| 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 | 36.8 | Very low | 41.7 | Very low | 241 Ų | 241 | 161.1 Ų | 161.1 | 100% | 1.187 | 82% | 0.818 | S | S | * | * | 0 | 107.2 | 0 | -67.5 | 168.9 | 177.7 | 0 | 0 | 107.1 | |||||
| 2 | S | 35.6 | Very low | 41.7 | Very low | 80 Ų | 80 | 153.1 Ų | 153.1 | 56% | 0.559 | 81% | 0.806 | S | S | * | * | trans | 171.6 | 144.7 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | F | 39.4 | Very low | 42.3 | Very low | 184 Ų | 184 | 159.5 Ų | 159.5 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | 47.2 | 105.9 | 161 | 40.3 | -110 | 0 | 0 | 0 | 119.7 | ||||
| 4 | R | 45.5 | Very low | 42.6 | Very low | 255 Ų | 255 | 156.1 Ų | 156.1 | 96% | 0.962 | 81% | 0.81 | S | S | * | * | trans | -152.6 | 51.7 | 149.4 | -122 | 175.1 | -94 | 176.6 | -8.3 | 112.8 | R6 | R4-R6 PolarHBondContact O-N 3.29Š| ||
| 5 | G | 38 | Very low | 43.1 | Very low | 75 Ų | 75 | 162.5 Ų | 162.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -81 | 98.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | R | 42.6 | Very low | 43.3 | Very low | 237 Ų | 237 | 157.5 Ų | 157.5 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -163.6 | 132.2 | 154.1 | -86 | -128.1 | -169.2 | -86.8 | 3.4 | 110.8 | R4 | R4-R6 PolarHBondContact O-N 3.29Š| ||
| 7 | R | 43 | Very low | 43.3 | Very low | 246 Ų | 246 | 152.9 Ų | 152.9 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | trans | 101.8 | 123.9 | 142 | -133 | 179 | -165.5 | -175.4 | 3.2 | 117.1 | ||||
| 8 | G | 42.5 | Very low | 43.3 | Very low | 68 Ų | 68 | 148.2 Ų | 148.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 142.8 | 44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | S | 47.6 | Very low | 43.9 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | 41.5 | 107.3 | 87.6 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 10 | S | 42 | Very low | 43.8 | Very low | 90 Ų | 90 | 149 Ų | 149 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | trans | 63.9 | 109.5 | 140.6 | -164.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 11 | F | 46.2 | Very low | 44.3 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | -160 | 100.3 | 110.6 | -77.4 | -65.5 | 0 | 0 | 0 | 107.9 | |||||
| 12 | G | 41.6 | Very low | 45.2 | Very low | 65 Ų | 65 | 152.1 Ų | 152.1 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -65.4 | 131.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 13 | R | 49.5 | Very low | 45.8 | Very low | 236 Ų | 236 | 151.2 Ų | 151.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -140.6 | 89.7 | 152.7 | -78 | -63.4 | -142.7 | -104.1 | -4 | 107.8 | ||||
| 14 | S | 45.6 | Very low | 46.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -45.1 | 136.7 | 156 | -43.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | R | 50.2 | Low | 46.5 | Very low | 253 Ų | 253 | 140.1 Ų | 140.1 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | 158.7 | 103.8 | 131.9 | -91.2 | 171.6 | -177.8 | -171.2 | 0.6 | 109.6 | ||||
| 16 | G | 46.8 | Very low | 46.8 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -175.2 | 43.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | G | 42.4 | Very low | 47.1 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 146.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 18 | G | 44.6 | Very low | 47.6 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 86.7 | 102.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 19 | R | 53.3 | Low | 48.2 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | -170.9 | 104.4 | 129.7 | -97.9 | 160.6 | -130.3 | -116.3 | 8.8 | 107.4 | F21 | R19-F21 PolarHBondContact O-N 3.29Š| |||
| 20 | G | 42.8 | Very low | 48.2 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -58.3 | 126.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R22 | G20-R22 PolarHBondContact O-N 3.17Š| ||
| 21 | F | 53.5 | Low | 48.1 | Very low | 203 Ų | 203 | 129.8 Ų | 129.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 78.3 | 152.9 | -68.3 | -81 | 0 | 0 | 0 | 107.1 | R19 G23 | R19-F21 PolarHBondContact O-N 3.29Å; F21-G23 PolarHBondContact O-N 3.37Å; F21-G23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | R | 57.3 | Low | 48.4 | Very low | 253 Ų | 253 | 131 Ų | 131 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -61.6 | 98.3 | 143.6 | -69.1 | -176.9 | -144.8 | -136.9 | 2 | 105 | G20 | G20-R22 PolarHBondContact O-N 3.17Š| ||
| 23 | G | 46.3 | Very low | 49 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -162.7 | 72 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F21 | F21-G23 PolarHBondContact O-N 3.37Å; F21-G23 VanDerWaalsContact O-N 3.11Å | ||
| 24 | S | 56.1 | Low | 49.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 65.2 | 57.5 | 150.9 | -146.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 25 | G | 45 | Very low | 49.6 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -85 | 10.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 26 | G | 44.2 | Very low | 49.8 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -101.6 | 82.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | G | 49.4 | Very low | 50.3 | Low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -163.6 | 43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | R29 | G27-R29 PolarHBondContact O-N 3.14Š| ||
| 28 | G | 52.3 | Low | 51.1 | Low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | trans | -51 | 114.8 | 169 | 0 | 0 | 0 | 0 | 0 | 108.4 | G30 | G28-G30 PolarHBondContact O-N 3.1Š| ||
| 29 | R | 54.7 | Low | 52.2 | Low | 245 Ų | 245 | 122.5 Ų | 122.5 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -57.6 | 117.5 | -176.3 | -65.2 | 170 | 179.3 | 174.6 | -1 | 109.3 | G27 G31 | G27-R29 PolarHBondContact O-N 3.14Å; R29-G31 PolarHBondContact O-N 3.34Å | ||
| 30 | G | 47.9 | Very low | 53.3 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | 34.9 | 68.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G28 Y32 | G28-G30 PolarHBondContact O-N 3.1Å; G30-Y32 PolarHBondContact O-N 3.21Å | ||
| 31 | G | 40.5 | Very low | 55.4 | Low | 61 Ų | 61 | 115.9 Ų | 115.9 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -54.9 | 135.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107 | R29 Q33 | R29-G31 PolarHBondContact O-N 3.34Å; G31-Q33 VanDerWaalsContact C-N 3.3Å; G31-Q33 PolarHBondContact O-N 3.44Å | ||
| 32 | Y | 52.3 | Low | 57.2 | Low | 222 Ų | 222 | 108.9 Ų | 108.9 | 87% | 0.871 | 67% | 0.666 | S | S | * | * | trans | -30 | 98.1 | 164.8 | -97.9 | -127 | 0 | 0 | 0 | 108.9 | G30 D34 | G30-Y32 PolarHBondContact O-N 3.21Å; Y32-D34 VanDerWaalsContact C-N 3.31Å; Y32-D34 PolarHBondContact O-N 3.16Å; Y32-D34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | Q | 54.8 | Low | 58.9 | Low | 161 Ų | 161 | 99.3 Ų | 99.3 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -70.5 | 111 | 161 | -70.3 | 172.8 | 12 | 0 | 0 | 100.9 | G31 T35 | G31-Q33 VanDerWaalsContact C-N 3.3Å; G31-Q33 PolarHBondContact O-N 3.44Å; Q33-T35 VanDerWaalsContact CB-OG1 3.32Å; Q33-T35 WeakPolarHBondContact CB-OG1 2.99Å; Q33-T35 PolarHBondContact O-N 3Å; Q33-T35 PolarHBondContact O-OG1 3.17Å | ||
| 34 | D | 51.8 | Low | 61.1 | Low | 153 Ų | 153 | 96.4 Ų | 96.4 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | trans | -60.5 | 67.8 | 151.7 | -62.7 | -45.5 | 0 | 0 | 0 | 105.7 | Y32 G36 | Y32-D34 VanDerWaalsContact C-N 3.31Å; Y32-D34 PolarHBondContact O-N 3.16Å; Y32-D34 VanDerWaalsContact O-N 3.11Å; D34-G36 PolarHBondContact O-N 2.88Å | ||
| 35 | T | 55.3 | Low | 62.9 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | trans | -61.8 | 114.7 | 173.4 | -52.2 | 0 | 0 | 0 | 0 | 102.2 | Q33 | Q33-T35 VanDerWaalsContact CB-OG1 3.32Å; Q33-T35 WeakPolarHBondContact CB-OG1 2.99Å; Q33-T35 PolarHBondContact O-N 3Å; Q33-T35 PolarHBondContact O-OG1 3.17Å | ||
| 36 | G | 54.2 | Low | 65.2 | Low | 47 Ų | 47 | 88.2 Ų | 88.2 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | trans | -52.4 | -175.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D34 P38 | D34-G36 PolarHBondContact O-N 2.88Å; G36-P38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | P | 57.6 | Low | 67.6 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -41.5 | 127.1 | -174.9 | -26.2 | 31.4 | 0 | 0 | 0 | 110.8 | E39 K76 | P37-E39 PolarHBondContact O-N 2.72Å; P37-K76 HydrophobicContact CB-CB 4.21Å; P37-K76 HydrophobicContact CB-CD 4.4Å |
| 38 | P | 59.8 | Low | 69.7 | Low | 13 Ų | 13 | 85.2 Ų | 85.2 | 8% | 0.084 | 48% | 0.482 | C | S | . | . | trans | -44.9 | 136.9 | -167.9 | -28.7 | 30.6 | 0 | 0 | 0 | 112.4 | G36 H40 V41 Y72 K76 D116 | G36-P38 VanDerWaalsContact O-N 3.15Å; P38-H40 PolarHBondContact O-N 3.16Å; P38-H40 VanDerWaalsContact O-N 3.15Å; P38-V41 HydrophobicContact CB-CG1 4.02Å; P38-V41 HydrophobicContact CG-CG1 4.24Å; P38-Y72 HydrophobicContact CG-CE2 3.93Å; P38-K76 PolarHBondContact O-NZ 2.71Å; P38-D116 HydrophobicContact CB-CB 4.24Å; P38-D116 HydrophobicContact CG-CB 3.91Å | ||
| 39 | E | 66.6 | Low | 71.6 | Confident | 161 Ų | 161 | 85.8 Ų | 85.8 | 75% | 0.752 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -51.4 | -40.7 | 176.2 | -83.1 | -171.9 | 149.7 | 0 | 0 | 110.2 | P37 K76 | P37-E39 PolarHBondContact O-N 2.72Å; E39-K76 PolarHBondContact O-NZ 3.23Å; E39-K76 VanDerWaalsContact O-NZ 3.14Å |
| 40 | H | 77.6 | Confident | 73.4 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | trans | -129.6 | 129.1 | 177.7 | -62.6 | -75.4 | 0 | 0 | 0 | 110.7 | P38 P117 | P38-H40 PolarHBondContact O-N 3.16Å; P38-H40 VanDerWaalsContact O-N 3.15Å; H40-P117 WeakPolarHBondContact O-CD 3.4Å | ||
| 41 | V | 86.6 | Confident | 75.4 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | trans | -110.3 | 143.3 | 167.9 | -63 | 0 | 0 | 0 | 0 | 108.3 | P38 Y72 F114 | P38-V41 HydrophobicContact CB-CG1 4.02Å; P38-V41 HydrophobicContact CG-CG1 4.24Å; V41-Y72 HydrophobicContact CG1-CD2 4.41Å; V41-F114 HydrophobicContact CB-CB 3.96Å; V41-F114 HydrophobicContact CG2-CB 4.01Å; V41-F114 HydrophobicContact CG2-CD1 4.03Å; V41-F114 HydrophobicContact CG2-CG 4.22Å | ||
| 42 | T | 90.7 | Very high | 77.7 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 147.2 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 109.3 | L44 F114 I115 | T42-L44 PolarHBondContact O-N 2.76Å; T42-F114 CarbonylContact O-C 3.34Å; T42-F114 VanDerWaalsContact O-CA 3.29Å; T42-F114 WeakPolarHBondContact O-CA 3.46Å; T42-I115 PolarHBondContact N-O 3.22Å; T42-I115 PolarHBondContact O-N 2.88Å |
| 43 | E | 93.1 | Very high | 79.5 | Confident | 52 Ų | 52 | 78.9 Ų | 78.9 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 121.4 | 174.3 | -169.6 | -176.2 | 131.6 | 0 | 0 | 110 | T60 T61 K112 F114 | E43-T60 PolarHBondContact OE1-OG1 3.46Å; E43-T61 PolarHBondContact O-OG1 2.89Å; E43-K112 HydrophobicContact CG-CD 4.34Å; E43-K112 IonicContact OE1-NZ 3.97Å; E43-K112 IonicContact OE2-NZ 2.79Å; E43-K112 PolarHBondContact OE2-NZ 3.27Å; E43-F114 HydrophobicContact CB-CE1 4.32Å |
| 44 | L | 93 | Very high | 81.3 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -46.9 | 176 | 174.2 | 63 | 0 | 0 | 0 | 110.4 | T42 C59 T60 P65 V71 V82 V113 I115 L120 | T42-L44 PolarHBondContact O-N 2.76Å; L44-C59 WeakPolarHBondContact O-CA 3.27Å; L44-T60 PolarHBondContact O-N 2.86Å; L44-P65 HydrophobicContact CD1-CB 4.09Å; L44-P65 HydrophobicContact CD1-CG 3.86Å; L44-V71 HydrophobicContact CD2-CG2 4.28Å; L44-V82 HydrophobicContact CD2-CG2 4.4Å; L44-V113 HydrophobicContact CB-CG2 4.23Å; L44-V113 WeakPolarHBondContact CB-O 3.48Å; L44-V113 HydrophobicContact CD2-CG2 4.34Å; L44-V113 HydrophobicContact CG-CG2 4.47Å; L44-V113 PolarHBondContact N-O 3.23Å; L44-I115 HydrophobicContact CB-CB 4.16Å; L44-I115 HydrophobicContact CB-CG2 3.85Å; L44-I115 HydrophobicContact CD1-CG2 4.12Å; L44-I115 HydrophobicContact CD2-CB 4.37Å; L44-I115 HydrophobicContact CD2-CD1 4.38Å; L44-I115 HydrophobicContact CG-CG2 4.4Å; L44-L120 HydrophobicContact CD1-CD2 4.3Å |
| 45 | G | 93.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | K58 V113 | G45-K58 CarbonylContact C-O 3.58Å; G45-K58 WeakPolarHBondContact CA-O 3.33Å; G45-V113 PolarHBondContact N-O 2.88Å; G45-V113 VanDerWaalsContact O-CG2 3.29Å; G45-V113 WeakPolarHBondContact O-CG2 3.42Å; G45-V113 PolarHBondContact O-N 2.65Å |
| 46 | V | 93.7 | Very high | 85.3 | Confident | 35 Ų | 35 | 62 Ų | 62 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.2 | -177.1 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | C57 K58 T60 A109 K112 | V46-C57 CarbonylContact O-C 3.58Å; V46-C57 VanDerWaalsContact O-CA 3.22Å; V46-C57 WeakPolarHBondContact O-CA 3.36Å; V46-K58 PolarHBondContact N-O 3.46Å; V46-K58 PolarHBondContact O-N 3.46Å; V46-T60 HydrophobicContact CG2-CG2 4.13Å; V46-A109 WeakPolarHBondContact CG1-O 3.42Å; V46-K112 HydrophobicContact CG2-CG 4.43Å |
| 47 | F | 93.8 | Very high | 87.2 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 139.2 | 174.5 | 174.7 | -98 | 0 | 0 | 0 | 111.2 | H49 P50 I55 F107 T108 D111 | F47-H49 VanDerWaalsContact CZ-C 3.46Å; F47-P50 HydrophobicContact CZ-CB 4.19Å; F47-P50 HydrophobicContact CZ-CG 4.4Å; F47-I55 HydrophobicContact CD2-CB 3.82Å; F47-I55 HydrophobicContact CD2-CD1 4.25Å; F47-I55 HydrophobicContact CD2-CG2 4.09Å; F47-I55 HydrophobicContact CE2-CB 3.7Å; F47-I55 HydrophobicContact CE2-CG2 3.62Å; F47-F107 HydrophobicContact CD1-CB 3.86Å; F47-F107 HydrophobicContact CD2-CB 3.59Å; F47-F107 HydrophobicContact CD2-CD1 4.28Å; F47-F107 HydrophobicContact CD2-CG 4.03Å; F47-F107 HydrophobicContact CE1-CB 3.77Å; F47-F107 WeakPolarHBondContact CE1-O 3.31Å; F47-F107 HydrophobicContact CE2-CB 3.51Å; F47-F107 HydrophobicContact CE2-CG 4.11Å; F47-F107 HydrophobicContact CG-CB 3.74Å; F47-F107 HydrophobicContact CG-CG 4.46Å; F47-F107 HydrophobicContact CZ-CB 3.57Å; F47-T108 VanDerWaalsContact CD1-C 3.49Å; F47-T108 WeakPolarHBondContact CD1-O 3.3Å; F47-D111 HydrophobicContact CB-CB 4.23Å; F47-D111 WeakPolarHBondContact CB-O 3.29Å; F47-D111 PolarHBondContact N-O 3.46Å |
| 48 | T | 93 | Very high | 88.9 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -56.2 | -179.1 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | V56 K58 | T48-V56 WeakPolarHBondContact CB-O 3.38Å; T48-V56 PolarHBondContact N-O 3.07Å; T48-K58 PolarHBondContact OG1-N 3.02Å |
| 49 | H | 92.6 | Very high | 90.4 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 150.5 | 178.7 | 57.4 | -84.9 | 0 | 0 | 0 | 111.2 | F47 V56 | F47-H49 VanDerWaalsContact CZ-C 3.46Å; H49-V56 PolarHBondContact O-N 3.32Å |
| 50 | P | 93 | Very high | 91.5 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 145.8 | 174.7 | 32.2 | -32.4 | 0 | 0 | 0 | 110.7 | F47 A104 | F47-P50 HydrophobicContact CZ-CB 4.19Å; F47-P50 HydrophobicContact CZ-CG 4.4Å; P50-A104 HydrophobicContact CB-CB 3.75Å |
| 51 | C | 90.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 82.2 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | E53 Q54 V56 | C51-E53 PolarHBondContact O-N 3.09Å; C51-Q54 CarbonylContact C-O 3.51Å; C51-Q54 WeakPolarHBondContact CA-O 3.46Å; C51-Q54 HydrophobicContact CB-CB 4.47Å; C51-Q54 PolarHBondContact N-O 3.09Å; C51-Q54 WeakPolarHBondContact O-CA 3.33Å; C51-Q54 PolarHBondContact O-N 3.1Å; C51-Q54 VanDerWaalsContact O-O 3.12Å; C51-V56 HydrophobicContact CB-CG2 4.42Å |
| 52 | L | 89.1 | Confident | 91.9 | Very high | 168 Ų | 168 | 57 Ų | 57 | 88% | 0.88 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -108.7 | -176.6 | -58.7 | 173.8 | 0 | 0 | 0 | 112.3 | Q54 A104 | L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-A104 WeakPolarHBondContact O-CB 3.49Å |
| 53 | E | 89.5 | Confident | 91.9 | Very high | 159 Ų | 159 | 59.1 Ų | 59.1 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.6 | 178.9 | -59.2 | -175.6 | 161 | 0 | 0 | 113 | C51 L98 | C51-E53 PolarHBondContact O-N 3.09Å; E53-L98 WeakPolarHBondContact O-CB 3.48Å; E53-L98 PolarHBondContact O-N 3.3Å |
| 54 | Q | 93.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 163.2 | 179 | -55 | -170.6 | -21.9 | 0 | 0 | 111.1 | C51 L52 D83 V96 T97 | C51-Q54 CarbonylContact C-O 3.51Å; C51-Q54 WeakPolarHBondContact CA-O 3.46Å; C51-Q54 HydrophobicContact CB-CB 4.47Å; C51-Q54 PolarHBondContact N-O 3.09Å; C51-Q54 WeakPolarHBondContact O-CA 3.33Å; C51-Q54 PolarHBondContact O-N 3.1Å; C51-Q54 VanDerWaalsContact O-O 3.12Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-D83 PolarHBondContact NE2-OD2 2.82Å; Q54-V96 CarbonylContact C-O 3.48Å; Q54-V96 WeakPolarHBondContact CA-O 3.15Å; Q54-V96 WeakPolarHBondContact CB-O 3.5Å; Q54-T97 PolarHBondContact NE2-OG1 2.74Å |
| 55 | I | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.4 | 166.9 | 61.1 | 172.8 | 0 | 0 | 0 | 109.9 | F47 V79 S95 V96 L98 A104 F107 V113 | F47-I55 HydrophobicContact CD2-CB 3.82Å; F47-I55 HydrophobicContact CD2-CD1 4.25Å; F47-I55 HydrophobicContact CD2-CG2 4.09Å; F47-I55 HydrophobicContact CE2-CB 3.7Å; F47-I55 HydrophobicContact CE2-CG2 3.62Å; I55-V79 HydrophobicContact CD1-CG1 4.38Å; I55-S95 CarbonylContact O-C 3.48Å; I55-S95 WeakPolarHBondContact O-CA 3.43Å; I55-V96 HydrophobicContact CD1-CB 4.39Å; I55-V96 HydrophobicContact CG1-CB 3.79Å; I55-V96 HydrophobicContact CG1-CG2 4.43Å; I55-V96 PolarHBondContact N-O 2.9Å; I55-V96 PolarHBondContact O-N 3.12Å; I55-L98 HydrophobicContact CD1-CD2 4.01Å; I55-L98 HydrophobicContact CG1-CD2 3.98Å; I55-L98 HydrophobicContact CG2-CD1 3.96Å; I55-L98 HydrophobicContact CG2-CD2 4.02Å; I55-L98 HydrophobicContact CG2-CG 4.23Å; I55-A104 HydrophobicContact CG2-CB 3.85Å; I55-F107 HydrophobicContact CD1-CD1 4.13Å; I55-F107 HydrophobicContact CD1-CE1 3.75Å; I55-F107 HydrophobicContact CD1-CE2 4.26Å; I55-F107 HydrophobicContact CD1-CZ 3.84Å; I55-F107 HydrophobicContact CG2-CD2 3.9Å; I55-F107 HydrophobicContact CG2-CE2 4.05Å; I55-F107 HydrophobicContact CG2-CG 4.4Å; I55-V113 HydrophobicContact CD1-CG1 4.25Å |
| 56 | V | 94.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.6 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 109 | T48 H49 C51 F86 F93 | T48-V56 WeakPolarHBondContact CB-O 3.38Å; T48-V56 PolarHBondContact N-O 3.07Å; H49-V56 PolarHBondContact O-N 3.32Å; C51-V56 HydrophobicContact CB-CG2 4.42Å; V56-F86 HydrophobicContact CG1-CE1 4.48Å; V56-F86 HydrophobicContact CG1-CZ 3.71Å; V56-F86 HydrophobicContact CG2-CZ 4.3Å; V56-F93 HydrophobicContact CG1-CB 4.3Å; V56-F93 HydrophobicContact CG1-CD1 4.04Å |
| 57 | C | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.5 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | V46 F93 V94 V113 | V46-C57 CarbonylContact O-C 3.58Å; V46-C57 VanDerWaalsContact O-CA 3.22Å; V46-C57 WeakPolarHBondContact O-CA 3.36Å; C57-F93 CarbonylContact O-C 3.57Å; C57-F93 VanDerWaalsContact O-CA 3.27Å; C57-F93 WeakPolarHBondContact O-CA 3.41Å; C57-V94 PolarHBondContact N-O 3.37Å; C57-V94 PolarHBondContact O-N 3Å; C57-V113 HydrophobicContact CB-CG2 3.92Å |
| 58 | K | 93.7 | Very high | 91.6 | Very high | 104 Ų | 104 | 69.7 Ų | 69.7 | 45% | 0.452 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.8 | 170.1 | -176.5 | -178.7 | 177.4 | -175.6 | 0 | 109 | G45 V46 T48 F93 | G45-K58 CarbonylContact C-O 3.58Å; G45-K58 WeakPolarHBondContact CA-O 3.33Å; V46-K58 PolarHBondContact N-O 3.46Å; V46-K58 PolarHBondContact O-N 3.46Å; T48-K58 PolarHBondContact OG1-N 3.02Å; K58-F93 HydrophobicContact CB-CD1 3.97Å; K58-F93 HydrophobicContact CB-CE1 3.71Å; K58-F93 HydrophobicContact CD-CE1 4.35Å; K58-F93 HydrophobicContact CD-CZ 4.45Å; K58-F93 HydrophobicContact CG-CD1 4.36Å; K58-F93 HydrophobicContact CG-CE1 3.87Å; K58-F93 HydrophobicContact CG-CZ 4.19Å |
| 59 | C | 92.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 134 | 179.9 | -73.6 | 0 | 0 | 0 | 0 | 112 | L44 H92 V94 | L44-C59 WeakPolarHBondContact O-CA 3.27Å; C59-H92 WeakPolarHBondContact CB-NE2 3.35Å; C59-H92 WeakPolarHBondContact CB-O 3.28Å; C59-H92 PolarHBondContact N-O 3.32Å; C59-H92 VanDerWaalsContact SG-CD2 3.56Å; C59-V94 WeakPolarHBondContact SG-CG2 3.42Å |
| 60 | T | 88.3 | Confident | 91.7 | Very high | 80 Ų | 80 | 64 Ų | 64 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | trans | -98.1 | -16 | 173.7 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | E43 L44 V46 | E43-T60 PolarHBondContact OE1-OG1 3.46Å; L44-T60 PolarHBondContact O-N 2.86Å; V46-T60 HydrophobicContact CG2-CG2 4.13Å | ||
| 61 | T | 86.6 | Confident | 91.7 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -92.9 | 142.5 | -176.7 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | E43 K63 L120 | E43-T61 PolarHBondContact O-OG1 2.89Å; T61-K63 VanDerWaalsContact C-N 3.3Å; T61-K63 HydrophobicContact CG2-CB 3.96Å; T61-K63 HydrophobicContact CG2-CG 4.38Å; T61-K63 PolarHBondContact O-N 2.91Å; T61-L120 HydrophobicContact CG2-CD1 4.32Å |
| 62 | E | 87.2 | Confident | 91.9 | Very high | 156 Ų | 156 | 59.4 Ų | 59.4 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.7 | -23 | 178.2 | -61.1 | -174.1 | 159.3 | 0 | 0 | 113.7 | ||
| 63 | K | 89.3 | Confident | 92 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -84 | 145.8 | 178 | -56.5 | 176.8 | -176.2 | 169.9 | 0 | 110.2 | T61 L120 L121 | T61-K63 VanDerWaalsContact C-N 3.3Å; T61-K63 HydrophobicContact CG2-CB 3.96Å; T61-K63 HydrophobicContact CG2-CG 4.38Å; T61-K63 PolarHBondContact O-N 2.91Å; K63-L120 HydrophobicContact CB-CB 3.82Å; K63-L120 HydrophobicContact CB-CD1 4.23Å; K63-L120 HydrophobicContact CB-CD2 4.44Å; K63-L120 HydrophobicContact CB-CG 4.4Å; K63-L120 HydrophobicContact CD-CB 3.93Å; K63-L120 HydrophobicContact CD-CD1 4.1Å; K63-L121 WeakPolarHBondContact CA-O 3.34Å; K63-L121 WeakPolarHBondContact CB-O 3.35Å |
| 64 | V | 91.4 | Very high | 92 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.5 | -176 | -179 | 0 | 0 | 0 | 0 | 109.2 | I85 L121 L123 F126 | V64-I85 HydrophobicContact CG1-CD1 3.61Å; V64-I85 HydrophobicContact CG1-CG2 4.04Å; V64-L121 PolarHBondContact N-O 2.87Å; V64-L121 WeakPolarHBondContact O-CA 3.35Å; V64-L121 WeakPolarHBondContact O-CB 3.18Å; V64-L121 PolarHBondContact O-N 3.03Å; V64-L123 HydrophobicContact CG2-CD1 4.36Å; V64-F126 HydrophobicContact CB-CD2 4.36Å; V64-F126 HydrophobicContact CB-CE2 3.53Å; V64-F126 HydrophobicContact CB-CZ 3.92Å; V64-F126 HydrophobicContact CG1-CE2 3.91Å; V64-F126 HydrophobicContact CG1-CZ 3.74Å; V64-F126 HydrophobicContact CG2-CD2 3.94Å; V64-F126 HydrophobicContact CG2-CE2 3.62Å; V64-F126 HydrophobicContact CG2-CZ 4.25Å |
| 65 | P | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 160.6 | 177.8 | 27 | -34.1 | 0 | 0 | 0 | 112.7 | L44 V82 I85 V94 I115 K119 L120 | L44-P65 HydrophobicContact CD1-CB 4.09Å; L44-P65 HydrophobicContact CD1-CG 3.86Å; P65-V82 HydrophobicContact CB-CG2 4.24Å; P65-V82 HydrophobicContact CG-CG1 4.43Å; P65-V82 HydrophobicContact CG-CG2 4.44Å; P65-I85 HydrophobicContact CG-CD1 3.72Å; P65-I85 HydrophobicContact CG-CG1 4.21Å; P65-I85 WeakPolarHBondContact O-CD1 3.45Å; P65-V94 HydrophobicContact CG-CG2 3.87Å; P65-I115 HydrophobicContact CB-CD1 3.57Å; P65-K119 WeakPolarHBondContact CA-O 3.02Å; P65-L120 HydrophobicContact CB-CD2 4.17Å |
| 66 | Y | 92.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 146.7 | 165.2 | -71.9 | -93.3 | 0 | 0 | 0 | 110.2 | A69 K119 L121 | Y66-A69 WeakPolarHBondContact O-CB 3.44Å; Y66-A69 PolarHBondContact O-N 2.86Å; Y66-K119 HydrophobicContact CD2-CB 4.19Å; Y66-K119 VanDerWaalsContact CD2-O 3.23Å; Y66-K119 WeakPolarHBondContact CD2-O 3.46Å; Y66-K119 PolarHBondContact N-O 3.43Å; Y66-L121 HydrophobicContact CD1-CD1 4.08Å; Y66-L121 HydrophobicContact CD1-CD2 4.29Å; Y66-L121 HydrophobicContact CD1-CG 4.13Å; Y66-L121 HydrophobicContact CD2-CG 4.33Å; Y66-L121 HydrophobicContact CE1-CD1 4.11Å; Y66-L121 HydrophobicContact CE1-CD2 3.51Å; Y66-L121 HydrophobicContact CE1-CG 3.82Å; Y66-L121 HydrophobicContact CE2-CD2 4.11Å; Y66-L121 HydrophobicContact CE2-CG 4.02Å; Y66-L121 HydrophobicContact CG-CD1 4.49Å; Y66-L121 HydrophobicContact CG-CG 4.37Å; Y66-L121 WeakPolarHBondContact OH-CD2 3.49Å |
| 67 | F | 92.9 | Very high | 91.1 | Very high | 121 Ų | 121 | 65 Ų | 65 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 141.4 | 164.8 | -164.5 | -90.8 | 0 | 0 | 0 | 110 | A69 D83 | F67-A69 PolarHBondContact O-N 3.23Å; F67-D83 WeakPolarHBondContact CD2-O 3.5Å; F67-D83 VanDerWaalsContact CE2-C 3.48Å; F67-D83 WeakPolarHBondContact CE2-O 3.33Å |
| 68 | N | 92.8 | Very high | 90.9 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 19.5 | -175.5 | -66.4 | -39.1 | 0 | 0 | 0 | 115.6 | V82 | N68-V82 WeakPolarHBondContact CA-O 3.45Å; N68-V82 PolarHBondContact N-O 2.83Å |
| 69 | A | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | trans | -72.4 | 139.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y66 F67 K81 V82 I115 K119 | Y66-A69 WeakPolarHBondContact O-CB 3.44Å; Y66-A69 PolarHBondContact O-N 2.86Å; F67-A69 PolarHBondContact O-N 3.23Å; A69-K81 CarbonylContact O-C 3.56Å; A69-K81 VanDerWaalsContact O-CA 3.28Å; A69-K81 WeakPolarHBondContact O-CA 3.22Å; A69-V82 HydrophobicContact CB-CG2 4.35Å; A69-V82 PolarHBondContact O-N 3.27Å; A69-I115 HydrophobicContact CB-CD1 3.89Å; A69-K119 HydrophobicContact CB-CB 4.11Å | ||
| 70 | P | 94 | Very high | 90.9 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 138.3 | 174.9 | 29.4 | -34.2 | 0 | 0 | 0 | 110.9 | Y72 G80 | P70-Y72 HydrophobicContact CB-CE2 4.05Å; P70-Y72 HydrophobicContact CG-CE2 4.08Å; P70-Y72 WeakPolarHBondContact CG-OH 2.75Å; P70-G80 WeakPolarHBondContact CA-O 3.43Å |
| 71 | V | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.8 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | L44 V79 G80 V82 V96 V113 F114 | L44-V71 HydrophobicContact CD2-CG2 4.28Å; V71-V79 PolarHBondContact O-N 3.05Å; V71-G80 PolarHBondContact N-O 2.82Å; V71-G80 PolarHBondContact O-N 2.89Å; V71-V82 HydrophobicContact CG2-CG2 3.47Å; V71-V82 VanDerWaalsContact CG2-CG2 3.47Å; V71-V96 HydrophobicContact CB-CG1 4.08Å; V71-V96 HydrophobicContact CG2-CG1 4.02Å; V71-V96 HydrophobicContact CG2-CG2 4.06Å; V71-V113 HydrophobicContact CG1-CB 3.64Å; V71-V113 HydrophobicContact CG1-CG1 4.1Å; V71-V113 HydrophobicContact CG1-CG2 4.41Å; V71-F114 WeakPolarHBondContact CG1-O 3.1Å |
| 72 | Y | 94 | Very high | 91.6 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.7 | -173.6 | -54.7 | -86.9 | 0 | 0 | 0 | 111.7 | P38 V41 P70 K76 E77 Q78 F114 | P38-Y72 HydrophobicContact CG-CE2 3.93Å; V41-Y72 HydrophobicContact CG1-CD2 4.41Å; P70-Y72 HydrophobicContact CB-CE2 4.05Å; P70-Y72 HydrophobicContact CG-CE2 4.08Å; P70-Y72 WeakPolarHBondContact CG-OH 2.75Å; Y72-K76 WeakPolarHBondContact CD1-O 3.03Å; Y72-E77 CarbonylContact C-O 3.51Å; Y72-E77 WeakPolarHBondContact CA-O 2.81Å; Y72-Q78 HydrophobicContact CD1-CB 4.23Å; Y72-Q78 HydrophobicContact CE1-CB 4.21Å; Y72-F114 PolarHBondContact N-O 2.82Å; Y72-F114 PolarHBondContact O-N 2.8Å |
| 73 | F | 92 | Very high | 92 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | trans | -79 | 172.4 | 164.2 | -78.2 | -58.9 | 0 | 0 | 0 | 110.6 | N75 K76 E77 V79 I102 F107 | F73-N75 WeakPolarHBondContact CB-OD1 3.06Å; F73-N75 PolarHBondContact O-N 2.78Å; F73-K76 WeakPolarHBondContact O-CA 3.47Å; F73-K76 PolarHBondContact O-N 3.23Å; F73-E77 HydrophobicContact CD2-CB 4.42Å; F73-E77 PolarHBondContact N-O 2.7Å; F73-V79 HydrophobicContact CB-CG2 4.18Å; F73-V79 HydrophobicContact CD1-CG2 3.61Å; F73-V79 HydrophobicContact CD2-CG2 3.36Å; F73-V79 HydrophobicContact CE1-CG2 3.78Å; F73-V79 HydrophobicContact CE2-CB 4.41Å; F73-V79 HydrophobicContact CE2-CG2 3.52Å; F73-V79 HydrophobicContact CG-CG2 3.4Å; F73-V79 VanDerWaalsContact CG-CG2 3.4Å; F73-V79 HydrophobicContact CZ-CG1 4.46Å; F73-V79 HydrophobicContact CZ-CG2 3.73Å; F73-I102 HydrophobicContact CE2-CD1 4.07Å; F73-F107 HydrophobicContact CE1-CD1 4.25Å; F73-F107 AromaticContact CE1-CE1 3.35Å; F73-F107 HydrophobicContact CE1-CE1 3.35Å; F73-F107 AromaticContact CE1-CZ 3.82Å; F73-F107 HydrophobicContact CE1-CZ 3.82Å; F73-F107 AromaticContact CZ-CE1 3.59Å; F73-F107 HydrophobicContact CZ-CE1 3.59Å; F73-F107 AromaticContact CZ-CZ 3.51Å; F73-F107 HydrophobicContact CZ-CZ 3.51Å | ||
| 74 | E | 88.3 | Confident | 92.2 | Very high | 158 Ų | 158 | 59.8 Ų | 59.8 | 74% | 0.738 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.8 | 174.7 | -172.3 | 175.2 | -170.1 | 0 | 0 | 112.2 | K76 F114 | E74-K76 PolarHBondContact O-N 3.06Å; E74-K76 VanDerWaalsContact O-N 3.13Å; E74-F114 HydrophobicContact CB-CD2 4.31Å; E74-F114 HydrophobicContact CB-CE2 3.66Å; E74-F114 HydrophobicContact CB-CZ 4.17Å; E74-F114 HydrophobicContact CG-CE2 4.22Å; E74-F114 HydrophobicContact CG-CZ 4.22Å |
| 75 | N | 87.9 | Confident | 92.3 | Very high | 92 Ų | 92 | 61.9 Ų | 61.9 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 5 | 174.8 | 70 | -7 | 0 | 0 | 0 | 113.8 | F73 E77 | F73-N75 WeakPolarHBondContact CB-OD1 3.06Å; F73-N75 PolarHBondContact O-N 2.78Å; N75-E77 WeakPolarHBondContact ND2-CG 3.23Å; N75-E77 PolarHBondContact ND2-OE2 3.24Å; N75-E77 PolarHBondContact O-N 3.41Å; N75-E77 WeakPolarHBondContact OD1-CB 3.46Å; N75-E77 PolarHBondContact OD1-N 2.87Å |
| 76 | K | 86.3 | Confident | 92.3 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | trans | 64.5 | 13.9 | -176.5 | -51 | -176.2 | 175.1 | -161.2 | 0 | 115 | P37 P38 E39 Y72 F73 E74 | P37-K76 HydrophobicContact CB-CB 4.21Å; P37-K76 HydrophobicContact CB-CD 4.4Å; P38-K76 PolarHBondContact O-NZ 2.71Å; E39-K76 PolarHBondContact O-NZ 3.23Å; E39-K76 VanDerWaalsContact O-NZ 3.14Å; Y72-K76 WeakPolarHBondContact CD1-O 3.03Å; F73-K76 WeakPolarHBondContact O-CA 3.47Å; F73-K76 PolarHBondContact O-N 3.23Å; E74-K76 PolarHBondContact O-N 3.06Å; E74-K76 VanDerWaalsContact O-N 3.13Å | ||
| 77 | E | 89.4 | Confident | 92.2 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | trans | -74.3 | 142 | 169.1 | -69.3 | 179.1 | 165.2 | 0 | 0 | 110.3 | Y72 F73 N75 V79 | Y72-E77 CarbonylContact C-O 3.51Å; Y72-E77 WeakPolarHBondContact CA-O 2.81Å; F73-E77 HydrophobicContact CD2-CB 4.42Å; F73-E77 PolarHBondContact N-O 2.7Å; N75-E77 WeakPolarHBondContact ND2-CG 3.23Å; N75-E77 PolarHBondContact ND2-OE2 3.24Å; N75-E77 PolarHBondContact O-N 3.41Å; N75-E77 WeakPolarHBondContact OD1-CB 3.46Å; N75-E77 PolarHBondContact OD1-N 2.87Å; E77-V79 PolarHBondContact O-N 2.8Å | ||
| 78 | Q | 91.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118.6 | 179.8 | -176.5 | 174.7 | 7.6 | 0 | 0 | 110.2 | Y72 G80 | Y72-Q78 HydrophobicContact CD1-CB 4.23Å; Y72-Q78 HydrophobicContact CE1-CB 4.21Å; Q78-G80 PolarHBondContact NE2-O 2.91Å |
| 79 | V | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -42.8 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | I55 V71 F73 E77 V96 L98 A99 I102 F107 | I55-V79 HydrophobicContact CD1-CG1 4.38Å; V71-V79 PolarHBondContact O-N 3.05Å; F73-V79 HydrophobicContact CB-CG2 4.18Å; F73-V79 HydrophobicContact CD1-CG2 3.61Å; F73-V79 HydrophobicContact CD2-CG2 3.36Å; F73-V79 HydrophobicContact CE1-CG2 3.78Å; F73-V79 HydrophobicContact CE2-CB 4.41Å; F73-V79 HydrophobicContact CE2-CG2 3.52Å; F73-V79 HydrophobicContact CG-CG2 3.4Å; F73-V79 VanDerWaalsContact CG-CG2 3.4Å; F73-V79 HydrophobicContact CZ-CG1 4.46Å; F73-V79 HydrophobicContact CZ-CG2 3.73Å; E77-V79 PolarHBondContact O-N 2.8Å; V79-V96 HydrophobicContact CG1-CG1 4.5Å; V79-L98 HydrophobicContact CG1-CD2 3.61Å; V79-A99 PolarHBondContact O-N 3.17Å; V79-I102 WeakPolarHBondContact O-CD1 3.19Å; V79-F107 HydrophobicContact CG1-CE1 4.33Å; V79-F107 HydrophobicContact CG1-CZ 3.79Å |
| 80 | G | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -157.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P70 V71 Q78 T97 | P70-G80 WeakPolarHBondContact CA-O 3.43Å; V71-G80 PolarHBondContact N-O 2.82Å; V71-G80 PolarHBondContact O-N 2.89Å; Q78-G80 PolarHBondContact NE2-O 2.91Å; G80-T97 CarbonylContact C-O 3.5Å; G80-T97 WeakPolarHBondContact CA-O 3.15Å |
| 81 | K | 95 | Very high | 90.4 | Very high | 112 Ų | 112 | 71.2 Ų | 71.2 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.6 | 178.1 | -62.5 | 174.7 | -172.9 | 169.2 | 0 | 109.9 | A69 D83 V96 T97 | A69-K81 CarbonylContact O-C 3.56Å; A69-K81 VanDerWaalsContact O-CA 3.28Å; A69-K81 WeakPolarHBondContact O-CA 3.22Å; K81-D83 PolarHBondContact O-N 3.04Å; K81-V96 CarbonylContact O-C 3.52Å; K81-V96 WeakPolarHBondContact O-CA 3.45Å; K81-T97 PolarHBondContact N-O 2.88Å; K81-T97 PolarHBondContact O-N 3.19Å |
| 82 | V | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 120.6 | 168.5 | 172.7 | 0 | 0 | 0 | 0 | 108.4 | L44 P65 N68 A69 V71 I85 V94 | L44-V82 HydrophobicContact CD2-CG2 4.4Å; P65-V82 HydrophobicContact CB-CG2 4.24Å; P65-V82 HydrophobicContact CG-CG1 4.43Å; P65-V82 HydrophobicContact CG-CG2 4.44Å; N68-V82 WeakPolarHBondContact CA-O 3.45Å; N68-V82 PolarHBondContact N-O 2.83Å; A69-V82 HydrophobicContact CB-CG2 4.35Å; A69-V82 PolarHBondContact O-N 3.27Å; V71-V82 HydrophobicContact CG2-CG2 3.47Å; V71-V82 VanDerWaalsContact CG2-CG2 3.47Å; V82-I85 HydrophobicContact CG1-CD1 4.47Å; V82-I85 HydrophobicContact CG1-CG1 4.07Å; V82-V94 HydrophobicContact CB-CG1 4.18Å; V82-V94 HydrophobicContact CG1-CG1 3.58Å; V82-V94 HydrophobicContact CG2-CG1 3.87Å |
| 83 | D | 94.5 | Very high | 90.4 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -88.2 | 169.1 | -171.3 | 30.9 | 0 | 0 | 0 | 106.6 | Q54 F67 K81 S95 | Q54-D83 PolarHBondContact NE2-OD2 2.82Å; F67-D83 WeakPolarHBondContact CD2-O 3.5Å; F67-D83 VanDerWaalsContact CE2-C 3.48Å; F67-D83 WeakPolarHBondContact CE2-O 3.33Å; K81-D83 PolarHBondContact O-N 3.04Å; D83-S95 PolarHBondContact N-O 2.81Å |
| 84 | E | 94 | Very high | 90.5 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 147.9 | -172.5 | -168.1 | 172.3 | -158 | 0 | 0 | 113.4 | F86 V94 S95 | E84-F86 HydrophobicContact CG-CD1 4.44Å; E84-V94 CarbonylContact O-C 3.57Å; E84-V94 WeakPolarHBondContact O-CA 3.45Å; E84-S95 WeakPolarHBondContact CA-OG 3.08Å; E84-S95 WeakPolarHBondContact CB-OG 3.45Å; E84-S95 PolarHBondContact N-OG 2.88Å; E84-S95 PolarHBondContact O-N 2.89Å; E84-S95 PolarHBondContact O-OG 2.85Å |
| 85 | I | 92.9 | Very high | 90.9 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.7 | 171.7 | -51.1 | 171.5 | 0 | 0 | 0 | 107.4 | V64 P65 V82 H92 F93 V94 | V64-I85 HydrophobicContact CG1-CD1 3.61Å; V64-I85 HydrophobicContact CG1-CG2 4.04Å; P65-I85 HydrophobicContact CG-CD1 3.72Å; P65-I85 HydrophobicContact CG-CG1 4.21Å; P65-I85 WeakPolarHBondContact O-CD1 3.45Å; V82-I85 HydrophobicContact CG1-CD1 4.47Å; V82-I85 HydrophobicContact CG1-CG1 4.07Å; I85-H92 HydrophobicContact CG2-CB 4.15Å; I85-F93 WeakPolarHBondContact CA-O 3.44Å; I85-V94 HydrophobicContact CG1-CG2 4.25Å; I85-V94 HydrophobicContact CG2-CG2 4.28Å |
| 86 | F | 93 | Very high | 91.2 | Very high | 78 Ų | 78 | 59 Ų | 59 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 167.5 | -175.5 | 60.1 | -87 | 0 | 0 | 0 | 111.7 | V56 E84 H92 F93 | V56-F86 HydrophobicContact CG1-CE1 4.48Å; V56-F86 HydrophobicContact CG1-CZ 3.71Å; V56-F86 HydrophobicContact CG2-CZ 4.3Å; E84-F86 HydrophobicContact CG-CD1 4.44Å; F86-H92 CarbonylContact O-C 3.51Å; F86-H92 VanDerWaalsContact O-CA 3.3Å; F86-H92 WeakPolarHBondContact O-CA 3.47Å; F86-H92 WeakPolarHBondContact O-CB 3.44Å; F86-F93 HydrophobicContact CD1-CB 4.35Å; F86-F93 HydrophobicContact CD2-CB 3.78Å; F86-F93 HydrophobicContact CD2-CG 4.5Å; F86-F93 HydrophobicContact CE1-CB 3.97Å; F86-F93 HydrophobicContact CE2-CB 3.36Å; F86-F93 HydrophobicContact CE2-CD2 4.34Å; F86-F93 AromaticContact CE2-CG 3.96Å; F86-F93 HydrophobicContact CE2-CG 3.96Å; F86-F93 HydrophobicContact CG-CB 4.27Å; F86-F93 HydrophobicContact CZ-CB 3.47Å; F86-F93 VanDerWaalsContact CZ-CB 3.47Å; F86-F93 HydrophobicContact CZ-CG 4.36Å; F86-F93 PolarHBondContact N-O 2.97Å; F86-F93 PolarHBondContact O-N 2.87Å |
| 87 | G | 90.5 | Very high | 91.6 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 66% | 0.66 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 96.7 | -158.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 88 | G | 86 | Confident | 91.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 155.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K90 N91 H92 | G88-K90 VanDerWaalsContact C-N 3.26Å; G88-K90 PolarHBondContact O-N 3.19Å; G88-K90 VanDerWaalsContact O-N 3.1Å; G88-N91 PolarHBondContact N-O 2.79Å; G88-N91 CarbonylContact O-C 3.19Å; G88-N91 PolarHBondContact O-N 3.39Å; G88-N91 VanDerWaalsContact O-N 3.09Å; G88-H92 WeakPolarHBondContact O-CA 3.21Å; G88-H92 WeakPolarHBondContact O-CB 3.34Å; G88-H92 PolarHBondContact O-N 2.82Å; G88-H92 VanDerWaalsContact O-N 3.09Å |
| 89 | L | 80.2 | Confident | 91.8 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -40.2 | -178.2 | -75.9 | 174.2 | 0 | 0 | 0 | 114.4 | L123 F126 L127 | L89-L123 HydrophobicContact CB-CD1 4.16Å; L89-L123 HydrophobicContact CD2-CD1 4.23Å; L89-L123 VanDerWaalsContact O-CD1 3.31Å; L89-L123 WeakPolarHBondContact O-CD1 3.08Å; L89-F126 HydrophobicContact CD2-CB 3.75Å; L89-L127 HydrophobicContact CD1-CD2 4.03Å |
| 90 | K | 81.6 | Confident | 91.6 | Very high | 166 Ų | 166 | 58.7 Ų | 58.7 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -19.9 | -179.5 | -64.9 | -172.7 | 177.6 | -171.6 | 0 | 114.3 | G88 | G88-K90 VanDerWaalsContact C-N 3.26Å; G88-K90 PolarHBondContact O-N 3.19Å; G88-K90 VanDerWaalsContact O-N 3.1Å |
| 91 | N | 87.3 | Confident | 91.2 | Very high | 107 Ų | 107 | 62.5 Ų | 62.5 | 57% | 0.572 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 66.8 | -174.4 | -66.2 | -51 | 0 | 0 | 0 | 107.5 | G88 | G88-N91 PolarHBondContact N-O 2.79Å; G88-N91 CarbonylContact O-C 3.19Å; G88-N91 PolarHBondContact O-N 3.39Å; G88-N91 VanDerWaalsContact O-N 3.09Å |
| 92 | H | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 154.9 | 177.9 | 56.4 | -81.1 | 0 | 0 | 0 | 109.9 | C59 I85 F86 G88 | C59-H92 WeakPolarHBondContact CB-NE2 3.35Å; C59-H92 WeakPolarHBondContact CB-O 3.28Å; C59-H92 PolarHBondContact N-O 3.32Å; C59-H92 VanDerWaalsContact SG-CD2 3.56Å; I85-H92 HydrophobicContact CG2-CB 4.15Å; F86-H92 CarbonylContact O-C 3.51Å; F86-H92 VanDerWaalsContact O-CA 3.3Å; F86-H92 WeakPolarHBondContact O-CA 3.47Å; F86-H92 WeakPolarHBondContact O-CB 3.44Å; G88-H92 WeakPolarHBondContact O-CA 3.21Å; G88-H92 WeakPolarHBondContact O-CB 3.34Å; G88-H92 PolarHBondContact O-N 2.82Å; G88-H92 VanDerWaalsContact O-N 3.09Å |
| 93 | F | 94.6 | Very high | 90.4 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 152.6 | 171.5 | -68 | -95 | 0 | 0 | 0 | 108.2 | V56 C57 K58 I85 F86 | V56-F93 HydrophobicContact CG1-CB 4.3Å; V56-F93 HydrophobicContact CG1-CD1 4.04Å; C57-F93 CarbonylContact O-C 3.57Å; C57-F93 VanDerWaalsContact O-CA 3.27Å; C57-F93 WeakPolarHBondContact O-CA 3.41Å; K58-F93 HydrophobicContact CB-CD1 3.97Å; K58-F93 HydrophobicContact CB-CE1 3.71Å; K58-F93 HydrophobicContact CD-CE1 4.35Å; K58-F93 HydrophobicContact CD-CZ 4.45Å; K58-F93 HydrophobicContact CG-CD1 4.36Å; K58-F93 HydrophobicContact CG-CE1 3.87Å; K58-F93 HydrophobicContact CG-CZ 4.19Å; I85-F93 WeakPolarHBondContact CA-O 3.44Å; F86-F93 HydrophobicContact CD1-CB 4.35Å; F86-F93 HydrophobicContact CD2-CB 3.78Å; F86-F93 HydrophobicContact CD2-CG 4.5Å; F86-F93 HydrophobicContact CE1-CB 3.97Å; F86-F93 HydrophobicContact CE2-CB 3.36Å; F86-F93 HydrophobicContact CE2-CD2 4.34Å; F86-F93 AromaticContact CE2-CG 3.96Å; F86-F93 HydrophobicContact CE2-CG 3.96Å; F86-F93 HydrophobicContact CG-CB 4.27Å; F86-F93 HydrophobicContact CZ-CB 3.47Å; F86-F93 VanDerWaalsContact CZ-CB 3.47Å; F86-F93 HydrophobicContact CZ-CG 4.36Å; F86-F93 PolarHBondContact N-O 2.97Å; F86-F93 PolarHBondContact O-N 2.87Å |
| 94 | V | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128 | -179.5 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | C57 C59 P65 V82 E84 I85 V96 | C57-V94 PolarHBondContact N-O 3.37Å; C57-V94 PolarHBondContact O-N 3Å; C59-V94 WeakPolarHBondContact SG-CG2 3.42Å; P65-V94 HydrophobicContact CG-CG2 3.87Å; V82-V94 HydrophobicContact CB-CG1 4.18Å; V82-V94 HydrophobicContact CG1-CG1 3.58Å; V82-V94 HydrophobicContact CG2-CG1 3.87Å; E84-V94 CarbonylContact O-C 3.57Å; E84-V94 WeakPolarHBondContact O-CA 3.45Å; I85-V94 HydrophobicContact CG1-CG2 4.25Å; I85-V94 HydrophobicContact CG2-CG2 4.28Å; V94-V96 HydrophobicContact CG1-CG2 4.11Å |
| 95 | S | 95.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134.6 | 164.3 | 63.7 | 0 | 0 | 0 | 0 | 109.3 | I55 D83 E84 | I55-S95 CarbonylContact O-C 3.48Å; I55-S95 WeakPolarHBondContact O-CA 3.43Å; D83-S95 PolarHBondContact N-O 2.81Å; E84-S95 WeakPolarHBondContact CA-OG 3.08Å; E84-S95 WeakPolarHBondContact CB-OG 3.45Å; E84-S95 PolarHBondContact N-OG 2.88Å; E84-S95 PolarHBondContact O-N 2.89Å; E84-S95 PolarHBondContact O-OG 2.85Å |
| 96 | V | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | Q54 I55 V71 V79 K81 V94 L98 | Q54-V96 CarbonylContact C-O 3.48Å; Q54-V96 WeakPolarHBondContact CA-O 3.15Å; Q54-V96 WeakPolarHBondContact CB-O 3.5Å; I55-V96 HydrophobicContact CD1-CB 4.39Å; I55-V96 HydrophobicContact CG1-CB 3.79Å; I55-V96 HydrophobicContact CG1-CG2 4.43Å; I55-V96 PolarHBondContact N-O 2.9Å; I55-V96 PolarHBondContact O-N 3.12Å; V71-V96 HydrophobicContact CB-CG1 4.08Å; V71-V96 HydrophobicContact CG2-CG1 4.02Å; V71-V96 HydrophobicContact CG2-CG2 4.06Å; V79-V96 HydrophobicContact CG1-CG1 4.5Å; K81-V96 CarbonylContact O-C 3.52Å; K81-V96 WeakPolarHBondContact O-CA 3.45Å; V94-V96 HydrophobicContact CG1-CG2 4.11Å; V96-L98 PolarHBondContact O-N 3.43Å |
| 97 | T | 94.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 118.4 | 168.2 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | Q54 G80 K81 | Q54-T97 PolarHBondContact NE2-OG1 2.74Å; G80-T97 CarbonylContact C-O 3.5Å; G80-T97 WeakPolarHBondContact CA-O 3.15Å; K81-T97 PolarHBondContact N-O 2.88Å; K81-T97 PolarHBondContact O-N 3.19Å |
| 98 | L | 94 | Very high | 88.9 | Confident | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 147.8 | -178.4 | -62.4 | 177.9 | 0 | 0 | 0 | 111 | E53 I55 V79 V96 I102 A104 F107 | E53-L98 WeakPolarHBondContact O-CB 3.48Å; E53-L98 PolarHBondContact O-N 3.3Å; I55-L98 HydrophobicContact CD1-CD2 4.01Å; I55-L98 HydrophobicContact CG1-CD2 3.98Å; I55-L98 HydrophobicContact CG2-CD1 3.96Å; I55-L98 HydrophobicContact CG2-CD2 4.02Å; I55-L98 HydrophobicContact CG2-CG 4.23Å; V79-L98 HydrophobicContact CG1-CD2 3.61Å; V96-L98 PolarHBondContact O-N 3.43Å; L98-I102 HydrophobicContact CD1-CG2 4.27Å; L98-I102 HydrophobicContact CD2-CG2 4.09Å; L98-A104 HydrophobicContact CD1-CB 3.75Å; L98-A104 VanDerWaalsContact CD1-N 3.32Å; L98-F107 HydrophobicContact CD1-CE2 4.2Å; L98-F107 HydrophobicContact CD2-CE2 3.88Å; L98-F107 HydrophobicContact CD2-CZ 3.95Å |
| 99 | A | 90.7 | Very high | 88.9 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 160.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V79 G101 I102 | V79-A99 PolarHBondContact O-N 3.17Å; A99-G101 PolarHBondContact O-N 3.19Å; A99-I102 PolarHBondContact O-N 3.06Å |
| 100 | D | 86.7 | Confident | 89.2 | Confident | 174 Ų | 174 | 66.6 Ų | 66.6 | 93% | 0.93 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.2 | 179.9 | -63 | -37.4 | 0 | 0 | 0 | 111.5 | ||
| 101 | G | 85.5 | Confident | 89.7 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 86% | 0.856 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | -12.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A99 | A99-G101 PolarHBondContact O-N 3.19Š|
| 102 | I | 86.9 | Confident | 90 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | trans | -96.6 | 127.3 | 175.6 | -60.3 | 173.9 | 0 | 0 | 0 | 109.2 | F73 V79 L98 A99 F107 | F73-I102 HydrophobicContact CE2-CD1 4.07Å; V79-I102 WeakPolarHBondContact O-CD1 3.19Å; L98-I102 HydrophobicContact CD1-CG2 4.27Å; L98-I102 HydrophobicContact CD2-CG2 4.09Å; A99-I102 PolarHBondContact O-N 3.06Å; I102-F107 HydrophobicContact CG2-CE2 3.61Å; I102-F107 HydrophobicContact CG2-CZ 3.82Å | ||
| 103 | K | 87.5 | Confident | 90 | Very high | 151 Ų | 151 | 60.5 Ų | 60.5 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | trans | -97.8 | 132.1 | -179.8 | -67.4 | -176.8 | 179.1 | 179.4 | 0 | 110.5 | S105 S106 F107 | K103-S105 PolarHBondContact O-N 2.85Å; K103-S105 VanDerWaalsContact O-N 3.12Å; K103-S106 PolarHBondContact O-N 2.94Å; K103-S106 VanDerWaalsContact O-N 3.09Å; K103-S106 PolarHBondContact O-OG 3.11Å; K103-F107 WeakPolarHBondContact O-CD2 3.29Å | ||
| 104 | A | 88.7 | Confident | 90 | Very high | 10 Ų | 10 | 59 Ų | 59 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -58.6 | -28.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P50 L52 I55 L98 S106 | P50-A104 HydrophobicContact CB-CB 3.75Å; L52-A104 WeakPolarHBondContact O-CB 3.49Å; I55-A104 HydrophobicContact CG2-CB 3.85Å; L98-A104 HydrophobicContact CD1-CB 3.75Å; L98-A104 VanDerWaalsContact CD1-N 3.32Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.32Å |
| 105 | S | 86.9 | Confident | 90 | Very high | 98 Ų | 98 | 59 Ų | 59 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -76.4 | -10.7 | 179.4 | 65.9 | 0 | 0 | 0 | 0 | 115 | K103 F107 | K103-S105 PolarHBondContact O-N 2.85Å; K103-S105 VanDerWaalsContact O-N 3.12Å; S105-F107 VanDerWaalsContact C-N 3.31Å |
| 106 | S | 85.9 | Confident | 89.8 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -83.8 | -10.2 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | K103 A104 | K103-S106 PolarHBondContact O-N 2.94Å; K103-S106 VanDerWaalsContact O-N 3.09Å; K103-S106 PolarHBondContact O-OG 3.11Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.32Å |
| 107 | F | 86.5 | Confident | 89.5 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | trans | -81.8 | 139.3 | 179 | -68.2 | -96.1 | 0 | 0 | 0 | 111.3 | F47 I55 F73 V79 L98 I102 K103 S105 D111 | F47-F107 HydrophobicContact CD1-CB 3.86Å; F47-F107 HydrophobicContact CD2-CB 3.59Å; F47-F107 HydrophobicContact CD2-CD1 4.28Å; F47-F107 HydrophobicContact CD2-CG 4.03Å; F47-F107 HydrophobicContact CE1-CB 3.77Å; F47-F107 WeakPolarHBondContact CE1-O 3.31Å; F47-F107 HydrophobicContact CE2-CB 3.51Å; F47-F107 HydrophobicContact CE2-CG 4.11Å; F47-F107 HydrophobicContact CG-CB 3.74Å; F47-F107 HydrophobicContact CG-CG 4.46Å; F47-F107 HydrophobicContact CZ-CB 3.57Å; I55-F107 HydrophobicContact CD1-CD1 4.13Å; I55-F107 HydrophobicContact CD1-CE1 3.75Å; I55-F107 HydrophobicContact CD1-CE2 4.26Å; I55-F107 HydrophobicContact CD1-CZ 3.84Å; I55-F107 HydrophobicContact CG2-CD2 3.9Å; I55-F107 HydrophobicContact CG2-CE2 4.05Å; I55-F107 HydrophobicContact CG2-CG 4.4Å; F73-F107 HydrophobicContact CE1-CD1 4.25Å; F73-F107 AromaticContact CE1-CE1 3.35Å; F73-F107 HydrophobicContact CE1-CE1 3.35Å; F73-F107 AromaticContact CE1-CZ 3.82Å; F73-F107 HydrophobicContact CE1-CZ 3.82Å; F73-F107 AromaticContact CZ-CE1 3.59Å; F73-F107 HydrophobicContact CZ-CE1 3.59Å; F73-F107 AromaticContact CZ-CZ 3.51Å; F73-F107 HydrophobicContact CZ-CZ 3.51Å; V79-F107 HydrophobicContact CG1-CE1 4.33Å; V79-F107 HydrophobicContact CG1-CZ 3.79Å; L98-F107 HydrophobicContact CD1-CE2 4.2Å; L98-F107 HydrophobicContact CD2-CE2 3.88Å; L98-F107 HydrophobicContact CD2-CZ 3.95Å; I102-F107 HydrophobicContact CG2-CE2 3.61Å; I102-F107 HydrophobicContact CG2-CZ 3.82Å; K103-F107 WeakPolarHBondContact O-CD2 3.29Å; S105-F107 VanDerWaalsContact C-N 3.31Å; F107-D111 VanDerWaalsContact CA-OD2 3.26Å; F107-D111 WeakPolarHBondContact CA-OD2 3.45Å; F107-D111 HydrophobicContact CD1-CB 4.22Å | ||
| 108 | T | 86.4 | Confident | 89.2 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | trans | -108.2 | 156.9 | 173.5 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | F47 D110 D111 | F47-T108 VanDerWaalsContact CD1-C 3.49Å; F47-T108 WeakPolarHBondContact CD1-O 3.3Å; T108-D110 PolarHBondContact O-N 3.44Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 WeakPolarHBondContact O-CB 3.42Å; T108-D111 PolarHBondContact O-N 2.81Å; T108-D111 PolarHBondContact OG1-OD1 2.79Å; T108-D111 PolarHBondContact OG1-OD2 3.12Å | ||
| 109 | A | 84.3 | Confident | 89 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -12.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | V46 | V46-A109 WeakPolarHBondContact CG1-O 3.42Š|
| 110 | D | 87.5 | Confident | 89 | Confident | 140 Ų | 140 | 70.7 Ų | 70.7 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -2.8 | 178.1 | -65.5 | -44 | 0 | 0 | 0 | 113.1 | T108 K112 | T108-D110 PolarHBondContact O-N 3.44Å; D110-K112 PolarHBondContact O-N 2.84Å |
| 111 | D | 91.5 | Very high | 89.1 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -70.4 | 128.2 | -177.6 | -70.6 | -21.8 | 0 | 0 | 0 | 111.3 | F47 F107 T108 | F47-D111 HydrophobicContact CB-CB 4.23Å; F47-D111 WeakPolarHBondContact CB-O 3.29Å; F47-D111 PolarHBondContact N-O 3.46Å; F107-D111 VanDerWaalsContact CA-OD2 3.26Å; F107-D111 WeakPolarHBondContact CA-OD2 3.45Å; F107-D111 HydrophobicContact CD1-CB 4.22Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 WeakPolarHBondContact O-CB 3.42Å; T108-D111 PolarHBondContact O-N 2.81Å; T108-D111 PolarHBondContact OG1-OD1 2.79Å; T108-D111 PolarHBondContact OG1-OD2 3.12Å | ||
| 112 | K | 93.3 | Very high | 89.1 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.3 | 179.6 | -65 | -178.2 | 173.7 | -160.6 | 0 | 110.8 | E43 V46 D110 F114 | E43-K112 HydrophobicContact CG-CD 4.34Å; E43-K112 IonicContact OE1-NZ 3.97Å; E43-K112 IonicContact OE2-NZ 2.79Å; E43-K112 PolarHBondContact OE2-NZ 3.27Å; V46-K112 HydrophobicContact CG2-CG 4.43Å; D110-K112 PolarHBondContact O-N 2.84Å; K112-F114 HydrophobicContact CB-CE2 3.82Å; K112-F114 HydrophobicContact CB-CZ 4.17Å |
| 113 | V | 93.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.2 | 171 | -69.3 | 0 | 0 | 0 | 0 | 110.3 | L44 G45 I55 C57 V71 | L44-V113 HydrophobicContact CB-CG2 4.23Å; L44-V113 WeakPolarHBondContact CB-O 3.48Å; L44-V113 HydrophobicContact CD2-CG2 4.34Å; L44-V113 HydrophobicContact CG-CG2 4.47Å; L44-V113 PolarHBondContact N-O 3.23Å; G45-V113 PolarHBondContact N-O 2.88Å; G45-V113 VanDerWaalsContact O-CG2 3.29Å; G45-V113 WeakPolarHBondContact O-CG2 3.42Å; G45-V113 PolarHBondContact O-N 2.65Å; I55-V113 HydrophobicContact CD1-CG1 4.25Å; C57-V113 HydrophobicContact CB-CG2 3.92Å; V71-V113 HydrophobicContact CG1-CB 3.64Å; V71-V113 HydrophobicContact CG1-CG1 4.1Å; V71-V113 HydrophobicContact CG1-CG2 4.41Å |
| 114 | F | 94.7 | Very high | 88.3 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.2 | -175.4 | -64.9 | -97.7 | 0 | 0 | 0 | 111.3 | V41 T42 E43 V71 Y72 E74 K112 | V41-F114 HydrophobicContact CB-CB 3.96Å; V41-F114 HydrophobicContact CG2-CB 4.01Å; V41-F114 HydrophobicContact CG2-CD1 4.03Å; V41-F114 HydrophobicContact CG2-CG 4.22Å; T42-F114 CarbonylContact O-C 3.34Å; T42-F114 VanDerWaalsContact O-CA 3.29Å; T42-F114 WeakPolarHBondContact O-CA 3.46Å; E43-F114 HydrophobicContact CB-CE1 4.32Å; V71-F114 WeakPolarHBondContact CG1-O 3.1Å; Y72-F114 PolarHBondContact N-O 2.82Å; Y72-F114 PolarHBondContact O-N 2.8Å; E74-F114 HydrophobicContact CB-CD2 4.31Å; E74-F114 HydrophobicContact CB-CE2 3.66Å; E74-F114 HydrophobicContact CB-CZ 4.17Å; E74-F114 HydrophobicContact CG-CE2 4.22Å; E74-F114 HydrophobicContact CG-CZ 4.22Å; K112-F114 HydrophobicContact CB-CE2 3.82Å; K112-F114 HydrophobicContact CB-CZ 4.17Å |
| 115 | I | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153.9 | 179.7 | -165.3 | 170.1 | 0 | 0 | 0 | 110.7 | T42 L44 P65 A69 K119 L120 | T42-I115 PolarHBondContact N-O 3.22Å; T42-I115 PolarHBondContact O-N 2.88Å; L44-I115 HydrophobicContact CB-CB 4.16Å; L44-I115 HydrophobicContact CB-CG2 3.85Å; L44-I115 HydrophobicContact CD1-CG2 4.12Å; L44-I115 HydrophobicContact CD2-CB 4.37Å; L44-I115 HydrophobicContact CD2-CD1 4.38Å; L44-I115 HydrophobicContact CG-CG2 4.4Å; P65-I115 HydrophobicContact CB-CD1 3.57Å; A69-I115 HydrophobicContact CB-CD1 3.89Å; I115-K119 HydrophobicContact CD1-CB 4.22Å; I115-K119 HydrophobicContact CG1-CB 4.25Å; I115-L120 HydrophobicContact CD1-CD2 4.29Å; I115-L120 HydrophobicContact CG2-CD1 4.18Å; I115-L120 HydrophobicContact CG2-CD2 3.76Å; I115-L120 HydrophobicContact CG2-CG 4.04Å |
| 116 | D | 91.9 | Very high | 87.2 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | trans | -62 | 125 | 167.8 | 176 | 3.8 | 0 | 0 | 0 | 110.4 | P38 Y118 K119 | P38-D116 HydrophobicContact CB-CB 4.24Å; P38-D116 HydrophobicContact CG-CB 3.91Å; D116-Y118 PolarHBondContact O-N 3.33Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.21Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.32Å; D116-Y118 PolarHBondContact OD1-N 2.91Å; D116-K119 HydrophobicContact CB-CB 4.35Å; D116-K119 HydrophobicContact CB-CG 3.88Å; D116-K119 WeakPolarHBondContact O-CA 3.26Å; D116-K119 WeakPolarHBondContact O-CB 3.38Å; D116-K119 PolarHBondContact O-N 2.9Å | ||
| 117 | P | 88.1 | Confident | 86.8 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -60 | -24.5 | 176.7 | 25.7 | -35.7 | 0 | 0 | 0 | 113.9 | H40 K119 L120 | H40-P117 WeakPolarHBondContact O-CD 3.4Å; P117-K119 PolarHBondContact O-N 3.49Å; P117-L120 PolarHBondContact O-N 2.82Å |
| 118 | Y | 88.2 | Confident | 86 | Confident | 196 Ų | 196 | 74.2 Ų | 74.2 | 77% | 0.769 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -71.8 | -14.8 | 173.5 | -63.3 | -69.6 | 0 | 0 | 0 | 112.7 | D116 | D116-Y118 PolarHBondContact O-N 3.33Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.21Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.32Å; D116-Y118 PolarHBondContact OD1-N 2.91Å |
| 119 | K | 90.9 | Very high | 85 | Confident | 91 Ų | 91 | 74 Ų | 74 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -98 | 24.6 | 174 | -53.8 | -62.6 | -178.6 | 179.2 | 0 | 112.7 | P65 Y66 A69 I115 D116 P117 | P65-K119 WeakPolarHBondContact CA-O 3.02Å; Y66-K119 HydrophobicContact CD2-CB 4.19Å; Y66-K119 VanDerWaalsContact CD2-O 3.23Å; Y66-K119 WeakPolarHBondContact CD2-O 3.46Å; Y66-K119 PolarHBondContact N-O 3.43Å; A69-K119 HydrophobicContact CB-CB 4.11Å; I115-K119 HydrophobicContact CD1-CB 4.22Å; I115-K119 HydrophobicContact CG1-CB 4.25Å; D116-K119 HydrophobicContact CB-CB 4.35Å; D116-K119 HydrophobicContact CB-CG 3.88Å; D116-K119 WeakPolarHBondContact O-CA 3.26Å; D116-K119 WeakPolarHBondContact O-CB 3.38Å; D116-K119 PolarHBondContact O-N 2.9Å; P117-K119 PolarHBondContact O-N 3.49Å |
| 120 | L | 90.1 | Very high | 83.7 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | 172.5 | -65.9 | 176.3 | 0 | 0 | 0 | 111.3 | L44 T61 K63 P65 I115 P117 | L44-L120 HydrophobicContact CD1-CD2 4.3Å; T61-L120 HydrophobicContact CG2-CD1 4.32Å; K63-L120 HydrophobicContact CB-CB 3.82Å; K63-L120 HydrophobicContact CB-CD1 4.23Å; K63-L120 HydrophobicContact CB-CD2 4.44Å; K63-L120 HydrophobicContact CB-CG 4.4Å; K63-L120 HydrophobicContact CD-CB 3.93Å; K63-L120 HydrophobicContact CD-CD1 4.1Å; P65-L120 HydrophobicContact CB-CD2 4.17Å; I115-L120 HydrophobicContact CD1-CD2 4.29Å; I115-L120 HydrophobicContact CG2-CD1 4.18Å; I115-L120 HydrophobicContact CG2-CD2 3.76Å; I115-L120 HydrophobicContact CG2-CG 4.04Å; P117-L120 PolarHBondContact O-N 2.82Å |
| 121 | L | 89.4 | Confident | 82.3 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.9 | 171.1 | -69.9 | 167.6 | 0 | 0 | 0 | 110.4 | K63 V64 Y66 R125 F126 | K63-L121 WeakPolarHBondContact CA-O 3.34Å; K63-L121 WeakPolarHBondContact CB-O 3.35Å; V64-L121 PolarHBondContact N-O 2.87Å; V64-L121 WeakPolarHBondContact O-CA 3.35Å; V64-L121 WeakPolarHBondContact O-CB 3.18Å; V64-L121 PolarHBondContact O-N 3.03Å; Y66-L121 HydrophobicContact CD1-CD1 4.08Å; Y66-L121 HydrophobicContact CD1-CD2 4.29Å; Y66-L121 HydrophobicContact CD1-CG 4.13Å; Y66-L121 HydrophobicContact CD2-CG 4.33Å; Y66-L121 HydrophobicContact CE1-CD1 4.11Å; Y66-L121 HydrophobicContact CE1-CD2 3.51Å; Y66-L121 HydrophobicContact CE1-CG 3.82Å; Y66-L121 HydrophobicContact CE2-CD2 4.11Å; Y66-L121 HydrophobicContact CE2-CG 4.02Å; Y66-L121 HydrophobicContact CG-CD1 4.49Å; Y66-L121 HydrophobicContact CG-CG 4.37Å; Y66-L121 WeakPolarHBondContact OH-CD2 3.49Å; L121-R125 VanDerWaalsContact CD2-NH1 3.31Å; L121-F126 HydrophobicContact CB-CE2 3.97Å; L121-F126 HydrophobicContact CB-CZ 4.43Å; L121-F126 HydrophobicContact CD1-CE2 4.28Å; L121-F126 HydrophobicContact CD1-CZ 3.9Å |
| 122 | P | 85.2 | Confident | 80.7 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | trans | -60.2 | 138.3 | 170.8 | -22.5 | 32.9 | 0 | 0 | 0 | 111.7 | E124 R125 | P122-E124 PolarHBondContact O-N 3.11Å; P122-E124 VanDerWaalsContact O-N 3.12Å; P122-R125 WeakPolarHBondContact O-CB 3.33Å; P122-R125 PolarHBondContact O-N 3.3Å | ||
| 123 | L | 77.2 | Confident | 78.8 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -54.1 | -33.5 | 178.8 | -172.3 | 66.5 | 0 | 0 | 0 | 112.8 | V64 L89 R125 F126 | V64-L123 HydrophobicContact CG2-CD1 4.36Å; L89-L123 HydrophobicContact CB-CD1 4.16Å; L89-L123 HydrophobicContact CD2-CD1 4.23Å; L89-L123 VanDerWaalsContact O-CD1 3.31Å; L89-L123 WeakPolarHBondContact O-CD1 3.08Å; L123-R125 PolarHBondContact O-N 2.7Å; L123-R125 VanDerWaalsContact O-N 3.07Å; L123-F126 PolarHBondContact O-N 2.74Å |
| 124 | E | 79.4 | Confident | 76.8 | Confident | 143 Ų | 143 | 89.2 Ų | 89.2 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -54 | -29.4 | 177.8 | -64.1 | 179.5 | 179.8 | 0 | 0 | 112.9 | P122 F126 L127 A130 | P122-E124 PolarHBondContact O-N 3.11Å; P122-E124 VanDerWaalsContact O-N 3.12Å; E124-F126 PolarHBondContact O-N 3.19Å; E124-L127 PolarHBondContact O-N 2.96Å; E124-L127 VanDerWaalsContact O-N 3.16Å; E124-A130 WeakPolarHBondContact O-CB 3.44Å |
| 125 | R | 76.2 | Confident | 74.7 | Confident | 159 Ų | 159 | 98.9 Ų | 98.9 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.3 | 176.2 | -69.5 | -173.6 | 174.8 | -150.2 | 5.7 | 113.5 | L121 P122 L123 | L121-R125 VanDerWaalsContact CD2-NH1 3.31Å; P122-R125 WeakPolarHBondContact O-CB 3.33Å; P122-R125 PolarHBondContact O-N 3.3Å; L123-R125 PolarHBondContact O-N 2.7Å; L123-R125 VanDerWaalsContact O-N 3.07Å |
| 126 | F | 76.9 | Confident | 72.5 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 41% | 0.408 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -95.9 | -8.4 | 178.4 | -59.3 | -86.2 | 0 | 0 | 0 | 112.6 | V64 L89 L121 L123 E124 | V64-F126 HydrophobicContact CB-CD2 4.36Å; V64-F126 HydrophobicContact CB-CE2 3.53Å; V64-F126 HydrophobicContact CB-CZ 3.92Å; V64-F126 HydrophobicContact CG1-CE2 3.91Å; V64-F126 HydrophobicContact CG1-CZ 3.74Å; V64-F126 HydrophobicContact CG2-CD2 3.94Å; V64-F126 HydrophobicContact CG2-CE2 3.62Å; V64-F126 HydrophobicContact CG2-CZ 4.25Å; L89-F126 HydrophobicContact CD2-CB 3.75Å; L121-F126 HydrophobicContact CB-CE2 3.97Å; L121-F126 HydrophobicContact CB-CZ 4.43Å; L121-F126 HydrophobicContact CD1-CE2 4.28Å; L121-F126 HydrophobicContact CD1-CZ 3.9Å; L123-F126 PolarHBondContact O-N 2.74Å; E124-F126 PolarHBondContact O-N 3.19Å |
| 127 | L | 76.8 | Confident | 70.3 | Confident | 81 Ų | 81 | 113.1 Ų | 113.1 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -85.1 | 138.5 | 176.5 | -64.6 | 178.3 | 0 | 0 | 0 | 111.1 | L89 E124 G129 A130 | L89-L127 HydrophobicContact CD1-CD2 4.03Å; E124-L127 PolarHBondContact O-N 2.96Å; E124-L127 VanDerWaalsContact O-N 3.16Å; L127-G129 PolarHBondContact O-N 3.44Å; L127-A130 PolarHBondContact O-N 3.19Å; L127-A130 VanDerWaalsContact O-N 3.16Å |
| 128 | P | 71.2 | Confident | 68.2 | Low | 136 Ų | 136 | 114.6 Ų | 114.6 | 88% | 0.883 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 106.3 | 175.7 | 27.6 | -32.9 | 0 | 0 | 0 | 109.1 | ||
| 129 | G | 65.9 | Low | 66.3 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.2 | -0.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | L127 T131 | L127-G129 PolarHBondContact O-N 3.44Å; G129-T131 PolarHBondContact O-N 2.76Å |
| 130 | A | 55.9 | Low | 63.9 | Low | 37 Ų | 37 | 117.4 Ų | 117.4 | 31% | 0.306 | 62% | 0.624 | S | S | . | * | trans | -51.5 | 111 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108 | E124 L127 Q132 | E124-A130 WeakPolarHBondContact O-CB 3.44Å; L127-A130 PolarHBondContact O-N 3.19Å; L127-A130 VanDerWaalsContact O-N 3.16Å; A130-Q132 PolarHBondContact O-N 2.96Å | ||
| 131 | T | 58.6 | Low | 61.7 | Low | 131 Ų | 131 | 120.5 Ų | 120.5 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -60.4 | 90.3 | 165 | 178.6 | 0 | 0 | 0 | 0 | 105.4 | G129 S133 | G129-T131 PolarHBondContact O-N 2.76Å; T131-S133 PolarHBondContact O-N 3.4Å | ||
| 132 | Q | 56.6 | Low | 59.4 | Low | 169 Ų | 169 | 122.2 Ų | 122.2 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | trans | -54 | 104.9 | 166.3 | -71.9 | -173.9 | -45.7 | 0 | 0 | 103.4 | A130 R134 | A130-Q132 PolarHBondContact O-N 2.96Å; Q132-R134 VanDerWaalsContact C-N 3.3Å; Q132-R134 PolarHBondContact O-N 3.09Å | ||
| 133 | S | 54.7 | Low | 57.8 | Low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | trans | -44.1 | 105.3 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 105.3 | T131 R135 | T131-S133 PolarHBondContact O-N 3.4Å; S133-R135 PolarHBondContact O-N 2.83Å | ||
| 134 | R | 51.8 | Low | 56.3 | Low | 245 Ų | 245 | 133.8 Ų | 133.8 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -67.6 | 75.5 | -175.6 | -75.7 | -168.2 | -165.3 | 172.1 | 4.6 | 106.7 | Q132 G136 | Q132-R134 VanDerWaalsContact C-N 3.3Å; Q132-R134 PolarHBondContact O-N 3.09Å; R134-G136 VanDerWaalsContact C-N 3.26Å; R134-G136 PolarHBondContact O-N 2.94Å | ||
| 135 | R | 50.4 | Low | 54.8 | Low | 233 Ų | 233 | 138.4 Ų | 138.4 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -95 | 71.6 | 175.3 | -153.6 | 138.5 | 178.7 | 152.3 | -4 | 107.2 | S133 | S133-R135 PolarHBondContact O-N 2.83Š| ||
| 136 | G | 46.4 | Very low | 53.8 | Low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 90.7 | 93.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R134 | R134-G136 VanDerWaalsContact C-N 3.26Å; R134-G136 PolarHBondContact O-N 2.94Å |
| 137 | R | 46.3 | Very low | 52.5 | Low | 260 Ų | 260 | 142.6 Ų | 142.6 | 98% | 0.981 | 77% | 0.774 | S | S | * | * | 169.7 | 131.1 | 115.7 | -97.8 | 174.9 | 164.6 | -135.4 | -0.8 | 110.9 | |||||
| 138 | G | 45 | Very low | 51 | Low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 107.1 | 79.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | R | 46.9 | Very low | 49.6 | Very low | 258 Ų | 258 | 139.4 Ų | 139.4 | 97% | 0.974 | 79% | 0.785 | S | S | * | * | 66.9 | 109 | 95.8 | -82.5 | -175.1 | 169.3 | 176.1 | -2.9 | 114 | |||||
| 140 | G | 42.2 | Very low | 48.8 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | 94.7 | 96.3 | 134 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 141 | G | 42 | Very low | 48.7 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 162.2 | 87.2 | 156 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 142 | G | 40.8 | Very low | 48.1 | Very low | 59 Ų | 59 | 153.1 Ų | 153.1 | 61% | 0.608 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 65.5 | 143.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 143 | D | 51.8 | Low | 47.5 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | cis | -156.3 | 87.1 | -0.1 | -79.6 | -66.1 | 0 | 0 | 0 | 104.4 | ||||
| 144 | F | 46 | Very low | 47 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | -116.4 | 51.9 | 164.8 | -62.6 | -76.1 | 0 | 0 | 0 | 109.3 | A146 | F144-A146 PolarHBondContact O-N 3.29Š| ||
| 145 | R | 48.8 | Very low | 46.9 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -77.7 | 44.8 | 155 | -71.4 | -174.6 | -179.1 | 157.3 | 0.8 | 110.7 | ||||
| 146 | A | 54.1 | Low | 46.8 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -149.5 | 100.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | F144 | F144-A146 PolarHBondContact O-N 3.29Š|
| 147 | R | 50.3 | Low | 46.9 | Very low | 259 Ų | 259 | 151.8 Ų | 151.8 | 98% | 0.977 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 118.6 | 64.5 | 161.1 | -153.4 | 172.3 | -160.3 | 161.7 | 2.7 | 114.6 | ||
| 148 | G | 44.7 | Very low | 46.8 | Very low | 83 Ų | 83 | 151.7 Ų | 151.7 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -175 | 35.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 149 | G | 43 | Very low | 47.1 | Very low | 66 Ų | 66 | 153.5 Ų | 153.5 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | trans | -80.2 | 152 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 150 | R | 48.8 | Very low | 46.9 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | 94.6 | 77.8 | 162.3 | -50.2 | -171.7 | -122.1 | -126.3 | 5.3 | 116.2 | ||||
| 151 | F | 53.4 | Low | 47 | Very low | 222 Ų | 222 | 142.5 Ų | 142.5 | 97% | 0.974 | 80% | 0.797 | S | S | * | * | -149.7 | 76.1 | 128.3 | -79 | -67.6 | 0 | 0 | 0 | 108.5 | |||||
| 152 | G | 45.3 | Very low | 47.3 | Very low | 84 Ų | 84 | 150.1 Ų | 150.1 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 111.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 153 | G | 44.4 | Very low | 47.5 | Very low | 58 Ų | 58 | 152.5 Ų | 152.5 | 60% | 0.598 | 80% | 0.804 | S | S | * | * | trans | -110.3 | 155.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 154 | D | 44.2 | Very low | 47 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 81.2 | 83.1 | 165.5 | -43.3 | -46.5 | 0 | 0 | 0 | 116.9 | ||||
| 155 | R | 50.6 | Low | 46.9 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | -166.8 | 99.7 | 124.9 | -104.4 | 173.5 | -77 | 173.5 | -4.5 | 111.8 | |||||
| 156 | G | 47.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -75 | -174.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 157 | R | 48.4 | Very low | 45.8 | Very low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 99 | 86.2 | -177.5 | -58.4 | -175.3 | -168.9 | -82 | -0.1 | 112.4 | ||||
| 158 | W | 44.2 | Very low | 45.6 | Very low | 258 Ų | 258 | 145.6 Ų | 145.6 | 98% | 0.977 | 79% | 0.792 | S | S | * | * | 62.4 | 95.7 | 73.4 | -157.3 | -38.1 | 0 | 0 | 0 | 112.7 | |||||
| 159 | S | 51.8 | Low | 45.9 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -170 | 133.1 | 142.5 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 160 | G | 42.9 | Very low | 45.8 | Very low | 46 Ų | 46 | 147.7 Ų | 147.7 | 47% | 0.474 | 79% | 0.793 | S | S | . | * | trans | 123.1 | 64.9 | 157 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 161 | G | 43.7 | Very low | 45.5 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 173.6 | 151 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 162 | R | 50 | Low | 44.9 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | 91.2 | 96.5 | 168.8 | -56.6 | -156.9 | -63.8 | -163.1 | -0.1 | 115.7 | ||||
| 163 | T | 43.1 | Very low | 44.7 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | 138.7 | 108.3 | 103.6 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 164 | Q | 41.5 | Very low | 44.5 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 94.5 | 131 | 132.3 | -80 | 176.5 | 7.2 | 0 | 0 | 123.1 | ||||
| 165 | R | 45.3 | Very low | 44.6 | Very low | 219 Ų | 219 | 150 Ų | 150 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 82 | 140.7 | -71.6 | 167 | -171.3 | -156.5 | 2.4 | 116.8 | ||||
| 166 | G | 37.6 | Very low | 44 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | 58.6 | 120 | 106.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 167 | F | 41.3 | Very low | 43.7 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | -163.3 | 147.5 | 116.8 | -127.3 | -99.2 | 0 | 0 | 0 | 110.2 | |||||
| 168 | T | 46.8 | Very low | 43.5 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -99.7 | -171.1 | -161 | -14.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 169 | P | 50.4 | Low | 43.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -118.6 | 157.5 | -134 | 31.1 | -7.8 | 0 | 0 | 0 | 114.8 | ||||
| 170 | G | 41.7 | Very low | 43.1 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -131.6 | 113.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 171 | R | 42 | Very low | 42.8 | Very low | 254 Ų | 254 | 141.9 Ų | 141.9 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | 74.3 | 117.8 | 50.1 | -154.6 | -174.6 | -159.3 | -165 | 6.1 | 111.8 | |||||
| 172 | G | 40.2 | Very low | 42.8 | Very low | 67 Ų | 67 | 150 Ų | 150 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 121.3 | 86 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | S | 41.4 | Very low | 42.3 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | 72.5 | 124.3 | 47.3 | 88.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 174 | D | 39.9 | Very low | 42.4 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 83.7 | 112.4 | 149.1 | -39.1 | -51.1 | 0 | 0 | 0 | 119.4 | ||||
| 175 | R | 45.6 | Very low | 42.3 | Very low | 244 Ų | 244 | 142.8 Ų | 142.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | 157.1 | 138 | 98.2 | -79.3 | -173.6 | -159.8 | 168.5 | 6.1 | 113.2 | |||||
| 176 | G | 39.9 | Very low | 42 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 99.9 | 101 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 177 | D | 39.7 | Very low | 42.2 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | cis | 62 | 140.3 | 46.3 | -156.5 | -147.9 | 0 | 0 | 0 | 115.4 | ||||
| 178 | Y | 44 | Very low | 42.1 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 88.7 | 97.7 | 176 | -43.7 | -68.1 | 0 | 0 | 0 | 118.5 | ||||
| 179 | G | 43.5 | Very low | 41.9 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 170.5 | 73.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 180 | R | 44.1 | Very low | 41.4 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | trans | -37.9 | 134.9 | -174.3 | -74.9 | -165.3 | -176.4 | -85.7 | 3.3 | 116.5 | ||||
| 181 | G | 37.2 | Very low | 41.4 | Very low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 133.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 182 | R | 44.1 | Very low | 41.2 | Very low | 238 Ų | 238 | 145.5 Ų | 145.5 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -137.9 | 66.9 | 143.6 | -82.5 | -166.7 | 178.5 | -172.5 | 0.6 | 107.4 | ||||
| 183 | G | 39.3 | Very low | 41.1 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -107 | 97.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 184 | Y | 45.1 | Very low | 40.8 | Very low | 215 Ų | 215 | 154.4 Ų | 154.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -66.8 | 141.2 | 167 | 24 | -84.5 | 0 | 0 | 0 | 108.8 | ||||
| 185 | G | 39.6 | Very low | 40.6 | Very low | 56 Ų | 56 | 151.9 Ų | 151.9 | 58% | 0.577 | 79% | 0.789 | S | S | * | * | trans | -58.2 | 153.3 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 186 | R | 39.3 | Very low | 40.1 | Very low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | 83.3 | 116.6 | 98.8 | -74.2 | -177.3 | -151.9 | 172.1 | 5.7 | 109.3 | |||||
| 187 | D | 40.1 | Very low | 39.6 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | cis | -158.4 | 117.8 | 28.6 | -69.4 | -68 | 0 | 0 | 0 | 108.9 | ||||
| 188 | F | 39.9 | Very low | 39.6 | Very low | 218 Ų | 218 | 147.5 Ų | 147.5 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | trans | -114.4 | 87.7 | 151.1 | -80.9 | -82.9 | 0 | 0 | 0 | 106.9 | N190 | F188-N190 PolarHBondContact O-N 2.88Š| ||
| 189 | K | 42.7 | Very low | 39.8 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -60.3 | 88.7 | 161.8 | -84.7 | 175.4 | 173.6 | 171.2 | 0 | 108.1 | ||||
| 190 | N | 40.9 | Very low | 39.9 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -101.1 | 76.9 | 153 | -162.6 | -8 | 0 | 0 | 0 | 107.1 | F188 N192 | F188-N190 PolarHBondContact O-N 2.88Å; N190-N192 PolarHBondContact O-N 3.3Å | ||
| 191 | S | 41.1 | Very low | 39.6 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | trans | -90.6 | 93.5 | 169.7 | 45.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 192 | N | 36.8 | Very low | 39.7 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 4.5 | 112.9 | 145.1 | -61 | -40.8 | 0 | 0 | 0 | 115.5 | N190 | N190-N192 PolarHBondContact O-N 3.3Š| ||
| 193 | H | 38.1 | Very low | 39.4 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -133.9 | 102.7 | 141.6 | -77 | 66.8 | 0 | 0 | 0 | 104.3 | ||||
| 194 | E | 35.2 | Very low | 39.2 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | 86.7 | 126 | 81.8 | -169.3 | 172 | 144 | 0 | 0 | 111.8 | |||||
| 195 | G | 36.2 | Very low | 39 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | 103.8 | 103.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 196 | G | 34.8 | Very low | 39.1 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | cis | 113.7 | 100.6 | 29.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 197 | G | 30.1 | Very low | 39 | Very low | 62 Ų | 62 | 147.2 Ų | 147.2 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | 79.3 | 118.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 198 | F | 40.2 | Very low | 38.6 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | 79.1 | 112.2 | 130.5 | -61.7 | -79.1 | 0 | 0 | 0 | 121.2 | ||||
| 199 | A | 47.1 | Very low | 38.5 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -38.1 | 141.3 | 148 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 200 | N | 45.4 | Very low | 38.3 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -179.2 | 130.3 | 151.2 | -86.9 | -51.1 | 0 | 0 | 0 | 106 | ||||
| 201 | R | 38.6 | Very low | 37.8 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | cis | -173.3 | 161.7 | 4.9 | -133.2 | -176.1 | -83 | -170.7 | 0.5 | 107.1 | ||||
| 202 | R | 39.1 | Very low | 37.4 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | 83.7 | 91.9 | 157.5 | -72.4 | -178 | 176 | 174.1 | -1.2 | 119.8 | ||||
| 203 | G | 38.4 | Very low | 37.5 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -152.4 | 53.7 | 144 | 0 | 0 | 0 | 0 | 0 | 109.4 | F205 | G203-F205 PolarHBondContact O-N 3.29Å; G203-F205 VanDerWaalsContact O-N 3.14Å | ||
| 204 | E | 35.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 105.5 | 161.7 | -85.9 | 170.7 | 105.7 | 0 | 0 | 108.4 | ||||
| 205 | F | 39.6 | Very low | 37.7 | Very low | 201 Ų | 201 | 149 Ų | 149 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -133.2 | 84.8 | 137.3 | -85.3 | -80.3 | 0 | 0 | 0 | 107.1 | G203 | G203-F205 PolarHBondContact O-N 3.29Å; G203-F205 VanDerWaalsContact O-N 3.14Å | ||
| 206 | N | 42.6 | Very low | 37.5 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | 29.6 | 97.3 | 138.5 | -72.3 | -67.6 | 0 | 0 | 0 | 116.5 | G208 | N206-G208 VanDerWaalsContact C-N 3.29Å; N206-G208 PolarHBondContact O-N 3.15Å | ||
| 207 | R | 36 | Very low | 37.5 | Very low | 265 Ų | 265 | 156.9 Ų | 156.9 | 100% | 1 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -62.4 | 100 | 132.1 | -74.2 | -174 | -160 | 170.7 | 5.4 | 107.1 | ||
| 208 | G | 33.6 | Very low | 37.6 | Very low | 61 Ų | 61 | 157.9 Ų | 157.9 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -179.3 | 48.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N206 | N206-G208 VanDerWaalsContact C-N 3.29Å; N206-G208 PolarHBondContact O-N 3.15Å | ||
| 209 | R | 37.8 | Very low | 37.3 | Very low | 234 Ų | 234 | 151.1 Ų | 151.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -157.3 | 83.6 | 153.1 | -149.6 | 174.1 | -178.7 | -168.8 | -0.1 | 108.1 | ||||
| 210 | S | 38.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 156.4 Ų | 156.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 39.5 | 111.6 | 93.2 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 211 | G | 29.6 | Very low | 36.4 | Very low | 57 Ų | 57 | 158.4 Ų | 158.4 | 59% | 0.588 | 80% | 0.801 | S | S | * | * | trans | 157.1 | 69.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 212 | F | 33.2 | Very low | 36.3 | Very low | 183 Ų | 183 | 161.9 Ų | 161.9 | 80% | 0.803 | 81% | 0.814 | S | S | * | * | trans | 43.9 | 98.5 | 143.4 | -70.8 | -96.9 | 0 | 0 | 0 | 118.9 | ||||
| 213 | F | 39.6 | Very low | 36.2 | Very low | 214 Ų | 214 | 154.7 Ų | 154.7 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | -143.4 | 67.7 | 127 | -58.4 | -70.2 | 0 | 0 | 0 | 107.4 | |||||
| 214 | E | 41.3 | Very low | 36 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -70.2 | 134.2 | 166.6 | -163 | 148.9 | -173.5 | 0 | 0 | 108.9 | G216 | E214-G216 PolarHBondContact O-N 3.14Š| ||
| 215 | R | 35.2 | Very low | 36.1 | Very low | 243 Ų | 243 | 160.3 Ų | 160.3 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -27.8 | 117.2 | 167.5 | -171.4 | -176 | -163.1 | -153.2 | 4.3 | 114.4 | ||
| 216 | G | 31.6 | Very low | 36.2 | Very low | 66 Ų | 66 | 154.9 Ų | 154.9 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 83.9 | 103.6 | 142 | 0 | 0 | 0 | 0 | 0 | 117.4 | E214 | E214-G216 PolarHBondContact O-N 3.14Š| ||
| 217 | R | 35.9 | Very low | 35.7 | Very low | 261 Ų | 261 | 152.5 Ų | 152.5 | 99% | 0.985 | 82% | 0.818 | S | S | * | * | trans | 170.3 | 125.7 | 131.3 | -99.5 | 178.8 | 179 | -133.8 | 1.8 | 109.8 | ||||
| 218 | G | 32.4 | Very low | 36 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 128.3 | 116.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 219 | G | 32.4 | Very low | 36.2 | Very low | 62 Ų | 62 | 155 Ų | 155 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | trans | 86.6 | 92.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 220 | F | 32.7 | Very low | 36.2 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 87% | 0.873 | 82% | 0.823 | S | S | * | * | 41.3 | 102.4 | 72.1 | -59 | -75.7 | 0 | 0 | 0 | 113.7 | |||||
| 221 | D | 41.2 | Very low | 35.9 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -177.3 | 98.2 | 137.7 | -82.2 | -40.5 | 0 | 0 | 0 | 105.8 | ||||
| 222 | R | 36.2 | Very low | 36.3 | Very low | 245 Ų | 245 | 153.6 Ų | 153.6 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | 52.5 | 50.6 | 74.4 | -133.8 | -160.8 | -74.4 | -172.9 | -1.4 | 114.8 | |||||
| 223 | G | 38.7 | Very low | 36.4 | Very low | 69 Ų | 69 | 154 Ų | 154 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | -117 | 90.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 224 | R | 33 | Very low | 36.4 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | 22.7 | 127.6 | 90 | -89.3 | -166.2 | 179.1 | -171.8 | 0.6 | 115.2 | |||||
| 225 | A | 37.9 | Very low | 36.4 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | 78.8 | 122.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 226 | A | 42.1 | Very low | 36.2 | Very low | 87 Ų | 87 | 156 Ų | 156 | 72% | 0.719 | 83% | 0.828 | S | S | * | * | cis | -143.2 | 125.1 | 31.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 227 | G | 31.7 | Very low | 36.5 | Very low | 76 Ų | 76 | 163.2 Ų | 163.2 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | -65.5 | 129 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 228 | Y | 41.7 | Very low | 36.3 | Very low | 217 Ų | 217 | 153.6 Ų | 153.6 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -112.9 | 83 | 148.7 | 52.7 | -85.4 | 0 | 0 | 0 | 106.6 | R230 | Y228-R230 PolarHBondContact O-N 3.4Š| ||
| 229 | D | 38.6 | Very low | 36.5 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -60.4 | 114.3 | 150.6 | -88.6 | -70.7 | 0 | 0 | 0 | 107.9 | ||||
| 230 | R | 38.2 | Very low | 36.7 | Very low | 237 Ų | 237 | 160.3 Ų | 160.3 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -144.7 | 84.4 | 149.4 | -163.7 | 179.1 | -74 | -174.1 | -2.5 | 108.7 | Y228 G232 | Y228-R230 PolarHBondContact O-N 3.4Å; R230-G232 PolarHBondContact O-N 3.04Å | ||
| 231 | G | 31.7 | Very low | 37.2 | Very low | 76 Ų | 76 | 160.1 Ų | 160.1 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | trans | -48.3 | 124.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | G | 36.8 | Very low | 37.2 | Very low | 62 Ų | 62 | 160 Ų | 160 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | trans | -136.2 | 70.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | R230 R234 | R230-G232 PolarHBondContact O-N 3.04Å; G232-R234 PolarHBondContact O-N 3.07Å; G232-R234 VanDerWaalsContact O-N 3.1Å | ||
| 233 | E | 35.7 | Very low | 37.5 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -54.8 | 111 | 163.1 | -70.2 | -174.5 | 138.9 | 0 | 0 | 109 | ||||
| 234 | R | 40.1 | Very low | 38 | Very low | 242 Ų | 242 | 159.9 Ų | 159.9 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -117.5 | 85.7 | 164 | -72.2 | -170 | -176.1 | 177.6 | 2.6 | 109.5 | G232 | G232-R234 PolarHBondContact O-N 3.07Å; G232-R234 VanDerWaalsContact O-N 3.1Å | ||
| 235 | K | 40.1 | Very low | 38.9 | Very low | 184 Ų | 184 | 154 Ų | 154 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | 38.9 | 105.7 | 138.4 | -63.9 | -175.1 | 178 | -179.1 | 0 | 117.3 | F237 | K235-F237 PolarHBondContact O-N 2.83Š| ||
| 236 | R | 32.5 | Very low | 40.1 | Very low | 251 Ų | 251 | 158.8 Ų | 158.8 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -53.2 | 118 | 153.6 | -62.9 | 175.7 | -178 | 173.9 | 0.4 | 109.1 | G238 | R236-G238 PolarHBondContact O-N 3.13Š| ||
| 237 | F | 37.5 | Very low | 40.7 | Very low | 217 Ų | 217 | 164.2 Ų | 164.2 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | trans | -78.9 | 92.9 | 160.8 | -84.1 | -89.9 | 0 | 0 | 0 | 107.5 | K235 | K235-F237 PolarHBondContact O-N 2.83Š| ||
| 238 | G | 31.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 167.8 Ų | 167.8 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | -124.4 | 137.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R236 | R236-G238 PolarHBondContact O-N 3.13Š| ||
| 239 | N | 35.7 | Very low | 42.8 | Very low | 143 Ų | 143 | 166.8 Ų | 166.8 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | 100.3 | 107 | 162.8 | -62.8 | 2.8 | 0 | 0 | 0 | 118.8 | ||||
| 240 | E | 37.2 | Very low | 43.4 | Very low | 143 Ų | 143 | 168.9 Ų | 168.9 | 67% | 0.668 | 82% | 0.822 | S | S | * | * | 73.2 | 108.4 | 124.3 | -67 | 174.6 | 139 | 0 | 0 | 118.8 | |||||
| 241 | Q | 43.7 | Very low | 44.8 | Very low | 196 Ų | 196 | 170.2 Ų | 170.2 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | -143.2 | 110.8 | 122.3 | -105.3 | 167.3 | 39.7 | 0 | 0 | 110 | |||||
| 242 | Q | 40.3 | Very low | 45.5 | Very low | 155 Ų | 155 | 174.9 Ų | 174.9 | 72% | 0.724 | 84% | 0.841 | S | S | * | * | trans | -65.8 | 123.8 | 167.3 | -60.4 | 167.6 | 21.2 | 0 | 0 | 108.2 | ||||
| 243 | M | 43.5 | Very low | 45.9 | Very low | 193 Ų | 193 | 180.8 Ų | 180.8 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -112.5 | 104.8 | 157.9 | -85.6 | -167.7 | 139.2 | 0 | 0 | 107.8 | ||||
| 244 | T | 48.7 | Very low | 46.5 | Very low | 118 Ų | 118 | 180.2 Ų | 180.2 | 72% | 0.724 | 85% | 0.849 | S | S | * | * | trans | -80.1 | 159.7 | 175 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 245 | P | 50.8 | Low | 46.9 | Very low | 120 Ų | 120 | 176.6 Ų | 176.6 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | -88.9 | 146.8 | -150.5 | 32.9 | -34.6 | 0 | 0 | 0 | 114.7 | K247 | P245-K247 PolarHBondContact O-N 3.02Š| ||
| 246 | K | 63.5 | Low | 47.3 | Very low | 206 Ų | 206 | 176.1 Ų | 176.1 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | -71.8 | 115 | 174.2 | -69.6 | -178.3 | 179.2 | 178.8 | 0 | 110.2 | ||||
| 247 | K | 55.1 | Low | 48.3 | Very low | 202 Ų | 202 | 171.1 Ų | 171.1 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.7 | 170.1 | -68.2 | 178.2 | 177.6 | -179.6 | 0 | 110.3 | P245 | P245-K247 PolarHBondContact O-N 3.02Š|
| 248 | I | 61.9 | Low | 49.1 | Very low | 151 Ų | 151 | 167.9 Ų | 167.9 | 77% | 0.774 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 123.8 | 167.7 | -64.2 | 165.3 | 0 | 0 | 0 | 106.8 | ||
| 249 | K | 56.3 | Low | 50.4 | Low | 195 Ų | 195 | 176.2 Ų | 176.2 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 130.1 | 175.8 | -73.8 | -178.1 | 175.5 | -176.4 | 0 | 108.9 | ||
| 250 | F | 51 | Low | 51.7 | Low | 205 Ų | 205 | 179 Ų | 179 | 90% | 0.899 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 120.6 | 158.6 | -77.7 | -93.4 | 0 | 0 | 0 | 106.8 | ||
| 251 | E | 67.9 | Low | 53 | Low | 264 Ų | 264 | 182.3 Ų | 182.3 | 100% | 1.234 | 88% | 0.875 | S | S | * | * | trans | -94.7 | 0 | 153 | -86.2 | -176.8 | 158.3 | 0 | 0 | 108.3 |
Retrieved 251 of 251 residues in 257 ms
(Link to these results)