| 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 | 37.3 | Very low | 42.6 | Very low | 223 Ų | 223 | 146.8 Ų | 146.8 | 100% | 1.099 | 81% | 0.805 | S | S | * | * | 0 | 67.7 | 0 | -68.6 | 179.1 | -175.3 | 0 | 0 | 110.4 | |||||
| 2 | D | 36.6 | Very low | 42.9 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | cis | -158.6 | 170.7 | -11.8 | -78.1 | -43.6 | 0 | 0 | 0 | 109.2 | ||||
| 3 | A | 41.3 | Very low | 43.2 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 35 | 113.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 4 | D | 43.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | cis | 42.5 | 94.6 | 49.2 | -165.1 | 42.7 | 0 | 0 | 0 | 114.9 | ||||
| 5 | E | 48.2 | Very low | 44.8 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -153.5 | 97.5 | 156.5 | -131.6 | 175.2 | -163.8 | 0 | 0 | 109.3 | Q7 | E5-Q7 PolarHBondContact O-N 3.41Š| ||
| 6 | G | 42.7 | Very low | 45.8 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 121.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D8 | G6-D8 PolarHBondContact O-N 3.29Å; G6-D8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | Q | 45.7 | Very low | 47.6 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | trans | -70.9 | 111.6 | 179 | -73 | -169.4 | -25.5 | 0 | 0 | 111.3 | E5 | E5-Q7 PolarHBondContact O-N 3.41Š| ||
| 8 | D | 42 | Very low | 49.3 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -55.7 | 140.5 | -178.9 | 173.5 | 45.2 | 0 | 0 | 0 | 113.1 | G6 S10 | G6-D8 PolarHBondContact O-N 3.29Å; G6-D8 VanDerWaalsContact O-N 3.14Å; D8-S10 PolarHBondContact O-N 3.44Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 9 | M | 49.8 | Very low | 51 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | trans | -79.5 | 55.9 | 177.8 | -172 | 166.4 | 48.1 | 0 | 0 | 110.6 | Q11 | M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 2.86Å | ||
| 10 | S | 39 | Very low | 52.7 | Low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | trans | -67.2 | 84.5 | 179.6 | 48.8 | 0 | 0 | 0 | 0 | 111 | D8 V12 | D8-S10 PolarHBondContact O-N 3.44Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å; S10-V12 PolarHBondContact O-N 3.43Å | ||
| 11 | Q | 42.6 | Very low | 54 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | trans | -57.8 | 103.3 | 176.8 | -68.4 | -174.7 | -5 | 0 | 0 | 110.4 | M9 S13 | M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 2.86Å; Q11-S13 PolarHBondContact O-N 3.31Å | ||
| 12 | V | 45.9 | Very low | 55.9 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 79% | 0.788 | 67% | 0.667 | S | S | * | * | trans | -56.7 | 105.8 | 167.4 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | S10 V14 | S10-V12 PolarHBondContact O-N 3.43Å; V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 WeakPolarHBondContact O-CG2 3.48Å; V12-V14 PolarHBondContact O-N 3.06Å | ||
| 13 | S | 46.1 | Very low | 58.1 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | -78 | 76.9 | -167.9 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | Q11 G15 | Q11-S13 PolarHBondContact O-N 3.31Å; S13-G15 PolarHBondContact O-N 3.36Å | ||
| 14 | V | 49.7 | Very low | 60.1 | Low | 129 Ų | 129 | 109.6 Ų | 109.6 | 78% | 0.782 | 64% | 0.638 | S | S | * | * | trans | -42 | 110.3 | -175.4 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | V12 K16 | V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 WeakPolarHBondContact O-CG2 3.48Å; V12-V14 PolarHBondContact O-N 3.06Å; V14-K16 PolarHBondContact O-N 3.11Å | ||
| 15 | G | 61.3 | Low | 62 | Low | 60 Ų | 60 | 109.6 Ų | 109.6 | 62% | 0.619 | 63% | 0.627 | S | S | * | * | trans | -58.2 | 120.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S13 P17 | S13-G15 PolarHBondContact O-N 3.36Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å | ||
| 16 | K | 60.8 | Low | 63.8 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | trans | -45.7 | 102.7 | -178.8 | -66.4 | -173.6 | -169 | 172.9 | 0 | 110.8 | V14 H18 S26 Y27 K28 | V14-K16 PolarHBondContact O-N 3.11Å; K16-H18 PolarHBondContact O-N 3.03Å; K16-S26 WeakPolarHBondContact CD-O 3.14Å; K16-Y27 CarbonylContact C-O 3.6Å; K16-Y27 WeakPolarHBondContact CB-O 3.48Å; K16-K28 HydrophobicContact CD-CG 4.42Å; K16-K28 HydrophobicContact CG-CG 4.06Å | ||
| 17 | P | 75.5 | Confident | 65.8 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | trans | -84.1 | -14.5 | -161 | 30.4 | -33.3 | 0 | 0 | 0 | 113.1 | G15 | G15-P17 WeakPolarHBondContact O-CD 3.42Š| ||
| 18 | H | 78.8 | Confident | 67.6 | Low | 44 Ų | 44 | 99.5 Ų | 99.5 | 20% | 0.204 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.6 | -179.8 | -63.8 | 99.8 | 0 | 0 | 0 | 109.4 | K16 S26 Y27 R30 L33 | K16-H18 PolarHBondContact O-N 3.03Å; H18-S26 CarbonylContact O-C 3.59Å; H18-S26 WeakPolarHBondContact O-CA 3.14Å; H18-Y27 PolarHBondContact N-O 2.96Å; H18-Y27 PolarHBondContact O-N 3.29Å; H18-R30 PolarHBondContact ND1-N 2.81Å; H18-R30 WeakPolarHBondContact NE2-CB 3.44Å; H18-R30 PolarHBondContact NE2-NE 3.09Å; H18-L33 HydrophobicContact CB-CB 3.94Å; H18-L33 HydrophobicContact CB-CD2 3.82Å; H18-L33 HydrophobicContact CB-CG 4.49Å |
| 19 | K | 82.1 | Confident | 69.5 | Low | 135 Ų | 135 | 99.2 Ų | 99.2 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 141 | -177.5 | -59.6 | -176.7 | 176.3 | -82.6 | 0 | 111.6 | R25 S26 | K19-R25 WeakPolarHBondContact CA-O 3.47Å; K19-S26 PolarHBondContact NZ-OG 3.42Å |
| 20 | C | 85.4 | Confident | 70.9 | Confident | 3 Ų | 3 | 100 Ų | 100 | 2% | 0.02 | 55% | 0.549 | C | S | . | . | trans | -85.5 | 120.6 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | Y22 C23 G24 R25 Y27 L33 | C20-Y22 VanDerWaalsContact C-N 3.28Å; C20-Y22 PolarHBondContact O-N 2.74Å; C20-C23 VanDerWaalsContact CB-SG 3.6Å; C20-C23 VanDerWaalsContact SG-SG 3.62Å; C20-G24 WeakPolarHBondContact O-CA 3.41Å; C20-G24 PolarHBondContact O-N 3.34Å; C20-R25 PolarHBondContact N-O 3.44Å; C20-Y27 HydrophobicContact CB-CE2 4.5Å; C20-L33 HydrophobicContact CB-CD1 3.64Å | ||
| 21 | G | 78.6 | Confident | 73 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 85% | 0.845 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 22 | Y | 77.4 | Confident | 75.1 | Confident | 145 Ų | 145 | 93.6 Ų | 93.6 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -23.5 | -175.9 | -56.7 | -76.1 | 0 | 0 | 0 | 114.4 | C20 L44 | C20-Y22 VanDerWaalsContact C-N 3.28Å; C20-Y22 PolarHBondContact O-N 2.74Å; Y22-L44 HydrophobicContact CD1-CD2 3.88Å; Y22-L44 HydrophobicContact CG-CD2 4.46Å |
| 23 | C | 84.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 88 Ų | 88 | 37% | 0.365 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 5 | -172 | 73.8 | 0 | 0 | 0 | 0 | 114.8 | C20 R25 H36 | C20-C23 VanDerWaalsContact CB-SG 3.6Å; C20-C23 VanDerWaalsContact SG-SG 3.62Å; C23-R25 PolarHBondContact O-N 2.78Å; C23-H36 PolarHBondContact SG-NE2 2.99Å |
| 24 | G | 81.7 | Confident | 78.8 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 54% | 0.536 | 47% | 0.469 | S | S | . | . | trans | 69.4 | -11.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | C20 S26 | C20-G24 WeakPolarHBondContact O-CA 3.41Å; C20-G24 PolarHBondContact O-N 3.34Å; G24-S26 PolarHBondContact O-N 2.8Å; G24-S26 PolarHBondContact O-OG 3.45Å | ||
| 25 | R | 85.3 | Confident | 80.5 | Confident | 159 Ų | 159 | 85.2 Ų | 85.2 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | trans | -58.4 | 135.9 | -175.5 | -68.4 | -176.8 | 178 | -157.9 | -0.6 | 111.4 | K19 C20 C23 Y27 | K19-R25 WeakPolarHBondContact CA-O 3.47Å; C20-R25 PolarHBondContact N-O 3.44Å; C23-R25 PolarHBondContact O-N 2.78Å; R25-Y27 HydrophobicContact CB-CE2 3.57Å; R25-Y27 WeakPolarHBondContact CB-OH 3.5Å; R25-Y27 WeakPolarHBondContact CD-OH 3.36Å; R25-Y27 WeakPolarHBondContact O-CD2 3.17Å; R25-Y27 WeakPolarHBondContact O-CE2 3.3Å | ||
| 26 | S | 85.4 | Confident | 81.7 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 24% | 0.238 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.5 | -172.5 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | K16 H18 K19 G24 | K16-S26 WeakPolarHBondContact CD-O 3.14Å; H18-S26 CarbonylContact O-C 3.59Å; H18-S26 WeakPolarHBondContact O-CA 3.14Å; K19-S26 PolarHBondContact NZ-OG 3.42Å; G24-S26 PolarHBondContact O-N 2.8Å; G24-S26 PolarHBondContact O-OG 3.45Å |
| 27 | Y | 85 | Confident | 82.7 | Confident | 38 Ų | 38 | 82.2 Ų | 82.2 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.5 | -168 | -62.8 | -87.9 | 0 | 0 | 0 | 111.8 | K16 H18 C20 R25 S32 L33 H36 | K16-Y27 CarbonylContact C-O 3.6Å; K16-Y27 WeakPolarHBondContact CB-O 3.48Å; H18-Y27 PolarHBondContact N-O 2.96Å; H18-Y27 PolarHBondContact O-N 3.29Å; C20-Y27 HydrophobicContact CB-CE2 4.5Å; R25-Y27 HydrophobicContact CB-CE2 3.57Å; R25-Y27 WeakPolarHBondContact CB-OH 3.5Å; R25-Y27 WeakPolarHBondContact CD-OH 3.36Å; R25-Y27 WeakPolarHBondContact O-CD2 3.17Å; R25-Y27 WeakPolarHBondContact O-CE2 3.3Å; Y27-S32 WeakPolarHBondContact CD1-OG 3.36Å; Y27-L33 HydrophobicContact CD2-CB 4.14Å; Y27-L33 HydrophobicContact CD2-CD1 3.86Å; Y27-L33 HydrophobicContact CE2-CD1 4.18Å; Y27-L33 HydrophobicContact CG-CB 4.33Å; Y27-H36 HydrophobicContact CE1-CB 4.19Å; Y27-H36 HydrophobicContact CE2-CB 4.27Å; Y27-H36 AromaticContact CE2-CD2 3.56Å; Y27-H36 AromaticContact CE2-CG 4Å; Y27-H36 AromaticContact CZ-CD2 3.57Å; Y27-H36 AromaticContact CZ-CG 3.57Å; Y27-H36 PolarHBondContact OH-CD2 3.42Å; Y27-H36 PolarHBondContact OH-ND1 3Å; Y27-H36 PolarHBondContact OH-NE2 2.98Å |
| 28 | K | 83.7 | Confident | 82.9 | Confident | 174 Ų | 174 | 84.5 Ų | 84.5 | 76% | 0.757 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -72.4 | -31.2 | 179.1 | -73.3 | -175.8 | 170.5 | -176.1 | 0 | 112.4 | K16 | K16-K28 HydrophobicContact CD-CG 4.42Å; K16-K28 HydrophobicContact CG-CG 4.06Å |
| 29 | Q | 80.4 | Confident | 83 | Confident | 125 Ų | 125 | 89.7 Ų | 89.7 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -126.2 | 155.1 | -174.9 | -64.8 | 178.5 | -8.1 | 0 | 0 | 111.7 | S31 L33 | Q29-S31 PolarHBondContact OE1-OG 3.22Å; Q29-L33 PolarHBondContact O-N 3.31Å |
| 30 | R | 80.3 | Confident | 83 | Confident | 176 Ų | 176 | 84 Ų | 84 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68 | -42.3 | 178.4 | -168.5 | 174.4 | -72.4 | -166.3 | -4.2 | 112.6 | H18 S32 L33 E34 | H18-R30 PolarHBondContact ND1-N 2.81Å; H18-R30 WeakPolarHBondContact NE2-CB 3.44Å; H18-R30 PolarHBondContact NE2-NE 3.09Å; R30-S32 PolarHBondContact O-N 3.43Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.25Å; R30-L33 VanDerWaalsContact O-N 3.1Å; R30-E34 PolarHBondContact O-N 3.47Å |
| 31 | S | 83.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -50.8 | -52.4 | 174.3 | 43.8 | 0 | 0 | 0 | 0 | 112 | Q29 L33 E34 E35 | Q29-S31 PolarHBondContact OE1-OG 3.22Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.25Å; S31-E34 PolarHBondContact O-N 3.24Å; S31-E35 WeakPolarHBondContact O-CB 3.44Å; S31-E35 PolarHBondContact O-N 3.45Å |
| 32 | S | 86.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 89.3 Ų | 89.3 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -24.5 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 113.8 | Y27 R30 H36 | Y27-S32 WeakPolarHBondContact CD1-OG 3.36Å; R30-S32 PolarHBondContact O-N 3.43Å; S32-H36 WeakPolarHBondContact O-CB 3.47Å; S32-H36 PolarHBondContact O-N 3.22Å |
| 33 | L | 86.8 | Confident | 81.7 | Confident | 13 Ų | 13 | 89.7 Ų | 89.7 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.5 | -43.1 | 168.1 | 170.8 | 63.7 | 0 | 0 | 0 | 111.5 | H18 C20 Y27 Q29 R30 S31 H36 K37 | H18-L33 HydrophobicContact CB-CB 3.94Å; H18-L33 HydrophobicContact CB-CD2 3.82Å; H18-L33 HydrophobicContact CB-CG 4.49Å; C20-L33 HydrophobicContact CB-CD1 3.64Å; Y27-L33 HydrophobicContact CD2-CB 4.14Å; Y27-L33 HydrophobicContact CD2-CD1 3.86Å; Y27-L33 HydrophobicContact CE2-CD1 4.18Å; Y27-L33 HydrophobicContact CG-CB 4.33Å; Q29-L33 PolarHBondContact O-N 3.31Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.25Å; R30-L33 VanDerWaalsContact O-N 3.1Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.25Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 WeakPolarHBondContact O-CB 3.4Å; L33-H36 PolarHBondContact O-N 3.03Å; L33-K37 HydrophobicContact CD1-CG 4.29Å; L33-K37 HydrophobicContact CG-CG 4.46Å; L33-K37 WeakPolarHBondContact O-CG 3.35Å; L33-K37 PolarHBondContact O-N 2.81Å |
| 34 | E | 82.4 | Confident | 81.1 | Confident | 84 Ų | 84 | 89.6 Ų | 89.6 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -47.6 | -178 | -140.1 | 64.4 | -143 | 0 | 0 | 111.6 | R30 S31 H36 K37 E38 | R30-E34 PolarHBondContact O-N 3.47Å; S31-E34 PolarHBondContact O-N 3.24Å; E34-H36 PolarHBondContact O-N 2.61Å; E34-H36 VanDerWaalsContact O-N 3.12Å; E34-K37 WeakPolarHBondContact O-CB 3.22Å; E34-K37 PolarHBondContact O-N 2.72Å; E34-K37 WeakPolarHBondContact OE1-CD 3.49Å; E34-K37 IonicContact OE1-NZ 3.84Å; E34-K37 PolarHBondContact OE1-NZ 2.7Å; E34-K37 IonicContact OE2-NZ 2.7Å; E34-K37 PolarHBondContact OE2-NZ 2.87Å; E34-E38 PolarHBondContact O-N 3.36Å; E34-E38 VanDerWaalsContact O-N 3.16Å |
| 35 | E | 84.9 | Confident | 80.3 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -22.6 | 173.8 | -156.1 | -143.9 | 140.2 | 0 | 0 | 112.7 | S31 R39 | S31-E35 WeakPolarHBondContact O-CB 3.44Å; S31-E35 PolarHBondContact O-N 3.45Å; E35-R39 PolarHBondContact O-NH1 3.07Å; E35-R39 IonicContact OE1-CZ 3.21Å; E35-R39 IonicContact OE1-NH1 2.72Å; E35-R39 PolarHBondContact OE1-NH1 3.05Å; E35-R39 IonicContact OE1-NH2 3.09Å; E35-R39 PolarHBondContact OE1-NH2 3.3Å |
| 36 | H | 86.9 | Confident | 79.2 | Confident | 31 Ų | 31 | 89.6 Ų | 89.6 | 14% | 0.144 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -84.2 | -41.6 | 170 | 172 | 58.6 | 0 | 0 | 0 | 112.8 | C23 Y27 S32 L33 E34 E38 R39 C40 | C23-H36 PolarHBondContact SG-NE2 2.99Å; Y27-H36 HydrophobicContact CE1-CB 4.19Å; Y27-H36 HydrophobicContact CE2-CB 4.27Å; Y27-H36 AromaticContact CE2-CD2 3.56Å; Y27-H36 AromaticContact CE2-CG 4Å; Y27-H36 AromaticContact CZ-CD2 3.57Å; Y27-H36 AromaticContact CZ-CG 3.57Å; Y27-H36 PolarHBondContact OH-CD2 3.42Å; Y27-H36 PolarHBondContact OH-ND1 3Å; Y27-H36 PolarHBondContact OH-NE2 2.98Å; S32-H36 WeakPolarHBondContact O-CB 3.47Å; S32-H36 PolarHBondContact O-N 3.22Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 WeakPolarHBondContact O-CB 3.4Å; L33-H36 PolarHBondContact O-N 3.03Å; E34-H36 PolarHBondContact O-N 2.61Å; E34-H36 VanDerWaalsContact O-N 3.12Å; H36-E38 VanDerWaalsContact C-N 3.32Å; H36-E38 PolarHBondContact O-N 2.59Å; H36-R39 PolarHBondContact O-N 3.47Å; H36-C40 WeakPolarHBondContact O-CB 3.44Å; H36-C40 PolarHBondContact O-N 2.91Å |
| 37 | K | 82.3 | Confident | 78 | Confident | 70 Ų | 70 | 93.7 Ų | 93.7 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.5 | -46.1 | 178.6 | -79.2 | 169.4 | 174.4 | 170.6 | 0 | 111.5 | L33 E34 R39 C40 H41 | L33-K37 HydrophobicContact CD1-CG 4.29Å; L33-K37 HydrophobicContact CG-CG 4.46Å; L33-K37 WeakPolarHBondContact O-CG 3.35Å; L33-K37 PolarHBondContact O-N 2.81Å; E34-K37 WeakPolarHBondContact O-CB 3.22Å; E34-K37 PolarHBondContact O-N 2.72Å; E34-K37 WeakPolarHBondContact OE1-CD 3.49Å; E34-K37 IonicContact OE1-NZ 3.84Å; E34-K37 PolarHBondContact OE1-NZ 2.7Å; E34-K37 IonicContact OE2-NZ 2.7Å; E34-K37 PolarHBondContact OE2-NZ 2.87Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.92Å; K37-C40 PolarHBondContact O-N 2.73Å; K37-C40 VanDerWaalsContact O-N 3.14Å; K37-H41 WeakPolarHBondContact O-CB 3.27Å; K37-H41 PolarHBondContact O-N 2.71Å |
| 38 | E | 80.3 | Confident | 76.5 | Confident | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.2 | -48.8 | -179.8 | -67.5 | 179 | 163.5 | 0 | 0 | 111.2 | E34 H36 N42 | E34-E38 PolarHBondContact O-N 3.36Å; E34-E38 VanDerWaalsContact O-N 3.16Å; H36-E38 VanDerWaalsContact C-N 3.32Å; H36-E38 PolarHBondContact O-N 2.59Å; E38-N42 WeakPolarHBondContact O-CB 3.12Å; E38-N42 PolarHBondContact O-N 2.8Å; E38-N42 VanDerWaalsContact O-N 3.15Å |
| 39 | R | 80.7 | Confident | 74.9 | Confident | 152 Ų | 152 | 92.1 Ų | 92.1 | 57% | 0.574 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | 177.1 | -58 | -170.6 | -171.4 | 101.3 | -13.1 | 112.9 | E35 H36 K37 Y43 | E35-R39 PolarHBondContact O-NH1 3.07Å; E35-R39 IonicContact OE1-CZ 3.21Å; E35-R39 IonicContact OE1-NH1 2.72Å; E35-R39 PolarHBondContact OE1-NH1 3.05Å; E35-R39 IonicContact OE1-NH2 3.09Å; E35-R39 PolarHBondContact OE1-NH2 3.3Å; H36-R39 PolarHBondContact O-N 3.47Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.92Å; R39-Y43 VanDerWaalsContact O-CB 3.27Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 2.95Å |
| 40 | C | 80.9 | Confident | 73.1 | Confident | 15 Ų | 15 | 91.2 Ų | 91.2 | 10% | 0.101 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 179.3 | -166.3 | 0 | 0 | 0 | 0 | 112.3 | H36 K37 L44 | H36-C40 WeakPolarHBondContact O-CB 3.44Å; H36-C40 PolarHBondContact O-N 2.91Å; K37-C40 PolarHBondContact O-N 2.73Å; K37-C40 VanDerWaalsContact O-N 3.14Å; C40-L44 WeakPolarHBondContact O-CB 3.31Å; C40-L44 PolarHBondContact O-N 3.35Å |
| 41 | H | 75.1 | Confident | 71.7 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -52.1 | 174.1 | -166.3 | -75.4 | 0 | 0 | 0 | 109.4 | K37 Y43 L44 E45 | K37-H41 WeakPolarHBondContact O-CB 3.27Å; K37-H41 PolarHBondContact O-N 2.71Å; H41-Y43 VanDerWaalsContact C-N 3.27Å; H41-Y43 PolarHBondContact O-N 3.3Å; H41-L44 PolarHBondContact O-N 3.26Å; H41-L44 VanDerWaalsContact O-N 3.07Å; H41-E45 IonicContact CE1-OE2 2.74Å; H41-E45 PolarHBondContact CE1-OE2 3.23Å; H41-E45 IonicContact ND1-OE2 2.71Å; H41-E45 PolarHBondContact ND1-OE2 3.12Å; H41-E45 WeakPolarHBondContact O-CB 3.33Å; H41-E45 PolarHBondContact O-N 3.16Å |
| 42 | N | 70.6 | Confident | 70 | Confident | 110 Ų | 110 | 89 Ų | 89 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | -179.1 | -149.4 | -111.9 | 0 | 0 | 0 | 112.2 | E38 S46 | E38-N42 WeakPolarHBondContact O-CB 3.12Å; E38-N42 PolarHBondContact O-N 2.8Å; E38-N42 VanDerWaalsContact O-N 3.15Å; N42-S46 VanDerWaalsContact O-CB 3.31Å; N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 2.8Å |
| 43 | Y | 69.8 | Low | 68.2 | Low | 154 Ų | 154 | 94.7 Ų | 94.7 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -50.1 | 170.6 | -178.1 | -95.4 | 0 | 0 | 0 | 112.6 | R39 H41 E45 S46 M47 | R39-Y43 VanDerWaalsContact O-CB 3.27Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 2.95Å; H41-Y43 VanDerWaalsContact C-N 3.27Å; H41-Y43 PolarHBondContact O-N 3.3Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 3.39Å; Y43-S46 PolarHBondContact O-N 2.98Å; Y43-S46 PolarHBondContact O-OG 3.14Å; Y43-M47 HydrophobicContact CD1-CG 4.49Å; Y43-M47 HydrophobicContact CE1-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CG 3.15Å; Y43-M47 PolarHBondContact O-N 3.01Å; Y43-M47 VanDerWaalsContact O-N 3.08Å |
| 44 | L | 70.3 | Confident | 65.7 | Low | 52 Ų | 52 | 104.4 Ų | 104.4 | 27% | 0.272 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 179.9 | -177.7 | 62.8 | 0 | 0 | 0 | 112.5 | Y22 C40 H41 M47 G48 L49 | Y22-L44 HydrophobicContact CD1-CD2 3.88Å; Y22-L44 HydrophobicContact CG-CD2 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.31Å; C40-L44 PolarHBondContact O-N 3.35Å; H41-L44 PolarHBondContact O-N 3.26Å; H41-L44 VanDerWaalsContact O-N 3.07Å; L44-M47 CarbonylContact O-C 3.58Å; L44-M47 PolarHBondContact O-N 3.28Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-L49 HydrophobicContact CD1-CB 4Å; L44-L49 HydrophobicContact CD1-CD1 3.77Å; L44-L49 HydrophobicContact CD1-CG 4.44Å |
| 45 | E | 64.4 | Low | 64 | Low | 119 Ų | 119 | 106 Ų | 106 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -42 | 177.4 | -170.3 | 166.8 | -159.6 | 0 | 0 | 111.1 | H41 Y43 M47 G48 | H41-E45 IonicContact CE1-OE2 2.74Å; H41-E45 PolarHBondContact CE1-OE2 3.23Å; H41-E45 IonicContact ND1-OE2 2.71Å; H41-E45 PolarHBondContact ND1-OE2 3.12Å; H41-E45 WeakPolarHBondContact O-CB 3.33Å; H41-E45 PolarHBondContact O-N 3.16Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 3.39Å; E45-M47 PolarHBondContact O-N 3.39Å; E45-G48 PolarHBondContact O-N 2.74Å; E45-G48 VanDerWaalsContact O-N 3.16Å |
| 46 | S | 62.4 | Low | 61.8 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -22.7 | 171.6 | 76 | 0 | 0 | 0 | 0 | 114.1 | N42 Y43 G48 | N42-S46 VanDerWaalsContact O-CB 3.31Å; N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 2.8Å; Y43-S46 PolarHBondContact O-N 2.98Å; Y43-S46 PolarHBondContact O-OG 3.14Å; S46-G48 VanDerWaalsContact C-N 3.35Å |
| 47 | M | 61.2 | Low | 59.8 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 59% | 0.586 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 2.5 | 176.2 | -71.8 | -69.2 | -66.2 | 0 | 0 | 113.3 | Y43 L44 E45 L49 | Y43-M47 HydrophobicContact CD1-CG 4.49Å; Y43-M47 HydrophobicContact CE1-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CG 3.15Å; Y43-M47 PolarHBondContact O-N 3.01Å; Y43-M47 VanDerWaalsContact O-N 3.08Å; L44-M47 CarbonylContact O-C 3.58Å; L44-M47 PolarHBondContact O-N 3.28Å; E45-M47 PolarHBondContact O-N 3.39Å; M47-L49 PolarHBondContact O-N 3.15Å |
| 48 | G | 53 | Low | 57.6 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.4 | 18.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L44 E45 S46 P50 | L44-G48 PolarHBondContact O-N 3.28Å; E45-G48 PolarHBondContact O-N 2.74Å; E45-G48 VanDerWaalsContact O-N 3.16Å; S46-G48 VanDerWaalsContact C-N 3.35Å; G48-P50 WeakPolarHBondContact O-CD 3.46Å |
| 49 | L | 50.7 | Low | 55.8 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | trans | -85.3 | 114.9 | 176 | -73.5 | 174.6 | 0 | 0 | 0 | 110.9 | L44 M47 G51 | L44-L49 HydrophobicContact CD1-CB 4Å; L44-L49 HydrophobicContact CD1-CD1 3.77Å; L44-L49 HydrophobicContact CD1-CG 4.44Å; M47-L49 PolarHBondContact O-N 3.15Å; L49-G51 PolarHBondContact O-N 3.34Å | ||
| 50 | P | 42.8 | Very low | 53.7 | Low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | trans | -69 | 122.2 | 179.4 | 27.7 | -33.8 | 0 | 0 | 0 | 111.1 | G48 T52 | G48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-T52 PolarHBondContact O-N 2.67Å | ||
| 51 | G | 50.4 | Low | 51.5 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -75 | 78.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L49 | L49-G51 PolarHBondContact O-N 3.34Š| ||
| 52 | T | 47.7 | Very low | 49.8 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -120.4 | 42.5 | -175.9 | -38.5 | 0 | 0 | 0 | 0 | 113.7 | P50 | P50-T52 PolarHBondContact O-N 2.67Š| ||
| 53 | L | 49.5 | Very low | 48.1 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -144.3 | 79.7 | 169.9 | -75.3 | -179.4 | 0 | 0 | 0 | 112.5 | ||||
| 54 | Y | 32.8 | Very low | 46.7 | Very low | 217 Ų | 217 | 130.8 Ų | 130.8 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | 175.9 | 119.2 | 127.2 | -115.8 | -87.1 | 0 | 0 | 0 | 111.2 | |||||
| 55 | P | 46.5 | Very low | 45.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -68.7 | 132.1 | 158.9 | -15.8 | 31.3 | 0 | 0 | 0 | 109.9 | ||||
| 56 | V | 38.8 | Very low | 44.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 134 | 172.3 | 171.7 | 0 | 0 | 0 | 0 | 109.3 | K58 | V56-K58 PolarHBondContact O-N 2.77Å; V56-K58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | I | 46 | Very low | 43.9 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -62.7 | 114.7 | 173.8 | -51.4 | 171.5 | 0 | 0 | 0 | 108.6 | ||||
| 58 | K | 35.6 | Very low | 43.3 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -124.5 | 131.1 | 156.8 | -93.7 | -165.8 | 169.6 | -171.1 | 0 | 109 | V56 | V56-K58 PolarHBondContact O-N 2.77Å; V56-K58 VanDerWaalsContact O-N 3.13Å | ||
| 59 | E | 43.2 | Very low | 42.9 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -80.1 | -179.7 | 177.7 | -155.7 | 162.2 | -171.4 | 0 | 0 | 110.4 | ||||
| 60 | E | 35.5 | Very low | 42.8 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 96 | 99.9 | 175.6 | -55.7 | -72.9 | 77.3 | 0 | 0 | 118.4 | ||||
| 61 | T | 35.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 116.5 | 143 | 58.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 62 | N | 39.8 | Very low | 43.1 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 33 | 115.1 | 143.9 | -65.4 | -72.5 | 0 | 0 | 0 | 120 | ||||
| 63 | H | 34.3 | Very low | 43.2 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | -160.8 | 169.1 | 93.4 | -112.3 | -94.5 | 0 | 0 | 0 | 111.2 | |||||
| 64 | S | 41.4 | Very low | 43.2 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -81.6 | 177.5 | -178.2 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 65 | E | 44.1 | Very low | 44.4 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | 86.6 | 91.7 | 163.5 | 96 | -155.3 | 136.8 | 0 | 0 | 119.8 | ||||
| 66 | M | 44.5 | Very low | 44.8 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 94% | 0.936 | 72% | 0.724 | S | S | * | * | trans | -178.5 | 19.6 | 151.8 | 48.4 | -173.8 | 147.3 | 0 | 0 | 115.5 | E68 | M66-E68 PolarHBondContact O-N 2.82Š| ||
| 67 | A | 48.2 | Very low | 45.5 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -87.9 | 4.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 68 | E | 49 | Very low | 46 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -104.3 | -21.2 | -162 | -58.3 | -157.9 | 155.9 | 0 | 0 | 116.9 | M66 | M66-E68 PolarHBondContact O-N 2.82Š|
| 69 | D | 45.7 | Very low | 47 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 57% | 0.572 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -13.4 | -168.2 | -106.1 | -12.6 | 0 | 0 | 0 | 115.9 | C71 K72 | D69-C71 VanDerWaalsContact C-N 3.32Å; D69-C71 PolarHBondContact O-N 3.43Å; D69-K72 IonicContact OD1-NZ 2.61Å; D69-K72 PolarHBondContact OD1-NZ 3.16Å |
| 70 | L | 47.8 | Very low | 47.7 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -25.5 | 176.8 | -93.9 | 70.2 | 0 | 0 | 0 | 113.3 | K72 I73 | L70-K72 PolarHBondContact O-N 3.07Å; L70-I73 PolarHBondContact O-N 3.02Å |
| 71 | C | 50.4 | Low | 48.9 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -27.4 | -172.2 | -71 | 0 | 0 | 0 | 0 | 114.1 | D69 | D69-C71 VanDerWaalsContact C-N 3.32Å; D69-C71 PolarHBondContact O-N 3.43Å |
| 72 | K | 49.8 | Very low | 49.8 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.3 | -40.9 | 179.4 | -65 | 166 | -169.2 | 153.8 | 0 | 111.5 | D69 L70 G74 S75 | D69-K72 IonicContact OD1-NZ 2.61Å; D69-K72 PolarHBondContact OD1-NZ 3.16Å; L70-K72 PolarHBondContact O-N 3.07Å; K72-G74 PolarHBondContact O-N 3.37Å; K72-G74 VanDerWaalsContact O-N 3.09Å; K72-S75 PolarHBondContact O-N 2.94Å |
| 73 | I | 49.7 | Very low | 50.7 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.7 | -18.1 | -173.4 | -67.2 | 172.3 | 0 | 0 | 0 | 113.6 | L70 R77 | L70-I73 PolarHBondContact O-N 3.02Å; I73-R77 PolarHBondContact O-NH1 3.38Å |
| 74 | G | 49.8 | Very low | 51.7 | Low | 48 Ų | 48 | 121.3 Ų | 121.3 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -80.7 | -38.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K72 R77 S78 | K72-G74 PolarHBondContact O-N 3.37Å; K72-G74 VanDerWaalsContact O-N 3.09Å; G74-R77 PolarHBondContact O-N 3.08Å; G74-S78 PolarHBondContact O-N 3.32Å |
| 75 | S | 57.1 | Low | 52.4 | Low | 70 Ų | 70 | 119.4 Ų | 119.4 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -45.2 | -175.5 | -166.8 | 0 | 0 | 0 | 0 | 111.8 | K72 R77 S78 L79 | K72-S75 PolarHBondContact O-N 2.94Å; S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 3.32Å; S75-S78 PolarHBondContact O-N 3.05Å; S75-S78 VanDerWaalsContact O-N 3.15Å; S75-L79 PolarHBondContact O-N 3.38Å |
| 76 | E | 53.9 | Low | 53.1 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -49.9 | -45.7 | 176.9 | -54.4 | -60.7 | 153.8 | 0 | 0 | 112.2 | V80 | E76-V80 WeakPolarHBondContact O-CG2 3.34Å; E76-V80 PolarHBondContact O-N 3.22Å |
| 77 | R | 54.8 | Low | 53.6 | Low | 166 Ų | 166 | 111.1 Ų | 111.1 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.4 | -37.8 | -177.2 | -70.2 | -170.9 | 175.2 | 85 | -5.8 | 112.7 | I73 G74 S75 V80 L81 | I73-R77 PolarHBondContact O-NH1 3.38Å; G74-R77 PolarHBondContact O-N 3.08Å; S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 3.32Å; R77-V80 PolarHBondContact O-N 3.26Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 3.15Å |
| 78 | S | 55.8 | Low | 54 | Low | 81 Ų | 81 | 112.1 Ų | 112.1 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.8 | -45.5 | 179.2 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | G74 S75 V80 L81 D82 | G74-S78 PolarHBondContact O-N 3.32Å; S75-S78 PolarHBondContact O-N 3.05Å; S75-S78 VanDerWaalsContact O-N 3.15Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.36Å; S78-L81 PolarHBondContact O-N 3.17Å; S78-D82 PolarHBondContact O-N 2.93Å |
| 79 | L | 56.8 | Low | 54.3 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.3 | -25.6 | -178.9 | -63.8 | 173.3 | 0 | 0 | 0 | 113.8 | S75 R83 | S75-L79 PolarHBondContact O-N 3.38Å; L79-R83 WeakPolarHBondContact O-CG 3.38Å; L79-R83 PolarHBondContact O-N 2.71Å |
| 80 | V | 59 | Low | 54.7 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.7 | -37.3 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111.7 | E76 R77 S78 R83 L84 | E76-V80 WeakPolarHBondContact O-CG2 3.34Å; E76-V80 PolarHBondContact O-N 3.22Å; R77-V80 PolarHBondContact O-N 3.26Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.36Å; V80-R83 PolarHBondContact O-N 2.88Å; V80-L84 PolarHBondContact O-N 3.42Å; V80-L84 VanDerWaalsContact O-N 3.13Å |
| 81 | L | 59.1 | Low | 54.9 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 178.2 | -69.2 | 171.4 | 0 | 0 | 0 | 112.2 | R77 S78 R83 L84 A85 | R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 3.15Å; S78-L81 PolarHBondContact O-N 3.17Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.17Å; L81-L84 WeakPolarHBondContact O-CA 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.08Å; L81-A85 PolarHBondContact O-N 2.91Å |
| 82 | D | 55.6 | Low | 55.1 | Low | 114 Ų | 114 | 120.6 Ų | 120.6 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.6 | -37.1 | 177 | -169.8 | 57.7 | 0 | 0 | 0 | 112.3 | S78 L84 A85 S86 | S78-D82 PolarHBondContact O-N 2.93Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 3.4Å; D82-A85 PolarHBondContact O-N 3.11Å; D82-S86 WeakPolarHBondContact O-CB 3.33Å; D82-S86 PolarHBondContact O-N 3.36Å; D82-S86 PolarHBondContact O-OG 3.44Å |
| 83 | R | 58.6 | Low | 55.1 | Low | 183 Ų | 183 | 120.4 Ų | 120.4 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.2 | -25.7 | 169.6 | -81.5 | 178.8 | 168.5 | 162.5 | -1.7 | 113.9 | L79 V80 L81 S86 N87 | L79-R83 WeakPolarHBondContact O-CG 3.38Å; L79-R83 PolarHBondContact O-N 2.71Å; V80-R83 PolarHBondContact O-N 2.88Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.17Å; R83-S86 WeakPolarHBondContact CA-OG 3.34Å; R83-S86 PolarHBondContact O-OG 3.47Å; R83-N87 PolarHBondContact O-ND2 3.1Å |
| 84 | L | 53.7 | Low | 54.9 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.2 | -51 | 172.8 | -123.2 | 72.9 | 0 | 0 | 0 | 110.8 | V80 L81 D82 S86 N87 V88 | V80-L84 PolarHBondContact O-N 3.42Å; V80-L84 VanDerWaalsContact O-N 3.13Å; L81-L84 WeakPolarHBondContact O-CA 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.08Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 3.4Å; L84-S86 PolarHBondContact O-N 2.86Å; L84-N87 PolarHBondContact O-N 2.83Å; L84-V88 PolarHBondContact O-N 3.27Å |
| 85 | A | 57.4 | Low | 54.9 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -58.3 | -45.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L81 D82 N87 V88 | L81-A85 PolarHBondContact O-N 2.91Å; D82-A85 PolarHBondContact O-N 3.11Å; A85-N87 PolarHBondContact O-N 3.46Å; A85-V88 PolarHBondContact O-N 2.98Å |
| 86 | S | 57.5 | Low | 54.3 | Low | 69 Ų | 69 | 128 Ų | 128 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -64.8 | -19.5 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | D82 R83 L84 | D82-S86 WeakPolarHBondContact O-CB 3.33Å; D82-S86 PolarHBondContact O-N 3.36Å; D82-S86 PolarHBondContact O-OG 3.44Å; R83-S86 WeakPolarHBondContact CA-OG 3.34Å; R83-S86 PolarHBondContact O-OG 3.47Å; L84-S86 PolarHBondContact O-N 2.86Å |
| 87 | N | 56.3 | Low | 53.9 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -91.5 | -16.4 | 176.2 | -82.4 | -69.9 | 0 | 0 | 0 | 114.2 | R83 L84 A85 | R83-N87 PolarHBondContact O-ND2 3.1Å; L84-N87 PolarHBondContact O-N 2.83Å; A85-N87 PolarHBondContact O-N 3.46Å |
| 88 | V | 56.6 | Low | 53.5 | Low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.3 | -32.2 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | L84 A85 K90 | L84-V88 PolarHBondContact O-N 3.27Å; A85-V88 PolarHBondContact O-N 2.98Å; V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 PolarHBondContact O-N 2.82Å; V88-K90 VanDerWaalsContact O-N 3.15Å |
| 89 | A | 55.4 | Low | 52.9 | Low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 4.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 90 | K | 53.5 | Low | 52.5 | Low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 45.7 | -175.9 | -72.2 | -174.8 | 179.6 | 173.1 | 0 | 114.6 | V88 | V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 PolarHBondContact O-N 2.82Å; V88-K90 VanDerWaalsContact O-N 3.15Å |
| 91 | R | 52.3 | Low | 51.6 | Low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.8 | 108.2 | 157.8 | -65.9 | -172.9 | -173.6 | 176.8 | 3.7 | 109.8 | S93 | R91-S93 PolarHBondContact O-N 3.1Š|
| 92 | K | 54.1 | Low | 50.6 | Low | 200 Ų | 200 | 140.3 Ų | 140.3 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -45 | 126.8 | 177.2 | 58 | -161.8 | 174.3 | -177.6 | 0 | 112.2 | S94 | K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 2.9Å | ||
| 93 | S | 49.6 | Very low | 50 | Low | 124 Ų | 124 | 143.6 Ų | 143.6 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -70.7 | 87.6 | 172.4 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | R91 M95 | R91-S93 PolarHBondContact O-N 3.1Å; S93-M95 PolarHBondContact O-N 3.43Å | ||
| 94 | S | 45.2 | Very low | 48.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 120.2 | 169.4 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | K92 | K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 2.9Å | ||
| 95 | M | 50.9 | Low | 48.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -58.7 | 153.4 | 165.6 | -97.7 | -165.6 | 69.9 | 0 | 0 | 110.4 | S93 Q97 | S93-M95 PolarHBondContact O-N 3.43Å; M95-Q97 PolarHBondContact O-N 2.93Å | ||
| 96 | P | 43.1 | Very low | 47.2 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -66.8 | 99.2 | 168.1 | 28.5 | -33 | 0 | 0 | 0 | 109.1 | ||||
| 97 | Q | 46.9 | Very low | 46.3 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 133.3 | -179.2 | -168.3 | 151.1 | -38.9 | 0 | 0 | 110.2 | M95 | M95-Q97 PolarHBondContact O-N 2.93Š| ||
| 98 | K | 46.4 | Very low | 45.5 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -69.3 | 137.9 | -172.2 | -57.6 | -173.8 | -178.8 | -174.8 | 0 | 110.7 | L100 | K98-L100 PolarHBondContact O-N 3.15Š| ||
| 99 | F | 43.4 | Very low | 45.1 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -65 | 104.3 | 172.1 | -91.5 | -100.4 | 0 | 0 | 0 | 110.4 | ||||
| 100 | L | 47.1 | Very low | 44.1 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | trans | -125.5 | 113.8 | 156.3 | -69.9 | 174.4 | 0 | 0 | 0 | 105.5 | K98 | K98-L100 PolarHBondContact O-N 3.15Š| ||
| 101 | G | 41.4 | Very low | 43.2 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -92.3 | 143.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 102 | D | 38.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | -153.9 | 171.6 | 140.9 | -143.5 | -7 | 0 | 0 | 0 | 112.6 | ||||
| 103 | K | 41.7 | Very low | 42.1 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -46.1 | 152.7 | -172.6 | -47.8 | 113.3 | -169.3 | 142.2 | 0 | 116.5 | ||||
| 104 | G | 35.8 | Very low | 41.8 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 174.9 | 93.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 105 | L | 39.6 | Very low | 41.7 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -55.3 | 154.3 | 178.4 | -60 | 165.9 | 0 | 0 | 0 | 115.6 | ||||
| 106 | S | 36.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -159.2 | 123.2 | 151 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 107 | D | 38.3 | Very low | 42 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -89.4 | 152.8 | 179.5 | -55.9 | -88.6 | 0 | 0 | 0 | 113.4 | ||||
| 108 | T | 38.8 | Very low | 42.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -175.6 | 160 | 126.9 | 21.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 109 | P | 49.6 | Very low | 42.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -114.5 | -171.5 | -151.3 | 43.7 | -38 | 0 | 0 | 0 | 116.6 | ||||
| 110 | Y | 33.7 | Very low | 42.5 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 89.9 | 134.3 | 168.6 | -152.3 | -122.6 | 0 | 0 | 0 | 114.7 | ||||
| 111 | D | 34.9 | Very low | 42.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 60% | 0.604 | 76% | 0.755 | S | S | * | * | cis | -135.4 | 178.1 | 7.1 | -163.4 | 7.8 | 0 | 0 | 0 | 112.7 | ||||
| 112 | S | 41.6 | Very low | 43.5 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -88.3 | 133.2 | -175.7 | -53.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 113 | S | 41.3 | Very low | 44.4 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 173.3 | 63.4 | 139.5 | 41.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 114 | A | 42.2 | Very low | 45 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | trans | -141.4 | 56.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 115 | S | 43.9 | Very low | 46.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -94.2 | 10 | -168 | -163.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 116 | Y | 49.7 | Very low | 47.4 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -130.1 | 1.7 | -168.4 | 39.5 | -103.1 | 0 | 0 | 0 | 116.9 | ||
| 117 | E | 50.6 | Low | 49 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.9 | -32.5 | 172.7 | -64.1 | -160.1 | 124.6 | 0 | 0 | 113.9 | E119 N120 E121 | E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.12Å; E117-E119 VanDerWaalsContact O-N 3.17Å; E117-N120 WeakPolarHBondContact O-CB 3.22Å; E117-N120 PolarHBondContact O-N 3.49Å; E117-E121 PolarHBondContact O-N 3.24Å |
| 118 | K | 51.6 | Low | 50.3 | Low | 170 Ų | 170 | 129.4 Ų | 129.4 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.3 | -28.4 | -169.5 | -167.2 | 170.3 | -176.6 | 174.9 | 0 | 114.8 | M122 | K118-M122 PolarHBondContact O-N 3.27Å |
| 119 | E | 49.8 | Very low | 52 | Low | 139 Ų | 139 | 126 Ų | 126 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73 | -33.3 | 177.3 | -161.3 | -179.1 | 177.9 | 0 | 0 | 112.2 | E117 M122 M123 | E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.12Å; E117-E119 VanDerWaalsContact O-N 3.17Å; E119-M122 HydrophobicContact CG-CE 3.72Å; E119-M122 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.27Å |
| 120 | N | 46.9 | Very low | 53.4 | Low | 120 Ų | 120 | 124.9 Ų | 124.9 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.4 | -33.3 | 178.9 | -161.4 | 11.6 | 0 | 0 | 0 | 111.1 | E117 K124 | E117-N120 WeakPolarHBondContact O-CB 3.22Å; E117-N120 PolarHBondContact O-N 3.49Å; N120-K124 WeakPolarHBondContact O-CB 3.44Å; N120-K124 PolarHBondContact O-N 2.71Å |
| 121 | E | 53.7 | Low | 55.6 | Low | 147 Ų | 147 | 117.8 Ų | 117.8 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.3 | -45.4 | 178 | -168.1 | 170.8 | -141.5 | 0 | 0 | 112.6 | E117 M123 K124 S125 | E117-E121 PolarHBondContact O-N 3.24Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.15Å; E121-K124 WeakPolarHBondContact O-CB 3.5Å; E121-K124 PolarHBondContact O-N 3.31Å; E121-K124 VanDerWaalsContact O-N 3.12Å; E121-S125 PolarHBondContact O-N 3.36Å; E121-S125 VanDerWaalsContact O-N 3.15Å |
| 122 | M | 56.1 | Low | 57.6 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.1 | -36.2 | 178.2 | 75.7 | -178.9 | -160.6 | 0 | 0 | 112.4 | K118 E119 K124 H126 | K118-M122 PolarHBondContact O-N 3.27Å; E119-M122 HydrophobicContact CG-CE 3.72Å; E119-M122 WeakPolarHBondContact O-CG 3.47Å; M122-K124 VanDerWaalsContact C-N 3.32Å; M122-K124 PolarHBondContact O-N 3.34Å; M122-H126 PolarHBondContact O-N 3.31Å |
| 123 | M | 56.4 | Low | 59.4 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 53% | 0.527 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.9 | -35 | 176.4 | -159.1 | 71.3 | 71.7 | 0 | 0 | 111.5 | E119 E121 V127 | E119-M123 PolarHBondContact O-N 3.27Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.15Å; M123-V127 WeakPolarHBondContact O-CG2 3.44Å; M123-V127 PolarHBondContact O-N 2.93Å |
| 124 | K | 54.8 | Low | 61.4 | Low | 154 Ų | 154 | 115.4 Ų | 115.4 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.1 | -39.4 | -179 | -135.4 | 172.5 | -174.2 | 176.4 | 0 | 112.9 | N120 E121 M122 M128 | N120-K124 WeakPolarHBondContact O-CB 3.44Å; N120-K124 PolarHBondContact O-N 2.71Å; E121-K124 WeakPolarHBondContact O-CB 3.5Å; E121-K124 PolarHBondContact O-N 3.31Å; E121-K124 VanDerWaalsContact O-N 3.12Å; M122-K124 VanDerWaalsContact C-N 3.32Å; M122-K124 PolarHBondContact O-N 3.34Å; K124-M128 PolarHBondContact O-N 3.48Å |
| 125 | S | 57.8 | Low | 62.9 | Low | 64 Ų | 64 | 113.1 Ų | 113.1 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.8 | -54.4 | 170.6 | 144.1 | 0 | 0 | 0 | 0 | 110.2 | E121 V127 M128 D129 | E121-S125 PolarHBondContact O-N 3.36Å; E121-S125 VanDerWaalsContact O-N 3.15Å; S125-V127 VanDerWaalsContact C-N 3.27Å; S125-V127 PolarHBondContact O-N 3.13Å; S125-V127 VanDerWaalsContact O-N 3.15Å; S125-M128 CarbonylContact O-C 3.42Å; S125-M128 WeakPolarHBondContact O-CA 3.46Å; S125-M128 WeakPolarHBondContact O-CB 3.46Å; S125-M128 PolarHBondContact O-N 3.09Å; S125-D129 PolarHBondContact O-N 3.05Å; S125-D129 VanDerWaalsContact O-OD2 3.04Å; S125-D129 PolarHBondContact OG-OD2 3.31Å |
| 126 | H | 66.5 | Low | 64.5 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.1 | -36.3 | -173.5 | -164.5 | -41.7 | 0 | 0 | 0 | 112.9 | M122 Q130 | M122-H126 PolarHBondContact O-N 3.31Å; H126-Q130 WeakPolarHBondContact O-CB 3.34Å; H126-Q130 PolarHBondContact O-N 3.47Å |
| 127 | V | 69.9 | Low | 65.7 | Low | 101 Ų | 101 | 108 Ų | 108 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.5 | -37.2 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 112 | M123 S125 A131 | M123-V127 WeakPolarHBondContact O-CG2 3.44Å; M123-V127 PolarHBondContact O-N 2.93Å; S125-V127 VanDerWaalsContact C-N 3.27Å; S125-V127 PolarHBondContact O-N 3.13Å; S125-V127 VanDerWaalsContact O-N 3.15Å; V127-A131 PolarHBondContact O-N 3.43Å; V127-A131 VanDerWaalsContact O-N 3.11Å |
| 128 | M | 67.6 | Low | 66.8 | Low | 125 Ų | 125 | 110.5 Ų | 110.5 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -46.6 | 175.5 | -173.4 | 173.4 | -68 | 0 | 0 | 111.6 | K124 S125 Q130 A131 I132 | K124-M128 PolarHBondContact O-N 3.48Å; S125-M128 CarbonylContact O-C 3.42Å; S125-M128 WeakPolarHBondContact O-CA 3.46Å; S125-M128 WeakPolarHBondContact O-CB 3.46Å; S125-M128 PolarHBondContact O-N 3.09Å; M128-Q130 VanDerWaalsContact C-N 3.32Å; M128-Q130 PolarHBondContact O-N 3.25Å; M128-A131 WeakPolarHBondContact O-CB 3.37Å; M128-A131 PolarHBondContact O-N 3.43Å; M128-A131 VanDerWaalsContact O-N 3.15Å; M128-I132 HydrophobicContact CG-CD1 4.06Å; M128-I132 WeakPolarHBondContact O-CG1 3.19Å; M128-I132 PolarHBondContact O-N 3.43Å |
| 129 | D | 73.6 | Confident | 67.9 | Low | 73 Ų | 73 | 107 Ų | 107 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 177.2 | -66.9 | -51.2 | 0 | 0 | 0 | 111.4 | S125 A131 I132 N133 | S125-D129 PolarHBondContact O-N 3.05Å; S125-D129 VanDerWaalsContact O-OD2 3.04Å; S125-D129 PolarHBondContact OG-OD2 3.31Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-A131 PolarHBondContact O-N 3.35Å; D129-I132 PolarHBondContact O-N 2.88Å; D129-N133 WeakPolarHBondContact O-CB 3.37Å; D129-N133 PolarHBondContact O-N 3.07Å; D129-N133 PolarHBondContact O-ND2 3.33Å |
| 130 | Q | 79.7 | Confident | 68.8 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 173.6 | -166.2 | 72 | 65.1 | 0 | 0 | 111.9 | H126 M128 N134 | H126-Q130 WeakPolarHBondContact O-CB 3.34Å; H126-Q130 PolarHBondContact O-N 3.47Å; M128-Q130 VanDerWaalsContact C-N 3.32Å; M128-Q130 PolarHBondContact O-N 3.25Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 VanDerWaalsContact O-CG 3.3Å; Q130-N134 PolarHBondContact O-N 3.09Å; Q130-N134 PolarHBondContact O-ND2 3.41Å |
| 131 | A | 79.9 | Confident | 69.6 | Low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V127 M128 D129 N134 A135 | V127-A131 PolarHBondContact O-N 3.43Å; V127-A131 VanDerWaalsContact O-N 3.11Å; M128-A131 WeakPolarHBondContact O-CB 3.37Å; M128-A131 PolarHBondContact O-N 3.43Å; M128-A131 VanDerWaalsContact O-N 3.15Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-A131 PolarHBondContact O-N 3.35Å; A131-N134 PolarHBondContact O-N 3.32Å; A131-A135 WeakPolarHBondContact O-CB 3.47Å; A131-A135 PolarHBondContact O-N 3.37Å |
| 132 | I | 76.7 | Confident | 69.9 | Low | 85 Ų | 85 | 98 Ų | 98 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 176 | -68.7 | 163.9 | 0 | 0 | 0 | 110.6 | M128 D129 N134 A135 I136 | M128-I132 HydrophobicContact CG-CD1 4.06Å; M128-I132 WeakPolarHBondContact O-CG1 3.19Å; M128-I132 PolarHBondContact O-N 3.43Å; D129-I132 PolarHBondContact O-N 2.88Å; I132-N134 PolarHBondContact O-N 3.41Å; I132-A135 PolarHBondContact O-N 2.96Å; I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 3.34Å |
| 133 | N | 79.2 | Confident | 69.7 | Low | 94 Ų | 94 | 96.6 Ų | 96.6 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 179 | -78.3 | -77.2 | 0 | 0 | 0 | 112.4 | D129 I136 N137 | D129-N133 WeakPolarHBondContact O-CB 3.37Å; D129-N133 PolarHBondContact O-N 3.07Å; D129-N133 PolarHBondContact O-ND2 3.33Å; N133-I136 PolarHBondContact O-N 3.44Å; N133-N137 PolarHBondContact O-N 3.03Å |
| 134 | N | 82.5 | Confident | 69.6 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.4 | -78.6 | -29.8 | 0 | 0 | 0 | 112.2 | Q130 A131 I132 N137 Y138 | Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 VanDerWaalsContact O-CG 3.3Å; Q130-N134 PolarHBondContact O-N 3.09Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; A131-N134 PolarHBondContact O-N 3.32Å; I132-N134 PolarHBondContact O-N 3.41Å; N134-N137 PolarHBondContact O-N 3.32Å; N134-Y138 WeakPolarHBondContact O-CB 3.41Å; N134-Y138 PolarHBondContact O-N 3.19Å |
| 135 | A | 74.3 | Confident | 69.8 | Low | 42 Ų | 42 | 95.9 Ų | 95.9 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A131 I132 N137 Y138 L139 | A131-A135 WeakPolarHBondContact O-CB 3.47Å; A131-A135 PolarHBondContact O-N 3.37Å; I132-A135 PolarHBondContact O-N 2.96Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.2Å; A135-Y138 PolarHBondContact O-N 3.42Å; A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 2.77Å |
| 136 | I | 77 | Confident | 69.4 | Low | 60 Ų | 60 | 98.3 Ų | 98.3 | 31% | 0.308 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.2 | -67.5 | 162.2 | 0 | 0 | 0 | 110.8 | I132 N133 G140 A141 L144 | I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 3.34Å; N133-I136 PolarHBondContact O-N 3.44Å; I136-G140 CarbonylContact O-C 3.6Å; I136-G140 VanDerWaalsContact O-CA 3.25Å; I136-G140 WeakPolarHBondContact O-CA 3.34Å; I136-G140 PolarHBondContact O-N 3.44Å; I136-A141 HydrophobicContact CG2-CB 4.19Å; I136-L144 HydrophobicContact CB-CD1 4.43Å; I136-L144 HydrophobicContact CG1-CD1 3.7Å |
| 137 | N | 75.3 | Confident | 68.4 | Low | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.3 | -32.8 | 178.3 | -113.1 | 20.6 | 0 | 0 | 0 | 113.2 | N133 N134 A135 | N133-N137 PolarHBondContact O-N 3.03Å; N134-N137 PolarHBondContact O-N 3.32Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.2Å |
| 138 | Y | 73.1 | Confident | 67.1 | Low | 209 Ų | 209 | 101.3 Ų | 101.3 | 82% | 0.82 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -84.2 | -34.1 | -176.8 | -159.1 | -89.6 | 0 | 0 | 0 | 113.3 | N134 A135 | N134-Y138 WeakPolarHBondContact O-CB 3.41Å; N134-Y138 PolarHBondContact O-N 3.19Å; A135-Y138 PolarHBondContact O-N 3.42Å |
| 139 | L | 75.1 | Confident | 65.8 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -95.6 | -14.3 | -179.6 | -61.4 | 173.3 | 0 | 0 | 0 | 113.6 | A135 S143 L144 | A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 2.77Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-OG 3.4Å; L139-L144 HydrophobicContact CD1-CD2 4.17Å |
| 140 | G | 67.8 | Low | 64.3 | Low | 30 Ų | 30 | 106.1 Ų | 106.1 | 31% | 0.309 | 58% | 0.577 | S | S | . | * | trans | 75.8 | 139.3 | -169 | 0 | 0 | 0 | 0 | 0 | 112.3 | I136 E142 S143 | I136-G140 CarbonylContact O-C 3.6Å; I136-G140 VanDerWaalsContact O-CA 3.25Å; I136-G140 WeakPolarHBondContact O-CA 3.34Å; I136-G140 PolarHBondContact O-N 3.44Å; G140-E142 PolarHBondContact O-N 3.45Å; G140-E142 VanDerWaalsContact O-N 3.07Å; G140-S143 PolarHBondContact O-N 3.35Å; G140-S143 VanDerWaalsContact O-N 3.08Å | ||
| 141 | A | 64.3 | Low | 62.3 | Low | 59 Ų | 59 | 107.3 Ų | 107.3 | 49% | 0.488 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -59.9 | -20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I136 S143 | I136-A141 HydrophobicContact CG2-CB 4.19Å; A141-S143 VanDerWaalsContact C-N 3.34Å |
| 142 | E | 59.5 | Low | 60.7 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -64.1 | -34.3 | 175.6 | -114.1 | 53.7 | -157.7 | 0 | 0 | 112.9 | G140 L144 R145 | G140-E142 PolarHBondContact O-N 3.45Å; G140-E142 VanDerWaalsContact O-N 3.07Å; E142-L144 PolarHBondContact O-N 2.91Å; E142-R145 VanDerWaalsContact CD-CZ 3.42Å; E142-R145 IonicContact OE1-CZ 3.14Å; E142-R145 IonicContact OE1-NH1 2.7Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 3.31Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NH1 3.62Å; E142-R145 IonicContact OE2-NH2 3.01Å; E142-R145 PolarHBondContact OE2-NH2 2.96Å |
| 143 | S | 53.7 | Low | 58.7 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -81.8 | -12.3 | -171.1 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | L139 G140 A141 | L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-OG 3.4Å; G140-S143 PolarHBondContact O-N 3.35Å; G140-S143 VanDerWaalsContact O-N 3.08Å; A141-S143 VanDerWaalsContact C-N 3.34Å |
| 144 | L | 53.4 | Low | 56.7 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -105.5 | 16.5 | -170.8 | -63.5 | 174.7 | 0 | 0 | 0 | 113.4 | I136 L139 E142 P146 | I136-L144 HydrophobicContact CB-CD1 4.43Å; I136-L144 HydrophobicContact CG1-CD1 3.7Å; L139-L144 HydrophobicContact CD1-CD2 4.17Å; E142-L144 PolarHBondContact O-N 2.91Å; L144-P146 WeakPolarHBondContact O-CD 3.33Å |
| 145 | R | 58.9 | Low | 54.4 | Low | 153 Ų | 153 | 111.6 Ų | 111.6 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | trans | -84.1 | 118.8 | -179.3 | -65.2 | 179.1 | 178.4 | 147.4 | 7 | 111 | E142 L147 | E142-R145 VanDerWaalsContact CD-CZ 3.42Å; E142-R145 IonicContact OE1-CZ 3.14Å; E142-R145 IonicContact OE1-NH1 2.7Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 3.31Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NH1 3.62Å; E142-R145 IonicContact OE2-NH2 3.01Å; E142-R145 PolarHBondContact OE2-NH2 2.96Å; R145-L147 PolarHBondContact O-N 3.48Å | ||
| 146 | P | 49.1 | Very low | 52.9 | Low | 115 Ų | 115 | 118.3 Ų | 118.3 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | trans | -62.1 | 135.2 | 172.9 | -22 | 34.4 | 0 | 0 | 0 | 111.2 | L144 V148 | L144-P146 WeakPolarHBondContact O-CD 3.33Å; P146-V148 PolarHBondContact O-N 2.96Å | ||
| 147 | L | 46.4 | Very low | 51.1 | Low | 167 Ų | 167 | 121.9 Ų | 121.9 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -79.2 | 84.1 | -175.5 | -148.5 | 82.6 | 0 | 0 | 0 | 111.2 | R145 Q149 | R145-L147 PolarHBondContact O-N 3.48Å; L147-Q149 PolarHBondContact O-N 3.15Å | ||
| 148 | V | 42.9 | Very low | 49.4 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 105.3 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | P146 T150 | P146-V148 PolarHBondContact O-N 2.96Å; V148-T150 HydrophobicContact CG1-CG2 4.4Å | ||
| 149 | Q | 39.8 | Very low | 48.3 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.1 | 163.5 | -71.4 | -173.8 | -2.7 | 0 | 0 | 109.9 | L147 | L147-Q149 PolarHBondContact O-N 3.15Š|
| 150 | T | 40.9 | Very low | 46.5 | Very low | 122 Ų | 122 | 118 Ų | 118 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 129.7 | 172.2 | 45 | 0 | 0 | 0 | 0 | 110.6 | V148 | V148-T150 HydrophobicContact CG1-CG2 4.4Š|
| 151 | P | 39.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 141.8 | 169.6 | -15.7 | 30.3 | 0 | 0 | 0 | 110.9 | G153 | P151-G153 PolarHBondContact O-N 3.44Š|
| 152 | P | 45.3 | Very low | 43.4 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 107 | 172.1 | 29.1 | -32.6 | 0 | 0 | 0 | 110.5 | ||||
| 153 | G | 34.8 | Very low | 43.3 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 140.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | P151 | P151-G153 PolarHBondContact O-N 3.44Š| ||
| 154 | G | 36.4 | Very low | 42.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -87.8 | 167.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 155 | S | 34.3 | Very low | 41.1 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -147.4 | 148 | 161.1 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | E | 42.7 | Very low | 39.7 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -86.9 | 146 | -172 | -51.2 | 177 | 132.6 | 0 | 0 | 112.6 | ||||
| 157 | V | 39.5 | Very low | 38.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | -152.6 | 140 | 122.4 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 158 | V | 40.9 | Very low | 38 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -127.5 | 123.9 | 171.5 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 159 | P | 48.6 | Very low | 37.7 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -145.6 | 161.1 | 130.1 | 29.2 | -10.3 | 0 | 0 | 0 | 113.2 | ||||
| 160 | V | 38.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | cis | -167.9 | 172.2 | -22.3 | 114.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 161 | I | 37.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | 85.5 | 135.9 | 177.2 | -41.4 | -172.6 | 0 | 0 | 0 | 116.5 | ||||
| 162 | S | 29.1 | Very low | 36.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -105.8 | -156 | -177.8 | -49 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 163 | P | 56.6 | Low | 35.8 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | -116 | -178.5 | -80.2 | 36.8 | -21.9 | 0 | 0 | 0 | 111.9 | |||||
| 164 | M | 29.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 167.6 | 158.9 | 133.1 | -92 | -73.7 | 104.2 | 0 | 0 | 112 | ||||
| 165 | Y | 33 | Very low | 35.3 | Very low | 207 Ų | 207 | 143.8 Ų | 143.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 153.4 | 172.9 | -59.1 | -99.5 | 0 | 0 | 0 | 111.6 | ||||
| 166 | Q | 28.7 | Very low | 35.9 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | -163.4 | 168.9 | 116.8 | -109.9 | 173.5 | 24.3 | 0 | 0 | 113.9 | |||||
| 167 | L | 30.2 | Very low | 35.4 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -132.6 | 148.6 | -168.2 | 175.7 | 68.7 | 0 | 0 | 0 | 109.5 | ||||
| 168 | H | 29.9 | Very low | 34.8 | Very low | 171 Ų | 171 | 143 Ų | 143 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | 100.1 | 138 | 169 | -60.9 | 128.3 | 0 | 0 | 0 | 120.6 | ||||
| 169 | K | 36.3 | Very low | 34.2 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -55.4 | 171.1 | 160.5 | -80.4 | 175.3 | 175.5 | 177.6 | 0 | 112.2 | ||||
| 170 | P | 40.5 | Very low | 34 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -155.1 | 170.7 | 38 | 45.5 | -24.2 | 0 | 0 | 0 | 121.8 | ||||
| 171 | L | 27.7 | Very low | 33.6 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 52.9 | 111.7 | 135 | -170.2 | 71.4 | 0 | 0 | 0 | 122.6 | ||||
| 172 | A | 27.4 | Very low | 33.4 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 41.9 | 168.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 173 | E | 29.3 | Very low | 33.7 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | cis | -133 | 176.4 | -8.1 | -93.4 | -149.5 | 124.8 | 0 | 0 | 106.8 | ||||
| 174 | G | 29.9 | Very low | 32.3 | Very low | 57 Ų | 57 | 145.3 Ų | 145.3 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | cis | 138 | 135.8 | 8.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 175 | T | 31.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -168.5 | 159.2 | 173 | 8.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | P | 46.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | -141.5 | -166.7 | -117.7 | 38.6 | -16.2 | 0 | 0 | 0 | 117.2 | |||||
| 177 | R | 32.5 | Very low | 32.7 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | 95.6 | 140.5 | 167.8 | -62.4 | 179.6 | 171.4 | -177.7 | -3.4 | 116.2 | ||||
| 178 | S | 28.2 | Very low | 32.8 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | cis | -167.3 | 154.4 | -10.2 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 179 | N | 27.7 | Very low | 32.7 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 71.6 | 151.5 | 168.5 | -44.6 | -32.2 | 0 | 0 | 0 | 114.5 | ||||
| 180 | H | 43.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | cis | -132.5 | 178.2 | 15.1 | -62.9 | -103.4 | 0 | 0 | 0 | 113 | ||||
| 181 | S | 30.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -95.3 | 167.4 | -166.2 | 48.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 182 | A | 34.3 | Very low | 32.8 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | cis | -179 | 161.1 | -23.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | Q | 35.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 59.4 | 157.2 | 162.6 | -54.1 | -41.1 | 81.3 | 0 | 0 | 119.8 | ||||
| 184 | D | 26.5 | Very low | 33 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | cis | -151.6 | 141.7 | -20.5 | -107.3 | -41.6 | 0 | 0 | 0 | 105.2 | ||||
| 185 | S | 35.5 | Very low | 33.1 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 80.6 | 100.2 | 62.3 | -155.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 186 | A | 32.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | trans | 81.2 | 162.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 187 | V | 31.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | trans | 70.3 | 132.7 | 161.2 | -58.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 188 | E | 31.3 | Very low | 32.2 | Very low | 155 Ų | 155 | 126 Ų | 126 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | 70.5 | 105.8 | 134.4 | -76.6 | -77.7 | 97.8 | 0 | 0 | 122.9 | ||||
| 189 | N | 29.5 | Very low | 32.3 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | 84.2 | 143.3 | 117.4 | -119.3 | -28.5 | 0 | 0 | 0 | 123.2 | |||||
| 190 | L | 35.5 | Very low | 33 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | 66.5 | 150.2 | 159.5 | -56.8 | 164.5 | 0 | 0 | 0 | 120 | ||||
| 191 | L | 34.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | cis | -173.6 | 142.9 | -25.7 | 178.1 | 58.8 | 0 | 0 | 0 | 111.5 | ||||
| 192 | L | 35.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | trans | 64.7 | 162.8 | 163.9 | -78.8 | 164.4 | 0 | 0 | 0 | 117.1 | K195 | L192-K195 HydrophobicContact CD2-CD 4.39Š| ||
| 193 | L | 31 | Very low | 32.3 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -116.8 | 158.6 | -1.5 | -73.9 | 82.3 | 0 | 0 | 0 | 109.5 | ||
| 194 | S | 31.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -147.4 | 140.6 | -1.4 | 50.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 195 | K | 30.7 | Very low | 32.3 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | 49.6 | 138.4 | 70.1 | -96.2 | -172.1 | 174.5 | -178.4 | 0 | 114.2 | L192 K197 | L192-K195 HydrophobicContact CD2-CD 4.39Å; K195-K197 HydrophobicContact CG-CG 4.33Å | |||
| 196 | A | 30.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -118.7 | 155.1 | 10.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 197 | K | 32 | Very low | 33 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 68% | 0.683 | 76% | 0.76 | S | S | * | * | cis | 67.2 | 143.9 | 29.1 | -68.6 | -140.9 | 154.3 | -166.5 | 0 | 114.9 | K195 | K195-K197 HydrophobicContact CG-CG 4.33Š| ||
| 198 | L | 28.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 137 Ų | 137 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | cis | -171.1 | 169.9 | -21.8 | -92.6 | -164.6 | 0 | 0 | 0 | 105 | ||||
| 199 | V | 29.9 | Very low | 33.3 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | -155.8 | 162.3 | 5.9 | 99.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | P | 42.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -78.5 | 171.5 | 173.4 | -1.3 | 19.4 | 0 | 0 | 0 | 113 | ||||
| 201 | S | 27.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -139.7 | 133.7 | 168.3 | -167.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | E | 34.1 | Very low | 34 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -108.7 | 145.8 | 176.5 | -58.2 | -174.7 | 150.4 | 0 | 0 | 110.4 | ||||
| 203 | R | 33.3 | Very low | 33.8 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 179.4 | 124.5 | 142.1 | -101.4 | 157.9 | -172.1 | -153 | -0.5 | 112.8 | ||||
| 204 | E | 31.4 | Very low | 34.8 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | 25.7 | 109 | 129.9 | -61.6 | -69.2 | 101.8 | 0 | 0 | 118.6 | |||||
| 205 | A | 28.8 | Very low | 35.5 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 179.1 | 135.5 | 130 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 206 | S | 37.8 | Very low | 36.3 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -106.8 | 146.9 | 157.6 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 207 | P | 46.6 | Very low | 37.2 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -144.2 | 172.1 | 123.3 | 36.9 | -22.3 | 0 | 0 | 0 | 114.7 | |||||
| 208 | S | 36.3 | Very low | 37.8 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -102.5 | 152.1 | -166.6 | -34.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 209 | N | 32.3 | Very low | 38.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 171 | 171.8 | 143.7 | 60.7 | 62.9 | 0 | 0 | 0 | 108.8 | ||||
| 210 | S | 34.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | cis | -146.2 | 164.5 | -8.2 | -163.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 211 | C | 37.8 | Very low | 38.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -91.1 | 147.3 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 212 | Q | 41.6 | Very low | 38.9 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -152.4 | 131 | 141.1 | -63.5 | -164.7 | -2 | 0 | 0 | 104.6 | ||||
| 213 | D | 31.5 | Very low | 39 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | 70.5 | 116.4 | 29.4 | -162.1 | 27.6 | 0 | 0 | 0 | 115.3 | ||||
| 214 | S | 51.3 | Low | 39.2 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -156.4 | 119.8 | 171.8 | -71.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 215 | T | 46.4 | Very low | 39.4 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -133.6 | 132.3 | 166.3 | 36 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 216 | D | 47.7 | Very low | 39.5 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -144.9 | 158.1 | 179.2 | 43 | -74.6 | 0 | 0 | 0 | 111 | ||||
| 217 | T | 50.8 | Low | 39.2 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -133.8 | 153.4 | -135.4 | -29.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 218 | E | 42.8 | Very low | 38.8 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | 22 | 125.8 | 152 | -171 | 178.9 | 121.6 | 0 | 0 | 120 | ||||
| 219 | S | 37.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -149.1 | 115.2 | 143.7 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 220 | N | 40.7 | Very low | 38.7 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 151.1 | 167.2 | -177 | 38.3 | 0 | 0 | 0 | 109.6 | ||||
| 221 | N | 35.3 | Very low | 39 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -152.4 | 149.2 | 167.2 | -162.2 | 8.2 | 0 | 0 | 0 | 110.7 | ||||
| 222 | E | 39.1 | Very low | 38.7 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -115 | 170.6 | -159.9 | -64.1 | -150.3 | 84.4 | 0 | 0 | 115.7 | ||||
| 223 | E | 37 | Very low | 38.8 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 89.8 | 156.3 | 138.7 | -125.3 | -166.4 | 92.2 | 0 | 0 | 121.6 | ||||
| 224 | Q | 36.2 | Very low | 39.1 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | trans | 70.5 | 80.8 | 159.8 | -59.6 | 177.8 | 21.3 | 0 | 0 | 120.9 | ||||
| 225 | R | 35.8 | Very low | 38.3 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | -166.4 | 135.7 | 93.4 | -108.2 | 175 | -175.5 | 75.5 | 0.6 | 115.3 | |||||
| 226 | S | 30.6 | Very low | 37.7 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 149.6 | 163.2 | -43.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 227 | G | 31.6 | Very low | 37.2 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 163.5 | 38 | 169.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 228 | L | 38.4 | Very low | 36.4 | Very low | 173 Ų | 173 | 151 Ų | 151 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 160.8 | 153 | -62.1 | 171 | 0 | 0 | 0 | 122.2 | ||||
| 229 | I | 35.2 | Very low | 36.2 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | 104.7 | 105.8 | 153.3 | -54.1 | -166.2 | 0 | 0 | 0 | 119 | ||||
| 230 | Y | 32.3 | Very low | 36 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 65.2 | 117.7 | 150 | -104.6 | -123.8 | 0 | 0 | 0 | 123.6 | ||||
| 231 | L | 39.3 | Very low | 36 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | trans | 27.2 | 117.7 | 139 | -57.6 | 178.9 | 0 | 0 | 0 | 120.6 | ||||
| 232 | T | 32.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | 177.3 | 147 | 109.6 | -74.2 | 0 | 0 | 0 | 0 | 111.1 | H234 | T232-H234 PolarHBondContact O-N 3.38Š| |||
| 233 | N | 43.5 | Very low | 36.5 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -70.3 | 117.4 | -179.4 | -72.5 | -22.6 | 0 | 0 | 0 | 113.2 | ||||
| 234 | H | 37.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 148 Ų | 148 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -154.5 | 119.6 | 147.6 | -84.3 | -64.9 | 0 | 0 | 0 | 110.4 | T232 | T232-H234 PolarHBondContact O-N 3.38Š| ||
| 235 | I | 34.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -125.9 | 115 | 166.7 | -62.1 | 178.3 | 0 | 0 | 0 | 107.9 | ||||
| 236 | A | 33.7 | Very low | 37.8 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -103.2 | 128.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | H238 | A236-H238 PolarHBondContact O-N 3.48Š| ||
| 237 | P | 37.6 | Very low | 38.2 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -88.8 | 92.6 | -177.5 | 33.1 | -33.3 | 0 | 0 | 0 | 112.7 | ||||
| 238 | H | 34.9 | Very low | 38.7 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -134.4 | 140.4 | 159.4 | -72.2 | -26.1 | 0 | 0 | 0 | 109 | A236 | A236-H238 PolarHBondContact O-N 3.48Š| ||
| 239 | A | 36.8 | Very low | 39 | Very low | 85 Ų | 85 | 148 Ų | 148 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 147.6 | -21.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 240 | R | 34.5 | Very low | 39.5 | Very low | 251 Ų | 251 | 147.8 Ų | 147.8 | 95% | 0.947 | 77% | 0.765 | S | S | * | * | trans | -139.9 | 136.5 | 162.4 | -85 | -162.7 | 164.3 | -166.2 | -6.1 | 110.5 | ||||
| 241 | N | 39.8 | Very low | 40.2 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -78.5 | 130.2 | -171.9 | -64.6 | -20.7 | 0 | 0 | 0 | 111.1 | ||||
| 242 | G | 37 | Very low | 40.6 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -131.1 | 132.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S244 | G242-S244 PolarHBondContact O-N 2.95Š| ||
| 243 | L | 47.9 | Very low | 41.4 | Very low | 185 Ų | 185 | 139 Ų | 139 | 97% | 0.969 | 72% | 0.721 | S | S | * | * | trans | -62.1 | 132.5 | -168.8 | -64.6 | 168.5 | 0 | 0 | 0 | 111.3 | ||||
| 244 | S | 40.8 | Very low | 41.9 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 53% | 0.531 | 71% | 0.712 | S | S | . | * | trans | -99.7 | 113.1 | -171.6 | -159.3 | 0 | 0 | 0 | 0 | 111.8 | G242 K246 E247 | G242-S244 PolarHBondContact O-N 2.95Å; S244-K246 PolarHBondContact O-N 3.5Å; S244-K246 WeakPolarHBondContact OG-CB 3.25Å; S244-E247 PolarHBondContact O-N 2.79Å | ||
| 245 | L | 48.3 | Very low | 42.8 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 86% | 0.859 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -2.6 | 168 | -76.9 | 165.9 | 0 | 0 | 0 | 114.1 | E247 | L245-E247 PolarHBondContact O-N 2.95Š|
| 246 | K | 46.2 | Very low | 43.7 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.6 | -9 | 171.4 | -156.4 | 164.8 | -171.7 | 167.3 | 0 | 113.3 | S244 R250 | S244-K246 PolarHBondContact O-N 3.5Å; S244-K246 WeakPolarHBondContact OG-CB 3.25Å; K246-R250 PolarHBondContact O-N 2.83Å |
| 247 | E | 40.4 | Very low | 44.3 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.2 | -40.4 | 177.5 | -167.4 | 152.6 | -158.9 | 0 | 0 | 112.6 | S244 L245 R250 A251 | S244-E247 PolarHBondContact O-N 2.79Å; L245-E247 PolarHBondContact O-N 2.95Å; E247-R250 CarbonylContact O-C 3.47Å; E247-R250 WeakPolarHBondContact O-CA 3.21Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.84Å; E247-R250 VanDerWaalsContact O-N 3.11Å; E247-A251 PolarHBondContact O-N 3.43Å |
| 248 | E | 40.8 | Very low | 44.6 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -57.3 | -50.6 | 173.7 | -92.7 | -75.2 | 107.9 | 0 | 0 | 112.7 | R250 A251 Y252 | E248-R250 PolarHBondContact O-N 2.89Å; E248-A251 WeakPolarHBondContact O-CB 3.37Å; E248-A251 PolarHBondContact O-N 2.87Å; E248-A251 VanDerWaalsContact O-N 3.09Å; E248-Y252 PolarHBondContact O-N 2.96Å |
| 249 | H | 44.6 | Very low | 45.3 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 68% | 0.681 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60 | -36.8 | 175.3 | -108.9 | -120.1 | 0 | 0 | 0 | 112 | Y252 D253 | H249-Y252 PolarHBondContact O-N 3.44Å; H249-D253 PolarHBondContact O-N 2.74Å |
| 250 | R | 45.8 | Very low | 45.9 | Very low | 151 Ų | 151 | 123 Ų | 123 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.7 | -33.4 | 174.4 | -85.5 | -175.4 | 167.8 | 142.2 | -7.1 | 113 | K246 E247 E248 Y252 D253 L254 | K246-R250 PolarHBondContact O-N 2.83Å; E247-R250 CarbonylContact O-C 3.47Å; E247-R250 WeakPolarHBondContact O-CA 3.21Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.84Å; E247-R250 VanDerWaalsContact O-N 3.11Å; E248-R250 PolarHBondContact O-N 2.89Å; R250-Y252 VanDerWaalsContact C-N 3.3Å; R250-D253 PolarHBondContact O-N 3.37Å; R250-L254 WeakPolarHBondContact O-CB 3.07Å; R250-L254 WeakPolarHBondContact O-CD1 3.36Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.7Å |
| 251 | A | 48.5 | Very low | 46.4 | Very low | 39 Ų | 39 | 118.6 Ų | 118.6 | 32% | 0.322 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.4 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E247 E248 L254 L255 | E247-A251 PolarHBondContact O-N 3.43Å; E248-A251 WeakPolarHBondContact O-CB 3.37Å; E248-A251 PolarHBondContact O-N 2.87Å; E248-A251 VanDerWaalsContact O-N 3.09Å; A251-L254 PolarHBondContact O-N 3.41Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 WeakPolarHBondContact O-CD1 3.48Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.42Å |
| 252 | Y | 46.2 | Very low | 46.9 | Very low | 179 Ų | 179 | 114.6 Ų | 114.6 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.7 | -43.8 | 176.1 | -145.5 | -88.8 | 0 | 0 | 0 | 113 | E248 H249 R250 R256 | E248-Y252 PolarHBondContact O-N 2.96Å; H249-Y252 PolarHBondContact O-N 3.44Å; R250-Y252 VanDerWaalsContact C-N 3.3Å; Y252-R256 PolarHBondContact O-N 2.75Å |
| 253 | D | 49.9 | Very low | 47.8 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 38% | 0.38 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.2 | -35.8 | 174 | -83.9 | -43.8 | 0 | 0 | 0 | 113.1 | H249 R250 R256 A257 | H249-D253 PolarHBondContact O-N 2.74Å; R250-D253 PolarHBondContact O-N 3.37Å; D253-R256 PolarHBondContact O-N 2.95Å; D253-R256 IonicContact OD1-CZ 2.73Å; D253-R256 IonicContact OD1-NH1 3.19Å; D253-R256 PolarHBondContact OD1-NH1 3.12Å; D253-R256 IonicContact OD1-NH2 2.71Å; D253-R256 PolarHBondContact OD1-NH2 3.11Å; D253-A257 PolarHBondContact O-N 3.3Å |
| 254 | L | 53.4 | Low | 47.9 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.5 | -34.8 | 177.5 | -75.7 | 166.5 | 0 | 0 | 0 | 112.2 | R250 A251 R256 A257 A258 | R250-L254 WeakPolarHBondContact O-CB 3.07Å; R250-L254 WeakPolarHBondContact O-CD1 3.36Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.7Å; A251-L254 PolarHBondContact O-N 3.41Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-A257 PolarHBondContact O-N 2.98Å; L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 3.07Å |
| 255 | L | 57.2 | Low | 48.6 | Very low | 119 Ų | 119 | 115.9 Ų | 115.9 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 169.4 | -73.2 | 166.3 | 0 | 0 | 0 | 110.4 | A251 A257 A258 S259 | A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 WeakPolarHBondContact O-CD1 3.48Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.42Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 2.97Å; L255-A258 PolarHBondContact O-N 2.81Å; L255-S259 WeakPolarHBondContact O-CB 3.43Å; L255-S259 PolarHBondContact O-N 3.36Å |
| 256 | R | 52.7 | Low | 49.3 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.9 | -38.8 | 172 | -165.4 | 179 | 69.7 | -117.1 | -11.6 | 112 | Y252 D253 L254 S259 | Y252-R256 PolarHBondContact O-N 2.75Å; D253-R256 PolarHBondContact O-N 2.95Å; D253-R256 IonicContact OD1-CZ 2.73Å; D253-R256 IonicContact OD1-NH1 3.19Å; D253-R256 PolarHBondContact OD1-NH1 3.12Å; D253-R256 IonicContact OD1-NH2 2.71Å; D253-R256 PolarHBondContact OD1-NH2 3.11Å; L254-R256 VanDerWaalsContact C-N 3.34Å; R256-S259 WeakPolarHBondContact O-CB 3.47Å |
| 257 | A | 46.6 | Very low | 50.4 | Low | 52 Ų | 52 | 115 Ų | 115 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.2 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | D253 L254 L255 S259 E260 | D253-A257 PolarHBondContact O-N 3.3Å; L254-A257 PolarHBondContact O-N 2.98Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 2.97Å; A257-S259 VanDerWaalsContact C-N 3.3Å; A257-S259 PolarHBondContact O-N 2.88Å; A257-E260 PolarHBondContact O-N 2.92Å |
| 258 | A | 43.8 | Very low | 52.1 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 51% | 0.512 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L254 L255 E260 N261 | L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 3.07Å; L255-A258 PolarHBondContact O-N 2.81Å; A258-E260 PolarHBondContact O-N 3.2Å; A258-N261 PolarHBondContact O-N 3.49Å |
| 259 | S | 50.9 | Low | 54 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -26.4 | 175.1 | -166 | 0 | 0 | 0 | 0 | 113.2 | L255 R256 A257 N261 S262 | L255-S259 WeakPolarHBondContact O-CB 3.43Å; L255-S259 PolarHBondContact O-N 3.36Å; R256-S259 WeakPolarHBondContact O-CB 3.47Å; A257-S259 VanDerWaalsContact C-N 3.3Å; A257-S259 PolarHBondContact O-N 2.88Å; S259-N261 PolarHBondContact O-N 2.65Å; S259-S262 PolarHBondContact O-N 3.07Å |
| 260 | E | 48.8 | Very low | 55.5 | Low | 100 Ų | 100 | 101.5 Ų | 101.5 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -69 | -19 | -179.8 | -51.5 | -159 | 135 | 0 | 0 | 112.9 | A257 A258 S262 Q263 K277 | A257-E260 PolarHBondContact O-N 2.92Å; A258-E260 PolarHBondContact O-N 3.2Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.96Å; E260-Q263 WeakPolarHBondContact O-CG 3.49Å; E260-K277 IonicContact OE1-NZ 2.67Å; E260-K277 PolarHBondContact OE1-NZ 3.37Å |
| 261 | N | 44.5 | Very low | 56.9 | Low | 157 Ų | 157 | 101.8 Ų | 101.8 | 84% | 0.84 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -83.9 | 5.6 | 175.8 | -73.9 | -14.9 | 0 | 0 | 0 | 114.5 | A258 S259 | A258-N261 PolarHBondContact O-N 3.49Å; S259-N261 PolarHBondContact O-N 2.65Å |
| 262 | S | 49.8 | Very low | 58.3 | Low | 89 Ų | 89 | 103.2 Ų | 103.2 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -118 | 27.8 | 176.5 | -156.3 | 0 | 0 | 0 | 0 | 112.9 | S259 E260 D264 | S259-S262 PolarHBondContact O-N 3.07Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.96Å; S262-D264 PolarHBondContact O-N 3.42Å |
| 263 | Q | 56.2 | Low | 59.7 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | trans | -74.3 | 40.4 | 174.5 | -76.5 | -86.3 | -48.4 | 0 | 0 | 112.9 | E260 A265 | E260-Q263 WeakPolarHBondContact O-CG 3.49Å; Q263-A265 PolarHBondContact O-N 3.03Å | ||
| 264 | D | 50.2 | Low | 61 | Low | 148 Ų | 148 | 100.1 Ų | 100.1 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | trans | -75.5 | 128.6 | -174 | -143.7 | -11.6 | 0 | 0 | 0 | 111.8 | S262 L266 | S262-D264 PolarHBondContact O-N 3.42Å; D264-L266 PolarHBondContact O-N 3.17Å; D264-L266 VanDerWaalsContact O-N 3.07Å | ||
| 265 | A | 56.6 | Low | 62 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 60 | -5.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | Q263 | Q263-A265 PolarHBondContact O-N 3.03Š|
| 266 | L | 63 | Low | 63.1 | Low | 111 Ų | 111 | 99.4 Ų | 99.4 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | trans | -122.9 | 90 | -176.2 | -68.5 | 177.7 | 0 | 0 | 0 | 115.1 | D264 | D264-L266 PolarHBondContact O-N 3.17Å; D264-L266 VanDerWaalsContact O-N 3.07Å | ||
| 267 | R | 69.2 | Low | 64.5 | Low | 169 Ų | 169 | 98.3 Ų | 98.3 | 64% | 0.638 | 56% | 0.562 | S | S | * | * | trans | -97.2 | 108 | 172.5 | -44.7 | -168.6 | 88.6 | -114.4 | -4.3 | 110.3 | Q275 | R267-Q275 VanDerWaalsContact NH1-OE1 3.14Š| ||
| 268 | V | 75 | Confident | 66.5 | Low | 51 Ų | 51 | 96.7 Ų | 96.7 | 31% | 0.309 | 55% | 0.547 | S | S | . | . | trans | -84.1 | 129 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | M276 V278 L289 | V268-M276 PolarHBondContact O-N 3.22Å; V268-V278 HydrophobicContact CB-CG1 3.89Å; V268-V278 HydrophobicContact CG1-CG1 4.41Å; V268-V278 HydrophobicContact CG2-CG1 3.7Å; V268-V278 HydrophobicContact CG2-CG2 4.46Å; V268-L289 HydrophobicContact CG1-CD2 4.22Å | ||
| 269 | V | 80.2 | Confident | 68.7 | Low | 79 Ų | 79 | 96.5 Ų | 96.5 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | B | Isolated β-bridge | trans | -122.7 | 132.9 | -176.8 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | G273 E274 | V269-G273 VanDerWaalsContact CG1-C 3.45Å; V269-G273 WeakPolarHBondContact CG1-O 3.49Å; V269-E274 CarbonylContact C-O 3.57Å; V269-E274 WeakPolarHBondContact CA-O 3.44Å |
| 270 | S | 76.4 | Confident | 70.7 | Confident | 29 Ų | 29 | 98.7 Ų | 98.7 | 20% | 0.203 | 53% | 0.534 | C | S | . | . | trans | -64.7 | 162.2 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | S272 G273 E274 | S270-S272 VanDerWaalsContact CB-OG 3.22Å; S270-S272 WeakPolarHBondContact CB-OG 3.36Å; S270-S272 PolarHBondContact O-N 2.86Å; S270-S272 VanDerWaalsContact O-N 3.15Å; S270-S272 PolarHBondContact OG-N 3.32Å; S270-S272 PolarHBondContact OG-OG 3.43Å; S270-G273 PolarHBondContact O-N 3.41Å; S270-E274 WeakPolarHBondContact CB-O 3.41Å; S270-E274 PolarHBondContact N-O 3.01Å | ||
| 271 | T | 75.1 | Confident | 72.8 | Confident | 157 Ų | 157 | 94 Ų | 94 | 96% | 0.963 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.1 | 167.5 | 51 | 0 | 0 | 0 | 0 | 112.9 | G273 | T271-G273 VanDerWaalsContact C-N 3.32Š|
| 272 | S | 78.1 | Confident | 74.9 | Confident | 70 Ų | 70 | 93.5 Ų | 93.5 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.8 | 170.2 | 55.3 | 0 | 0 | 0 | 0 | 114.8 | S270 E274 | S270-S272 VanDerWaalsContact CB-OG 3.22Å; S270-S272 WeakPolarHBondContact CB-OG 3.36Å; S270-S272 PolarHBondContact O-N 2.86Å; S270-S272 VanDerWaalsContact O-N 3.15Å; S270-S272 PolarHBondContact OG-N 3.32Å; S270-S272 PolarHBondContact OG-OG 3.43Å; S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.48Å; S272-E274 PolarHBondContact OG-OE2 3.09Å |
| 273 | G | 75.3 | Confident | 76.9 | Confident | 53 Ų | 53 | 93.2 Ų | 93.2 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 81.4 | -1.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V269 S270 T271 | V269-G273 VanDerWaalsContact CG1-C 3.45Å; V269-G273 WeakPolarHBondContact CG1-O 3.49Å; S270-G273 PolarHBondContact O-N 3.41Å; T271-G273 VanDerWaalsContact C-N 3.32Å |
| 274 | E | 77.2 | Confident | 78.5 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 145.5 | 179.4 | -64.9 | 169.5 | 117.5 | 0 | 0 | 112.2 | V269 S270 S272 | V269-E274 CarbonylContact C-O 3.57Å; V269-E274 WeakPolarHBondContact CA-O 3.44Å; S270-E274 WeakPolarHBondContact CB-O 3.41Å; S270-E274 PolarHBondContact N-O 3.01Å; S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.48Å; S272-E274 PolarHBondContact OG-OE2 3.09Å |
| 275 | Q | 76.1 | Confident | 80.4 | Confident | 131 Ų | 131 | 88.9 Ų | 88.9 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | B | Isolated β-bridge | trans | -85.4 | 117.7 | -177.8 | -60.6 | 171.8 | 25.8 | 0 | 0 | 110 | R267 | R267-Q275 VanDerWaalsContact NH1-OE1 3.14Å |
| 276 | M | 78.8 | Confident | 81.9 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 134.1 | 178 | -76.1 | -173.1 | 167.7 | 0 | 0 | 111.2 | V268 V278 L289 | V268-M276 PolarHBondContact O-N 3.22Å; M276-V278 PolarHBondContact O-N 3.4Å; M276-L289 HydrophobicContact CB-CD2 4.19Å; M276-L289 HydrophobicContact SD-CD1 4.27Å; M276-L289 HydrophobicContact SD-CD2 3.95Å |
| 277 | K | 82.4 | Confident | 83.3 | Confident | 106 Ų | 106 | 85.4 Ų | 85.4 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | trans | -72.9 | 112.2 | 170.8 | -173.4 | 163.3 | -170.5 | 160 | 0 | 109.2 | E260 Y279 | E260-K277 IonicContact OE1-NZ 2.67Å; E260-K277 PolarHBondContact OE1-NZ 3.37Å; K277-Y279 HydrophobicContact CD-CE1 4.32Å; K277-Y279 HydrophobicContact CG-CE1 4.26Å | ||
| 278 | V | 88.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | trans | -92.1 | 142.2 | 173.8 | -81.5 | 0 | 0 | 0 | 0 | 111.7 | V268 M276 F288 L289 | V268-V278 HydrophobicContact CB-CG1 3.89Å; V268-V278 HydrophobicContact CG1-CG1 4.41Å; V268-V278 HydrophobicContact CG2-CG1 3.7Å; V268-V278 HydrophobicContact CG2-CG2 4.46Å; M276-V278 PolarHBondContact O-N 3.4Å; V278-F288 WeakPolarHBondContact CA-O 3.46Å; V278-L289 HydrophobicContact CG1-CD2 3.85Å | ||
| 279 | Y | 91 | Very high | 85.1 | Confident | 58 Ų | 58 | 82 Ų | 82 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.9 | 172.6 | -53.7 | -82 | 0 | 0 | 0 | 108.8 | K277 L287 F288 H291 Y294 | K277-Y279 HydrophobicContact CD-CE1 4.32Å; K277-Y279 HydrophobicContact CG-CE1 4.26Å; Y279-L287 CarbonylContact O-C 3.56Å; Y279-L287 WeakPolarHBondContact O-CA 3.31Å; Y279-F288 PolarHBondContact N-O 3.01Å; Y279-F288 PolarHBondContact O-N 2.83Å; Y279-H291 AromaticContact CD1-CD2 3.99Å; Y279-H291 HydrophobicContact CD2-CB 4.35Å; Y279-H291 HydrophobicContact CE1-CB 4.36Å; Y279-H291 AromaticContact CE1-CD2 3.63Å; Y279-H291 HydrophobicContact CE2-CB 3.88Å; Y279-Y294 HydrophobicContact CG-CD1 4.44Å; Y279-Y294 HydrophobicContact CG-CG 4.33Å |
| 280 | K | 91.5 | Very high | 85.7 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.1 | -173.2 | 175.8 | -177.8 | 168.2 | -165.8 | 0 | 109.5 | E282 L287 Y294 | K280-E282 PolarHBondContact O-N 3.21Å; K280-L287 HydrophobicContact CB-CD2 3.7Å; K280-L287 HydrophobicContact CD-CD2 4.4Å; K280-L287 HydrophobicContact CG-CD2 3.87Å; K280-Y294 WeakPolarHBondContact O-CE2 3.25Å |
| 281 | C | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 42% | 0.424 | C | S | . | . | trans | -67.3 | 128.1 | 166.3 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | H283 C284 R285 V286 F288 H297 M298 H301 | C281-H283 PolarHBondContact SG-N 3.37Å; C281-H283 VanDerWaalsContact SG-N 3.43Å; C281-C284 PolarHBondContact SG-N 2.87Å; C281-C284 PolarHBondContact SG-SG 3.06Å; C281-R285 WeakPolarHBondContact O-CA 3.44Å; C281-R285 PolarHBondContact O-N 3.42Å; C281-R285 VanDerWaalsContact O-N 3.09Å; C281-V286 PolarHBondContact N-O 3.4Å; C281-F288 HydrophobicContact CB-CE2 4.36Å; C281-H297 VanDerWaalsContact CB-NE2 3.33Å; C281-H297 WeakPolarHBondContact CB-NE2 3.3Å; C281-H297 PolarHBondContact SG-NE2 2.81Å; C281-M298 HydrophobicContact CB-CE 3.68Å; C281-M298 WeakPolarHBondContact SG-CE 3.32Å; C281-H301 PolarHBondContact SG-NE2 2.85Å; C281-H301 VanDerWaalsContact SG-NE2 3.41Å | ||
| 282 | E | 90 | Very high | 87.2 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 69% | 0.692 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -36.9 | 178.4 | -58.1 | -158 | 135.7 | 0 | 0 | 112 | K280 | K280-E282 PolarHBondContact O-N 3.21Š|
| 283 | H | 90.1 | Very high | 87.9 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 38% | 0.384 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -58.9 | -176.1 | -49.2 | -54.9 | 0 | 0 | 0 | 112.9 | C281 H301 P306 | C281-H283 PolarHBondContact SG-N 3.37Å; C281-H283 VanDerWaalsContact SG-N 3.43Å; H283-H301 AromaticContact CD2-CD2 3.73Å; H283-H301 AromaticContact CD2-CG 3.9Å; H283-H301 AromaticContact CD2-NE2 3.89Å; H283-P306 HydrophobicContact CB-CB 3.84Å |
| 284 | C | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.1 | -177.8 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | C281 V286 H297 R319 | C281-C284 PolarHBondContact SG-N 2.87Å; C281-C284 PolarHBondContact SG-SG 3.06Å; C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.47Å; C284-V286 VanDerWaalsContact SG-CG2 3.5Å; C284-H297 VanDerWaalsContact SG-CE1 3.51Å; C284-H297 PolarHBondContact SG-NE2 2.98Å; C284-R319 HydrophobicContact CB-CB 3.89Å; C284-R319 PolarHBondContact O-NH1 2.72Å |
| 285 | R | 90 | Very high | 89.6 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 65% | 0.653 | 38% | 0.378 | S | S | * | . | trans | 64.4 | 22.4 | 177.2 | -49.9 | 179.7 | -175.2 | 175.7 | 1.7 | 115.3 | C281 | C281-R285 WeakPolarHBondContact O-CA 3.44Å; C281-R285 PolarHBondContact O-N 3.42Å; C281-R285 VanDerWaalsContact O-N 3.09Å | ||
| 286 | V | 89.9 | Confident | 90.4 | Very high | 48 Ų | 48 | 77.6 Ų | 77.6 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | trans | -73.6 | 144.4 | 169.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | C281 C284 F288 | C281-V286 PolarHBondContact N-O 3.4Å; C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.47Å; C284-V286 VanDerWaalsContact SG-CG2 3.5Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD2 4.27Å; V286-F288 HydrophobicContact CG1-CE1 4.2Å; V286-F288 HydrophobicContact CG1-CE2 3.54Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å | ||
| 287 | L | 91.9 | Very high | 91.1 | Very high | 81 Ų | 81 | 74 Ų | 74 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.1 | 177.2 | -61.2 | 177.9 | 0 | 0 | 0 | 110.5 | Y279 K280 | Y279-L287 CarbonylContact O-C 3.56Å; Y279-L287 WeakPolarHBondContact O-CA 3.31Å; K280-L287 HydrophobicContact CB-CD2 3.7Å; K280-L287 HydrophobicContact CD-CD2 4.4Å; K280-L287 HydrophobicContact CG-CD2 3.87Å |
| 288 | F | 91.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.4 | 178.8 | -59.7 | -93.4 | 0 | 0 | 0 | 109.9 | V278 Y279 C281 V286 M293 Y294 H297 | V278-F288 WeakPolarHBondContact CA-O 3.46Å; Y279-F288 PolarHBondContact N-O 3.01Å; Y279-F288 PolarHBondContact O-N 2.83Å; C281-F288 HydrophobicContact CB-CE2 4.36Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD2 4.27Å; V286-F288 HydrophobicContact CG1-CE1 4.2Å; V286-F288 HydrophobicContact CG1-CE2 3.54Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å; F288-M293 HydrophobicContact CD1-CB 3.94Å; F288-Y294 HydrophobicContact CD2-CD2 4.03Å; F288-H297 HydrophobicContact CE1-CB 4.06Å; F288-H297 HydrophobicContact CE2-CB 4.27Å; F288-H297 AromaticContact CE2-CD2 3.21Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.31Å; F288-H297 AromaticContact CE2-CG 3.83Å; F288-H297 AromaticContact CE2-NE2 3.8Å; F288-H297 HydrophobicContact CZ-CB 3.67Å; F288-H297 AromaticContact CZ-CD2 3.25Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.33Å; F288-H297 AromaticContact CZ-CG 3.36Å; F288-H297 AromaticContact CZ-NE2 3.85Å |
| 289 | L | 91.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 72.4 Ų | 72.4 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -86 | -20.5 | 172.8 | -62.7 | 173 | 0 | 0 | 0 | 112.3 | V268 M276 V278 | V268-L289 HydrophobicContact CG1-CD2 4.22Å; M276-L289 HydrophobicContact CB-CD2 4.19Å; M276-L289 HydrophobicContact SD-CD1 4.27Å; M276-L289 HydrophobicContact SD-CD2 3.95Å; V278-L289 HydrophobicContact CG1-CD2 3.85Å |
| 290 | D | 91.4 | Very high | 91.9 | Very high | 67 Ų | 67 | 70 Ų | 70 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | trans | -111.4 | 134.2 | -180 | 170.9 | 33.7 | 0 | 0 | 0 | 111.1 | V292 M293 Y294 | D290-V292 VanDerWaalsContact C-N 3.33Å; D290-V292 VanDerWaalsContact CG-N 3.32Å; D290-V292 PolarHBondContact OD1-N 3.07Å; D290-V292 WeakPolarHBondContact OD2-CB 3.46Å; D290-V292 PolarHBondContact OD2-N 2.88Å; D290-M293 HydrophobicContact CB-CB 4.26Å; D290-M293 HydrophobicContact CB-CG 4.19Å; D290-M293 WeakPolarHBondContact OD2-CG 3.42Å; D290-M293 PolarHBondContact OD2-N 2.8Å; D290-Y294 WeakPolarHBondContact O-CB 3.39Å; D290-Y294 PolarHBondContact O-N 3.1Å; D290-Y294 VanDerWaalsContact O-N 3.08Å | ||
| 291 | H | 90.3 | Very high | 92 | Very high | 83 Ų | 83 | 65 Ų | 65 | 38% | 0.384 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 175.4 | -174.2 | -84.6 | 0 | 0 | 0 | 112 | Y279 Y294 T295 | Y279-H291 AromaticContact CD1-CD2 3.99Å; Y279-H291 HydrophobicContact CD2-CB 4.35Å; Y279-H291 HydrophobicContact CE1-CB 4.36Å; Y279-H291 AromaticContact CE1-CD2 3.63Å; Y279-H291 HydrophobicContact CE2-CB 3.88Å; H291-Y294 PolarHBondContact O-N 3.5Å; H291-T295 PolarHBondContact CE1-OG1 3.08Å; H291-T295 VanDerWaalsContact CE1-OG1 3.3Å; H291-T295 PolarHBondContact ND1-OG1 2.72Å; H291-T295 WeakPolarHBondContact O-CB 3.34Å; H291-T295 PolarHBondContact O-N 2.8Å; H291-T295 PolarHBondContact O-OG1 2.98Å |
| 292 | V | 93.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.8 | -48.3 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | D290 Y294 T295 I296 | D290-V292 VanDerWaalsContact C-N 3.33Å; D290-V292 VanDerWaalsContact CG-N 3.32Å; D290-V292 PolarHBondContact OD1-N 3.07Å; D290-V292 WeakPolarHBondContact OD2-CB 3.46Å; D290-V292 PolarHBondContact OD2-N 2.88Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 3Å; V292-T295 PolarHBondContact O-N 3.26Å; V292-T295 VanDerWaalsContact O-N 3.17Å; V292-I296 HydrophobicContact CG1-CD1 3.96Å; V292-I296 WeakPolarHBondContact O-CG1 3.38Å; V292-I296 PolarHBondContact O-N 3.21Å |
| 293 | M | 93.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 67.5 Ų | 67.5 | 49% | 0.488 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 171.9 | -68.3 | -54.9 | 101.7 | 0 | 0 | 112.7 | F288 D290 I296 H297 | F288-M293 HydrophobicContact CD1-CB 3.94Å; D290-M293 HydrophobicContact CB-CB 4.26Å; D290-M293 HydrophobicContact CB-CG 4.19Å; D290-M293 WeakPolarHBondContact OD2-CG 3.42Å; D290-M293 PolarHBondContact OD2-N 2.8Å; M293-I296 HydrophobicContact CE-CD1 3.87Å; M293-I296 PolarHBondContact O-N 3.42Å; M293-H297 VanDerWaalsContact O-CB 3.29Å; M293-H297 WeakPolarHBondContact O-CB 3.45Å; M293-H297 PolarHBondContact O-N 2.81Å |
| 294 | Y | 94.3 | Very high | 91.5 | Very high | 55 Ų | 55 | 74.2 Ų | 74.2 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.1 | 171.1 | -106 | 0 | 0 | 0 | 112.4 | Y279 K280 F288 D290 H291 V292 H297 M298 | Y279-Y294 HydrophobicContact CG-CD1 4.44Å; Y279-Y294 HydrophobicContact CG-CG 4.33Å; K280-Y294 WeakPolarHBondContact O-CE2 3.25Å; F288-Y294 HydrophobicContact CD2-CD2 4.03Å; D290-Y294 WeakPolarHBondContact O-CB 3.39Å; D290-Y294 PolarHBondContact O-N 3.1Å; D290-Y294 VanDerWaalsContact O-N 3.08Å; H291-Y294 PolarHBondContact O-N 3.5Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 3Å; Y294-H297 PolarHBondContact O-N 3.42Å; Y294-M298 HydrophobicContact CD1-CG 4.47Å; Y294-M298 HydrophobicContact CD2-CG 4.34Å; Y294-M298 HydrophobicContact CE1-CG 4.07Å; Y294-M298 HydrophobicContact CE2-CE 4.14Å; Y294-M298 HydrophobicContact CE2-CG 3.92Å; Y294-M298 HydrophobicContact CE2-SD 4.04Å; Y294-M298 WeakPolarHBondContact O-CG 3.15Å; Y294-M298 PolarHBondContact O-N 2.99Å |
| 295 | T | 93.6 | Very high | 91.4 | Very high | 72 Ų | 72 | 77 Ų | 77 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | H291 V292 M298 G299 | H291-T295 PolarHBondContact CE1-OG1 3.08Å; H291-T295 VanDerWaalsContact CE1-OG1 3.3Å; H291-T295 PolarHBondContact ND1-OG1 2.72Å; H291-T295 WeakPolarHBondContact O-CB 3.34Å; H291-T295 PolarHBondContact O-N 2.8Å; H291-T295 PolarHBondContact O-OG1 2.98Å; V292-T295 PolarHBondContact O-N 3.26Å; V292-T295 VanDerWaalsContact O-N 3.17Å; T295-M298 PolarHBondContact O-N 3.39Å; T295-G299 PolarHBondContact O-N 2.69Å |
| 296 | I | 92.9 | Very high | 91.5 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.8 | -69.7 | 168.2 | 0 | 0 | 0 | 110.2 | V292 M293 M298 G299 C300 | V292-I296 HydrophobicContact CG1-CD1 3.96Å; V292-I296 WeakPolarHBondContact O-CG1 3.38Å; V292-I296 PolarHBondContact O-N 3.21Å; M293-I296 HydrophobicContact CE-CD1 3.87Å; M293-I296 PolarHBondContact O-N 3.42Å; I296-M298 PolarHBondContact O-N 3.14Å; I296-G299 CarbonylContact O-C 3.57Å; I296-G299 WeakPolarHBondContact O-CA 3.39Å; I296-G299 PolarHBondContact O-N 2.94Å; I296-C300 PolarHBondContact O-N 3.22Å; I296-C300 PolarHBondContact O-SG 3.21Å; I296-C300 VanDerWaalsContact O-SG 3.4Å |
| 297 | H | 92.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 177.2 | 169.9 | 60.4 | 0 | 0 | 0 | 113 | C281 C284 F288 M293 Y294 G299 C300 H301 | C281-H297 VanDerWaalsContact CB-NE2 3.33Å; C281-H297 WeakPolarHBondContact CB-NE2 3.3Å; C281-H297 PolarHBondContact SG-NE2 2.81Å; C284-H297 VanDerWaalsContact SG-CE1 3.51Å; C284-H297 PolarHBondContact SG-NE2 2.98Å; F288-H297 HydrophobicContact CE1-CB 4.06Å; F288-H297 HydrophobicContact CE2-CB 4.27Å; F288-H297 AromaticContact CE2-CD2 3.21Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.31Å; F288-H297 AromaticContact CE2-CG 3.83Å; F288-H297 AromaticContact CE2-NE2 3.8Å; F288-H297 HydrophobicContact CZ-CB 3.67Å; F288-H297 AromaticContact CZ-CD2 3.25Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.33Å; F288-H297 AromaticContact CZ-CG 3.36Å; F288-H297 AromaticContact CZ-NE2 3.85Å; M293-H297 VanDerWaalsContact O-CB 3.29Å; M293-H297 WeakPolarHBondContact O-CB 3.45Å; M293-H297 PolarHBondContact O-N 2.81Å; Y294-H297 PolarHBondContact O-N 3.42Å; H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.34Å; H297-C300 WeakPolarHBondContact O-CB 3.22Å; H297-C300 PolarHBondContact O-N 3.32Å; H297-C300 VanDerWaalsContact O-N 3.09Å; H297-H301 AromaticContact CE1-NE2 3.37Å; H297-H301 PolarHBondContact CE1-NE2 3.38Å; H297-H301 AromaticContact NE2-NE2 3.41Å; H297-H301 PolarHBondContact NE2-NE2 3.49Å; H297-H301 PolarHBondContact O-CD2 3.29Å |
| 298 | M | 93.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 69.7 Ų | 69.7 | 26% | 0.256 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 170.3 | -69.8 | -65.9 | 93.7 | 0 | 0 | 111.9 | C281 Y294 T295 I296 C300 H301 | C281-M298 HydrophobicContact CB-CE 3.68Å; C281-M298 WeakPolarHBondContact SG-CE 3.32Å; Y294-M298 HydrophobicContact CD1-CG 4.47Å; Y294-M298 HydrophobicContact CD2-CG 4.34Å; Y294-M298 HydrophobicContact CE1-CG 4.07Å; Y294-M298 HydrophobicContact CE2-CE 4.14Å; Y294-M298 HydrophobicContact CE2-CG 3.92Å; Y294-M298 HydrophobicContact CE2-SD 4.04Å; Y294-M298 WeakPolarHBondContact O-CG 3.15Å; Y294-M298 PolarHBondContact O-N 2.99Å; T295-M298 PolarHBondContact O-N 3.39Å; I296-M298 PolarHBondContact O-N 3.14Å; M298-C300 PolarHBondContact O-N 3.41Å; M298-H301 PolarHBondContact O-N 3.35Å |
| 299 | G | 92.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 67.9 Ų | 67.9 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.5 | -13.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T295 I296 H297 N310 | T295-G299 PolarHBondContact O-N 2.69Å; I296-G299 CarbonylContact O-C 3.57Å; I296-G299 WeakPolarHBondContact O-CA 3.39Å; I296-G299 PolarHBondContact O-N 2.94Å; H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.34Å; G299-N310 PolarHBondContact O-ND2 2.86Å |
| 300 | C | 92.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81.2 | -23.8 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | I296 H297 M298 N310 F322 I326 | I296-C300 PolarHBondContact O-N 3.22Å; I296-C300 PolarHBondContact O-SG 3.21Å; I296-C300 VanDerWaalsContact O-SG 3.4Å; H297-C300 WeakPolarHBondContact O-CB 3.22Å; H297-C300 PolarHBondContact O-N 3.32Å; H297-C300 VanDerWaalsContact O-N 3.09Å; M298-C300 PolarHBondContact O-N 3.41Å; C300-N310 WeakPolarHBondContact O-CB 3.49Å; C300-N310 PolarHBondContact O-N 3.25Å; C300-F322 HydrophobicContact CB-CZ 4.37Å; C300-I326 HydrophobicContact CB-CD1 3.72Å; C300-I326 HydrophobicContact CB-CG1 4.25Å |
| 301 | H | 93.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 138.5 | 176.9 | -69.3 | -71 | 0 | 0 | 0 | 110.9 | C281 H283 H297 M298 P306 F322 | C281-H301 PolarHBondContact SG-NE2 2.85Å; C281-H301 VanDerWaalsContact SG-NE2 3.41Å; H283-H301 AromaticContact CD2-CD2 3.73Å; H283-H301 AromaticContact CD2-CG 3.9Å; H283-H301 AromaticContact CD2-NE2 3.89Å; H297-H301 AromaticContact CE1-NE2 3.37Å; H297-H301 PolarHBondContact CE1-NE2 3.38Å; H297-H301 AromaticContact NE2-NE2 3.41Å; H297-H301 PolarHBondContact NE2-NE2 3.49Å; H297-H301 PolarHBondContact O-CD2 3.29Å; M298-H301 PolarHBondContact O-N 3.35Å; H301-P306 PolarHBondContact ND1-O 3.46Å; H301-F322 AromaticContact CE1-CD1 3.84Å; H301-F322 AromaticContact CE1-CE1 3.22Å; H301-F322 WeakPolarHBondContact CE1-CE1 3.46Å; H301-F322 AromaticContact CE1-CZ 3.66Å; H301-F322 AromaticContact CG-CZ 3.95Å; H301-F322 AromaticContact ND1-CE1 3.42Å; H301-F322 WeakPolarHBondContact ND1-CE1 3.45Å; H301-F322 AromaticContact ND1-CZ 3.31Å; H301-F322 VanDerWaalsContact ND1-CZ 3.31Å; H301-F322 WeakPolarHBondContact ND1-CZ 3.33Å; H301-F322 AromaticContact NE2-CE1 3.92Å |
| 302 | G | 90.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | trans | -68 | 143.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R304 D305 E308 | G302-R304 PolarHBondContact O-N 3.26Å; G302-R304 VanDerWaalsContact O-N 3.12Å; G302-D305 WeakPolarHBondContact CA-O 3.32Å; G302-D305 PolarHBondContact N-O 3.39Å; G302-E308 WeakPolarHBondContact CA-O 3.32Å; G302-E308 PolarHBondContact N-O 3.15Å | ||
| 303 | F | 86.6 | Confident | 91.4 | Very high | 190 Ų | 190 | 62.4 Ų | 62.4 | 83% | 0.833 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -64.7 | -13.7 | 177.9 | -59.3 | -80.4 | 0 | 0 | 0 | 114.2 | N310 | F303-N310 WeakPolarHBondContact CE2-OD1 3.34Š|
| 304 | R | 86.1 | Confident | 91.2 | Very high | 223 Ų | 223 | 62.2 Ų | 62.2 | 84% | 0.842 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -115.1 | -35.5 | -176 | -58.3 | -174.9 | 71.9 | -102.5 | -0.9 | 113 | G302 | G302-R304 PolarHBondContact O-N 3.26Å; G302-R304 VanDerWaalsContact O-N 3.12Å |
| 305 | D | 88.6 | Confident | 91.2 | Very high | 59 Ų | 59 | 64.6 Ų | 64.6 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | trans | -137.1 | 123.4 | 175.5 | -177.7 | -9.5 | 0 | 0 | 0 | 109 | G302 F307 E308 | G302-D305 WeakPolarHBondContact CA-O 3.32Å; G302-D305 PolarHBondContact N-O 3.39Å; D305-F307 PolarHBondContact O-N 3.13Å; D305-F307 VanDerWaalsContact O-N 3.11Å; D305-F307 PolarHBondContact OD1-N 3.41Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 WeakPolarHBondContact O-CB 3.5Å; D305-E308 PolarHBondContact O-N 3.46Å | ||
| 306 | P | 90.6 | Very high | 91.1 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.7 | 173.7 | -25.6 | 35.4 | 0 | 0 | 0 | 115.3 | H283 H301 | H283-P306 HydrophobicContact CB-CB 3.84Å; H301-P306 PolarHBondContact ND1-O 3.46Å |
| 307 | F | 92.2 | Very high | 90.9 | Very high | 59 Ų | 59 | 65.8 Ų | 65.8 | 26% | 0.259 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.3 | 177 | -56.2 | -67.1 | 0 | 0 | 0 | 113.8 | D305 S316 R319 F322 | D305-F307 PolarHBondContact O-N 3.13Å; D305-F307 VanDerWaalsContact O-N 3.11Å; D305-F307 PolarHBondContact OD1-N 3.41Å; F307-S316 VanDerWaalsContact CB-O 3.32Å; F307-S316 WeakPolarHBondContact CB-O 3.43Å; F307-S316 PolarHBondContact O-N 2.79Å; F307-R319 HydrophobicContact CE1-CB 3.79Å; F307-R319 HydrophobicContact CZ-CB 4.43Å; F307-F322 HydrophobicContact CD1-CB 4.19Å |
| 308 | E | 93.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 128.6 | 162.4 | 179.2 | 177 | -149.8 | 0 | 0 | 109.8 | G302 D305 N310 H315 | G302-E308 WeakPolarHBondContact CA-O 3.32Å; G302-E308 PolarHBondContact N-O 3.15Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 WeakPolarHBondContact O-CB 3.5Å; D305-E308 PolarHBondContact O-N 3.46Å; E308-N310 PolarHBondContact O-N 3.39Å; E308-H315 VanDerWaalsContact CD-CE1 3.47Å; E308-H315 IonicContact OE1-CE1 3.83Å; E308-H315 PolarHBondContact OE1-CE1 3.02Å; E308-H315 IonicContact OE1-NE2 2.87Å |
| 309 | C | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 108.6 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | M311 C312 G313 Y314 F322 H325 | C309-M311 PolarHBondContact O-N 2.87Å; C309-C312 PolarHBondContact O-N 3.26Å; C309-C312 VanDerWaalsContact O-N 3.1Å; C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.43Å; C309-Y314 WeakPolarHBondContact CB-O 3.48Å; C309-Y314 PolarHBondContact N-O 2.92Å; C309-F322 HydrophobicContact CB-CE2 4.39Å; C309-H325 PolarHBondContact SG-NE2 2.82Å |
| 310 | N | 91.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 74.9 Ų | 74.9 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.1 | 179.9 | -171.5 | 35.9 | 0 | 0 | 0 | 113.8 | G299 C300 F303 E308 | G299-N310 PolarHBondContact O-ND2 2.86Å; C300-N310 WeakPolarHBondContact O-CB 3.49Å; C300-N310 PolarHBondContact O-N 3.25Å; F303-N310 WeakPolarHBondContact CE2-OD1 3.34Å; E308-N310 PolarHBondContact O-N 3.39Å |
| 311 | M | 88.4 | Confident | 90.5 | Very high | 83 Ų | 83 | 78.1 Ų | 78.1 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -28.4 | 179.9 | -63.5 | 178.8 | 62.2 | 0 | 0 | 113.9 | C309 F333 | C309-M311 PolarHBondContact O-N 2.87Å; M311-F333 WeakPolarHBondContact O-CD1 3.47Å; M311-F333 WeakPolarHBondContact O-CE1 3.43Å |
| 312 | C | 90.8 | Very high | 90.4 | Very high | 34 Ų | 34 | 77.6 Ų | 77.6 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.7 | 12.5 | -175 | 69.3 | 0 | 0 | 0 | 0 | 115.8 | C309 Y314 H325 H331 | C309-C312 PolarHBondContact O-N 3.26Å; C309-C312 VanDerWaalsContact O-N 3.1Å; C312-Y314 PolarHBondContact O-N 2.84Å; C312-Y314 VanDerWaalsContact O-N 3.14Å; C312-H325 VanDerWaalsContact SG-CE1 3.58Å; C312-H325 PolarHBondContact SG-NE2 2.73Å; C312-H325 VanDerWaalsContact SG-NE2 3.39Å; C312-H331 HydrophobicContact CB-CB 4.13Å |
| 313 | G | 88.8 | Confident | 90.4 | Very high | 40 Ų | 40 | 78.5 Ų | 78.5 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | trans | 66.6 | 10.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | C309 H315 | C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.43Å; G313-H315 PolarHBondContact O-N 2.72Å; G313-H315 PolarHBondContact O-ND1 3.15Å | ||
| 314 | Y | 90.5 | Very high | 90.6 | Very high | 94 Ų | 94 | 71.4 Ų | 71.4 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 116.2 | 179.4 | 176.4 | -106.3 | 0 | 0 | 0 | 110 | C309 C312 S316 E321 H325 | C309-Y314 WeakPolarHBondContact CB-O 3.48Å; C309-Y314 PolarHBondContact N-O 2.92Å; C312-Y314 PolarHBondContact O-N 2.84Å; C312-Y314 VanDerWaalsContact O-N 3.14Å; Y314-S316 WeakPolarHBondContact CE1-OG 3.31Å; Y314-E321 PolarHBondContact OH-OE1 2.82Å; Y314-H325 HydrophobicContact CD1-CB 4.13Å; Y314-H325 AromaticContact CD1-CD2 3.86Å; Y314-H325 AromaticContact CD1-CE1 3.75Å; Y314-H325 AromaticContact CD1-CG 3.54Å; Y314-H325 AromaticContact CD1-ND1 3.46Å; Y314-H325 WeakPolarHBondContact CD1-ND1 3.41Å; Y314-H325 HydrophobicContact CE1-CB 4.11Å; Y314-H325 AromaticContact CE1-CG 3.99Å; Y314-H325 AromaticContact CE1-ND1 3.97Å; Y314-H325 AromaticContact CG-CE1 3.98Å |
| 315 | H | 92.9 | Very high | 90.9 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -88.1 | 122.2 | 176.9 | -68.9 | 57.5 | 0 | 0 | 0 | 109.3 | E308 G313 | E308-H315 VanDerWaalsContact CD-CE1 3.47Å; E308-H315 IonicContact OE1-CE1 3.83Å; E308-H315 PolarHBondContact OE1-CE1 3.02Å; E308-H315 IonicContact OE1-NE2 2.87Å; G313-H315 PolarHBondContact O-N 2.72Å; G313-H315 PolarHBondContact O-ND1 3.15Å |
| 316 | S | 91.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 145.3 | 174.4 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | F307 Y314 F322 | F307-S316 VanDerWaalsContact CB-O 3.32Å; F307-S316 WeakPolarHBondContact CB-O 3.43Å; F307-S316 PolarHBondContact O-N 2.79Å; Y314-S316 WeakPolarHBondContact CE1-OG 3.31Å; S316-F322 WeakPolarHBondContact OG-CA 3.41Å; S316-F322 PolarHBondContact OG-N 2.9Å |
| 317 | Q | 90.4 | Very high | 90.9 | Very high | 186 Ų | 186 | 64.2 Ų | 64.2 | 87% | 0.869 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -83.4 | -23 | 177.5 | -174.6 | 158.3 | 72.7 | 0 | 0 | 112.7 | E321 | Q317-E321 PolarHBondContact N-OE2 3.14Š|
| 318 | D | 90.6 | Very high | 90.7 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -143.7 | 174.8 | 171.1 | 87.4 | 18.5 | 0 | 0 | 0 | 115 | Y320 E321 F322 | D318-Y320 VanDerWaalsContact C-N 3.32Å; D318-Y320 PolarHBondContact O-N 3.48Å; D318-Y320 WeakPolarHBondContact OD1-CA 3.45Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Y320 PolarHBondContact OD1-N 3.14Å; D318-E321 PolarHBondContact OD1-N 3.33Å; D318-F322 WeakPolarHBondContact O-CB 2.98Å; D318-F322 PolarHBondContact O-N 3.39Å |
| 319 | R | 89.3 | Confident | 90.2 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -25.6 | -178.5 | 74.1 | -177.9 | -168.6 | 106.4 | 1.5 | 114.8 | C284 F307 S323 | C284-R319 HydrophobicContact CB-CB 3.89Å; C284-R319 PolarHBondContact O-NH1 2.72Å; F307-R319 HydrophobicContact CE1-CB 3.79Å; F307-R319 HydrophobicContact CZ-CB 4.43Å; R319-S323 VanDerWaalsContact O-CB 3.31Å; R319-S323 WeakPolarHBondContact O-CB 3.35Å; R319-S323 PolarHBondContact O-N 3.16Å; R319-S323 VanDerWaalsContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.43Å |
| 320 | Y | 90.9 | Very high | 89.6 | Confident | 146 Ų | 146 | 74 Ų | 74 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -82.8 | -39.7 | 179.2 | -57.1 | -79.6 | 0 | 0 | 0 | 110.4 | D318 S323 S324 | D318-Y320 VanDerWaalsContact C-N 3.32Å; D318-Y320 PolarHBondContact O-N 3.48Å; D318-Y320 WeakPolarHBondContact OD1-CA 3.45Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Y320 PolarHBondContact OD1-N 3.14Å; Y320-S323 PolarHBondContact O-N 3.21Å; Y320-S324 VanDerWaalsContact O-CB 3.31Å; Y320-S324 WeakPolarHBondContact O-CB 3.35Å; Y320-S324 PolarHBondContact O-N 3.03Å |
| 321 | E | 91.7 | Very high | 89.3 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 170.2 | -174.5 | 173.2 | -131.5 | 0 | 0 | 110.6 | Y314 Q317 D318 S323 S324 H325 | Y314-E321 PolarHBondContact OH-OE1 2.82Å; Q317-E321 PolarHBondContact N-OE2 3.14Å; D318-E321 PolarHBondContact OD1-N 3.33Å; E321-S323 PolarHBondContact O-N 3.2Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.18Å; E321-H325 WeakPolarHBondContact O-CB 3.13Å; E321-H325 PolarHBondContact O-N 3.16Å |
| 322 | F | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 173 | -175 | -90.9 | 0 | 0 | 0 | 112.1 | C300 H301 F307 C309 S316 D318 S324 H325 I326 | C300-F322 HydrophobicContact CB-CZ 4.37Å; H301-F322 AromaticContact CE1-CD1 3.84Å; H301-F322 AromaticContact CE1-CE1 3.22Å; H301-F322 WeakPolarHBondContact CE1-CE1 3.46Å; H301-F322 AromaticContact CE1-CZ 3.66Å; H301-F322 AromaticContact CG-CZ 3.95Å; H301-F322 AromaticContact ND1-CE1 3.42Å; H301-F322 WeakPolarHBondContact ND1-CE1 3.45Å; H301-F322 AromaticContact ND1-CZ 3.31Å; H301-F322 VanDerWaalsContact ND1-CZ 3.31Å; H301-F322 WeakPolarHBondContact ND1-CZ 3.33Å; H301-F322 AromaticContact NE2-CE1 3.92Å; F307-F322 HydrophobicContact CD1-CB 4.19Å; C309-F322 HydrophobicContact CB-CE2 4.39Å; S316-F322 WeakPolarHBondContact OG-CA 3.41Å; S316-F322 PolarHBondContact OG-N 2.9Å; D318-F322 WeakPolarHBondContact O-CB 2.98Å; D318-F322 PolarHBondContact O-N 3.39Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.08Å; F322-H325 PolarHBondContact O-N 3.01Å; F322-I326 HydrophobicContact CD1-CG1 4.06Å; F322-I326 HydrophobicContact CE1-CD1 4.37Å; F322-I326 HydrophobicContact CE1-CG1 3.62Å; F322-I326 HydrophobicContact CE2-CD1 4.43Å; F322-I326 HydrophobicContact CE2-CG1 4.38Å; F322-I326 HydrophobicContact CZ-CD1 4.05Å; F322-I326 HydrophobicContact CZ-CG1 3.8Å; F322-I326 WeakPolarHBondContact O-CG1 3.21Å; F322-I326 PolarHBondContact O-N 3.33Å |
| 323 | S | 90.3 | Very high | 87.1 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 20% | 0.203 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | R319 Y320 E321 T327 | R319-S323 VanDerWaalsContact O-CB 3.31Å; R319-S323 WeakPolarHBondContact O-CB 3.35Å; R319-S323 PolarHBondContact O-N 3.16Å; R319-S323 VanDerWaalsContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.43Å; Y320-S323 PolarHBondContact O-N 3.21Å; E321-S323 PolarHBondContact O-N 3.2Å; S323-T327 WeakPolarHBondContact O-CB 3.46Å; S323-T327 VanDerWaalsContact O-CG2 3.3Å; S323-T327 WeakPolarHBondContact O-CG2 3.32Å; S323-T327 PolarHBondContact O-N 2.7Å; S323-T327 PolarHBondContact O-OG1 2.76Å |
| 324 | S | 90.6 | Very high | 85.5 | Confident | 42 Ų | 42 | 88.8 Ų | 88.8 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | Y320 E321 F322 T327 R328 | Y320-S324 VanDerWaalsContact O-CB 3.31Å; Y320-S324 WeakPolarHBondContact O-CB 3.35Å; Y320-S324 PolarHBondContact O-N 3.03Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.18Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.08Å; S324-T327 WeakPolarHBondContact CA-OG1 3.24Å; S324-T327 PolarHBondContact O-OG1 3.26Å; S324-R328 WeakPolarHBondContact O-CB 3.49Å; S324-R328 WeakPolarHBondContact O-CD 3.45Å; S324-R328 WeakPolarHBondContact O-CG 3.48Å; S324-R328 PolarHBondContact O-N 3.4Å; S324-R328 PolarHBondContact OG-NH1 3.17Å; S324-R328 VanDerWaalsContact OG-NH1 3.08Å |
| 325 | H | 91.4 | Very high | 83.3 | Confident | 18 Ų | 18 | 92 Ų | 92 | 8% | 0.083 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -51.6 | 177.8 | 176.2 | 72.1 | 0 | 0 | 0 | 111.6 | C309 C312 Y314 E321 F322 R328 G329 H331 | C309-H325 PolarHBondContact SG-NE2 2.82Å; C312-H325 VanDerWaalsContact SG-CE1 3.58Å; C312-H325 PolarHBondContact SG-NE2 2.73Å; C312-H325 VanDerWaalsContact SG-NE2 3.39Å; Y314-H325 HydrophobicContact CD1-CB 4.13Å; Y314-H325 AromaticContact CD1-CD2 3.86Å; Y314-H325 AromaticContact CD1-CE1 3.75Å; Y314-H325 AromaticContact CD1-CG 3.54Å; Y314-H325 AromaticContact CD1-ND1 3.46Å; Y314-H325 WeakPolarHBondContact CD1-ND1 3.41Å; Y314-H325 HydrophobicContact CE1-CB 4.11Å; Y314-H325 AromaticContact CE1-CG 3.99Å; Y314-H325 AromaticContact CE1-ND1 3.97Å; Y314-H325 AromaticContact CG-CE1 3.98Å; E321-H325 WeakPolarHBondContact O-CB 3.13Å; E321-H325 PolarHBondContact O-N 3.16Å; F322-H325 PolarHBondContact O-N 3.01Å; H325-R328 PolarHBondContact O-N 3.44Å; H325-G329 PolarHBondContact O-N 3.15Å; H325-G329 VanDerWaalsContact O-N 3.14Å; H325-H331 AromaticContact CD2-CE1 3.86Å; H325-H331 AromaticContact CE1-CE1 3.98Å; H325-H331 AromaticContact CE1-ND1 3.6Å; H325-H331 AromaticContact NE2-CE1 3.33Å; H325-H331 PolarHBondContact NE2-CE1 3.14Å; H325-H331 VanDerWaalsContact NE2-CE1 3.33Å; H325-H331 AromaticContact NE2-ND1 3.16Å; H325-H331 PolarHBondContact NE2-ND1 3.05Å; H325-H331 VanDerWaalsContact NE2-ND1 3.16Å |
| 326 | I | 90.3 | Very high | 80.8 | Confident | 36 Ų | 36 | 95.7 Ų | 95.7 | 19% | 0.185 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.6 | -59.6 | -55.3 | 0 | 0 | 0 | 111.9 | C300 F322 G329 | C300-I326 HydrophobicContact CB-CD1 3.72Å; C300-I326 HydrophobicContact CB-CG1 4.25Å; F322-I326 HydrophobicContact CD1-CG1 4.06Å; F322-I326 HydrophobicContact CE1-CD1 4.37Å; F322-I326 HydrophobicContact CE1-CG1 3.62Å; F322-I326 HydrophobicContact CE2-CD1 4.43Å; F322-I326 HydrophobicContact CE2-CG1 4.38Å; F322-I326 HydrophobicContact CZ-CD1 4.05Å; F322-I326 HydrophobicContact CZ-CG1 3.8Å; F322-I326 WeakPolarHBondContact O-CG1 3.21Å; F322-I326 PolarHBondContact O-N 3.33Å; I326-G329 PolarHBondContact O-N 3.46Å |
| 327 | T | 89.4 | Confident | 80.3 | Confident | 120 Ų | 120 | 100 Ų | 100 | 74% | 0.736 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.3 | -23.4 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | S323 S324 | S323-T327 WeakPolarHBondContact O-CB 3.46Å; S323-T327 VanDerWaalsContact O-CG2 3.3Å; S323-T327 WeakPolarHBondContact O-CG2 3.32Å; S323-T327 PolarHBondContact O-N 2.7Å; S323-T327 PolarHBondContact O-OG1 2.76Å; S324-T327 WeakPolarHBondContact CA-OG1 3.24Å; S324-T327 PolarHBondContact O-OG1 3.26Å |
| 328 | R | 89 | Confident | 79.7 | Confident | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -76.8 | -31 | 170.6 | -78.1 | 172.7 | 133.7 | 85.3 | 5.9 | 113.6 | S324 H325 E330 | S324-R328 WeakPolarHBondContact O-CB 3.49Å; S324-R328 WeakPolarHBondContact O-CD 3.45Å; S324-R328 WeakPolarHBondContact O-CG 3.48Å; S324-R328 PolarHBondContact O-N 3.4Å; S324-R328 PolarHBondContact OG-NH1 3.17Å; S324-R328 VanDerWaalsContact OG-NH1 3.08Å; H325-R328 PolarHBondContact O-N 3.44Å; R328-E330 HydrophobicContact CB-CB 4.38Å; R328-E330 HydrophobicContact CB-CG 4.04Å; R328-E330 VanDerWaalsContact CD-OE1 3.24Å; R328-E330 WeakPolarHBondContact CD-OE1 3.41Å; R328-E330 IonicContact NE-OE1 3.36Å; R328-E330 PolarHBondContact NE-OE1 2.97Å; R328-E330 PolarHBondContact O-N 3.09Å |
| 329 | G | 82.9 | Confident | 79.1 | Confident | 41 Ų | 41 | 96.7 Ų | 96.7 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 19.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | H325 I326 H331 | H325-G329 PolarHBondContact O-N 3.15Å; H325-G329 VanDerWaalsContact O-N 3.14Å; I326-G329 PolarHBondContact O-N 3.46Å; G329-H331 PolarHBondContact O-CD2 3.02Å; G329-H331 PolarHBondContact O-N 2.96Å |
| 330 | E | 79.7 | Confident | 78.5 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | trans | -76 | 52.4 | -176.8 | -75.7 | -177.3 | -115.6 | 0 | 0 | 112.4 | R328 R332 | R328-E330 HydrophobicContact CB-CB 4.38Å; R328-E330 HydrophobicContact CB-CG 4.04Å; R328-E330 VanDerWaalsContact CD-OE1 3.24Å; R328-E330 WeakPolarHBondContact CD-OE1 3.41Å; R328-E330 IonicContact NE-OE1 3.36Å; R328-E330 PolarHBondContact NE-OE1 2.97Å; R328-E330 PolarHBondContact O-N 3.09Å; E330-R332 PolarHBondContact O-N 2.94Å; E330-R332 VanDerWaalsContact O-N 3.16Å | ||
| 331 | H | 84 | Confident | 77.7 | Confident | 35 Ų | 35 | 94.9 Ų | 94.9 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | trans | -82 | 90 | -178.2 | -55.5 | -57 | 0 | 0 | 0 | 111.5 | C312 H325 G329 F333 | C312-H331 HydrophobicContact CB-CB 4.13Å; H325-H331 AromaticContact CD2-CE1 3.86Å; H325-H331 AromaticContact CE1-CE1 3.98Å; H325-H331 AromaticContact CE1-ND1 3.6Å; H325-H331 AromaticContact NE2-CE1 3.33Å; H325-H331 PolarHBondContact NE2-CE1 3.14Å; H325-H331 VanDerWaalsContact NE2-CE1 3.33Å; H325-H331 AromaticContact NE2-ND1 3.16Å; H325-H331 PolarHBondContact NE2-ND1 3.05Å; H325-H331 VanDerWaalsContact NE2-ND1 3.16Å; G329-H331 PolarHBondContact O-CD2 3.02Å; G329-H331 PolarHBondContact O-N 2.96Å; H331-F333 HydrophobicContact CB-CD2 4.44Å; H331-F333 HydrophobicContact CB-CE2 3.95Å; H331-F333 HydrophobicContact CB-CZ 4.42Å; H331-F333 WeakPolarHBondContact O-CD2 3.46Å; H331-F333 PolarHBondContact O-N 3.33Å; H331-F333 VanDerWaalsContact O-N 3.14Å | ||
| 332 | R | 68.8 | Low | 76.8 | Confident | 200 Ų | 200 | 96 Ų | 96 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | trans | -76.1 | 94.3 | 167.1 | -79.1 | -173.9 | 166.3 | 86.7 | -0.8 | 110.2 | E330 H334 | E330-R332 PolarHBondContact O-N 2.94Å; E330-R332 VanDerWaalsContact O-N 3.16Å; R332-H334 PolarHBondContact O-N 3.41Å; R332-H334 VanDerWaalsContact O-N 3.09Å | ||
| 333 | F | 64.7 | Low | 75.8 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | trans | -63.7 | 104.8 | 171.3 | -66.7 | -91.4 | 0 | 0 | 0 | 110.7 | M311 H331 M335 | M311-F333 WeakPolarHBondContact O-CD1 3.47Å; M311-F333 WeakPolarHBondContact O-CE1 3.43Å; H331-F333 HydrophobicContact CB-CD2 4.44Å; H331-F333 HydrophobicContact CB-CE2 3.95Å; H331-F333 HydrophobicContact CB-CZ 4.42Å; H331-F333 WeakPolarHBondContact O-CD2 3.46Å; H331-F333 PolarHBondContact O-N 3.33Å; H331-F333 VanDerWaalsContact O-N 3.14Å; F333-M335 PolarHBondContact O-N 3.17Å; F333-M335 VanDerWaalsContact O-N 3.17Å | ||
| 334 | H | 54.5 | Low | 74.7 | Confident | 174 Ų | 174 | 108.5 Ų | 108.5 | 81% | 0.806 | 56% | 0.555 | S | S | * | * | trans | -79.6 | 92.9 | 168.2 | -118 | -83.2 | 0 | 0 | 0 | 109.2 | R332 | R332-H334 PolarHBondContact O-N 3.41Å; R332-H334 VanDerWaalsContact O-N 3.09Å | ||
| 335 | M | 45.1 | Very low | 73.3 | Confident | 162 Ų | 162 | 114.1 Ų | 114.1 | 80% | 0.798 | 58% | 0.576 | S | S | * | * | trans | -75.8 | 127.6 | 164 | -61.2 | -77.6 | 85.1 | 0 | 0 | 108.4 | F333 | F333-M335 PolarHBondContact O-N 3.17Å; F333-M335 VanDerWaalsContact O-N 3.17Å | ||
| 336 | S | 40 | Very low | 71.7 | Confident | 184 Ų | 184 | 122.8 Ų | 122.8 | 100% | 1.287 | 62% | 0.621 | S | S | * | * | trans | -132.4 | 0 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 336 of 336 residues in 115.6 ms
(Link to these results)