 HydrophobicContact CG2-CG 3.73Å |
| 86 | D | 95.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.4 | -177.3 | -68.8 | -38 | 0 | 0 | 0 | 110.8 | S82 I83 | S82-D86 CarbonylContact C-O 3.48Å; S82-D86 WeakPolarHBondContact CA-O 3.33Å; S82-D86 WeakPolarHBondContact CB-O 3.3Å; I83-D86 PolarHBondContact N-O 3.37Å; I83-D86 PolarHBondContact O-N 2.9Å |
| 87 | I | 95.7 | Very high | 94.8 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.8 | -178.5 | -59 | 177.7 | 0 | 0 | 0 | 110.6 | V80 T85 L91 I99 | V80-I87 HydrophobicContact CG2-CD1 4.25Å; V80-I87 HydrophobicContact CG2-CG1 4.04Å; V80-I87 HydrophobicContact CG2-CG2 4.08Å; T85-I87 PolarHBondContact O-N 3.45Å; I87-L91 HydrophobicContact CD1-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CD1 4.06Å; I87-L91 HydrophobicContact CG2-CD2 3.95Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; I87-I99 HydrophobicContact CD1-CD1 4.06Å; I87-I99 HydrophobicContact CD1-CG1 4.43Å |
| 88 | I | 93.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | trans | -115 | 141.3 | -176.5 | -60.2 | 163 | 0 | 0 | 0 | 110.5 | Q81 I83 | Q81-I88 PolarHBondContact O-N 2.83Å; I83-I88 HydrophobicContact CB-CD1 3.71Å; I83-I88 HydrophobicContact CD1-CD1 3.29Å; I83-I88 HydrophobicContact CG1-CD1 3.25Å | ||
| 89 | G | 90.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 77.1 | -164.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 90 | T | 90.9 | Very high | 94.9 | Very high | 146 Ų | 146 | 65.3 Ų | 65.3 | 90% | 0.896 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 116.7 | -178.6 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 91 | L | 94.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.8 | 172.1 | -72.5 | 172.6 | 0 | 0 | 0 | 111 | V79 V80 I87 I99 | V79-L91 WeakPolarHBondContact O-CD2 3.04Å; V80-L91 HydrophobicContact CB-CD2 4.19Å; V80-L91 HydrophobicContact CG2-CD2 4.16Å; I87-L91 HydrophobicContact CD1-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CD1 4.06Å; I87-L91 HydrophobicContact CG2-CD2 3.95Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; L91-I99 HydrophobicContact CD1-CD1 3.82Å; L91-I99 HydrophobicContact CD1-CG1 4.24Å; L91-I99 HydrophobicContact CD2-CD1 3.64Å; L91-I99 HydrophobicContact CG-CD1 4.4Å |
| 92 | R | 94.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 65.4 Ų | 65.4 | 41% | 0.408 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -67 | 142 | 172.2 | -67.1 | 175.5 | 172.7 | -95.9 | -4.6 | 109.4 | E94 Y95 Q96 | R92-E94 HydrophobicContact CB-CG 3.91Å; R92-E94 PolarHBondContact O-N 3.47Å; R92-Y95 HydrophobicContact CB-CD2 4.14Å; R92-Y95 PolarHBondContact O-N 2.84Å; R92-Q96 PolarHBondContact O-N 3.06Å; R92-Q96 VanDerWaalsContact O-N 3.14Å |
| 93 | P | 94.8 | Very high | 94.7 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 79% | 0.786 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.7 | 178.8 | -27 | 34.4 | 0 | 0 | 0 | 113.8 | Y95 | P93-Y95 VanDerWaalsContact C-N 3.34Å; P93-Y95 PolarHBondContact O-N 3.28Å |
| 94 | E | 94.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 72.4 Ų | 72.4 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.4 | 177.6 | 67.5 | -153 | -146.5 | 0 | 0 | 114 | R92 R98 | R92-E94 HydrophobicContact CB-CG 3.91Å; R92-E94 PolarHBondContact O-N 3.47Å; E94-R98 PolarHBondContact O-NE 3.47Å; E94-R98 PolarHBondContact O-NH2 3.16Å |
| 95 | Y | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -8.9 | 179.4 | -62.3 | -64 | 0 | 0 | 0 | 113.6 | L71 V77 V79 R92 P93 D97 R98 I99 L109 | L71-Y95 WeakPolarHBondContact CD2-OH 3.44Å; V77-Y95 HydrophobicContact CG1-CE2 4.17Å; V79-Y95 HydrophobicContact CB-CD2 4.48Å; V79-Y95 HydrophobicContact CB-CE2 4.32Å; V79-Y95 HydrophobicContact CG1-CD1 3.95Å; V79-Y95 HydrophobicContact CG1-CD2 4.14Å; V79-Y95 HydrophobicContact CG1-CE1 4.02Å; V79-Y95 HydrophobicContact CG1-CE2 4.22Å; V79-Y95 HydrophobicContact CG1-CG 4.02Å; V79-Y95 HydrophobicContact CG2-CE2 4.05Å; R92-Y95 HydrophobicContact CB-CD2 4.14Å; R92-Y95 PolarHBondContact O-N 2.84Å; P93-Y95 VanDerWaalsContact C-N 3.34Å; P93-Y95 PolarHBondContact O-N 3.28Å; Y95-D97 PolarHBondContact O-N 3.38Å; Y95-R98 PolarHBondContact O-N 3.2Å; Y95-R98 VanDerWaalsContact O-N 3.1Å; Y95-I99 HydrophobicContact CD1-CG2 4.43Å; Y95-L109 HydrophobicContact CD1-CD1 4Å; Y95-L109 HydrophobicContact CE1-CD1 4.43Å |
| 96 | Q | 94.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 129.7 | 177 | -168.5 | 66.6 | 36.4 | 0 | 0 | 110.8 | R92 R98 | R92-Q96 PolarHBondContact O-N 3.06Å; R92-Q96 VanDerWaalsContact O-N 3.14Å; Q96-R98 PolarHBondContact O-N 3.45Å |
| 97 | D | 94.2 | Very high | 95 | Very high | 147 Ų | 147 | 64 Ų | 64 | 79% | 0.786 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 15 | 179.2 | -45.1 | -34.5 | 0 | 0 | 0 | 115.2 | Y95 | Y95-D97 PolarHBondContact O-N 3.38Š|
| 98 | R | 97 | Very high | 95.1 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -8.6 | 177.4 | -60.8 | -159.8 | -58.4 | 134.9 | 2.8 | 113.9 | E94 Y95 Q96 L109 H110 N111 D116 | E94-R98 PolarHBondContact O-NE 3.47Å; E94-R98 PolarHBondContact O-NH2 3.16Å; Y95-R98 PolarHBondContact O-N 3.2Å; Y95-R98 VanDerWaalsContact O-N 3.1Å; Q96-R98 PolarHBondContact O-N 3.45Å; R98-L109 HydrophobicContact CB-CD1 4.11Å; R98-L109 CarbonylContact O-C 3.56Å; R98-L109 WeakPolarHBondContact O-CA 3.38Å; R98-H110 PolarHBondContact NH1-O 3.35Å; R98-H110 PolarHBondContact O-N 2.94Å; R98-N111 PolarHBondContact NH1-O 2.78Å; R98-D116 IonicContact CZ-OD1 2.86Å; R98-D116 IonicContact CZ-OD2 3.69Å; R98-D116 IonicContact NH1-OD1 3.82Å; R98-D116 IonicContact NH1-OD2 3.59Å; R98-D116 PolarHBondContact NH1-OD2 3.42Å; R98-D116 IonicContact NH2-OD1 2.75Å; R98-D116 PolarHBondContact NH2-OD1 3.01Å; R98-D116 IonicContact NH2-OD2 3.94Å; R98-D116 PolarHBondContact NH2-OD2 2.99Å |
| 99 | I | 97.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 147.5 | -172.9 | 57.9 | 162.5 | 0 | 0 | 0 | 112.2 | V79 V80 I87 L91 Y95 L107 L108 L109 | V79-I99 HydrophobicContact CG1-CG2 4.45Å; V80-I99 HydrophobicContact CB-CD1 3.54Å; V80-I99 HydrophobicContact CG1-CD1 4.29Å; V80-I99 HydrophobicContact CG2-CD1 3.66Å; I87-I99 HydrophobicContact CD1-CD1 4.06Å; I87-I99 HydrophobicContact CD1-CG1 4.43Å; L91-I99 HydrophobicContact CD1-CD1 3.82Å; L91-I99 HydrophobicContact CD1-CG1 4.24Å; L91-I99 HydrophobicContact CD2-CD1 3.64Å; L91-I99 HydrophobicContact CG-CD1 4.4Å; Y95-I99 HydrophobicContact CD1-CG2 4.43Å; I99-L107 HydrophobicContact CB-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CD1 4.1Å; I99-L108 CarbonylContact C-O 3.57Å; I99-L108 VanDerWaalsContact CA-O 3.3Å; I99-L108 WeakPolarHBondContact CA-O 3.24Å; I99-L109 HydrophobicContact CG2-CD1 3.59Å |
| 100 | L | 96.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 125.9 | 170 | -179.7 | 68.6 | 0 | 0 | 0 | 108.9 | F102 L108 | L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CE2 4.38Å; L100-F102 HydrophobicContact CD2-CZ 3.75Å; L100-F102 HydrophobicContact CG-CZ 4.39Å; L100-L108 HydrophobicContact CB-CB 4.25Å; L100-L108 HydrophobicContact CD2-CD2 4.28Å; L100-L108 PolarHBondContact N-O 3.34Å; L100-L108 PolarHBondContact O-N 3.06Å |
| 101 | V | 97 | Very high | 96 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.6 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | I67 V80 T85 L107 | I67-V101 HydrophobicContact CD1-CG1 4.11Å; I67-V101 HydrophobicContact CG2-CG1 4.38Å; V80-V101 HydrophobicContact CB-CG2 4.5Å; V80-V101 HydrophobicContact CG1-CG2 3.88Å; V80-V101 HydrophobicContact CG2-CG2 3.86Å; T85-V101 WeakPolarHBondContact CG2-O 3.39Å; V101-L107 HydrophobicContact CG2-CD1 4.18Å |
| 102 | F | 96.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | trans | -96.1 | 157.5 | 175.9 | -64.9 | -82.5 | 0 | 0 | 0 | 111.6 | L52 L100 N104 G105 T106 L108 | L52-F102 HydrophobicContact CD1-CD2 4.49Å; L52-F102 HydrophobicContact CD1-CE2 3.81Å; L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CE2 4.38Å; L100-F102 HydrophobicContact CD2-CZ 3.75Å; L100-F102 HydrophobicContact CG-CZ 4.39Å; F102-N104 VanDerWaalsContact CB-OD1 3.29Å; F102-N104 WeakPolarHBondContact CB-OD1 3.31Å; F102-N104 PolarHBondContact O-N 2.71Å; F102-N104 VanDerWaalsContact O-N 3.08Å; F102-G105 PolarHBondContact O-N 3.02Å; F102-T106 HydrophobicContact CD2-CG2 3.77Å; F102-T106 WeakPolarHBondContact CD2-O 3.33Å; F102-T106 HydrophobicContact CE2-CG2 4.25Å; F102-T106 PolarHBondContact N-O 3.23Å; F102-L108 HydrophobicContact CE2-CB 3.78Å; F102-L108 HydrophobicContact CE2-CD2 4.44Å; F102-L108 HydrophobicContact CZ-CB 4.42Å; F102-L108 HydrophobicContact CZ-CD2 4.29Å | ||
| 103 | E | 93 | Very high | 96.3 | Very high | 151 Ų | 151 | 53.6 Ų | 53.6 | 71% | 0.706 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.6 | 179.2 | -65 | -179 | 172.1 | 0 | 0 | 113.6 | Y57 T85 G105 | Y57-E103 VanDerWaalsContact CE1-O 3.26Å; Y57-E103 WeakPolarHBondContact CE1-O 3.13Å; Y57-E103 PolarHBondContact OH-O 3.19Å; T85-E103 HydrophobicContact CG2-CB 4.49Å; T85-E103 HydrophobicContact CG2-CG 3.73Å; E103-G105 VanDerWaalsContact C-N 3.25Å; E103-G105 PolarHBondContact O-N 2.92Å |
| 104 | N | 93.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 52 Ų | 52 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 5.8 | 177.9 | 70.5 | -4.3 | 0 | 0 | 0 | 114.1 | Y57 F102 T106 | Y57-N104 VanDerWaalsContact CD1-O 3.26Å; Y57-N104 WeakPolarHBondContact CD1-O 3.31Å; F102-N104 VanDerWaalsContact CB-OD1 3.29Å; F102-N104 WeakPolarHBondContact CB-OD1 3.31Å; F102-N104 PolarHBondContact O-N 2.71Å; F102-N104 VanDerWaalsContact O-N 3.08Å; N104-T106 VanDerWaalsContact C-N 3.35Å; N104-T106 PolarHBondContact ND2-OG1 2.8Å; N104-T106 WeakPolarHBondContact OD1-CB 3.29Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 2.98Å |
| 105 | G | 93.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 89.3 | -8.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | V55 W69 F102 E103 | V55-G105 VanDerWaalsContact CG2-O 3.3Å; V55-G105 WeakPolarHBondContact CG2-O 3.43Å; W69-G105 PolarHBondContact NE1-O 2.95Å; F102-G105 PolarHBondContact O-N 3.02Å; E103-G105 VanDerWaalsContact C-N 3.25Å; E103-G105 PolarHBondContact O-N 2.92Å |
| 106 | T | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -64.2 | 140.3 | -178.7 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | L52 L53 S54 V55 F102 N104 | L52-T106 HydrophobicContact CD1-CG2 3.39Å; L52-T106 HydrophobicContact CD2-CG2 4.39Å; L52-T106 HydrophobicContact CG-CG2 3.69Å; L53-T106 WeakPolarHBondContact O-CA 3.35Å; L53-T106 WeakPolarHBondContact O-CG2 3.27Å; S54-T106 WeakPolarHBondContact CA-OG1 3.45Å; V55-T106 PolarHBondContact N-OG1 2.84Å; V55-T106 VanDerWaalsContact N-OG1 3.09Å; V55-T106 PolarHBondContact O-OG1 3.35Å; V55-T106 VanDerWaalsContact O-OG1 3.09Å; F102-T106 HydrophobicContact CD2-CG2 3.77Å; F102-T106 WeakPolarHBondContact CD2-O 3.33Å; F102-T106 HydrophobicContact CE2-CG2 4.25Å; F102-T106 PolarHBondContact N-O 3.23Å; N104-T106 VanDerWaalsContact C-N 3.35Å; N104-T106 PolarHBondContact ND2-OG1 2.8Å; N104-T106 WeakPolarHBondContact OD1-CB 3.29Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 2.98Å | ||
| 107 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.4 | 174.6 | 174 | 62.4 | 0 | 0 | 0 | 110.1 | L53 W69 V79 V80 I99 V101 | L53-L107 HydrophobicContact CB-CB 4.3Å; L53-L107 HydrophobicContact CD1-CD2 4.16Å; L53-L107 PolarHBondContact N-O 2.85Å; L53-L107 PolarHBondContact O-N 2.91Å; L53-L107 VanDerWaalsContact O-N 3.16Å; W69-L107 HydrophobicContact CB-CD2 3.88Å; W69-L107 HydrophobicContact CD2-CB 4.03Å; W69-L107 HydrophobicContact CD2-CD2 3.88Å; W69-L107 HydrophobicContact CE3-CD2 4.38Å; W69-L107 HydrophobicContact CG-CB 4.22Å; W69-L107 HydrophobicContact CG-CD2 3.66Å; W69-L107 HydrophobicContact CZ2-CB 4.04Å; V79-L107 HydrophobicContact CG1-CD2 3.98Å; V80-L107 HydrophobicContact CG1-CD1 4.09Å; V80-L107 HydrophobicContact CG1-CD2 4.28Å; I99-L107 HydrophobicContact CB-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CD1 4.1Å; V101-L107 HydrophobicContact CG2-CD1 4.18Å |
| 108 | L | 98 | Very high | 96.7 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.9 | 167 | 173.6 | 63.9 | 0 | 0 | 0 | 109.2 | E50 L52 I99 L100 F102 H110 | E50-L108 HydrophobicContact CB-CD1 4.14Å; L52-L108 HydrophobicContact CD1-CB 3.87Å; L52-L108 HydrophobicContact CD1-CD1 4.12Å; I99-L108 CarbonylContact C-O 3.57Å; I99-L108 VanDerWaalsContact CA-O 3.3Å; I99-L108 WeakPolarHBondContact CA-O 3.24Å; L100-L108 HydrophobicContact CB-CB 4.25Å; L100-L108 HydrophobicContact CD2-CD2 4.28Å; L100-L108 PolarHBondContact N-O 3.34Å; L100-L108 PolarHBondContact O-N 3.06Å; F102-L108 HydrophobicContact CE2-CB 3.78Å; F102-L108 HydrophobicContact CE2-CD2 4.44Å; F102-L108 HydrophobicContact CZ-CB 4.42Å; F102-L108 HydrophobicContact CZ-CD2 4.29Å; L108-H110 VanDerWaalsContact CD2-CE1 3.44Å; L108-H110 WeakPolarHBondContact CD2-CE1 3.16Å; L108-H110 VanDerWaalsContact CD2-NE2 3.26Å; L108-H110 WeakPolarHBondContact CD2-NE2 3.24Å |
| 109 | L | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.1 | 176.4 | -179.2 | 65.2 | 0 | 0 | 0 | 109.5 | E50 A51 Y95 R98 I99 L112 D116 L139 | E50-L109 CarbonylContact C-O 3.53Å; E50-L109 VanDerWaalsContact CA-O 3.28Å; E50-L109 WeakPolarHBondContact CA-O 3.28Å; A51-L109 PolarHBondContact N-O 3.35Å; A51-L109 PolarHBondContact O-N 3.08Å; Y95-L109 HydrophobicContact CD1-CD1 4Å; Y95-L109 HydrophobicContact CE1-CD1 4.43Å; R98-L109 HydrophobicContact CB-CD1 4.11Å; R98-L109 CarbonylContact O-C 3.56Å; R98-L109 WeakPolarHBondContact O-CA 3.38Å; I99-L109 HydrophobicContact CG2-CD1 3.59Å; L109-L112 HydrophobicContact CB-CD2 4.26Å; L109-L112 HydrophobicContact CD2-CD2 3.66Å; L109-L112 HydrophobicContact CG-CD2 3.82Å; L109-D116 HydrophobicContact CD2-CB 3.94Å; L109-L139 HydrophobicContact CD2-CD2 4.36Å |
| 110 | H | 98.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.269 | 22% | 0.219 | S | C | . | . | trans | -88.2 | 159.9 | 177.8 | -65.1 | -76.8 | 0 | 0 | 0 | 112.5 | E50 R98 L108 L112 | E50-H110 VanDerWaalsContact CD-CE1 3.44Å; E50-H110 WeakPolarHBondContact CG-ND1 3.49Å; E50-H110 IonicContact OE1-CE1 3.69Å; E50-H110 PolarHBondContact OE1-CE1 3.35Å; E50-H110 IonicContact OE1-CG 3.51Å; E50-H110 IonicContact OE1-ND1 3.57Å; E50-H110 PolarHBondContact OE1-ND1 3.18Å; E50-H110 IonicContact OE2-CE1 2.7Å; E50-H110 IonicContact OE2-ND1 2.93Å; R98-H110 PolarHBondContact NH1-O 3.35Å; R98-H110 PolarHBondContact O-N 2.94Å; L108-H110 VanDerWaalsContact CD2-CE1 3.44Å; L108-H110 WeakPolarHBondContact CD2-CE1 3.16Å; L108-H110 VanDerWaalsContact CD2-NE2 3.26Å; L108-H110 WeakPolarHBondContact CD2-NE2 3.24Å; H110-L112 PolarHBondContact O-N 3.15Å | ||
| 111 | N | 97.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 48.4 | 59.7 | 174.9 | -174.1 | 21.4 | 0 | 0 | 0 | 111.5 | G49 R98 | G49-N111 WeakPolarHBondContact O-CA 3.42Å; G49-N111 PolarHBondContact O-N 3.47Å; R98-N111 PolarHBondContact NH1-O 2.78Å |
| 112 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -56.8 | 140.2 | -175.7 | -68.6 | 175.6 | 0 | 0 | 0 | 112.3 | V47 G48 G49 A51 L109 H110 L139 V141 | V47-L112 WeakPolarHBondContact CA-O 3.41Å; G48-L112 PolarHBondContact N-O 2.81Å; G49-L112 WeakPolarHBondContact O-CG 3.35Å; G49-L112 PolarHBondContact O-N 2.86Å; A51-L112 HydrophobicContact CB-CD1 3.89Å; A51-L112 HydrophobicContact CB-CD2 3.91Å; A51-L112 HydrophobicContact CB-CG 4.42Å; L109-L112 HydrophobicContact CB-CD2 4.26Å; L109-L112 HydrophobicContact CD2-CD2 3.66Å; L109-L112 HydrophobicContact CG-CD2 3.82Å; H110-L112 PolarHBondContact O-N 3.15Å; L112-L139 HydrophobicContact CD2-CD2 4.07Å; L112-V141 HydrophobicContact CB-CG1 4.07Å | ||
| 113 | R | 97.1 | Very high | 96.8 | Very high | 108 Ų | 108 | 40 Ų | 40 | 41% | 0.408 | 21% | 0.206 | S | C | . | . | trans | -119.3 | 156.7 | 176.5 | -59.9 | 175.9 | -177.2 | 179.5 | 1.8 | 109.5 | S115 D116 | R113-S115 PolarHBondContact O-N 2.86Å; R113-S115 VanDerWaalsContact O-N 3.15Å; R113-D116 PolarHBondContact N-OD2 2.03Å; R113-D116 VanDerWaalsContact O-CB 3.32Å; R113-D116 WeakPolarHBondContact O-CB 3.38Å; R113-D116 PolarHBondContact O-N 2.83Å | ||
| 114 | L | 96.2 | Very high | 96.9 | Very high | 86 Ų | 86 | 32.9 Ų | 32.9 | 45% | 0.45 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -58.9 | -27.8 | 174.9 | -64.5 | 177.8 | 0 | 0 | 0 | 112.6 | V47 D116 D117 V141 T174 | V47-L114 HydrophobicContact CG2-CD2 3.56Å; V47-L114 HydrophobicContact CG2-CG 3.89Å; L114-D116 PolarHBondContact O-N 2.81Å; L114-D117 VanDerWaalsContact O-CB 3.32Å; L114-D117 WeakPolarHBondContact O-CB 3.42Å; L114-D117 PolarHBondContact O-N 2.98Å; L114-V141 HydrophobicContact CD2-CG1 4.45Å; L114-T174 HydrophobicContact CD1-CG2 4.2Å; L114-T174 HydrophobicContact CD2-CG2 3.81Å |
| 115 | S | 95.5 | Very high | 96.9 | Very high | 71 Ų | 71 | 31.5 Ų | 31.5 | 50% | 0.497 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -69.5 | -16.9 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | R73 R113 D117 | R73-S115 PolarHBondContact NH2-O 2.79Å; R113-S115 PolarHBondContact O-N 2.86Å; R113-S115 VanDerWaalsContact O-N 3.15Å; S115-D117 VanDerWaalsContact C-N 3.27Å |
| 116 | D | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -82 | -7.8 | 177.8 | -56.3 | -35.1 | 0 | 0 | 0 | 111.6 | R98 L109 R113 L114 G118 Y120 V141 | R98-D116 IonicContact CZ-OD1 2.86Å; R98-D116 IonicContact CZ-OD2 3.69Å; R98-D116 IonicContact NH1-OD1 3.82Å; R98-D116 IonicContact NH1-OD2 3.59Å; R98-D116 PolarHBondContact NH1-OD2 3.42Å; R98-D116 IonicContact NH2-OD1 2.75Å; R98-D116 PolarHBondContact NH2-OD1 3.01Å; R98-D116 IonicContact NH2-OD2 3.94Å; R98-D116 PolarHBondContact NH2-OD2 2.99Å; L109-D116 HydrophobicContact CD2-CB 3.94Å; R113-D116 PolarHBondContact N-OD2 2.03Å; R113-D116 VanDerWaalsContact O-CB 3.32Å; R113-D116 WeakPolarHBondContact O-CB 3.38Å; R113-D116 PolarHBondContact O-N 2.83Å; L114-D116 PolarHBondContact O-N 2.81Å; D116-G118 PolarHBondContact O-N 3.46Å; D116-Y120 VanDerWaalsContact O-CE2 3.25Å; D116-Y120 WeakPolarHBondContact O-CE2 3.34Å; D116-Y120 PolarHBondContact O-OH 2.84Å; D116-V141 HydrophobicContact CB-CG2 4.36Å |
| 117 | D | 97.1 | Very high | 96 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | trans | -65.6 | 125.7 | 175.5 | -171 | -65.2 | 0 | 0 | 0 | 111.2 | R73 L114 S115 L139 T140 V141 R175 | R73-D117 PolarHBondContact NH1-O 3.1Å; R73-D117 VanDerWaalsContact NH1-O 3.17Å; R73-D117 PolarHBondContact NH2-O 3.44Å; L114-D117 VanDerWaalsContact O-CB 3.32Å; L114-D117 WeakPolarHBondContact O-CB 3.42Å; L114-D117 PolarHBondContact O-N 2.98Å; S115-D117 VanDerWaalsContact C-N 3.27Å; D117-L139 WeakPolarHBondContact CA-O 3.49Å; D117-T140 WeakPolarHBondContact OD2-CA 3.44Å; D117-V141 HydrophobicContact CB-CB 4.32Å; D117-V141 HydrophobicContact CB-CG2 4.39Å; D117-V141 PolarHBondContact OD2-N 2.81Å; D117-R175 VanDerWaalsContact CG-NH2 3.35Å; D117-R175 IonicContact OD1-NH2 3.54Å; D117-R175 PolarHBondContact OD1-NH2 3.48Å; D117-R175 IonicContact OD2-CZ 2.67Å; D117-R175 IonicContact OD2-NH1 2.69Å; D117-R175 PolarHBondContact OD2-NH1 2.85Å; D117-R175 VanDerWaalsContact OD2-NH1 3.17Å; D117-R175 IonicContact OD2-NH2 3.85Å; D117-R175 PolarHBondContact OD2-NH2 3.21Å | ||
| 118 | G | 97 | Very high | 95 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -173.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D116 L139 | D116-G118 PolarHBondContact O-N 3.46Å; G118-L139 PolarHBondContact N-O 3.38Å; G118-L139 PolarHBondContact O-N 3.05Å |
| 119 | T | 98.2 | Very high | 94 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.2 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | L71 Q72 T138 | L71-T119 WeakPolarHBondContact CD1-O 3.48Å; Q72-T119 VanDerWaalsContact CB-O 3.24Å; Q72-T119 WeakPolarHBondContact CB-O 3.43Å; Q72-T119 PolarHBondContact N-O 3.45Å; T119-T138 PolarHBondContact OG1-OG1 2.8Å |
| 120 | Y | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.2 | 179.6 | -70.9 | -104.2 | 0 | 0 | 0 | 109.4 | L53 Q70 L71 V79 D116 S136 I137 L139 | L53-Y120 HydrophobicContact CD1-CD1 3.85Å; L53-Y120 HydrophobicContact CD1-CD2 4.1Å; L53-Y120 HydrophobicContact CD1-CE1 4.38Å; L53-Y120 HydrophobicContact CD1-CG 3.71Å; Q70-Y120 CarbonylContact O-C 3.57Å; Q70-Y120 VanDerWaalsContact O-CA 3.29Å; Q70-Y120 WeakPolarHBondContact O-CA 3.49Å; L71-Y120 HydrophobicContact CB-CD1 4.3Å; L71-Y120 HydrophobicContact CB-CE1 4.08Å; L71-Y120 HydrophobicContact CD1-CD1 4.46Å; L71-Y120 HydrophobicContact CD1-CD2 3.97Å; L71-Y120 HydrophobicContact CD1-CE1 4.19Å; L71-Y120 HydrophobicContact CD1-CE2 3.64Å; L71-Y120 HydrophobicContact CD1-CG 4.35Å; V79-Y120 HydrophobicContact CG1-CE1 4.5Å; V79-Y120 HydrophobicContact CG2-CD1 3.96Å; V79-Y120 HydrophobicContact CG2-CE1 3.73Å; D116-Y120 VanDerWaalsContact O-CE2 3.25Å; D116-Y120 WeakPolarHBondContact O-CE2 3.34Å; D116-Y120 PolarHBondContact O-OH 2.84Å; Y120-S136 CarbonylContact O-C 3.55Å; Y120-S136 VanDerWaalsContact O-CA 3.3Å; Y120-S136 WeakPolarHBondContact O-CA 3.33Å; Y120-I137 PolarHBondContact N-O 2.87Å; Y120-I137 PolarHBondContact O-N 2.8Å; Y120-L139 HydrophobicContact CD2-CB 4.07Å; Y120-L139 HydrophobicContact CE2-CB 3.82Å; Y120-L139 HydrophobicContact CE2-CD2 3.96Å; Y120-L139 HydrophobicContact CE2-CG 4.48Å |
| 121 | D | 97.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137 | 173.2 | -61.4 | -39 | 0 | 0 | 0 | 109.5 | W69 Q70 G135 S136 | W69-D121 CarbonylContact C-O 3.54Å; W69-D121 WeakPolarHBondContact CA-O 3.27Å; Q70-D121 PolarHBondContact N-O 3.36Å; Q70-D121 PolarHBondContact O-N 2.95Å; D121-G135 WeakPolarHBondContact CA-O 3.33Å; D121-S136 VanDerWaalsContact OD1-CB 3.3Å; D121-S136 WeakPolarHBondContact OD1-CB 3.5Å; D121-S136 PolarHBondContact OD1-OG 3.02Å |
| 122 | V | 97.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.3 | 176 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | M36 V55 K68 W69 I124 E134 G135 | M36-V122 HydrophobicContact CE-CG1 3.63Å; M36-V122 HydrophobicContact SD-CG1 3.98Å; V55-V122 HydrophobicContact CG1-CG1 3.93Å; K68-V122 WeakPolarHBondContact O-CA 3.43Å; W69-V122 HydrophobicContact CD2-CB 3.81Å; W69-V122 HydrophobicContact CD2-CG2 3.88Å; W69-V122 VanDerWaalsContact CE2-CG2 3.46Å; W69-V122 HydrophobicContact CE3-CB 3.73Å; W69-V122 HydrophobicContact CE3-CG2 4.32Å; W69-V122 HydrophobicContact CG-CG2 4.41Å; W69-V122 HydrophobicContact CH2-CB 3.67Å; W69-V122 HydrophobicContact CH2-CG1 3.93Å; W69-V122 HydrophobicContact CH2-CG2 4.08Å; W69-V122 HydrophobicContact CZ2-CB 3.73Å; W69-V122 HydrophobicContact CZ2-CG1 4.25Å; W69-V122 HydrophobicContact CZ2-CG2 3.59Å; W69-V122 HydrophobicContact CZ3-CB 3.67Å; W69-V122 HydrophobicContact CZ3-CG1 4.17Å; W69-V122 HydrophobicContact CZ3-CG2 4.43Å; V122-I124 HydrophobicContact CG2-CD1 4.4Å; V122-I124 HydrophobicContact CG2-CG1 4.05Å; V122-E134 WeakPolarHBondContact O-CA 2.97Å; V122-G135 PolarHBondContact N-O 2.7Å; V122-G135 PolarHBondContact O-N 3.17Å; V122-G135 VanDerWaalsContact O-N 3.1Å |
| 123 | E | 95.9 | Very high | 91.5 | Very high | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.3 | 177.4 | -176.3 | -172.6 | 174.4 | 0 | 0 | 107.7 | K68 G133 | K68-E123 HydrophobicContact CB-CB 4.4Å; K68-E123 PolarHBondContact N-O 2.93Å; K68-E123 IonicContact NZ-OE2 3.76Å; K68-E123 PolarHBondContact NZ-OE2 3.5Å; K68-E123 PolarHBondContact O-N 2.87Å; E123-G133 CarbonylContact C-O 3.49Å; E123-G133 WeakPolarHBondContact CA-O 3.37Å |
| 124 | I | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.3 | 177.6 | -55.1 | -175 | 0 | 0 | 0 | 108 | V34 M36 V55 Y57 P65 V66 I67 V122 T132 G133 | V34-I124 HydrophobicContact CG1-CB 4.32Å; V34-I124 HydrophobicContact CG1-CG2 4.12Å; M36-I124 HydrophobicContact SD-CD1 3.67Å; M36-I124 HydrophobicContact SD-CG1 3.99Å; V55-I124 HydrophobicContact CG2-CD1 4.31Å; Y57-I124 HydrophobicContact CD1-CD1 3.52Å; Y57-I124 HydrophobicContact CD1-CG2 4.26Å; Y57-I124 HydrophobicContact CD2-CG2 4.33Å; Y57-I124 HydrophobicContact CE1-CD1 4.27Å; Y57-I124 HydrophobicContact CG-CD1 4.01Å; Y57-I124 HydrophobicContact CG-CG2 4.18Å; P65-I124 HydrophobicContact CB-CG2 3.84Å; V66-I124 WeakPolarHBondContact O-CA 3.3Å; I67-I124 HydrophobicContact CG1-CG1 4.3Å; I67-I124 HydrophobicContact CG1-CG2 4.35Å; V122-I124 HydrophobicContact CG2-CD1 4.4Å; V122-I124 HydrophobicContact CG2-CG1 4.05Å; I124-T132 CarbonylContact O-C 3.51Å; I124-T132 WeakPolarHBondContact O-CA 3.2Å; I124-G133 PolarHBondContact N-O 3.45Å; I124-G133 PolarHBondContact O-N 2.87Å |
| 125 | S | 93.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.6 | 179.6 | 63 | 0 | 0 | 0 | 0 | 110.6 | P65 V66 | P65-S125 CarbonylContact C-O 3.59Å; P65-S125 WeakPolarHBondContact CA-O 3.27Å; V66-S125 WeakPolarHBondContact CB-OG 3.33Å; V66-S125 PolarHBondContact N-O 2.92Å; V66-S125 PolarHBondContact O-N 3.49Å |
| 126 | I | 91.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.046 | 27% | 0.265 | C | S | . | . | trans | -130.7 | 140.4 | 179 | -58 | 169.4 | 0 | 0 | 0 | 107.4 | V34 Y57 D63 P65 D128 D129 | V34-I126 HydrophobicContact CG2-CB 4.44Å; V34-I126 HydrophobicContact CG2-CD1 3.96Å; V34-I126 HydrophobicContact CG2-CG1 4.11Å; Y57-I126 HydrophobicContact CD2-CD1 4.3Å; Y57-I126 HydrophobicContact CE2-CD1 4.04Å; D63-I126 HydrophobicContact CB-CG2 3.95Å; P65-I126 HydrophobicContact CB-CD1 4.31Å; P65-I126 HydrophobicContact CB-CG1 3.8Å; I126-D128 VanDerWaalsContact C-N 3.26Å; I126-D128 PolarHBondContact O-N 3.44Å; I126-D128 VanDerWaalsContact O-N 3.16Å; I126-D129 HydrophobicContact CB-CB 4.48Å; I126-D129 PolarHBondContact O-N 3.02Å | ||
| 127 | T | 81.5 | Confident | 91.5 | Very high | 117 Ų | 117 | 47.8 Ų | 47.8 | 72% | 0.718 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32.9 | -165.2 | -54.5 | 0 | 0 | 0 | 0 | 114.2 | D63 | D63-T127 WeakPolarHBondContact OD2-CB 3.25Š|
| 128 | D | 75.4 | Confident | 91.6 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.1 | 178.9 | -60 | -40.6 | 0 | 0 | 0 | 114.2 | S61 I126 | S61-D128 WeakPolarHBondContact CB-OD2 3.26Å; S61-D128 PolarHBondContact OG-OD2 2.86Å; I126-D128 VanDerWaalsContact C-N 3.26Å; I126-D128 PolarHBondContact O-N 3.44Å; I126-D128 VanDerWaalsContact O-N 3.16Å |
| 129 | D | 77.4 | Confident | 91.6 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | trans | -91.6 | 129.4 | -178.5 | -73.8 | -28.5 | 0 | 0 | 0 | 111 | G32 A33 V34 S59 I126 F131 | G32-D129 WeakPolarHBondContact CA-OD1 3.17Å; A33-D129 PolarHBondContact N-OD1 3.4Å; V34-D129 HydrophobicContact CG2-CB 4.04Å; V34-D129 VanDerWaalsContact CG2-OD2 3.24Å; V34-D129 WeakPolarHBondContact CG2-OD2 3.36Å; S59-D129 VanDerWaalsContact CB-OD2 3.28Å; S59-D129 WeakPolarHBondContact CB-OD2 3.3Å; S59-D129 PolarHBondContact OG-OD2 3.3Å; I126-D129 HydrophobicContact CB-CB 4.48Å; I126-D129 PolarHBondContact O-N 3.02Å; D129-F131 VanDerWaalsContact C-N 3.33Å | ||
| 130 | I | 74.9 | Confident | 91.6 | Very high | 129 Ų | 129 | 47.5 Ų | 47.5 | 66% | 0.662 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -74.4 | -30.3 | -179.8 | -58.6 | 173.4 | 0 | 0 | 0 | 110.6 | V31 G32 | V31-I130 HydrophobicContact CG1-CD1 4.49Å; G32-I130 PolarHBondContact O-N 3.39Å |
| 131 | F | 82.9 | Confident | 91.6 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -114.2 | 129.2 | -177 | -65 | -80.1 | 0 | 0 | 0 | 111.8 | V31 A33 V34 D129 | V31-F131 HydrophobicContact CG1-CD2 3.77Å; V31-F131 HydrophobicContact CG1-CE2 3.56Å; A33-F131 HydrophobicContact CB-CB 3.86Å; A33-F131 HydrophobicContact CB-CD2 4.32Å; V34-F131 PolarHBondContact N-O 3.42Å; V34-F131 VanDerWaalsContact N-O 3.13Å; D129-F131 VanDerWaalsContact C-N 3.33Å |
| 132 | T | 90.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | trans | -77 | 146.9 | 174.8 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | I124 E134 | I124-T132 CarbonylContact O-C 3.51Å; I124-T132 WeakPolarHBondContact O-CA 3.2Å; T132-E134 PolarHBondContact OG1-OE1 2.99Å | ||
| 133 | G | 91.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | E123 I124 | E123-G133 CarbonylContact C-O 3.49Å; E123-G133 WeakPolarHBondContact CA-O 3.37Å; I124-G133 PolarHBondContact N-O 3.45Å; I124-G133 PolarHBondContact O-N 2.87Å |
| 134 | E | 94.8 | Very high | 91.6 | Very high | 141 Ų | 141 | 48 Ų | 48 | 66% | 0.659 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.7 | -178.7 | -68.5 | -177.8 | -176.1 | 0 | 0 | 112.1 | M36 V122 T132 | M36-E134 WeakPolarHBondContact CE-O 3.26Å; V122-E134 WeakPolarHBondContact O-CA 2.97Å; T132-E134 PolarHBondContact OG1-OE1 2.99Å |
| 135 | G | 95.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D121 V122 | D121-G135 WeakPolarHBondContact CA-O 3.33Å; V122-G135 PolarHBondContact N-O 2.7Å; V122-G135 PolarHBondContact O-N 3.17Å; V122-G135 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 97.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.9 | -174 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | Y120 D121 | Y120-S136 CarbonylContact O-C 3.55Å; Y120-S136 VanDerWaalsContact O-CA 3.3Å; Y120-S136 WeakPolarHBondContact O-CA 3.33Å; D121-S136 VanDerWaalsContact OD1-CB 3.3Å; D121-S136 WeakPolarHBondContact OD1-CB 3.5Å; D121-S136 PolarHBondContact OD1-OG 3.02Å |
| 137 | I | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.8 | 176 | -56.4 | -175.7 | 0 | 0 | 0 | 109.3 | I38 I43 L53 S54 V55 W69 Y120 | I38-I137 HydrophobicContact CD1-CG1 4.1Å; I38-I137 HydrophobicContact CG2-CD1 3.82Å; I38-I137 HydrophobicContact CG2-CG1 3.74Å; I43-I137 HydrophobicContact CG1-CG2 3.81Å; L53-I137 HydrophobicContact CB-CD1 4.14Å; L53-I137 HydrophobicContact CD2-CB 4.42Å; L53-I137 HydrophobicContact CD2-CG2 3.79Å; S54-I137 WeakPolarHBondContact O-CD1 3.39Å; V55-I137 HydrophobicContact CG1-CD1 4.03Å; W69-I137 HydrophobicContact CH2-CD1 3.88Å; W69-I137 HydrophobicContact CH2-CG1 4.48Å; W69-I137 HydrophobicContact CZ3-CD1 4.43Å; Y120-I137 PolarHBondContact N-O 2.87Å; Y120-I137 PolarHBondContact O-N 2.8Å |
| 138 | T | 98.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.3 | 173.7 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | A41 L42 I43 T119 | A41-T138 PolarHBondContact O-N 2.73Å; L42-T138 CarbonylContact C-O 3.57Å; L42-T138 WeakPolarHBondContact CA-O 3.03Å; L42-T138 HydrophobicContact CD1-CG2 4.13Å; I43-T138 PolarHBondContact N-O 2.88Å; T119-T138 PolarHBondContact OG1-OG1 2.8Å |
| 139 | L | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.6 | 171.6 | 173.7 | 60.2 | 0 | 0 | 0 | 109.4 | I43 A51 L53 L109 L112 D117 G118 Y120 V141 | I43-L139 HydrophobicContact CB-CD1 4.16Å; I43-L139 HydrophobicContact CG2-CD1 3.97Å; I43-L139 WeakPolarHBondContact O-CA 3.5Å; A51-L139 HydrophobicContact CB-CD1 3.61Å; A51-L139 HydrophobicContact CB-CD2 4.04Å; A51-L139 HydrophobicContact CB-CG 4.5Å; L53-L139 HydrophobicContact CD2-CB 4.32Å; L109-L139 HydrophobicContact CD2-CD2 4.36Å; L112-L139 HydrophobicContact CD2-CD2 4.07Å; D117-L139 WeakPolarHBondContact CA-O 3.49Å; G118-L139 PolarHBondContact N-O 3.38Å; G118-L139 PolarHBondContact O-N 3.05Å; Y120-L139 HydrophobicContact CD2-CB 4.07Å; Y120-L139 HydrophobicContact CE2-CB 3.82Å; Y120-L139 HydrophobicContact CE2-CD2 3.96Å; Y120-L139 HydrophobicContact CE2-CG 4.48Å; L139-V141 HydrophobicContact CD1-CG2 4.32Å; L139-V141 HydrophobicContact CD2-CG2 4.1Å; L139-V141 HydrophobicContact CG-CG2 3.92Å |
| 140 | T | 97.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.8 | 168.1 | 61 | 0 | 0 | 0 | 0 | 109.5 | L42 I43 G45 D117 | L42-T140 HydrophobicContact CD1-CG2 3.99Å; I43-T140 PolarHBondContact O-N 3.19Å; G45-T140 PolarHBondContact N-O 2.97Å; D117-T140 WeakPolarHBondContact OD2-CA 3.44Å |
| 141 | V | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.4 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | G45 V47 L112 L114 D116 D117 L139 R175 | G45-V141 WeakPolarHBondContact O-CA 3.38Å; V47-V141 HydrophobicContact CG2-CG1 3.98Å; L112-V141 HydrophobicContact CB-CG1 4.07Å; L114-V141 HydrophobicContact CD2-CG1 4.45Å; D116-V141 HydrophobicContact CB-CG2 4.36Å; D117-V141 HydrophobicContact CB-CB 4.32Å; D117-V141 HydrophobicContact CB-CG2 4.39Å; D117-V141 PolarHBondContact OD2-N 2.81Å; L139-V141 HydrophobicContact CD1-CG2 4.32Å; L139-V141 HydrophobicContact CD2-CG2 4.1Å; L139-V141 HydrophobicContact CG-CG2 3.92Å; V141-R175 PolarHBondContact O-NH1 3.28Å; V141-R175 VanDerWaalsContact O-NH1 3.15Å |
| 142 | D | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148 | 179.1 | -72.5 | -58.2 | 0 | 0 | 0 | 111.7 | G45 A46 V47 T174 R175 P222 L223 | G45-D142 PolarHBondContact O-N 2.91Å; A46-D142 CarbonylContact C-O 3.6Å; A46-D142 VanDerWaalsContact CA-O 3.26Å; A46-D142 WeakPolarHBondContact CA-O 3.41Å; V47-D142 PolarHBondContact N-O 3.31Å; D142-T174 WeakPolarHBondContact CA-OG1 3.49Å; D142-T174 WeakPolarHBondContact CB-OG1 3.44Å; D142-T174 PolarHBondContact OD1-OG1 2.88Å; D142-R175 WeakPolarHBondContact OD1-CD 3.49Å; D142-R175 IonicContact OD1-CZ 3.39Å; D142-R175 IonicContact OD1-NH1 3.58Å; D142-R175 PolarHBondContact OD1-NH1 3.14Å; D142-R175 IonicContact OD2-NH1 3.21Å; D142-P222 WeakPolarHBondContact OD2-CG 3.45Å; D142-L223 HydrophobicContact CB-CD1 3.89Å; D142-L223 HydrophobicContact CB-CD2 4.42Å; D142-L223 HydrophobicContact CB-CG 3.87Å; D142-L223 WeakPolarHBondContact O-CD1 3.31Å |
| 143 | E | 97.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 132 | 172.9 | -166.9 | 179 | -151.9 | 0 | 0 | 109.8 | V47 N172 G173 T174 N221 | V47-E143 HydrophobicContact CG2-CB 4.02Å; V47-E143 HydrophobicContact CG2-CG 4.34Å; E143-N172 HydrophobicContact CG-CB 4.27Å; E143-G173 WeakPolarHBondContact O-CA 3.44Å; E143-G173 PolarHBondContact OE2-N 3.06Å; E143-T174 HydrophobicContact CB-CG2 3.89Å; E143-T174 PolarHBondContact N-OG1 2.91Å; E143-T174 PolarHBondContact O-N 2.9Å; E143-N221 PolarHBondContact O-ND2 3.01Å |
| 144 | P | 96.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.6 | 175.5 | -23.9 | 33 | 0 | 0 | 0 | 112.6 | S146 L223 | P144-S146 PolarHBondContact O-N 3.15Å; P144-L223 HydrophobicContact CG-CD1 3.96Å |
| 145 | I | 97.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 123.8 | 179.5 | -64.1 | 159.1 | 0 | 0 | 0 | 110.2 | N172 T176 V219 E220 N221 M226 | I145-N172 WeakPolarHBondContact CA-O 3.26Å; I145-T176 HydrophobicContact CD1-CG2 4.43Å; I145-T176 HydrophobicContact CG1-CG2 4.09Å; I145-V219 HydrophobicContact CD1-CB 4.4Å; I145-V219 HydrophobicContact CD1-CG1 3.93Å; I145-V219 HydrophobicContact CG1-CG1 4.27Å; I145-V219 HydrophobicContact CG2-CB 4.06Å; I145-V219 HydrophobicContact CG2-CG1 3.99Å; I145-E220 VanDerWaalsContact CD1-C 3.44Å; I145-N221 HydrophobicContact CD1-CB 3.54Å; I145-N221 VanDerWaalsContact CD1-CG 3.48Å; I145-N221 VanDerWaalsContact CD1-N 3.26Å; I145-N221 HydrophobicContact CG1-CB 3.9Å; I145-M226 HydrophobicContact CB-CB 4.26Å; I145-M226 HydrophobicContact CG2-CB 3.76Å |
| 146 | S | 96.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 157.2 | 165.9 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | P144 P148 E171 N172 | P144-S146 PolarHBondContact O-N 3.15Å; S146-P148 VanDerWaalsContact O-CD 3.28Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å; S146-P148 VanDerWaalsContact O-N 3.08Å; S146-E171 PolarHBondContact OG-N 2.9Å; S146-N172 PolarHBondContact N-O 2.81Å; S146-N172 PolarHBondContact OG-N 2.81Å; S146-N172 PolarHBondContact OG-O 2.96Å |
| 147 | R | 97.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 48 Ų | 48 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 117.7 | 179.2 | -175.4 | 178.2 | -65.5 | -87.8 | 2.5 | 110.7 | M226 | R147-M226 HydrophobicContact CB-CE 3.82Å; R147-M226 HydrophobicContact CG-CE 3.85Å |
| 148 | P | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 157.8 | 179.5 | 27.8 | -29.3 | 0 | 0 | 0 | 111 | S146 S169 H170 V219 M226 S228 | S146-P148 VanDerWaalsContact O-CD 3.28Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å; S146-P148 VanDerWaalsContact O-N 3.08Å; P148-S169 CarbonylContact C-O 3.56Å; P148-S169 WeakPolarHBondContact CA-O 3.41Å; P148-S169 WeakPolarHBondContact CB-O 3.31Å; P148-H170 HydrophobicContact CB-CB 4.21Å; P148-V219 HydrophobicContact CB-CG2 3.71Å; P148-V219 HydrophobicContact CG-CB 4.39Å; P148-V219 HydrophobicContact CG-CG2 3.85Å; P148-M226 VanDerWaalsContact CD-CG 3.47Å; P148-S228 WeakPolarHBondContact O-CA 3.47Å; P148-S228 VanDerWaalsContact O-CB 3.26Å; P148-S228 WeakPolarHBondContact O-CB 3.28Å |
| 149 | Y | 96.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 51 Ų | 51 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 155.1 | 176 | 52.8 | -102.2 | 0 | 0 | 0 | 109.9 | H151 S169 E171 | Y149-H151 AromaticContact CD2-CD2 3.75Å; Y149-H151 AromaticContact CD2-CE1 3.99Å; Y149-H151 AromaticContact CD2-NE2 3.53Å; Y149-H151 AromaticContact CE2-CD2 3.37Å; Y149-H151 WeakPolarHBondContact CE2-CD2 3.48Å; Y149-H151 AromaticContact CE2-CE1 3.8Å; Y149-H151 AromaticContact CE2-NE2 2.97Å; Y149-H151 WeakPolarHBondContact CE2-NE2 2.92Å; Y149-H151 AromaticContact CZ-NE2 3.93Å; Y149-S169 VanDerWaalsContact CE2-CB 3.44Å; Y149-S169 PolarHBondContact N-O 2.84Å; Y149-S169 PolarHBondContact O-N 2.97Å; Y149-E171 HydrophobicContact CE1-CG 4.43Å |
| 150 | I | 97.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123 | -179.6 | -61 | 162.3 | 0 | 0 | 0 | 109.6 | L166 N167 W180 C217 S228 I231 | I150-L166 HydrophobicContact CG2-CB 4.12Å; I150-L166 HydrophobicContact CG2-CD2 4.04Å; I150-N167 CarbonylContact C-O 3.55Å; I150-N167 WeakPolarHBondContact CA-O 3.22Å; I150-W180 HydrophobicContact CD1-CH2 4.18Å; I150-W180 HydrophobicContact CD1-CZ3 3.69Å; I150-W180 HydrophobicContact CG1-CH2 4Å; I150-W180 HydrophobicContact CG1-CZ3 4.04Å; I150-W180 HydrophobicContact CG2-CH2 3.86Å; I150-W180 HydrophobicContact CG2-CZ3 4.18Å; I150-C217 HydrophobicContact CD1-CB 4.3Å; I150-C217 HydrophobicContact CG1-CB 4.39Å; I150-C217 VanDerWaalsContact CG1-SG 3.58Å; I150-S228 WeakPolarHBondContact CD1-OG 3.48Å; I150-I231 HydrophobicContact CB-CD1 3.75Å; I150-I231 HydrophobicContact CB-CG1 4.31Å; I150-I231 HydrophobicContact CD1-CD1 3.74Å; I150-I231 HydrophobicContact CD1-CG1 3.76Å; I150-I231 HydrophobicContact CG1-CD1 4.34Å; I150-I231 HydrophobicContact CG2-CD1 3.42Å; I150-I231 VanDerWaalsContact CG2-CD1 3.42Å; I150-I231 HydrophobicContact CG2-CG1 4.46Å |
| 151 | H | 95.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 38% | 0.384 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138.1 | 169.8 | -76.2 | -56.2 | 0 | 0 | 0 | 110.8 | Y149 N167 | Y149-H151 AromaticContact CD2-CD2 3.75Å; Y149-H151 AromaticContact CD2-CE1 3.99Å; Y149-H151 AromaticContact CD2-NE2 3.53Å; Y149-H151 AromaticContact CE2-CD2 3.37Å; Y149-H151 WeakPolarHBondContact CE2-CD2 3.48Å; Y149-H151 AromaticContact CE2-CE1 3.8Å; Y149-H151 AromaticContact CE2-NE2 2.97Å; Y149-H151 WeakPolarHBondContact CE2-NE2 2.92Å; Y149-H151 AromaticContact CZ-NE2 3.93Å; H151-N167 HydrophobicContact CB-CB 4.27Å; H151-N167 PolarHBondContact N-O 3.45Å; H151-N167 PolarHBondContact O-N 2.81Å |
| 152 | M | 93 | Very high | 94.2 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.3 | 174.6 | 69.8 | 178.4 | 72.6 | 0 | 0 | 109.9 | S155 F164 L166 I231 | M152-S155 VanDerWaalsContact SD-CA 3.58Å; M152-F164 HydrophobicContact CB-CZ 4.13Å; M152-F164 HydrophobicContact SD-CZ 4.26Å; M152-L166 HydrophobicContact CB-CD2 3.89Å; M152-L166 HydrophobicContact CE-CD2 3.79Å; M152-I231 HydrophobicContact CE-CB 3.83Å; M152-I231 HydrophobicContact CE-CD1 3.06Å; M152-I231 HydrophobicContact CE-CG1 3.98Å; M152-I231 HydrophobicContact CE-CG2 4.25Å |
| 153 | E | 87.6 | Confident | 93.9 | Very high | 176 Ų | 176 | 67.4 Ų | 67.4 | 82% | 0.822 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -67.8 | -37.8 | 179.7 | -64.5 | -174.7 | 166.2 | 0 | 0 | 112.6 | ||
| 154 | A | 89.3 | Confident | 93.7 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | trans | -154.3 | 146.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S156 F164 | A154-S156 WeakPolarHBondContact CB-O 2.94Å; A154-S156 PolarHBondContact O-N 2.92Å; A154-F164 WeakPolarHBondContact O-CE2 3.49Å; A154-F164 VanDerWaalsContact O-CZ 3.24Å; A154-F164 WeakPolarHBondContact O-CZ 3.49Å | ||
| 155 | S | 90.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 64 Ų | 64 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -70.5 | -5.7 | 173.5 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | M152 A234 | M152-S155 VanDerWaalsContact SD-CA 3.58Å; S155-A234 PolarHBondContact O-N 2.79Å |
| 156 | S | 91.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.4 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | A154 A234 | A154-S156 WeakPolarHBondContact CB-O 2.94Å; A154-S156 PolarHBondContact O-N 2.92Å; S156-A234 CarbonylContact C-O 3.56Å; S156-A234 VanDerWaalsContact CA-O 3.28Å; S156-A234 WeakPolarHBondContact CA-O 3.01Å |
| 157 | V | 94 | Very high | 93.6 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.1 | 179.6 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | F164 V207 L233 A234 V235 Y236 | V157-F164 HydrophobicContact CB-CD2 3.86Å; V157-F164 HydrophobicContact CB-CE2 4.11Å; V157-F164 HydrophobicContact CB-CG 4.44Å; V157-F164 HydrophobicContact CG1-CD2 4.42Å; V157-F164 HydrophobicContact CG2-CB 4.33Å; V157-F164 HydrophobicContact CG2-CD2 3.8Å; V157-F164 HydrophobicContact CG2-CG 4.29Å; V157-V207 HydrophobicContact CG1-CG1 3.78Å; V157-V207 HydrophobicContact CG1-CG2 4.45Å; V157-V207 HydrophobicContact CG2-CG2 4.24Å; V157-L233 HydrophobicContact CB-CD1 4.48Å; V157-L233 HydrophobicContact CG1-CD1 3.79Å; V157-L233 HydrophobicContact CG1-CD2 4.49Å; V157-L233 HydrophobicContact CG1-CG 4.32Å; V157-A234 PolarHBondContact N-O 2.86Å; V157-V235 HydrophobicContact CG1-CG2 3.97Å; V157-V235 WeakPolarHBondContact O-CA 3.37Å; V157-Y236 PolarHBondContact O-N 2.91Å |
| 158 | L | 92.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 143.2 | 174.2 | -64 | 177.4 | 0 | 0 | 0 | 110.7 | S161 Y236 V241 | L158-S161 VanDerWaalsContact O-CB 3.3Å; L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.82Å; L158-S161 VanDerWaalsContact O-N 3.1Å; L158-Y236 WeakPolarHBondContact CA-O 3.33Å; L158-V241 HydrophobicContact CD2-CB 4.5Å; L158-V241 HydrophobicContact CD2-CG2 3.65Å |
| 159 | E | 94.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 139.4 | 167.9 | -166.8 | -172.2 | -156.3 | 0 | 0 | 110.1 | S161 M209 V235 Y236 R237 | E159-S161 PolarHBondContact O-N 2.89Å; E159-M209 HydrophobicContact CG-CG 4.31Å; E159-M209 WeakPolarHBondContact OE1-CG 3.42Å; E159-V235 HydrophobicContact CB-CG1 4.19Å; E159-Y236 PolarHBondContact N-O 2.93Å; E159-R237 WeakPolarHBondContact OE2-CD 3.1Å; E159-R237 VanDerWaalsContact OE2-CG 3.27Å; E159-R237 WeakPolarHBondContact OE2-CG 3.13Å |
| 160 | L | 91.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 22.4 | -173.4 | -51.3 | 169.6 | 0 | 0 | 0 | 114 | E162 V207 | L160-E162 PolarHBondContact O-N 3.4Å; L160-V207 PolarHBondContact N-O 2.81Å |
| 161 | S | 92 | Very high | 93.5 | Very high | 39 Ų | 39 | 59 Ų | 59 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | -62 | 132.3 | 163.2 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | L158 E159 R206 V207 | L158-S161 VanDerWaalsContact O-CB 3.3Å; L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.82Å; L158-S161 VanDerWaalsContact O-N 3.1Å; E159-S161 PolarHBondContact O-N 2.89Å; S161-R206 VanDerWaalsContact O-CA 3.26Å; S161-R206 WeakPolarHBondContact O-CA 3.3Å; S161-R206 PolarHBondContact O-N 2.67Å; S161-V207 PolarHBondContact O-N 3.34Å | ||
| 162 | E | 90.9 | Very high | 93.4 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 62% | 0.617 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -63.6 | -47.6 | -174 | -73 | -60.6 | 154.3 | 0 | 0 | 111.5 | L160 S205 R206 | L160-E162 PolarHBondContact O-N 3.4Å; E162-S205 CarbonylContact O-C 3.53Å; E162-S205 WeakPolarHBondContact O-CA 3.26Å; E162-R206 PolarHBondContact O-N 3.06Å |
| 163 | N | 91.9 | Very high | 93.6 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.4 | 179.8 | -65.6 | -41.2 | 0 | 0 | 0 | 110.2 | T203 | N163-T203 HydrophobicContact CB-CG2 4.28Å |
| 164 | F | 94.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.5 | 168.9 | -177.2 | -97.6 | 0 | 0 | 0 | 109.2 | M152 A154 V157 L166 T203 I204 V207 L233 | M152-F164 HydrophobicContact CB-CZ 4.13Å; M152-F164 HydrophobicContact SD-CZ 4.26Å; A154-F164 WeakPolarHBondContact O-CE2 3.49Å; A154-F164 VanDerWaalsContact O-CZ 3.24Å; A154-F164 WeakPolarHBondContact O-CZ 3.49Å; V157-F164 HydrophobicContact CB-CD2 3.86Å; V157-F164 HydrophobicContact CB-CE2 4.11Å; V157-F164 HydrophobicContact CB-CG 4.44Å; V157-F164 HydrophobicContact CG1-CD2 4.42Å; V157-F164 HydrophobicContact CG2-CB 4.33Å; V157-F164 HydrophobicContact CG2-CD2 3.8Å; V157-F164 HydrophobicContact CG2-CG 4.29Å; F164-L166 HydrophobicContact CD1-CG 4.35Å; F164-L166 HydrophobicContact CE1-CD2 3.7Å; F164-L166 HydrophobicContact CE1-CG 3.93Å; F164-L166 HydrophobicContact CZ-CD2 4.4Å; F164-T203 WeakPolarHBondContact O-CA 3.4Å; F164-I204 HydrophobicContact CD1-CD1 4.43Å; F164-I204 PolarHBondContact N-O 2.8Å; F164-I204 PolarHBondContact O-N 2.99Å; F164-V207 HydrophobicContact CB-CG2 3.82Å; F164-L233 HydrophobicContact CD1-CD1 4.14Å; F164-L233 HydrophobicContact CD1-CD2 4.04Å; F164-L233 HydrophobicContact CE1-CD1 3.42Å; F164-L233 VanDerWaalsContact CE1-CD1 3.42Å; F164-L233 HydrophobicContact CE1-CD2 3.9Å; F164-L233 HydrophobicContact CE1-CG 4.27Å; F164-L233 HydrophobicContact CE2-CD1 4.16Å; F164-L233 HydrophobicContact CZ-CD1 3.43Å; F164-L233 VanDerWaalsContact CZ-CD1 3.43Å |
| 165 | V | 95.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.3 | -169.9 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | C201 L202 T203 C365 | V165-C201 HydrophobicContact CG1-CB 4.44Å; V165-L202 WeakPolarHBondContact CA-O 3.33Å; V165-T203 HydrophobicContact CG2-CG2 4.2Å; V165-C365 HydrophobicContact CG1-CB 4.22Å |
| 166 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.1 | 170.7 | -64.2 | 166.6 | 0 | 0 | 0 | 108 | I150 M152 F164 W180 C201 L202 I204 Y215 I231 | I150-L166 HydrophobicContact CG2-CB 4.12Å; I150-L166 HydrophobicContact CG2-CD2 4.04Å; M152-L166 HydrophobicContact CB-CD2 3.89Å; M152-L166 HydrophobicContact CE-CD2 3.79Å; F164-L166 HydrophobicContact CD1-CG 4.35Å; F164-L166 HydrophobicContact CE1-CD2 3.7Å; F164-L166 HydrophobicContact CE1-CG 3.93Å; F164-L166 HydrophobicContact CZ-CD2 4.4Å; L166-W180 HydrophobicContact CB-CH2 3.54Å; L166-W180 HydrophobicContact CB-CZ2 4.33Å; L166-W180 HydrophobicContact CB-CZ3 3.84Å; L166-W180 HydrophobicContact CD1-CZ3 4.29Å; L166-W180 WeakPolarHBondContact O-CZ2 3.46Å; L166-C201 CarbonylContact O-C 3.47Å; L166-C201 WeakPolarHBondContact O-CA 3.47Å; L166-L202 HydrophobicContact CB-CB 4.3Å; L166-L202 HydrophobicContact CD1-CD2 4.07Å; L166-L202 HydrophobicContact CD1-CG 4.49Å; L166-L202 PolarHBondContact N-O 3.02Å; L166-L202 PolarHBondContact O-N 2.83Å; L166-I204 HydrophobicContact CD1-CD1 4.35Å; L166-Y215 HydrophobicContact CD1-CD1 3.69Å; L166-Y215 HydrophobicContact CD1-CD2 4.46Å; L166-Y215 HydrophobicContact CD1-CE1 4.11Å; L166-Y215 HydrophobicContact CD1-CG 3.88Å; L166-I231 HydrophobicContact CD2-CD1 3.7Å |
| 167 | N | 96.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114 | -179 | 177.8 | -8.6 | 0 | 0 | 0 | 110 | I150 H151 S169 K200 P363 | I150-N167 CarbonylContact C-O 3.55Å; I150-N167 WeakPolarHBondContact CA-O 3.22Å; H151-N167 HydrophobicContact CB-CB 4.27Å; H151-N167 PolarHBondContact N-O 3.45Å; H151-N167 PolarHBondContact O-N 2.81Å; N167-S169 PolarHBondContact OD1-OG 2.89Å; N167-K200 WeakPolarHBondContact OD1-CE 3.26Å; N167-P363 PolarHBondContact ND2-O 3.28Å |
| 168 | C | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.1 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | Y178 W180 K200 C217 | C168-Y178 HydrophobicContact CB-CD1 3.95Å; C168-Y178 HydrophobicContact CB-CE1 4.15Å; C168-W180 HydrophobicContact CB-CH2 3.96Å; C168-W180 HydrophobicContact CB-CZ2 3.57Å; C168-K200 PolarHBondContact N-O 2.85Å; C168-K200 WeakPolarHBondContact O-CE 3.43Å; C168-K200 WeakPolarHBondContact O-CG 3.18Å; C168-C217 HydrophobicContact CB-CB 3.57Å; C168-C217 WeakPolarHBondContact CB-SG 3.23Å; C168-C217 WeakPolarHBondContact SG-CB 3.45Å; C168-C217 CovalentContact SG-SG 2.03Å; C168-C217 PolarHBondContact SG-SG 2.77Å |
| 169 | S | 96.1 | Very high | 95 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 155.4 | -178.9 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | P148 Y149 N167 K200 | P148-S169 CarbonylContact C-O 3.56Å; P148-S169 WeakPolarHBondContact CA-O 3.41Å; P148-S169 WeakPolarHBondContact CB-O 3.31Å; Y149-S169 VanDerWaalsContact CE2-CB 3.44Å; Y149-S169 PolarHBondContact N-O 2.84Å; Y149-S169 PolarHBondContact O-N 2.97Å; N167-S169 PolarHBondContact OD1-OG 2.89Å; S169-K200 VanDerWaalsContact OG-CE 3.22Å; S169-K200 WeakPolarHBondContact OG-CE 3.48Å |
| 170 | H | 96.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | trans | -143.1 | 160.2 | 176.1 | 66 | 85.9 | 0 | 0 | 0 | 108.8 | P148 N172 Y178 | P148-H170 HydrophobicContact CB-CB 4.21Å; H170-N172 VanDerWaalsContact ND1-C 3.35Å; H170-N172 PolarHBondContact ND1-O 3.38Å; H170-Y178 AromaticContact CD2-CZ 3.89Å; H170-Y178 PolarHBondContact CD2-OH 3.16Å; H170-Y178 AromaticContact NE2-CZ 3.96Å; H170-Y178 PolarHBondContact NE2-OH 2.69Å | ||
| 171 | E | 95.8 | Very high | 95.5 | Very high | 156 Ų | 156 | 50.4 Ų | 50.4 | 73% | 0.729 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -85.8 | -53.2 | -178.9 | -64.2 | -178 | 167.3 | 0 | 0 | 111.6 | S146 Y149 | S146-E171 PolarHBondContact OG-N 2.9Å; Y149-E171 HydrophobicContact CE1-CG 4.43Å |
| 172 | N | 94.9 | Very high | 95.7 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -114.2 | 148.6 | -178.8 | -61.4 | -4.8 | 0 | 0 | 0 | 111.1 | E143 I145 S146 H170 | E143-N172 HydrophobicContact CG-CB 4.27Å; I145-N172 WeakPolarHBondContact CA-O 3.26Å; S146-N172 PolarHBondContact N-O 2.81Å; S146-N172 PolarHBondContact OG-N 2.81Å; S146-N172 PolarHBondContact OG-O 2.96Å; H170-N172 VanDerWaalsContact ND1-C 3.35Å; H170-N172 PolarHBondContact ND1-O 3.38Å |
| 173 | G | 95.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | trans | 143.4 | 136.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E143 | E143-G173 WeakPolarHBondContact O-CA 3.44Å; E143-G173 PolarHBondContact OE2-N 3.06Å | ||
| 174 | T | 95.9 | Very high | 96 | Very high | 27 Ų | 27 | 44 Ų | 44 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -114.1 | 155.2 | 176.2 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | L114 D142 E143 T176 N221 | L114-T174 HydrophobicContact CD1-CG2 4.2Å; L114-T174 HydrophobicContact CD2-CG2 3.81Å; D142-T174 WeakPolarHBondContact CA-OG1 3.49Å; D142-T174 WeakPolarHBondContact CB-OG1 3.44Å; D142-T174 PolarHBondContact OD1-OG1 2.88Å; E143-T174 HydrophobicContact CB-CG2 3.89Å; E143-T174 PolarHBondContact N-OG1 2.91Å; E143-T174 PolarHBondContact O-N 2.9Å; T174-T176 PolarHBondContact O-N 3.24Å; T174-T176 VanDerWaalsContact O-N 3.11Å; T174-N221 VanDerWaalsContact O-CB 3.31Å; T174-N221 WeakPolarHBondContact O-CB 3.25Å |
| 175 | R | 94.3 | Very high | 96 | Very high | 133 Ų | 133 | 51.1 Ų | 51.1 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 50 | 40 | 175.4 | -58.9 | -176.6 | 176.7 | 94.2 | -4 | 112.8 | D117 V141 D142 | D117-R175 VanDerWaalsContact CG-NH2 3.35Å; D117-R175 IonicContact OD1-NH2 3.54Å; D117-R175 PolarHBondContact OD1-NH2 3.48Å; D117-R175 IonicContact OD2-CZ 2.67Å; D117-R175 IonicContact OD2-NH1 2.69Å; D117-R175 PolarHBondContact OD2-NH1 2.85Å; D117-R175 VanDerWaalsContact OD2-NH1 3.17Å; D117-R175 IonicContact OD2-NH2 3.85Å; D117-R175 PolarHBondContact OD2-NH2 3.21Å; V141-R175 PolarHBondContact O-NH1 3.28Å; V141-R175 VanDerWaalsContact O-NH1 3.15Å; D142-R175 WeakPolarHBondContact OD1-CD 3.49Å; D142-R175 IonicContact OD1-CZ 3.39Å; D142-R175 IonicContact OD1-NH1 3.58Å; D142-R175 PolarHBondContact OD1-NH1 3.14Å; D142-R175 IonicContact OD2-NH1 3.21Å |
| 176 | T | 96.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.233 | 29% | 0.293 | C | S | . | . | trans | -79.9 | 144.3 | -170.9 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | I145 T174 V219 E220 | I145-T176 HydrophobicContact CD1-CG2 4.43Å; I145-T176 HydrophobicContact CG1-CG2 4.09Å; T174-T176 PolarHBondContact O-N 3.24Å; T174-T176 VanDerWaalsContact O-N 3.11Å; T176-V219 HydrophobicContact CG2-CG1 3.79Å; T176-E220 CarbonylContact C-O 3.55Å; T176-E220 VanDerWaalsContact CA-O 3.29Å; T176-E220 WeakPolarHBondContact CA-O 3.39Å | ||
| 177 | T | 96.4 | Very high | 96 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152.8 | 169.8 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | V219 E220 | T177-V219 CarbonylContact O-C 3.56Å; T177-V219 VanDerWaalsContact O-CA 3.31Å; T177-V219 WeakPolarHBondContact O-CA 3.46Å; T177-E220 PolarHBondContact N-O 2.83Å; T177-E220 PolarHBondContact O-N 2.9Å; T177-E220 PolarHBondContact OG1-O 3.21Å |
| 178 | Y | 97.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139 | -171 | -66.9 | -102.5 | 0 | 0 | 0 | 111.5 | C168 H170 Q199 K200 T218 V219 | C168-Y178 HydrophobicContact CB-CD1 3.95Å; C168-Y178 HydrophobicContact CB-CE1 4.15Å; H170-Y178 AromaticContact CD2-CZ 3.89Å; H170-Y178 PolarHBondContact CD2-OH 3.16Å; H170-Y178 AromaticContact NE2-CZ 3.96Å; H170-Y178 PolarHBondContact NE2-OH 2.69Å; Y178-Q199 WeakPolarHBondContact CB-O 3.45Å; Y178-Q199 PolarHBondContact O-OE1 3.42Å; Y178-Q199 VanDerWaalsContact O-OE1 3.07Å; Y178-K200 HydrophobicContact CD1-CG 4.39Å; Y178-K200 HydrophobicContact CD2-CB 4.48Å; Y178-K200 HydrophobicContact CE1-CB 4.46Å; Y178-K200 HydrophobicContact CE1-CG 3.92Å; Y178-K200 HydrophobicContact CE2-CB 4.42Å; Y178-K200 HydrophobicContact CE2-CG 4.46Å; Y178-T218 CarbonylContact C-O 3.55Å; Y178-V219 HydrophobicContact CD1-CG2 3.67Å; Y178-V219 HydrophobicContact CE1-CG1 4.42Å; Y178-V219 HydrophobicContact CE1-CG2 3.59Å |
| 179 | K | 96.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.6 | 176 | -69 | 171.5 | -178.6 | 161.5 | 0 | 109.6 | F181 C217 T218 E220 | K179-F181 HydrophobicContact CB-CE2 3.8Å; K179-F181 HydrophobicContact CB-CZ 4.37Å; K179-C217 CarbonylContact O-C 3.5Å; K179-C217 VanDerWaalsContact O-CA 3.31Å; K179-C217 WeakPolarHBondContact O-CA 3.43Å; K179-T218 PolarHBondContact N-O 3.17Å; K179-T218 PolarHBondContact O-N 3.15Å; K179-E220 IonicContact NZ-OE2 2.73Å; K179-E220 PolarHBondContact NZ-OE2 3.14Å |
| 180 | W | 97.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 68.8 Ų | 68.8 | 3% | 0.034 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145.1 | 179 | -76.2 | 89.6 | 0 | 0 | 0 | 112 | I150 L166 C168 L187 L195 Q199 K200 L202 C217 | I150-W180 HydrophobicContact CD1-CH2 4.18Å; I150-W180 HydrophobicContact CD1-CZ3 3.69Å; I150-W180 HydrophobicContact CG1-CH2 4Å; I150-W180 HydrophobicContact CG1-CZ3 4.04Å; I150-W180 HydrophobicContact CG2-CH2 3.86Å; I150-W180 HydrophobicContact CG2-CZ3 4.18Å; L166-W180 HydrophobicContact CB-CH2 3.54Å; L166-W180 HydrophobicContact CB-CZ2 4.33Å; L166-W180 HydrophobicContact CB-CZ3 3.84Å; L166-W180 HydrophobicContact CD1-CZ3 4.29Å; L166-W180 WeakPolarHBondContact O-CZ2 3.46Å; C168-W180 HydrophobicContact CB-CH2 3.96Å; C168-W180 HydrophobicContact CB-CZ2 3.57Å; W180-L187 HydrophobicContact CB-CB 4.1Å; W180-L187 HydrophobicContact CB-CD2 4.14Å; W180-L187 WeakPolarHBondContact O-CB 3.26Å; W180-L187 PolarHBondContact O-N 3.45Å; W180-L195 HydrophobicContact CG-CD2 4.05Å; W180-Q199 PolarHBondContact NE1-O 2.93Å; W180-K200 WeakPolarHBondContact CZ2-O 3.39Å; W180-L202 HydrophobicContact CB-CD2 4.44Å; W180-L202 HydrophobicContact CD2-CB 3.83Å; W180-L202 HydrophobicContact CD2-CD2 4.1Å; W180-L202 HydrophobicContact CE3-CB 4.25Å; W180-L202 HydrophobicContact CE3-CD2 4Å; W180-L202 HydrophobicContact CG-CB 4.21Å; W180-L202 HydrophobicContact CG-CD2 4.31Å; W180-L202 HydrophobicContact CH2-CB 4.41Å; W180-L202 HydrophobicContact CZ2-CB 4Å; W180-C217 HydrophobicContact CD2-CB 4.2Å; W180-C217 HydrophobicContact CE3-CB 4.14Å; W180-C217 HydrophobicContact CH2-CB 4.41Å; W180-C217 HydrophobicContact CZ2-CB 4.48Å; W180-C217 HydrophobicContact CZ3-CB 4.24Å |
| 181 | F | 97.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 73.8 Ų | 73.8 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.5 | 179.8 | -63.3 | -102 | 0 | 0 | 0 | 110.4 | K179 K185 P186 Y215 S216 T218 | K179-F181 HydrophobicContact CB-CE2 3.8Å; K179-F181 HydrophobicContact CB-CZ 4.37Å; F181-K185 CarbonylContact C-O 3.54Å; F181-K185 WeakPolarHBondContact CA-O 3.05Å; F181-K185 WeakPolarHBondContact CB-O 3.47Å; F181-P186 HydrophobicContact CD1-CG 4.3Å; F181-P186 HydrophobicContact CE1-CB 4.42Å; F181-P186 HydrophobicContact CE1-CG 3.9Å; F181-Y215 WeakPolarHBondContact O-CA 3.37Å; F181-S216 WeakPolarHBondContact CB-OG 3.18Å; F181-S216 PolarHBondContact N-O 2.86Å; F181-S216 PolarHBondContact O-N 2.93Å; F181-T218 WeakPolarHBondContact CE2-OG1 3.32Å |
| 182 | K | 96.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.4 | 174.3 | -179 | -173.4 | 176 | -171.7 | 0 | 108.4 | G184 K185 L187 F193 T210 D211 D213 I214 Y215 | K182-G184 PolarHBondContact O-N 2.93Å; K182-K185 PolarHBondContact N-O 3.38Å; K182-K185 PolarHBondContact O-N 3.28Å; K182-L187 HydrophobicContact CB-CD1 4.04Å; K182-F193 HydrophobicContact CD-CE2 4.19Å; K182-F193 HydrophobicContact CD-CZ 4.13Å; K182-T210 PolarHBondContact NZ-O 2.73Å; K182-D211 IonicContact NZ-OD1 2.95Å; K182-D213 HydrophobicContact CD-CB 4.41Å; K182-D213 HydrophobicContact CG-CB 3.81Å; K182-D213 WeakPolarHBondContact CG-OD2 3.29Å; K182-I214 WeakPolarHBondContact CA-O 3.41Å; K182-Y215 HydrophobicContact CB-CD1 4.32Å; K182-Y215 HydrophobicContact CB-CE1 4.06Å; K182-Y215 HydrophobicContact CD-CE1 4.18Å; K182-Y215 HydrophobicContact CG-CE1 3.96Å; K182-Y215 HydrophobicContact CG-CE2 4.39Å |
| 183 | G | 95.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 65 Ų | 65 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 30.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | K185 D213 I214 | G183-K185 VanDerWaalsContact C-N 3.26Å; G183-K185 PolarHBondContact O-N 2.96Å; G183-D213 WeakPolarHBondContact CA-OD1 3.02Å; G183-D213 PolarHBondContact N-OD2 2.84Å; G183-I214 PolarHBondContact N-O 2.96Å |
| 184 | G | 94.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 69.5 Ų | 69.5 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K182 | K182-G184 PolarHBondContact O-N 2.93Š|
| 185 | K | 95.4 | Very high | 94 | Very high | 157 Ų | 157 | 71.9 Ų | 71.9 | 68% | 0.683 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 150.6 | 176.7 | -65.7 | -179.9 | -177.7 | 177.4 | 0 | 110.8 | F181 K182 G183 L187 | F181-K185 CarbonylContact C-O 3.54Å; F181-K185 WeakPolarHBondContact CA-O 3.05Å; F181-K185 WeakPolarHBondContact CB-O 3.47Å; K182-K185 PolarHBondContact N-O 3.38Å; K182-K185 PolarHBondContact O-N 3.28Å; G183-K185 VanDerWaalsContact C-N 3.26Å; G183-K185 PolarHBondContact O-N 2.96Å; K185-L187 PolarHBondContact O-N 3Å |
| 186 | P | 95.7 | Very high | 94.1 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 139.7 | 171.3 | -24.2 | 33.2 | 0 | 0 | 0 | 110.4 | F181 A188 | F181-P186 HydrophobicContact CD1-CG 4.3Å; F181-P186 HydrophobicContact CE1-CB 4.42Å; F181-P186 HydrophobicContact CE1-CG 3.9Å; P186-A188 PolarHBondContact O-N 3.27Å |
| 187 | L | 94.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 71.2 Ų | 71.2 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 126.4 | -178.7 | -166 | 73.7 | 0 | 0 | 0 | 110.2 | W180 K182 K185 F193 L202 | W180-L187 HydrophobicContact CB-CB 4.1Å; W180-L187 HydrophobicContact CB-CD2 4.14Å; W180-L187 WeakPolarHBondContact O-CB 3.26Å; W180-L187 PolarHBondContact O-N 3.45Å; K182-L187 HydrophobicContact CB-CD1 4.04Å; K185-L187 PolarHBondContact O-N 3Å; L187-F193 HydrophobicContact CD1-CD2 3.52Å; L187-F193 HydrophobicContact CD1-CE2 3.66Å; L187-F193 HydrophobicContact CD1-CG 4.27Å; L187-F193 HydrophobicContact CD1-CZ 4.5Å; L187-F193 HydrophobicContact CD2-CB 4.04Å; L187-F193 HydrophobicContact CD2-CD2 4.11Å; L187-F193 HydrophobicContact CD2-CG 4.31Å; L187-F193 HydrophobicContact CG-CD2 3.71Å; L187-F193 HydrophobicContact CG-CE2 4.31Å; L187-F193 HydrophobicContact CG-CG 4.39Å; L187-L202 HydrophobicContact CD1-CD2 4Å; L187-L202 HydrophobicContact CD2-CD1 3.5Å; L187-L202 HydrophobicContact CD2-CD2 3.82Å; L187-L202 HydrophobicContact CD2-CG 4.29Å |
| 188 | A | 88.9 | Confident | 93.7 | Very high | 55 Ų | 55 | 72.2 Ų | 72.2 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65 | 144.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P186 E190 | P186-A188 PolarHBondContact O-N 3.27Å; A188-E190 HydrophobicContact CB-CG 4.18Å; A188-E190 PolarHBondContact O-N 3.01Å |
| 189 | N | 83.4 | Confident | 93.6 | Very high | 173 Ų | 173 | 75.7 Ų | 75.7 | 93% | 0.925 | 43% | 0.429 | S | S | * | . | trans | -76 | 80.6 | 174.7 | -166.5 | 7.2 | 0 | 0 | 0 | 109.5 | ||||
| 190 | E | 88.4 | Confident | 93.5 | Very high | 73 Ų | 73 | 73.3 Ų | 73.3 | 34% | 0.341 | 42% | 0.419 | S | S | . | . | trans | -103.5 | 139.7 | 175.6 | -69.4 | -177.3 | -151.7 | 0 | 0 | 109.8 | A188 R192 F193 | A188-E190 HydrophobicContact CB-CG 4.18Å; A188-E190 PolarHBondContact O-N 3.01Å; E190-R192 PolarHBondContact O-N 2.03Å; E190-R192 IonicContact OE2-CZ 3.61Å; E190-R192 IonicContact OE2-NE 3.39Å; E190-R192 IonicContact OE2-NH2 3.59Å; E190-R192 PolarHBondContact OE2-NH2 2.89Å; E190-F193 HydrophobicContact CB-CD2 4.12Å; E190-F193 HydrophobicContact CB-CG 4.39Å; E190-F193 HydrophobicContact CG-CD2 4.46Å; E190-F193 PolarHBondContact O-N 3.11Å | ||
| 191 | T | 88.6 | Confident | 93.4 | Very high | 137 Ų | 137 | 73.2 Ų | 73.2 | 84% | 0.84 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.3 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 192 | R | 94.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 71.1 Ų | 71.1 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -26 | 177.8 | -64.9 | -175 | -51.8 | 105.5 | 6.9 | 113.5 | E190 S205 R206 D211 | E190-R192 PolarHBondContact O-N 2.03Å; E190-R192 IonicContact OE2-CZ 3.61Å; E190-R192 IonicContact OE2-NE 3.39Å; E190-R192 IonicContact OE2-NH2 3.59Å; E190-R192 PolarHBondContact OE2-NH2 2.89Å; R192-S205 VanDerWaalsContact CA-OG 3.26Å; R192-S205 WeakPolarHBondContact CA-OG 3.38Å; R192-S205 PolarHBondContact O-N 3.03Å; R192-S205 PolarHBondContact O-OG 2.85Å; R192-R206 PolarHBondContact NH1-O 3.1Å; R192-D211 IonicContact CZ-OD1 3.17Å; R192-D211 IonicContact CZ-OD2 2.73Å; R192-D211 IonicContact NH1-OD1 3.39Å; R192-D211 IonicContact NH1-OD2 2.77Å; R192-D211 PolarHBondContact NH1-OD2 2.92Å; R192-D211 IonicContact NH2-OD1 3.77Å; R192-D211 PolarHBondContact NH2-OD1 2.74Å; R192-D211 IonicContact NH2-OD2 3.94Å |
| 193 | F | 95.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 7% | 0.07 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.4 | 179.3 | -69 | -18.1 | 0 | 0 | 0 | 109.3 | K182 L187 E190 L202 I204 | K182-F193 HydrophobicContact CD-CE2 4.19Å; K182-F193 HydrophobicContact CD-CZ 4.13Å; L187-F193 HydrophobicContact CD1-CD2 3.52Å; L187-F193 HydrophobicContact CD1-CE2 3.66Å; L187-F193 HydrophobicContact CD1-CG 4.27Å; L187-F193 HydrophobicContact CD1-CZ 4.5Å; L187-F193 HydrophobicContact CD2-CB 4.04Å; L187-F193 HydrophobicContact CD2-CD2 4.11Å; L187-F193 HydrophobicContact CD2-CG 4.31Å; L187-F193 HydrophobicContact CG-CD2 3.71Å; L187-F193 HydrophobicContact CG-CE2 4.31Å; L187-F193 HydrophobicContact CG-CG 4.39Å; E190-F193 HydrophobicContact CB-CD2 4.12Å; E190-F193 HydrophobicContact CB-CG 4.39Å; E190-F193 HydrophobicContact CG-CD2 4.46Å; E190-F193 PolarHBondContact O-N 3.11Å; F193-L202 HydrophobicContact CB-CD1 3.99Å; F193-L202 HydrophobicContact CG-CD1 4.4Å; F193-I204 HydrophobicContact CD1-CB 4.24Å; F193-I204 HydrophobicContact CD1-CG1 3.83Å; F193-I204 HydrophobicContact CD1-CG2 4Å; F193-I204 HydrophobicContact CE1-CB 4.27Å; F193-I204 HydrophobicContact CE1-CD1 4.11Å; F193-I204 HydrophobicContact CE1-CG1 3.8Å; F193-I204 HydrophobicContact CE1-CG2 3.71Å |
| 194 | M | 94.8 | Very high | 93.3 | Very high | 112 Ų | 112 | 69 Ų | 69 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.5 | -177.4 | -61 | -178.3 | 65.5 | 0 | 0 | 109.4 | T203 | M194-T203 PolarHBondContact N-O 3.07Å; M194-T203 PolarHBondContact O-N 2.9Å |
| 195 | L | 94.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 67 Ų | 67 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.6 | 171.1 | -69.9 | 169.7 | 0 | 0 | 0 | 109.9 | W180 C201 L202 | W180-L195 HydrophobicContact CG-CD2 4.05Å; L195-C201 WeakPolarHBondContact CA-O 3.35Å; L195-L202 HydrophobicContact CD2-CB 4.06Å; L195-L202 HydrophobicContact CD2-CD1 4.14Å |
| 196 | S | 94.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | trans | -62.7 | 162.6 | 168.2 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | D198 Q199 K200 C201 | S196-D198 VanDerWaalsContact CB-OD1 3.23Å; S196-D198 WeakPolarHBondContact CB-OD1 3.31Å; S196-D198 PolarHBondContact O-N 3.19Å; S196-D198 PolarHBondContact OG-OD1 2.99Å; S196-Q199 WeakPolarHBondContact O-CA 3.37Å; S196-Q199 PolarHBondContact O-N 3.21Å; S196-K200 PolarHBondContact OG-N 2.96Å; S196-C201 PolarHBondContact N-O 3.11Å; S196-C201 PolarHBondContact OG-N 2.98Å; S196-C201 PolarHBondContact OG-O 3.36Å | ||
| 197 | P | 92.8 | Very high | 93.2 | Very high | 135 Ų | 135 | 62 Ų | 62 | 88% | 0.877 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.2 | 179.2 | -26.9 | 35.7 | 0 | 0 | 0 | 114.2 | Q199 | P197-Q199 VanDerWaalsContact C-N 3.3Š|
| 198 | D | 92.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.2 | 174.7 | 66.6 | -10.8 | 0 | 0 | 0 | 113.5 | S196 K200 | S196-D198 VanDerWaalsContact CB-OD1 3.23Å; S196-D198 WeakPolarHBondContact CB-OD1 3.31Å; S196-D198 PolarHBondContact O-N 3.19Å; S196-D198 PolarHBondContact OG-OD1 2.99Å; D198-K200 HydrophobicContact CB-CB 4.5Å; D198-K200 VanDerWaalsContact CG-CB 3.44Å; D198-K200 PolarHBondContact O-N 2.94Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 2.51Å; D198-K200 VanDerWaalsContact OD2-CB 3.29Å; D198-K200 WeakPolarHBondContact OD2-CB 3.29Å |
| 199 | Q | 94.5 | Very high | 93.5 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 59.3 | 7.4 | -177.5 | -58.1 | 175.4 | -22.7 | 0 | 0 | 114.8 | Y178 W180 S196 P197 | Y178-Q199 WeakPolarHBondContact CB-O 3.45Å; Y178-Q199 PolarHBondContact O-OE1 3.42Å; Y178-Q199 VanDerWaalsContact O-OE1 3.07Å; W180-Q199 PolarHBondContact NE1-O 2.93Å; S196-Q199 WeakPolarHBondContact O-CA 3.37Å; S196-Q199 PolarHBondContact O-N 3.21Å; P197-Q199 VanDerWaalsContact C-N 3.3Å |
| 200 | K | 95 | Very high | 94 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | trans | -72.1 | -32.9 | -176.4 | -169.8 | 176.8 | 179.1 | 174.5 | 0 | 112.6 | N167 C168 S169 Y178 W180 S196 D198 | N167-K200 WeakPolarHBondContact OD1-CE 3.26Å; C168-K200 PolarHBondContact N-O 2.85Å; C168-K200 WeakPolarHBondContact O-CE 3.43Å; C168-K200 WeakPolarHBondContact O-CG 3.18Å; S169-K200 VanDerWaalsContact OG-CE 3.22Å; S169-K200 WeakPolarHBondContact OG-CE 3.48Å; Y178-K200 HydrophobicContact CD1-CG 4.39Å; Y178-K200 HydrophobicContact CD2-CB 4.48Å; Y178-K200 HydrophobicContact CE1-CB 4.46Å; Y178-K200 HydrophobicContact CE1-CG 3.92Å; Y178-K200 HydrophobicContact CE2-CB 4.42Å; Y178-K200 HydrophobicContact CE2-CG 4.46Å; W180-K200 WeakPolarHBondContact CZ2-O 3.39Å; S196-K200 PolarHBondContact OG-N 2.96Å; D198-K200 HydrophobicContact CB-CB 4.5Å; D198-K200 VanDerWaalsContact CG-CB 3.44Å; D198-K200 PolarHBondContact O-N 2.94Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 2.51Å; D198-K200 VanDerWaalsContact OD2-CB 3.29Å; D198-K200 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 201 | C | 95.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.5 | -178.9 | -58.7 | 0 | 0 | 0 | 0 | 111 | V165 L166 L195 S196 C365 | V165-C201 HydrophobicContact CG1-CB 4.44Å; L166-C201 CarbonylContact O-C 3.47Å; L166-C201 WeakPolarHBondContact O-CA 3.47Å; L195-C201 WeakPolarHBondContact CA-O 3.35Å; S196-C201 PolarHBondContact N-O 3.11Å; S196-C201 PolarHBondContact OG-N 2.98Å; S196-C201 PolarHBondContact OG-O 3.36Å; C201-C365 HydrophobicContact CB-CB 3.63Å; C201-C365 WeakPolarHBondContact CB-SG 3.17Å; C201-C365 WeakPolarHBondContact SG-CB 3.44Å; C201-C365 CovalentContact SG-SG 2.03Å; C201-C365 PolarHBondContact SG-SG 3.04Å |
| 202 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.3 | 169.7 | 169.5 | 58.3 | 0 | 0 | 0 | 109.1 | V165 L166 W180 L187 F193 L195 I204 Y215 | V165-L202 WeakPolarHBondContact CA-O 3.33Å; L166-L202 HydrophobicContact CB-CB 4.3Å; L166-L202 HydrophobicContact CD1-CD2 4.07Å; L166-L202 HydrophobicContact CD1-CG 4.49Å; L166-L202 PolarHBondContact N-O 3.02Å; L166-L202 PolarHBondContact O-N 2.83Å; W180-L202 HydrophobicContact CB-CD2 4.44Å; W180-L202 HydrophobicContact CD2-CB 3.83Å; W180-L202 HydrophobicContact CD2-CD2 4.1Å; W180-L202 HydrophobicContact CE3-CB 4.25Å; W180-L202 HydrophobicContact CE3-CD2 4Å; W180-L202 HydrophobicContact CG-CB 4.21Å; W180-L202 HydrophobicContact CG-CD2 4.31Å; W180-L202 HydrophobicContact CH2-CB 4.41Å; W180-L202 HydrophobicContact CZ2-CB 4Å; L187-L202 HydrophobicContact CD1-CD2 4Å; L187-L202 HydrophobicContact CD2-CD1 3.5Å; L187-L202 HydrophobicContact CD2-CD2 3.82Å; L187-L202 HydrophobicContact CD2-CG 4.29Å; F193-L202 HydrophobicContact CB-CD1 3.99Å; F193-L202 HydrophobicContact CG-CD1 4.4Å; L195-L202 HydrophobicContact CD2-CB 4.06Å; L195-L202 HydrophobicContact CD2-CD1 4.14Å; L202-I204 HydrophobicContact CG-CG1 4.41Å; L202-Y215 HydrophobicContact CD2-CD1 4.1Å; L202-Y215 HydrophobicContact CD2-CE1 4.07Å |
| 203 | T | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122 | 172.3 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | N163 F164 V165 M194 | N163-T203 HydrophobicContact CB-CG2 4.28Å; F164-T203 WeakPolarHBondContact O-CA 3.4Å; V165-T203 HydrophobicContact CG2-CG2 4.2Å; M194-T203 PolarHBondContact N-O 3.07Å; M194-T203 PolarHBondContact O-N 2.9Å |
| 204 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.9 | 172.5 | -54.6 | 175.5 | 0 | 0 | 0 | 107.5 | F164 L166 F193 L202 V207 Y215 L233 | F164-I204 HydrophobicContact CD1-CD1 4.43Å; F164-I204 PolarHBondContact N-O 2.8Å; F164-I204 PolarHBondContact O-N 2.99Å; L166-I204 HydrophobicContact CD1-CD1 4.35Å; F193-I204 HydrophobicContact CD1-CB 4.24Å; F193-I204 HydrophobicContact CD1-CG1 3.83Å; F193-I204 HydrophobicContact CD1-CG2 4Å; F193-I204 HydrophobicContact CE1-CB 4.27Å; F193-I204 HydrophobicContact CE1-CD1 4.11Å; F193-I204 HydrophobicContact CE1-CG1 3.8Å; F193-I204 HydrophobicContact CE1-CG2 3.71Å; L202-I204 HydrophobicContact CG-CG1 4.41Å; I204-V207 HydrophobicContact CB-CG2 4.49Å; I204-V207 HydrophobicContact CG2-CG2 4.05Å; I204-Y215 HydrophobicContact CD1-CE1 4.13Å; I204-L233 HydrophobicContact CD1-CD2 4Å |
| 205 | S | 94.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 53 Ų | 53 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.7 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | E162 R192 | E162-S205 CarbonylContact O-C 3.53Å; E162-S205 WeakPolarHBondContact O-CA 3.26Å; R192-S205 VanDerWaalsContact CA-OG 3.26Å; R192-S205 WeakPolarHBondContact CA-OG 3.38Å; R192-S205 PolarHBondContact O-N 3.03Å; R192-S205 PolarHBondContact O-OG 2.85Å |
| 206 | R | 94.4 | Very high | 95.1 | Very high | 150 Ų | 150 | 50.1 Ų | 50.1 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 46 | 74.9 | -176.5 | -66 | -173.1 | -69 | 166 | -3.9 | 111.8 | S161 E162 R192 L208 | S161-R206 VanDerWaalsContact O-CA 3.26Å; S161-R206 WeakPolarHBondContact O-CA 3.3Å; S161-R206 PolarHBondContact O-N 2.67Å; E162-R206 PolarHBondContact O-N 3.06Å; R192-R206 PolarHBondContact NH1-O 3.1Å; R206-L208 PolarHBondContact O-N 2.75Å |
| 207 | V | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -58.9 | 132.4 | -175.5 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | V157 L160 S161 F164 I204 D211 V235 | V157-V207 HydrophobicContact CG1-CG1 3.78Å; V157-V207 HydrophobicContact CG1-CG2 4.45Å; V157-V207 HydrophobicContact CG2-CG2 4.24Å; L160-V207 PolarHBondContact N-O 2.81Å; S161-V207 PolarHBondContact O-N 3.34Å; F164-V207 HydrophobicContact CB-CG2 3.82Å; I204-V207 HydrophobicContact CB-CG2 4.49Å; I204-V207 HydrophobicContact CG2-CG2 4.05Å; V207-D211 HydrophobicContact CG1-CB 4.33Å; V207-V235 HydrophobicContact CG1-CG1 3.91Å; V207-V235 HydrophobicContact CG1-CG2 3.81Å | ||
| 208 | L | 94.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | trans | -114.3 | 160.9 | 178.4 | -59 | 178.7 | 0 | 0 | 0 | 111.3 | R206 T210 D211 | R206-L208 PolarHBondContact O-N 2.75Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.15Å; L208-D211 PolarHBondContact N-OD2 2.8Å; L208-D211 WeakPolarHBondContact O-CB 3.28Å; L208-D211 PolarHBondContact O-N 3.49Å | ||
| 209 | M | 94 | Very high | 95.7 | Very high | 75 Ų | 75 | 39 Ų | 39 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -58.3 | -27.1 | 174.1 | -69.4 | -60.1 | -55.3 | 0 | 0 | 113.4 | E159 D211 E212 V235 R237 | E159-M209 HydrophobicContact CG-CG 4.31Å; E159-M209 WeakPolarHBondContact OE1-CG 3.42Å; M209-D211 PolarHBondContact O-N 2.92Å; M209-E212 PolarHBondContact O-N 2.92Å; M209-V235 VanDerWaalsContact CE-O 3.29Å; M209-V235 WeakPolarHBondContact CE-O 3.37Å; M209-V235 HydrophobicContact SD-CB 4.24Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; M209-R237 HydrophobicContact CE-CG 4.39Å; M209-R237 HydrophobicContact CG-CG 3.98Å; M209-R237 HydrophobicContact SD-CG 3.51Å; M209-R237 VanDerWaalsContact SD-CG 3.51Å |
| 210 | T | 93.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 38 Ų | 38 | 61% | 0.607 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -73.4 | -9.4 | 176 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | K182 L208 E212 | K182-T210 PolarHBondContact NZ-O 2.73Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.15Å; T210-E212 VanDerWaalsContact C-N 3.35Å |
| 211 | D | 94.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -86.7 | -7.9 | 175.2 | -57.1 | -36 | 0 | 0 | 0 | 112.4 | K182 R192 V207 L208 M209 D213 Y215 | K182-D211 IonicContact NZ-OD1 2.95Å; R192-D211 IonicContact CZ-OD1 3.17Å; R192-D211 IonicContact CZ-OD2 2.73Å; R192-D211 IonicContact NH1-OD1 3.39Å; R192-D211 IonicContact NH1-OD2 2.77Å; R192-D211 PolarHBondContact NH1-OD2 2.92Å; R192-D211 IonicContact NH2-OD1 3.77Å; R192-D211 PolarHBondContact NH2-OD1 2.74Å; R192-D211 IonicContact NH2-OD2 3.94Å; V207-D211 HydrophobicContact CG1-CB 4.33Å; L208-D211 PolarHBondContact N-OD2 2.8Å; L208-D211 WeakPolarHBondContact O-CB 3.28Å; L208-D211 PolarHBondContact O-N 3.49Å; M209-D211 PolarHBondContact O-N 2.92Å; D211-D213 PolarHBondContact O-N 2.91Å; D211-Y215 WeakPolarHBondContact O-CE2 3.32Å; D211-Y215 PolarHBondContact O-OH 3.42Å; D211-Y215 VanDerWaalsContact O-OH 3.08Å |
| 212 | E | 96.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | trans | -65.3 | 106.5 | 167.9 | 172.4 | 159.5 | 153.4 | 0 | 0 | 109.9 | M209 T210 R232 L233 V235 | M209-E212 PolarHBondContact O-N 2.92Å; T210-E212 VanDerWaalsContact C-N 3.35Å; E212-R232 IonicContact OE1-CZ 3.63Å; E212-R232 IonicContact OE1-NH2 2.71Å; E212-R232 PolarHBondContact OE1-NH2 2.86Å; E212-L233 WeakPolarHBondContact CA-O 3.38Å; E212-L233 WeakPolarHBondContact CG-O 3.4Å; E212-V235 HydrophobicContact CB-CB 4.18Å; E212-V235 HydrophobicContact CB-CG2 3.97Å; E212-V235 PolarHBondContact OE2-N 2.81Å | ||
| 213 | D | 96.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | -179 | -179.2 | -148.3 | -26.7 | 0 | 0 | 0 | 111.1 | K182 G183 D211 Y215 L233 | K182-D213 HydrophobicContact CD-CB 4.41Å; K182-D213 HydrophobicContact CG-CB 3.81Å; K182-D213 WeakPolarHBondContact CG-OD2 3.29Å; G183-D213 WeakPolarHBondContact CA-OD1 3.02Å; G183-D213 PolarHBondContact N-OD2 2.84Å; D211-D213 PolarHBondContact O-N 2.91Å; D213-Y215 HydrophobicContact CB-CE2 4.13Å; D213-L233 PolarHBondContact O-N 3.16Å |
| 214 | I | 97.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 42.2 Ų | 42.2 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.5 | 170.4 | -61.6 | 175 | 0 | 0 | 0 | 109.4 | K182 G183 P230 I231 | K182-I214 WeakPolarHBondContact CA-O 3.41Å; G183-I214 PolarHBondContact N-O 2.96Å; I214-P230 HydrophobicContact CG2-CB 3.45Å; I214-P230 VanDerWaalsContact CG2-CB 3.45Å; I214-I231 CarbonylContact C-O 3.58Å; I214-I231 VanDerWaalsContact CA-O 3.24Å; I214-I231 WeakPolarHBondContact CA-O 3.47Å |
| 215 | Y | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.7 | 177.2 | -68.9 | -100.9 | 0 | 0 | 0 | 110.7 | L166 F181 K182 L202 I204 D211 D213 I231 L233 | L166-Y215 HydrophobicContact CD1-CD1 3.69Å; L166-Y215 HydrophobicContact CD1-CD2 4.46Å; L166-Y215 HydrophobicContact CD1-CE1 4.11Å; L166-Y215 HydrophobicContact CD1-CG 3.88Å; F181-Y215 WeakPolarHBondContact O-CA 3.37Å; K182-Y215 HydrophobicContact CB-CD1 4.32Å; K182-Y215 HydrophobicContact CB-CE1 4.06Å; K182-Y215 HydrophobicContact CD-CE1 4.18Å; K182-Y215 HydrophobicContact CG-CE1 3.96Å; K182-Y215 HydrophobicContact CG-CE2 4.39Å; L202-Y215 HydrophobicContact CD2-CD1 4.1Å; L202-Y215 HydrophobicContact CD2-CE1 4.07Å; I204-Y215 HydrophobicContact CD1-CE1 4.13Å; D211-Y215 WeakPolarHBondContact O-CE2 3.32Å; D211-Y215 PolarHBondContact O-OH 3.42Å; D211-Y215 VanDerWaalsContact O-OH 3.08Å; D213-Y215 HydrophobicContact CB-CE2 4.13Å; Y215-I231 PolarHBondContact N-O 2.9Å; Y215-I231 WeakPolarHBondContact O-CG1 3.47Å; Y215-I231 PolarHBondContact O-N 3.08Å; Y215-L233 HydrophobicContact CD2-CB 4.04Å; Y215-L233 HydrophobicContact CE2-CB 3.91Å; Y215-L233 HydrophobicContact CE2-CD2 3.99Å |
| 216 | S | 97.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 49 Ų | 49 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.5 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | F181 | F181-S216 WeakPolarHBondContact CB-OG 3.18Å; F181-S216 PolarHBondContact N-O 2.86Å; F181-S216 PolarHBondContact O-N 2.93Å |
| 217 | C | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.4 | 174.6 | 65 | 0 | 0 | 0 | 0 | 110.2 | I150 C168 K179 W180 T227 S228 | I150-C217 HydrophobicContact CD1-CB 4.3Å; I150-C217 HydrophobicContact CG1-CB 4.39Å; I150-C217 VanDerWaalsContact CG1-SG 3.58Å; C168-C217 HydrophobicContact CB-CB 3.57Å; C168-C217 WeakPolarHBondContact CB-SG 3.23Å; C168-C217 WeakPolarHBondContact SG-CB 3.45Å; C168-C217 CovalentContact SG-SG 2.03Å; C168-C217 PolarHBondContact SG-SG 2.77Å; K179-C217 CarbonylContact O-C 3.5Å; K179-C217 VanDerWaalsContact O-CA 3.31Å; K179-C217 WeakPolarHBondContact O-CA 3.43Å; W180-C217 HydrophobicContact CD2-CB 4.2Å; W180-C217 HydrophobicContact CE3-CB 4.14Å; W180-C217 HydrophobicContact CH2-CB 4.41Å; W180-C217 HydrophobicContact CZ2-CB 4.48Å; W180-C217 HydrophobicContact CZ3-CB 4.24Å; C217-T227 CarbonylContact O-C 3.6Å; C217-T227 WeakPolarHBondContact O-CA 3.41Å; C217-S228 PolarHBondContact N-OG 2.79Å; C217-S228 PolarHBondContact O-N 3.37Å; C217-S228 PolarHBondContact O-OG 2.9Å |
| 218 | T | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.3 | 171.1 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | Y178 K179 F181 N225 M226 T227 | Y178-T218 CarbonylContact C-O 3.55Å; K179-T218 PolarHBondContact N-O 3.17Å; K179-T218 PolarHBondContact O-N 3.15Å; F181-T218 WeakPolarHBondContact CE2-OG1 3.32Å; T218-N225 HydrophobicContact CG2-CB 4.13Å; T218-M226 CarbonylContact C-O 3.5Å; T218-M226 WeakPolarHBondContact CA-O 3.35Å; T218-T227 WeakPolarHBondContact OG1-CG2 3.11Å; T218-T227 PolarHBondContact OG1-OG1 3.44Å |
| 219 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.9 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | I145 P148 T176 T177 Y178 M226 | I145-V219 HydrophobicContact CD1-CB 4.4Å; I145-V219 HydrophobicContact CD1-CG1 3.93Å; I145-V219 HydrophobicContact CG1-CG1 4.27Å; I145-V219 HydrophobicContact CG2-CB 4.06Å; I145-V219 HydrophobicContact CG2-CG1 3.99Å; P148-V219 HydrophobicContact CB-CG2 3.71Å; P148-V219 HydrophobicContact CG-CB 4.39Å; P148-V219 HydrophobicContact CG-CG2 3.85Å; T176-V219 HydrophobicContact CG2-CG1 3.79Å; T177-V219 CarbonylContact O-C 3.56Å; T177-V219 VanDerWaalsContact O-CA 3.31Å; T177-V219 WeakPolarHBondContact O-CA 3.46Å; Y178-V219 HydrophobicContact CD1-CG2 3.67Å; Y178-V219 HydrophobicContact CE1-CG1 4.42Å; Y178-V219 HydrophobicContact CE1-CG2 3.59Å; V219-M226 PolarHBondContact N-O 3.32Å; V219-M226 PolarHBondContact O-N 2.68Å |
| 220 | E | 96.7 | Very high | 96.4 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.7 | -175.8 | 173.8 | -179.8 | 165.9 | 0 | 0 | 110.8 | I145 T176 T177 K179 G224 N225 | I145-E220 VanDerWaalsContact CD1-C 3.44Å; T176-E220 CarbonylContact C-O 3.55Å; T176-E220 VanDerWaalsContact CA-O 3.29Å; T176-E220 WeakPolarHBondContact CA-O 3.39Å; T177-E220 PolarHBondContact N-O 2.83Å; T177-E220 PolarHBondContact O-N 2.9Å; T177-E220 PolarHBondContact OG1-O 3.21Å; K179-E220 IonicContact NZ-OE2 2.73Å; K179-E220 PolarHBondContact NZ-OE2 3.14Å; E220-G224 WeakPolarHBondContact CA-O 3.29Å; E220-N225 HydrophobicContact CB-CB 4.19Å; E220-N225 HydrophobicContact CG-CB 4.47Å |
| 221 | N | 95.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 175.1 | 172.9 | 79.4 | -12.3 | 0 | 0 | 0 | 110 | E143 I145 T174 L223 G224 | E143-N221 PolarHBondContact O-ND2 3.01Å; I145-N221 HydrophobicContact CD1-CB 3.54Å; I145-N221 VanDerWaalsContact CD1-CG 3.48Å; I145-N221 VanDerWaalsContact CD1-N 3.26Å; I145-N221 HydrophobicContact CG1-CB 3.9Å; T174-N221 VanDerWaalsContact O-CB 3.31Å; T174-N221 WeakPolarHBondContact O-CB 3.25Å; N221-L223 PolarHBondContact O-N 3.49Å; N221-L223 VanDerWaalsContact O-N 3.11Å; N221-L223 WeakPolarHBondContact OD1-CA 3.49Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 2.92Å; N221-G224 PolarHBondContact N-O 3.39Å; N221-G224 PolarHBondContact O-N 2.73Å; N221-G224 PolarHBondContact OD1-N 2.95Å; N221-G224 PolarHBondContact OD1-O 3.15Å |
| 222 | P | 94.7 | Very high | 96.6 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.6 | 178.4 | -26.9 | 37.5 | 0 | 0 | 0 | 115.5 | D142 | D142-P222 WeakPolarHBondContact OD2-CG 3.45Š|
| 223 | L | 94.7 | Very high | 96.6 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.1 | 176.6 | -56.9 | -179.7 | 0 | 0 | 0 | 112.4 | A46 D142 P144 N221 | A46-L223 HydrophobicContact CB-CD1 3.68Å; A46-L223 HydrophobicContact CB-CD2 4.24Å; D142-L223 HydrophobicContact CB-CD1 3.89Å; D142-L223 HydrophobicContact CB-CD2 4.42Å; D142-L223 HydrophobicContact CB-CG 3.87Å; D142-L223 WeakPolarHBondContact O-CD1 3.31Å; P144-L223 HydrophobicContact CG-CD1 3.96Å; N221-L223 PolarHBondContact O-N 3.49Å; N221-L223 VanDerWaalsContact O-N 3.11Å; N221-L223 WeakPolarHBondContact OD1-CA 3.49Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 2.92Å |
| 224 | G | 94.8 | Very high | 96.6 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.2 | -154.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | E220 N221 | E220-G224 WeakPolarHBondContact CA-O 3.29Å; N221-G224 PolarHBondContact N-O 3.39Å; N221-G224 PolarHBondContact O-N 2.73Å; N221-G224 PolarHBondContact OD1-N 2.95Å; N221-G224 PolarHBondContact OD1-O 3.15Å |
| 225 | N | 96.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.7 | -174 | 97.2 | 41.4 | 0 | 0 | 0 | 120.8 | T218 E220 | T218-N225 HydrophobicContact CG2-CB 4.13Å; E220-N225 HydrophobicContact CB-CB 4.19Å; E220-N225 HydrophobicContact CG-CB 4.47Å |
| 226 | M | 97.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 135.9 | 156.5 | -160 | 60 | -178.4 | 0 | 0 | 113.4 | I145 R147 P148 T218 V219 | I145-M226 HydrophobicContact CB-CB 4.26Å; I145-M226 HydrophobicContact CG2-CB 3.76Å; R147-M226 HydrophobicContact CB-CE 3.82Å; R147-M226 HydrophobicContact CG-CE 3.85Å; P148-M226 VanDerWaalsContact CD-CG 3.47Å; T218-M226 CarbonylContact C-O 3.5Å; T218-M226 WeakPolarHBondContact CA-O 3.35Å; V219-M226 PolarHBondContact N-O 3.32Å; V219-M226 PolarHBondContact O-N 2.68Å |
| 227 | T | 97.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.6 | 179.9 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | C217 T218 | C217-T227 CarbonylContact O-C 3.6Å; C217-T227 WeakPolarHBondContact O-CA 3.41Å; T218-T227 WeakPolarHBondContact OG1-CG2 3.11Å; T218-T227 PolarHBondContact OG1-OG1 3.44Å |
| 228 | S | 98 | Very high | 95.2 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.1 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | P148 I150 C217 | P148-S228 WeakPolarHBondContact O-CA 3.47Å; P148-S228 VanDerWaalsContact O-CB 3.26Å; P148-S228 WeakPolarHBondContact O-CB 3.28Å; I150-S228 WeakPolarHBondContact CD1-OG 3.48Å; C217-S228 PolarHBondContact N-OG 2.79Å; C217-S228 PolarHBondContact O-N 3.37Å; C217-S228 PolarHBondContact O-OG 2.9Å |
| 229 | L | 96.4 | Very high | 94.5 | Very high | 118 Ų | 118 | 63.7 Ų | 63.7 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 141.4 | 162.4 | -68.6 | 173.4 | 0 | 0 | 0 | 109.5 | ||
| 230 | P | 96.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 139.9 | 176.3 | 26.8 | -32.5 | 0 | 0 | 0 | 110.6 | I214 | I214-P230 HydrophobicContact CG2-CB 3.45Å; I214-P230 VanDerWaalsContact CG2-CB 3.45Å |
| 231 | I | 96.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 65.3 Ų | 65.3 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.1 | 176.7 | 49.7 | 152.5 | 0 | 0 | 0 | 109.8 | I150 M152 L166 I214 Y215 | I150-I231 HydrophobicContact CB-CD1 3.75Å; I150-I231 HydrophobicContact CB-CG1 4.31Å; I150-I231 HydrophobicContact CD1-CD1 3.74Å; I150-I231 HydrophobicContact CD1-CG1 3.76Å; I150-I231 HydrophobicContact CG1-CD1 4.34Å; I150-I231 HydrophobicContact CG2-CD1 3.42Å; I150-I231 VanDerWaalsContact CG2-CD1 3.42Å; I150-I231 HydrophobicContact CG2-CG1 4.46Å; M152-I231 HydrophobicContact CE-CB 3.83Å; M152-I231 HydrophobicContact CE-CD1 3.06Å; M152-I231 HydrophobicContact CE-CG1 3.98Å; M152-I231 HydrophobicContact CE-CG2 4.25Å; L166-I231 HydrophobicContact CD2-CD1 3.7Å; I214-I231 CarbonylContact C-O 3.58Å; I214-I231 VanDerWaalsContact CA-O 3.24Å; I214-I231 WeakPolarHBondContact CA-O 3.47Å; Y215-I231 PolarHBondContact N-O 2.9Å; Y215-I231 WeakPolarHBondContact O-CG1 3.47Å; Y215-I231 PolarHBondContact O-N 3.08Å |
| 232 | R | 96.2 | Very high | 92.1 | Very high | 153 Ų | 153 | 72.4 Ų | 72.4 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.3 | 177.7 | -172.2 | 175.3 | -170.9 | -101.2 | -8.4 | 110.2 | E212 | E212-R232 IonicContact OE1-CZ 3.63Å; E212-R232 IonicContact OE1-NH2 2.71Å; E212-R232 PolarHBondContact OE1-NH2 2.86Å |
| 233 | L | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.7 | 170 | 178.4 | 59.2 | 0 | 0 | 0 | 109.1 | V157 F164 I204 E212 D213 Y215 V235 | V157-L233 HydrophobicContact CB-CD1 4.48Å; V157-L233 HydrophobicContact CG1-CD1 3.79Å; V157-L233 HydrophobicContact CG1-CD2 4.49Å; V157-L233 HydrophobicContact CG1-CG 4.32Å; F164-L233 HydrophobicContact CD1-CD1 4.14Å; F164-L233 HydrophobicContact CD1-CD2 4.04Å; F164-L233 HydrophobicContact CE1-CD1 3.42Å; F164-L233 VanDerWaalsContact CE1-CD1 3.42Å; F164-L233 HydrophobicContact CE1-CD2 3.9Å; F164-L233 HydrophobicContact CE1-CG 4.27Å; F164-L233 HydrophobicContact CE2-CD1 4.16Å; F164-L233 HydrophobicContact CZ-CD1 3.43Å; F164-L233 VanDerWaalsContact CZ-CD1 3.43Å; I204-L233 HydrophobicContact CD1-CD2 4Å; E212-L233 WeakPolarHBondContact CA-O 3.38Å; E212-L233 WeakPolarHBondContact CG-O 3.4Å; D213-L233 PolarHBondContact O-N 3.16Å; Y215-L233 HydrophobicContact CD2-CB 4.04Å; Y215-L233 HydrophobicContact CE2-CB 3.91Å; Y215-L233 HydrophobicContact CE2-CD2 3.99Å; L233-V235 HydrophobicContact CG-CG2 4.42Å |
| 234 | A | 95.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 77.1 Ų | 77.1 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | S155 S156 V157 Y236 | S155-A234 PolarHBondContact O-N 2.79Å; S156-A234 CarbonylContact C-O 3.56Å; S156-A234 VanDerWaalsContact CA-O 3.28Å; S156-A234 WeakPolarHBondContact CA-O 3.01Å; V157-A234 PolarHBondContact N-O 2.86Å; A234-Y236 HydrophobicContact CB-CE2 4.26Å |
| 235 | V | 94.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.7 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109.7 | V157 E159 V207 M209 E212 L233 | V157-V235 HydrophobicContact CG1-CG2 3.97Å; V157-V235 WeakPolarHBondContact O-CA 3.37Å; E159-V235 HydrophobicContact CB-CG1 4.19Å; V207-V235 HydrophobicContact CG1-CG1 3.91Å; V207-V235 HydrophobicContact CG1-CG2 3.81Å; M209-V235 VanDerWaalsContact CE-O 3.29Å; M209-V235 WeakPolarHBondContact CE-O 3.37Å; M209-V235 HydrophobicContact SD-CB 4.24Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; E212-V235 HydrophobicContact CB-CB 4.18Å; E212-V235 HydrophobicContact CB-CG2 3.97Å; E212-V235 PolarHBondContact OE2-N 2.81Å; L233-V235 HydrophobicContact CG-CG2 4.42Å |
| 236 | Y | 92.3 | Very high | 89.9 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.4 | 179.5 | -68.5 | -73.9 | 0 | 0 | 0 | 111.7 | V157 L158 E159 A234 R238 | V157-Y236 PolarHBondContact O-N 2.91Å; L158-Y236 WeakPolarHBondContact CA-O 3.33Å; E159-Y236 PolarHBondContact N-O 2.93Å; A234-Y236 HydrophobicContact CB-CE2 4.26Å; Y236-R238 PolarHBondContact O-N 2.83Å |
| 237 | R | 90.2 | Very high | 89.6 | Confident | 144 Ų | 144 | 79.3 Ų | 79.3 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | trans | -60.2 | 131.5 | 170.7 | -74.3 | -139.1 | -101.9 | 155 | -7.9 | 110.6 | E159 M209 S239 S240 V241 | E159-R237 WeakPolarHBondContact OE2-CD 3.1Å; E159-R237 VanDerWaalsContact OE2-CG 3.27Å; E159-R237 WeakPolarHBondContact OE2-CG 3.13Å; M209-R237 HydrophobicContact CE-CG 4.39Å; M209-R237 HydrophobicContact CG-CG 3.98Å; M209-R237 HydrophobicContact SD-CG 3.51Å; M209-R237 VanDerWaalsContact SD-CG 3.51Å; R237-S239 PolarHBondContact O-N 2.73Å; R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-N 2.99Å; R237-V241 PolarHBondContact O-N 3.09Å | ||
| 238 | R | 83.2 | Confident | 89.3 | Confident | 126 Ų | 126 | 78 Ų | 78 | 48% | 0.475 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.4 | -43.2 | 178.5 | -131.3 | 174.6 | -174.3 | 149.8 | -0.8 | 111.5 | Y236 S240 V241 Y242 | Y236-R238 PolarHBondContact O-N 2.83Å; R238-S240 PolarHBondContact O-N 3.39Å; R238-V241 PolarHBondContact O-N 3.15Å; R238-Y242 WeakPolarHBondContact O-CD2 3.48Å; R238-Y242 PolarHBondContact O-N 3.01Å |
| 239 | S | 83.6 | Confident | 88.9 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 44% | 0.441 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.4 | 55 | 0 | 0 | 0 | 0 | 113.6 | R237 Y242 I243 | R237-S239 PolarHBondContact O-N 2.73Å; S239-Y242 PolarHBondContact O-N 2.86Å; S239-I243 VanDerWaalsContact O-CG1 3.31Å; S239-I243 WeakPolarHBondContact O-CG1 3.44Å; S239-I243 PolarHBondContact O-N 2.85Å |
| 240 | S | 80.5 | Confident | 88.8 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | R237 R238 Y242 I243 M244 | R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-N 2.99Å; R238-S240 PolarHBondContact O-N 3.39Å; S240-Y242 PolarHBondContact O-N 3.39Å; S240-I243 PolarHBondContact O-N 3.09Å; S240-I243 VanDerWaalsContact O-N 3.16Å; S240-M244 VanDerWaalsContact O-CG 3.31Å; S240-M244 WeakPolarHBondContact O-CG 3.3Å; S240-M244 PolarHBondContact O-N 2.94Å |
| 241 | V | 78.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | L158 R237 R238 I243 M244 L245 | L158-V241 HydrophobicContact CD2-CB 4.5Å; L158-V241 HydrophobicContact CD2-CG2 3.65Å; R237-V241 PolarHBondContact O-N 3.09Å; R238-V241 PolarHBondContact O-N 3.15Å; V241-I243 VanDerWaalsContact C-N 3.33Å; V241-I243 PolarHBondContact O-N 3.44Å; V241-M244 PolarHBondContact O-N 3.03Å; V241-L245 HydrophobicContact CG1-CD1 3.92Å; V241-L245 HydrophobicContact CG1-CG 4.34Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 WeakPolarHBondContact O-CG 3.26Å; V241-L245 PolarHBondContact O-N 2.87Å |
| 242 | Y | 80 | Confident | 88.6 | Confident | 162 Ų | 162 | 84.2 Ų | 84.2 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.8 | -39.9 | 173.2 | -75.9 | -73 | 0 | 0 | 0 | 112.5 | R238 S239 S240 S246 | R238-Y242 WeakPolarHBondContact O-CD2 3.48Å; R238-Y242 PolarHBondContact O-N 3.01Å; S239-Y242 PolarHBondContact O-N 2.86Å; S240-Y242 PolarHBondContact O-N 3.39Å; Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.4Å |
| 243 | I | 79.4 | Confident | 88.5 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176 | -66.8 | 164.4 | 0 | 0 | 0 | 110.5 | S239 S240 V241 S246 T247 | S239-I243 VanDerWaalsContact O-CG1 3.31Å; S239-I243 WeakPolarHBondContact O-CG1 3.44Å; S239-I243 PolarHBondContact O-N 2.85Å; S240-I243 PolarHBondContact O-N 3.09Å; S240-I243 VanDerWaalsContact O-N 3.16Å; V241-I243 VanDerWaalsContact C-N 3.33Å; V241-I243 PolarHBondContact O-N 3.44Å; I243-S246 PolarHBondContact O-N 2.87Å; I243-T247 HydrophobicContact CG2-CG2 4.15Å; I243-T247 VanDerWaalsContact O-CB 3.3Å; I243-T247 WeakPolarHBondContact O-CB 3.36Å; I243-T247 WeakPolarHBondContact O-CG2 3.28Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.79Å |
| 244 | M | 80.6 | Confident | 88.5 | Confident | 128 Ų | 128 | 86.5 Ų | 86.5 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65 | -43 | 178.7 | -69.6 | -62 | -69 | 0 | 0 | 112.2 | S240 V241 T247 G248 | S240-M244 VanDerWaalsContact O-CG 3.31Å; S240-M244 WeakPolarHBondContact O-CG 3.3Å; S240-M244 PolarHBondContact O-N 2.94Å; V241-M244 PolarHBondContact O-N 3.03Å; M244-T247 PolarHBondContact O-OG1 3.22Å; M244-G248 PolarHBondContact O-N 3.17Å |
| 245 | L | 86.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 89.7 Ų | 89.7 | 64% | 0.644 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 176.3 | -69.8 | 173.1 | 0 | 0 | 0 | 111.8 | V241 G249 | V241-L245 HydrophobicContact CG1-CD1 3.92Å; V241-L245 HydrophobicContact CG1-CG 4.34Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 WeakPolarHBondContact O-CG 3.26Å; V241-L245 PolarHBondContact O-N 2.87Å; L245-G249 PolarHBondContact O-N 2.83Å |
| 246 | S | 89.4 | Confident | 88.5 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -52.7 | 179 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | Y242 I243 G248 G249 I250 | Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.4Å; I243-S246 PolarHBondContact O-N 2.87Å; S246-G248 PolarHBondContact O-N 2.8Å; S246-G249 PolarHBondContact O-N 2.76Å; S246-I250 WeakPolarHBondContact O-CB 3.47Å; S246-I250 WeakPolarHBondContact O-CD1 3.49Å; S246-I250 WeakPolarHBondContact O-CG1 3.42Å; S246-I250 PolarHBondContact O-N 2.8Å |
| 247 | T | 90.1 | Very high | 88.6 | Confident | 54 Ų | 54 | 92.6 Ų | 92.6 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | I243 M244 G249 I250 F251 | I243-T247 HydrophobicContact CG2-CG2 4.15Å; I243-T247 VanDerWaalsContact O-CB 3.3Å; I243-T247 WeakPolarHBondContact O-CB 3.36Å; I243-T247 WeakPolarHBondContact O-CG2 3.28Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.79Å; M244-T247 PolarHBondContact O-OG1 3.22Å; T247-G249 PolarHBondContact O-N 3.2Å; T247-I250 PolarHBondContact O-N 3.4Å; T247-F251 WeakPolarHBondContact O-CB 3.37Å; T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 WeakPolarHBondContact O-CG 3.29Å; T247-F251 PolarHBondContact O-N 3.27Å |
| 248 | G | 90.8 | Very high | 88.8 | Confident | 28 Ų | 28 | 89 Ų | 89 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M244 S246 F251 I252 | M244-G248 PolarHBondContact O-N 3.17Å; S246-G248 PolarHBondContact O-N 2.8Å; G248-F251 PolarHBondContact O-N 3.01Å; G248-I252 VanDerWaalsContact O-CG1 3.25Å; G248-I252 WeakPolarHBondContact O-CG1 3.38Å; G248-I252 PolarHBondContact O-N 3.26Å |
| 249 | G | 91.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L245 S246 T247 I252 L253 | L245-G249 PolarHBondContact O-N 2.83Å; S246-G249 PolarHBondContact O-N 2.76Å; T247-G249 PolarHBondContact O-N 3.2Å; G249-I252 PolarHBondContact O-N 3.01Å; G249-L253 WeakPolarHBondContact O-CB 3.34Å; G249-L253 PolarHBondContact O-N 2.89Å |
| 250 | I | 93.9 | Very high | 89.7 | Confident | 89 Ų | 89 | 87.7 Ų | 87.7 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.2 | -67.3 | 160.8 | 0 | 0 | 0 | 110.5 | S246 T247 I252 L253 I254 | S246-I250 WeakPolarHBondContact O-CB 3.47Å; S246-I250 WeakPolarHBondContact O-CD1 3.49Å; S246-I250 WeakPolarHBondContact O-CG1 3.42Å; S246-I250 PolarHBondContact O-N 2.8Å; T247-I250 PolarHBondContact O-N 3.4Å; I250-I252 PolarHBondContact O-N 2.91Å; I250-L253 PolarHBondContact O-N 2.79Å; I250-I254 HydrophobicContact CG2-CD1 3.66Å; I250-I254 HydrophobicContact CG2-CG1 4.3Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.32Å; I250-I254 PolarHBondContact O-N 2.77Å |
| 251 | F | 94.3 | Very high | 90.1 | Very high | 136 Ų | 136 | 88.2 Ų | 88.2 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 176.1 | -78 | -64.9 | 0 | 0 | 0 | 111.9 | T247 G248 L253 I254 T255 | T247-F251 WeakPolarHBondContact O-CB 3.37Å; T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 WeakPolarHBondContact O-CG 3.29Å; T247-F251 PolarHBondContact O-N 3.27Å; G248-F251 PolarHBondContact O-N 3.01Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 2.94Å; F251-I254 PolarHBondContact O-N 3.05Å; F251-T255 WeakPolarHBondContact O-CB 3.48Å; F251-T255 VanDerWaalsContact O-CG2 3.25Å; F251-T255 WeakPolarHBondContact O-CG2 3.4Å; F251-T255 PolarHBondContact O-N 2.94Å; F251-T255 PolarHBondContact O-OG1 3.26Å |
| 252 | I | 94.4 | Very high | 90.4 | Very high | 115 Ų | 115 | 91.1 Ų | 91.1 | 59% | 0.59 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 175 | -68.9 | 166.3 | 0 | 0 | 0 | 110.6 | G248 G249 I250 T255 L256 | G248-I252 VanDerWaalsContact O-CG1 3.25Å; G248-I252 WeakPolarHBondContact O-CG1 3.38Å; G248-I252 PolarHBondContact O-N 3.26Å; G249-I252 PolarHBondContact O-N 3.01Å; I250-I252 PolarHBondContact O-N 2.91Å; I252-T255 WeakPolarHBondContact CA-OG1 3.4Å; I252-T255 PolarHBondContact O-N 2.84Å; I252-T255 PolarHBondContact O-OG1 2.76Å; I252-L256 WeakPolarHBondContact O-CB 3.39Å; I252-L256 PolarHBondContact O-N 2.98Å |
| 253 | L | 94.5 | Very high | 90.4 | Very high | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 179 | -168 | 147 | 0 | 0 | 0 | 111.9 | G249 I250 F251 T255 L256 V257 | G249-L253 WeakPolarHBondContact O-CB 3.34Å; G249-L253 PolarHBondContact O-N 2.89Å; I250-L253 PolarHBondContact O-N 2.79Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 2.94Å; L253-T255 PolarHBondContact O-N 2.79Å; L253-L256 PolarHBondContact O-N 2.78Å; L253-V257 HydrophobicContact CD2-CG2 4.03Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.3Å; L253-V257 PolarHBondContact O-N 2.87Å |
| 254 | I | 95.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 93.2 Ų | 93.2 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.3 | -68.1 | 167.3 | 0 | 0 | 0 | 110.6 | I250 F251 L256 V257 T258 | I250-I254 HydrophobicContact CG2-CD1 3.66Å; I250-I254 HydrophobicContact CG2-CG1 4.3Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.32Å; I250-I254 PolarHBondContact O-N 2.77Å; F251-I254 PolarHBondContact O-N 3.05Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.86Å; I254-V257 PolarHBondContact O-N 2.91Å; I254-T258 HydrophobicContact CG2-CG2 4.31Å; I254-T258 WeakPolarHBondContact O-CB 3.16Å; I254-T258 VanDerWaalsContact O-CG2 3.27Å; I254-T258 WeakPolarHBondContact O-CG2 3.37Å; I254-T258 PolarHBondContact O-N 2.86Å; I254-T258 PolarHBondContact O-OG1 3.21Å |
| 255 | T | 94.6 | Very high | 88.8 | Confident | 78 Ų | 78 | 92 Ų | 92 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | F251 I252 L253 T258 V259 | F251-T255 WeakPolarHBondContact O-CB 3.48Å; F251-T255 VanDerWaalsContact O-CG2 3.25Å; F251-T255 WeakPolarHBondContact O-CG2 3.4Å; F251-T255 PolarHBondContact O-N 2.94Å; F251-T255 PolarHBondContact O-OG1 3.26Å; I252-T255 WeakPolarHBondContact CA-OG1 3.4Å; I252-T255 PolarHBondContact O-N 2.84Å; I252-T255 PolarHBondContact O-OG1 2.76Å; L253-T255 PolarHBondContact O-N 2.79Å; T255-T258 VanDerWaalsContact CA-OG1 3.3Å; T255-T258 WeakPolarHBondContact CA-OG1 3.19Å; T255-T258 PolarHBondContact O-OG1 2.8Å; T255-V259 WeakPolarHBondContact O-CB 3.48Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.1Å |
| 256 | L | 95.1 | Very high | 87.4 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -46.4 | 175.8 | -161.8 | 157.4 | 0 | 0 | 0 | 111.6 | I252 L253 I254 T258 V259 C260 | I252-L256 WeakPolarHBondContact O-CB 3.39Å; I252-L256 PolarHBondContact O-N 2.98Å; L253-L256 PolarHBondContact O-N 2.78Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.86Å; L256-T258 PolarHBondContact O-N 2.59Å; L256-V259 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-N 3.15Å; L256-C260 PolarHBondContact O-SG 2.54Å; L256-C260 VanDerWaalsContact O-SG 3.34Å |
| 257 | V | 95.4 | Very high | 85.6 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -43.3 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L253 I254 C260 A261 | L253-V257 HydrophobicContact CD2-CG2 4.03Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.3Å; L253-V257 PolarHBondContact O-N 2.87Å; I254-V257 PolarHBondContact O-N 2.91Å; V257-C260 PolarHBondContact O-N 2.75Å; V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 2.99Å |
| 258 | T | 94.1 | Very high | 83.6 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 43% | 0.429 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.5 | -42.4 | 177.5 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | I254 T255 L256 C260 A261 C262 | I254-T258 HydrophobicContact CG2-CG2 4.31Å; I254-T258 WeakPolarHBondContact O-CB 3.16Å; I254-T258 VanDerWaalsContact O-CG2 3.27Å; I254-T258 WeakPolarHBondContact O-CG2 3.37Å; I254-T258 PolarHBondContact O-N 2.86Å; I254-T258 PolarHBondContact O-OG1 3.21Å; T255-T258 VanDerWaalsContact CA-OG1 3.3Å; T255-T258 WeakPolarHBondContact CA-OG1 3.19Å; T255-T258 PolarHBondContact O-OG1 2.8Å; L256-T258 PolarHBondContact O-N 2.59Å; T258-C260 PolarHBondContact O-N 2.66Å; T258-A261 PolarHBondContact O-N 3.16Å; T258-C262 WeakPolarHBondContact O-CB 3.28Å; T258-C262 PolarHBondContact O-N 3.13Å; T258-C262 PolarHBondContact O-SG 2.83Å |
| 259 | V | 94.6 | Very high | 81.6 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.1 | -46.3 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | T255 L256 A261 C262 W263 | T255-V259 WeakPolarHBondContact O-CB 3.48Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.1Å; L256-V259 PolarHBondContact O-N 3.05Å; V259-A261 PolarHBondContact O-N 2.91Å; V259-C262 PolarHBondContact O-N 3.36Å; V259-W263 HydrophobicContact CG1-CE3 4.07Å; V259-W263 HydrophobicContact CG1-CZ3 4.42Å; V259-W263 WeakPolarHBondContact O-CB 3.24Å; V259-W263 PolarHBondContact O-N 3.11Å |
| 260 | C | 91.3 | Very high | 79.5 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 53% | 0.527 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.9 | -39 | 177.7 | -70.5 | 0 | 0 | 0 | 0 | 113.3 | L256 V257 T258 W263 | L256-C260 PolarHBondContact O-N 3.15Å; L256-C260 PolarHBondContact O-SG 2.54Å; L256-C260 VanDerWaalsContact O-SG 3.34Å; V257-C260 PolarHBondContact O-N 2.75Å; T258-C260 PolarHBondContact O-N 2.66Å; C260-W263 PolarHBondContact O-N 3.5Å |
| 261 | A | 89.1 | Confident | 76.7 | Confident | 64 Ų | 64 | 119.1 Ų | 119.1 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.8 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V257 T258 V259 W263 | V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 2.99Å; T258-A261 PolarHBondContact O-N 3.16Å; V259-A261 PolarHBondContact O-N 2.91Å; A261-W263 PolarHBondContact O-N 3.09Å |
| 262 | C | 84.9 | Confident | 73.9 | Confident | 109 Ų | 109 | 123.5 Ų | 123.5 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.4 | -21 | 172 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | T258 V259 T264 | T258-C262 WeakPolarHBondContact O-CB 3.28Å; T258-C262 PolarHBondContact O-N 3.13Å; T258-C262 PolarHBondContact O-SG 2.83Å; V259-C262 PolarHBondContact O-N 3.36Å; C262-T264 PolarHBondContact O-N 2.96Å |
| 263 | W | 80.4 | Confident | 71.2 | Confident | 202 Ų | 202 | 127.6 Ų | 127.6 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 34.9 | 175.6 | -146.6 | -40.5 | 0 | 0 | 0 | 113.3 | V259 C260 A261 P265 | V259-W263 HydrophobicContact CG1-CE3 4.07Å; V259-W263 HydrophobicContact CG1-CZ3 4.42Å; V259-W263 WeakPolarHBondContact O-CB 3.24Å; V259-W263 PolarHBondContact O-N 3.11Å; C260-W263 PolarHBondContact O-N 3.5Å; A261-W263 PolarHBondContact O-N 3.09Å; W263-P265 VanDerWaalsContact O-CD 3.26Å; W263-P265 WeakPolarHBondContact O-CD 3.41Å |
| 264 | T | 67.5 | Low | 68.4 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -65.2 | 118.3 | 165.8 | 40.2 | 0 | 0 | 0 | 0 | 108.2 | C262 S266 | C262-T264 PolarHBondContact O-N 2.96Å; T264-S266 PolarHBondContact O-N 3.48Å; T264-S266 VanDerWaalsContact O-N 3.1Å | ||
| 265 | P | 58.6 | Low | 65.5 | Low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | trans | -63.6 | 121.6 | 177.8 | 25.1 | -30.2 | 0 | 0 | 0 | 106.9 | W263 K267 | W263-P265 VanDerWaalsContact O-CD 3.26Å; W263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-K267 VanDerWaalsContact C-N 3.3Å; P265-K267 PolarHBondContact O-N 2.99Å | ||
| 266 | S | 56.3 | Low | 62.4 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -51.2 | 97.2 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | T264 N268 | T264-S266 PolarHBondContact O-N 3.48Å; T264-S266 VanDerWaalsContact O-N 3.1Å; S266-N268 VanDerWaalsContact C-N 3.3Å; S266-N268 PolarHBondContact O-N 3.12Å | ||
| 267 | K | 50.6 | Low | 59.3 | Low | 186 Ų | 186 | 144.4 Ų | 144.4 | 81% | 0.809 | 73% | 0.733 | S | S | * | * | trans | -69.2 | 98.4 | 167.7 | -73.6 | -174.4 | -179.9 | 179.4 | 0 | 105.1 | P265 L269 | P265-K267 VanDerWaalsContact C-N 3.3Å; P265-K267 PolarHBondContact O-N 2.99Å; K267-L269 VanDerWaalsContact C-N 3.35Å; K267-L269 PolarHBondContact O-N 2.89Å | ||
| 268 | N | 49.9 | Very low | 56.2 | Low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -49.2 | 100.7 | 165.2 | -100.9 | -29.2 | 0 | 0 | 0 | 108.9 | S266 R270 | S266-N268 VanDerWaalsContact C-N 3.3Å; S266-N268 PolarHBondContact O-N 3.12Å; N268-R270 PolarHBondContact O-N 2.97Å | ||
| 269 | L | 48.1 | Very low | 53.3 | Low | 170 Ų | 170 | 154 Ų | 154 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -63.7 | 87.9 | 162.1 | -93.9 | 143.4 | 0 | 0 | 0 | 107.6 | K267 S271 | K267-L269 VanDerWaalsContact C-N 3.35Å; K267-L269 PolarHBondContact O-N 2.89Å; L269-S271 PolarHBondContact O-N 2.74Å | ||
| 270 | R | 46.5 | Very low | 50.4 | Low | 245 Ų | 245 | 158 Ų | 158 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 93.1 | 156.8 | -95.5 | -176.1 | 175 | 178.3 | -0.9 | 107.7 | N268 | N268-R270 PolarHBondContact O-N 2.97Š| ||
| 271 | S | 36.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 165 Ų | 165 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -165.5 | 132.1 | 148.4 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | L269 | L269-S271 PolarHBondContact O-N 2.74Š| ||
| 272 | R | 35.4 | Very low | 44.5 | Very low | 228 Ų | 228 | 165.1 Ų | 165.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 106.1 | 63.7 | 157.2 | -144.6 | 172.8 | -166.6 | 178 | 4.7 | 117.7 | ||||
| 273 | Q | 37.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 167.3 Ų | 167.3 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -106.8 | 71.5 | 147.8 | -154.8 | 174.9 | 9.4 | 0 | 0 | 108.1 | ||||
| 274 | E | 35.7 | Very low | 39.3 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -123.9 | 104.3 | 163.5 | -89.3 | -170.2 | 161.6 | 0 | 0 | 109.6 | R276 | E274-R276 PolarHBondContact O-N 2.92Š| ||
| 275 | T | 33.9 | Very low | 37.5 | Very low | 124 Ų | 124 | 166 Ų | 166 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -13 | 110.7 | 160.5 | 44.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 276 | R | 29.2 | Very low | 36.2 | Very low | 247 Ų | 247 | 169.2 Ų | 169.2 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -97.4 | 91.5 | 149.8 | -164.2 | 175.7 | -175.5 | 179.4 | 0.8 | 108.1 | E274 S278 | E274-R276 PolarHBondContact O-N 2.92Å; R276-S278 PolarHBondContact O-N 2.83Å | ||
| 277 | K | 29.4 | Very low | 34.8 | Very low | 196 Ų | 196 | 173.5 Ų | 173.5 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -67 | 107 | 167.4 | -80.4 | 179.5 | 176.6 | 174.9 | 0 | 108.5 | ||||
| 278 | S | 31 | Very low | 33.6 | Very low | 109 Ų | 109 | 171.4 Ų | 171.4 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -86.5 | 118.6 | 159.1 | 47.2 | 0 | 0 | 0 | 0 | 108.8 | R276 | R276-S278 PolarHBondContact O-N 2.83Š| ||
| 279 | R | 32.8 | Very low | 32.7 | Very low | 243 Ų | 243 | 172.9 Ų | 172.9 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -79.2 | 118.2 | 159.5 | -77 | 180 | -167 | 163.9 | 4 | 107.5 | ||||
| 280 | I | 33.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 173.6 Ų | 173.6 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -141.8 | 128.6 | 148.9 | -61 | -173.7 | 0 | 0 | 0 | 107.3 | ||||
| 281 | Y | 28.8 | Very low | 30.8 | Very low | 227 Ų | 227 | 171.1 Ų | 171.1 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -96.7 | 153.3 | -178.5 | -151.9 | -91 | 0 | 0 | 0 | 109.7 | ||||
| 282 | G | 28.8 | Very low | 30.4 | Very low | 66 Ų | 66 | 174 Ų | 174 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | trans | 129.9 | 73.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 283 | N | 27.4 | Very low | 30.2 | Very low | 155 Ų | 155 | 169.9 Ų | 169.9 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | 62.9 | 99.5 | 84.6 | -160.5 | 41.2 | 0 | 0 | 0 | 113.3 | |||||
| 284 | S | 27.1 | Very low | 29.9 | Very low | 99 Ų | 99 | 166.9 Ų | 166.9 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | -169.7 | 118.3 | 141.6 | -165 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 285 | H | 31.5 | Very low | 29.8 | Very low | 185 Ų | 185 | 165.7 Ų | 165.7 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 70.2 | 120.1 | 158.2 | -66.7 | -60.5 | 0 | 0 | 0 | 122.8 | ||||
| 286 | H | 30.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 167.4 Ų | 167.4 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -123.8 | 124 | 174.4 | -148.9 | -12.1 | 0 | 0 | 0 | 107.6 | ||||
| 287 | K | 26.8 | Very low | 30 | Very low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 176.9 | 103.1 | 136.7 | -105.2 | -176.4 | 174.5 | 179.8 | 0 | 108.4 | ||||
| 288 | Q | 25.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 160.1 Ų | 160.1 | 66% | 0.659 | 80% | 0.804 | S | S | * | * | 66.5 | 106.6 | 86.9 | -83.9 | -102.7 | 32.3 | 0 | 0 | 113.5 | |||||
| 289 | L | 30.7 | Very low | 29.6 | Very low | 180 Ų | 180 | 163.5 Ų | 163.5 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | -152.5 | 134.3 | 116.6 | -110.8 | 133.3 | 0 | 0 | 0 | 109.8 | |||||
| 290 | K | 27.1 | Very low | 29.2 | Very low | 184 Ų | 184 | 163 Ų | 163 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -106.4 | 122.7 | -171.1 | -167.2 | -174.3 | -169.3 | -175 | 0 | 106.6 | ||||
| 291 | Q | 26.8 | Very low | 29 | Very low | 193 Ų | 193 | 162.9 Ų | 162.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -151.3 | 134.9 | 149 | -162.6 | 157.7 | -7.5 | 0 | 0 | 109.6 | ||||
| 292 | K | 28.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 159 Ų | 159 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 145.7 | -174.7 | -164.2 | -178.4 | -178.2 | -174.8 | 0 | 107.8 | ||||
| 293 | D | 32.7 | Very low | 29.2 | Very low | 142 Ų | 142 | 162.6 Ų | 162.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | -178 | 161 | 123.9 | -80.1 | -18.1 | 0 | 0 | 0 | 110.7 | |||||
| 294 | D | 30.6 | Very low | 29.3 | Very low | 138 Ų | 138 | 158.6 Ų | 158.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 156.7 | -150.4 | -63.2 | -58.7 | 0 | 0 | 0 | 117.8 | ||||
| 295 | V | 32.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 161.4 Ų | 161.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | 177.1 | 133.4 | 120.9 | 158.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 296 | L | 30.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 162 Ų | 162 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 147.4 | -174.7 | -174.5 | 76 | 0 | 0 | 0 | 113.2 | ||||
| 297 | P | 37 | Very low | 29.3 | Very low | 106 Ų | 106 | 158.9 Ų | 158.9 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | trans | -108.6 | 167.4 | 175.7 | 38.5 | -28.9 | 0 | 0 | 0 | 113.6 | ||||
| 298 | K | 27.2 | Very low | 29.5 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | 141.9 | 129 | 116.7 | -161.9 | 166.9 | -171.4 | 173 | 0 | 114.5 | |||||
| 299 | M | 24.5 | Very low | 29.6 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 147.8 | 170.1 | -160.9 | -174.8 | -166.5 | 0 | 0 | 110.6 | ||||
| 300 | R | 26.2 | Very low | 29.6 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 151.3 | 159.6 | -112.7 | -175.6 | -174.2 | -178.2 | 0.8 | 112 | ||||
| 301 | E | 27.8 | Very low | 29.8 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -115.4 | 153.1 | -162.6 | -156.9 | 176 | -159.4 | 0 | 0 | 111.1 | ||||
| 302 | H | 32.9 | Very low | 30 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 80.9 | 130.3 | 147.2 | -88.5 | 7.4 | 0 | 0 | 0 | 125.4 | ||||
| 303 | N | 29.5 | Very low | 30.3 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | 83 | 127.1 | 140.4 | -65.3 | -10.3 | 0 | 0 | 0 | 121.1 | ||||
| 304 | G | 28.8 | Very low | 30.2 | Very low | 70 Ų | 70 | 151.7 Ų | 151.7 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -105.9 | -170.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 305 | I | 33 | Very low | 30.3 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 160.4 | 123.9 | 140.5 | -84.8 | 168.7 | 0 | 0 | 0 | 110.2 | ||||
| 306 | K | 28.5 | Very low | 30.1 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | 48.8 | 124.1 | 150.1 | -63.4 | 174.2 | -171 | -177.2 | 0 | 122.2 | ||||
| 307 | A | 27.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 156 Ų | 156 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -160.7 | 144.9 | 118.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 308 | V | 32.2 | Very low | 29.6 | Very low | 138 Ų | 138 | 158.1 Ų | 158.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 147.7 | -172.3 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 309 | T | 27.4 | Very low | 30 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | 135.9 | 107.4 | 134.7 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 310 | S | 30.1 | Very low | 30.1 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | -178.8 | 124.6 | 119.6 | 31.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 311 | L | 32.8 | Very low | 30.5 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -51.9 | 133.5 | 160.3 | -91 | 87.4 | 0 | 0 | 0 | 109.2 | ||||
| 312 | Y | 31 | Very low | 30.6 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | -162.9 | 114.4 | 124.1 | -79.1 | -68.8 | 0 | 0 | 0 | 107.3 | L314 | Y312-L314 PolarHBondContact O-N 2.73Š| |||
| 313 | V | 33.1 | Very low | 30.4 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -80.4 | 100.7 | 165.1 | 174.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 314 | L | 31.9 | Very low | 30.5 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 124 | 162.6 | -80.4 | 169.8 | 0 | 0 | 0 | 108.6 | Y312 | Y312-L314 PolarHBondContact O-N 2.73Š| ||
| 315 | Q | 32.5 | Very low | 30.6 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 124.4 | 171.3 | -175.2 | 164.3 | -18.5 | 0 | 0 | 110.5 | ||||
| 316 | Q | 27.9 | Very low | 30.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -139.9 | 109.4 | 160.5 | -77.5 | 178.8 | -18.1 | 0 | 0 | 104.6 | ||||
| 317 | K | 25.2 | Very low | 30.7 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | 61.3 | 102.3 | 60.9 | -161 | 166.3 | -175.7 | 174.3 | 0 | 113.4 | |||||
| 318 | E | 32.2 | Very low | 31 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 77.9 | 154.7 | 147.4 | -77.5 | 176.9 | -162 | 0 | 0 | 119.2 | ||||
| 319 | P | 34.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -140.3 | 167.7 | 26 | 38.8 | -17.8 | 0 | 0 | 0 | 119 | ||||
| 320 | S | 27.7 | Very low | 31 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -54.3 | 150.5 | 153.7 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 321 | V | 32.8 | Very low | 31 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | -160.7 | 138.3 | 124.1 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 322 | D | 29.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 178.1 | 173.1 | -40.4 | -73.5 | 0 | 0 | 0 | 113.3 | ||||
| 323 | D | 29.5 | Very low | 31.7 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | cis | -174.3 | 175.5 | 12.9 | -137.8 | -25.3 | 0 | 0 | 0 | 108.8 | ||||
| 324 | L | 30.7 | Very low | 31.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 108.7 | 92.2 | 160.6 | -63.6 | 160.7 | 0 | 0 | 0 | 119.8 | ||||
| 325 | S | 31.7 | Very low | 31.5 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 48 | 139.7 | 116.2 | 74.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 326 | S | 32.6 | Very low | 31.3 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -173.7 | 146.9 | 39.1 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 327 | N | 31 | Very low | 31.6 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | 66.8 | 139.2 | 138.6 | -64.1 | -6.6 | 0 | 0 | 0 | 119.6 | ||||
| 328 | S | 33.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -172.5 | 150.2 | 30.4 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 329 | I | 31.6 | Very low | 33.5 | Very low | 176 Ų | 176 | 123 Ų | 123 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | 71.8 | 128.8 | 143.5 | -60.5 | 154.8 | 0 | 0 | 0 | 118.1 | ||||
| 330 | G | 29.4 | Very low | 33.2 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -167.2 | 165.9 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 331 | S | 29.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -91.7 | -165.2 | -175.6 | -40.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 332 | P | 46.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -142.2 | -171.3 | -6.5 | 35.1 | -11.8 | 0 | 0 | 0 | 116.8 | ||||
| 333 | S | 31.3 | Very low | 33.2 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 103.8 | 95.9 | 156.7 | 76.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 334 | E | 31.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | 90.7 | 110.7 | 66.4 | -83.5 | -160.8 | 146.9 | 0 | 0 | 113.7 | |||||
| 335 | L | 30.2 | Very low | 33.6 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | 76.6 | 129 | 118.1 | -99.8 | 69.5 | 0 | 0 | 0 | 113.9 | |||||
| 336 | D | 28.8 | Very low | 33.5 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -161.7 | 155.3 | 43.5 | -94.4 | -42.8 | 0 | 0 | 0 | 113.1 | ||||
| 337 | S | 32.3 | Very low | 33.2 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -149.8 | 168.6 | 154.3 | -51.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 338 | P | 52.8 | Low | 33.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -135.2 | -151 | -11.1 | 36.1 | -10.7 | 0 | 0 | 0 | 110.5 | ||||
| 339 | P | 45.3 | Very low | 33 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -144.8 | 158.8 | 67.6 | 33.9 | -11.6 | 0 | 0 | 0 | 117.2 | |||||
| 340 | S | 29.1 | Very low | 33 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 147.3 | 169 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 341 | Y | 30.6 | Very low | 33 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -122.2 | 115.1 | 153.5 | -83.7 | -82.6 | 0 | 0 | 0 | 110.7 | ||||
| 342 | T | 28.9 | Very low | 33.1 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 133.1 | 164.4 | 42.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 343 | T | 29.7 | Very low | 32.5 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -137.2 | 112.8 | 158 | -34.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 344 | F | 32.4 | Very low | 32.4 | Very low | 181 Ų | 181 | 147 Ų | 147 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 145.7 | 167.9 | -71.8 | -90.3 | 0 | 0 | 0 | 109.4 | ||
| 345 | P | 37.8 | Very low | 32.7 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99 | 128.3 | 154 | 29.4 | -20.7 | 0 | 0 | 0 | 111.4 | ||
| 346 | N | 27.9 | Very low | 32.8 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.6 | 168.3 | -75.6 | -35.2 | 0 | 0 | 0 | 111.1 | ||
| 347 | Y | 27.9 | Very low | 33.1 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -110.4 | 117.2 | 157.9 | -98.8 | -87.3 | 0 | 0 | 0 | 109.9 | ||||
| 348 | T | 31.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 124.3 | 172.8 | 33.5 | 0 | 0 | 0 | 0 | 111.7 | S350 | T348-S350 PolarHBondContact O-N 3Š| ||
| 349 | N | 27.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 113.7 | 164.8 | -91 | -28.6 | 0 | 0 | 0 | 110.2 | ||||
| 350 | S | 30.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -105.2 | 110.6 | 157 | 60 | 0 | 0 | 0 | 0 | 109 | T348 V352 | T348-S350 PolarHBondContact O-N 3Å; S350-V352 PolarHBondContact O-N 2.8Å | ||
| 351 | L | 31.3 | Very low | 32.3 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 118 | 169.5 | -79.2 | 104.9 | 0 | 0 | 0 | 110.3 | ||||
| 352 | V | 31.3 | Very low | 33 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -113.2 | 113.4 | 151.4 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | S350 S354 | S350-V352 PolarHBondContact O-N 2.8Å; V352-S354 PolarHBondContact O-N 2.84Å | ||
| 353 | R | 33 | Very low | 33.8 | Very low | 247 Ų | 247 | 132.9 Ų | 132.9 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 109.7 | 178 | -168.9 | 179.3 | -166 | 173.3 | 3.1 | 108.4 | ||||
| 354 | S | 30.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -124.8 | 104.2 | 163.6 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | V352 G356 | V352-S354 PolarHBondContact O-N 2.84Å; S354-G356 PolarHBondContact O-N 2.93Å | ||
| 355 | G | 37.1 | Very low | 35.9 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -73.4 | 116.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 356 | G | 31.8 | Very low | 36.1 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | -155.5 | 101.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108.1 | S354 | S354-G356 PolarHBondContact O-N 2.93Š| ||
| 357 | T | 35.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -47.8 | 124.1 | 163 | 22.1 | 0 | 0 | 0 | 0 | 109.4 | A359 | T357-A359 VanDerWaalsContact C-N 3.33Å; T357-A359 PolarHBondContact O-N 3.03Å | ||
| 358 | P | 35.7 | Very low | 37 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 98.6 | 163.8 | 28.5 | -27 | 0 | 0 | 0 | 106.3 | S360 | P358-S360 PolarHBondContact O-N 2.85Å; P358-S360 VanDerWaalsContact O-N 3.17Å | ||
| 359 | A | 34.4 | Very low | 37.2 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -55.6 | 120.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | T357 S361 | T357-A359 VanDerWaalsContact C-N 3.33Å; T357-A359 PolarHBondContact O-N 3.03Å; A359-S361 PolarHBondContact O-N 2.94Å | ||
| 360 | S | 34.6 | Very low | 37.8 | Very low | 91 Ų | 91 | 124 Ų | 124 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -62.7 | 82 | 170.5 | 57.1 | 0 | 0 | 0 | 0 | 108.2 | P358 F362 | P358-S360 PolarHBondContact O-N 2.85Å; P358-S360 VanDerWaalsContact O-N 3.17Å; S360-F362 VanDerWaalsContact C-N 3.32Å; S360-F362 WeakPolarHBondContact O-CD2 3.18Å; S360-F362 PolarHBondContact O-N 3.02Å | ||
| 361 | S | 37.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -75.4 | 94 | 170.3 | 58.5 | 0 | 0 | 0 | 0 | 106.5 | A359 | A359-S361 PolarHBondContact O-N 2.94Š| ||
| 362 | F | 44.9 | Very low | 38.7 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | trans | -52.6 | 133.1 | 168.1 | -63.1 | -83.2 | 0 | 0 | 0 | 108.5 | S360 K364 | S360-F362 VanDerWaalsContact C-N 3.32Å; S360-F362 WeakPolarHBondContact O-CD2 3.18Å; S360-F362 PolarHBondContact O-N 3.02Å; F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.1Å | ||
| 363 | P | 45.6 | Very low | 39.3 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 52% | 0.519 | 74% | 0.741 | S | S | . | * | trans | -60.8 | 104.6 | 166.8 | 24.3 | -29.4 | 0 | 0 | 0 | 106.6 | N167 C365 | N167-P363 PolarHBondContact ND2-O 3.28Å; P363-C365 PolarHBondContact O-N 3.38Å | ||
| 364 | K | 50 | Low | 39.7 | Very low | 182 Ų | 182 | 111.5 Ų | 111.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -66.6 | 122.3 | 178.1 | -70.1 | -177.4 | 178.1 | 178.9 | 0 | 106.9 | F362 V366 | F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.1Å; K364-V366 HydrophobicContact CB-CG2 4.42Å; K364-V366 PolarHBondContact O-N 3.32Å; K364-V366 VanDerWaalsContact O-N 3.14Å | ||
| 365 | C | 56.3 | Low | 40.5 | Very low | 49 Ų | 49 | 111.4 Ų | 111.4 | 33% | 0.331 | 72% | 0.721 | S | S | . | * | trans | -60.2 | 112.2 | 159.1 | -56.7 | 0 | 0 | 0 | 0 | 105.8 | V165 C201 P363 | V165-C365 HydrophobicContact CG1-CB 4.22Å; C201-C365 HydrophobicContact CB-CB 3.63Å; C201-C365 WeakPolarHBondContact CB-SG 3.17Å; C201-C365 WeakPolarHBondContact SG-CB 3.44Å; C201-C365 CovalentContact SG-SG 2.03Å; C201-C365 PolarHBondContact SG-SG 3.04Å; P363-C365 PolarHBondContact O-N 3.38Å | ||
| 366 | V | 42.8 | Very low | 40.8 | Very low | 188 Ų | 188 | 114 Ų | 114 | 100% | 1.139 | 71% | 0.709 | S | S | * | * | trans | -96.9 | 0 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | K364 | K364-V366 HydrophobicContact CB-CG2 4.42Å; K364-V366 PolarHBondContact O-N 3.32Å; K364-V366 VanDerWaalsContact O-N 3.14Å |
Retrieved 366 of 366 residues in 637.2 ms
(Link to these results)