| 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 | 45.1 | Very low | 66.9 | Low | 208 Ų | 208 | 95.4 Ų | 95.4 | 100% | 1.025 | 49% | 0.485 | S | S | * | . | 0 | 123.7 | 0 | -71.6 | -176.6 | -99.2 | 0 | 0 | 105.3 | F74 | M1-F74 HydrophobicContact CG-CE1 4.36Å; M1-F74 HydrophobicContact CG-CZ 4.16Å | |||
| 2 | L | 52.4 | Low | 66.5 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 42% | 0.419 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 135 | 178.9 | -73.6 | 158.7 | 0 | 0 | 0 | 107.1 | ||
| 3 | D | 54.4 | Low | 65.3 | Low | 146 Ų | 146 | 91.5 Ų | 91.5 | 78% | 0.781 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 141.9 | -174.8 | -73.2 | -57.6 | 0 | 0 | 0 | 112.2 | ||
| 4 | G | 64.8 | Low | 64.1 | Low | 48 Ų | 48 | 90.4 Ų | 90.4 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 153.5 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K6 | G4-K6 PolarHBondContact O-N 3.25Å; G4-K6 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 71.8 | Confident | 63.2 | Low | 27 Ų | 27 | 91.8 Ų | 91.8 | 14% | 0.141 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 116.4 | 168.8 | -80 | 143 | 0 | 0 | 0 | 109.7 | L48 L50 V60 L69 C73 | L5-L48 HydrophobicContact CD2-CB 4.16Å; L5-L48 HydrophobicContact CD2-CD2 3.74Å; L5-L50 HydrophobicContact CB-CD2 4.46Å; L5-L50 HydrophobicContact CD2-CD1 3.54Å; L5-L50 HydrophobicContact CD2-CD2 3.92Å; L5-L50 HydrophobicContact CD2-CG 3.52Å; L5-L50 HydrophobicContact CG-CD1 4.13Å; L5-L50 HydrophobicContact CG-CD2 3.76Å; L5-L50 HydrophobicContact CG-CG 3.97Å; L5-V60 HydrophobicContact CD1-CG1 3.89Å; L5-V60 HydrophobicContact CD2-CB 4.45Å; L5-V60 HydrophobicContact CD2-CG1 3.5Å; L5-V60 HydrophobicContact CD2-CG2 4.04Å; L5-V60 HydrophobicContact CG-CG1 4.36Å; L5-L69 HydrophobicContact CD1-CB 4.33Å; L5-L69 WeakPolarHBondContact CD1-O 3.25Å; L5-C73 HydrophobicContact CD1-CB 4.2Å |
| 6 | K | 77.6 | Confident | 62.2 | Low | 124 Ų | 124 | 94.5 Ų | 94.5 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 174 | -167.3 | -177.1 | 173.2 | -149 | 0 | 109.2 | G4 E8 R49 | G4-K6 PolarHBondContact O-N 3.25Å; G4-K6 VanDerWaalsContact O-N 3.15Å; K6-E8 HydrophobicContact CD-CG 4.33Å; K6-E8 HydrophobicContact CG-CG 4.28Å; K6-E8 IonicContact NZ-OE1 3.71Å; K6-E8 PolarHBondContact NZ-OE1 2.68Å; K6-R49 PolarHBondContact N-O 3.15Å; K6-R49 PolarHBondContact O-N 3.23Å |
| 7 | M | 77.6 | Confident | 61.1 | Low | 102 Ų | 102 | 96.9 Ų | 96.9 | 50% | 0.502 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.3 | 171.9 | -162.2 | 169 | -166.2 | 0 | 0 | 108.4 | F46 | M7-F46 HydrophobicContact CE-CB 3.37Å; M7-F46 HydrophobicContact CE-CD1 4.18Å; M7-F46 HydrophobicContact CE-CD2 4.06Å; M7-F46 HydrophobicContact CE-CG 3.63Å; M7-F46 HydrophobicContact CG-CB 4.15Å; M7-F46 HydrophobicContact CG-CD1 4.48Å |
| 8 | E | 80 | Confident | 60.2 | Low | 53 Ų | 53 | 97.6 Ų | 97.6 | 25% | 0.248 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.3 | 175.8 | -60.4 | -167.9 | 140.9 | 0 | 0 | 108.8 | K6 N10 L47 R49 | K6-E8 HydrophobicContact CD-CG 4.33Å; K6-E8 HydrophobicContact CG-CG 4.28Å; K6-E8 IonicContact NZ-OE1 3.71Å; K6-E8 PolarHBondContact NZ-OE1 2.68Å; E8-N10 PolarHBondContact O-N 3.26Å; E8-L47 HydrophobicContact CB-CD1 4.11Å; E8-L47 PolarHBondContact N-O 3.04Å; E8-L47 PolarHBondContact O-N 2.89Å; E8-R49 WeakPolarHBondContact OE2-CD 3.27Å |
| 9 | E | 77.5 | Confident | 59.4 | Low | 93 Ų | 93 | 95.2 Ų | 95.2 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 122.2 | 170.3 | -82.2 | -170.8 | 144.7 | 0 | 0 | 108.7 | F11 R45 F46 | E9-F11 HydrophobicContact CB-CE1 4.49Å; E9-F11 HydrophobicContact CB-CE2 4.27Å; E9-F11 HydrophobicContact CB-CZ 4.17Å; E9-F11 VanDerWaalsContact O-CD2 3.25Å; E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.06Å; E9-R45 IonicContact OE1-NH2 3.71Å; E9-R45 PolarHBondContact OE1-NH2 2.83Å; E9-F46 HydrophobicContact CG-CD1 3.65Å; E9-F46 HydrophobicContact CG-CE1 3.34Å; E9-F46 HydrophobicContact CG-CZ 4.38Å |
| 10 | N | 72.5 | Confident | 58.8 | Low | 11 Ų | 11 | 96.5 Ų | 96.5 | 6% | 0.059 | 55% | 0.546 | C | S | . | . | trans | -78 | 90.5 | 171.9 | -173 | 19.9 | 0 | 0 | 0 | 107.6 | E8 Q12 S13 I42 D44 R45 L47 | E8-N10 PolarHBondContact O-N 3.26Å; N10-Q12 PolarHBondContact O-N 2.86Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.44Å; N10-S13 PolarHBondContact O-N 3.16Å; N10-I42 PolarHBondContact ND2-O 2.96Å; N10-I42 VanDerWaalsContact ND2-O 3.09Å; N10-D44 WeakPolarHBondContact CB-O 3.33Å; N10-D44 PolarHBondContact ND2-O 3.44Å; N10-R45 WeakPolarHBondContact CB-O 3.39Å; N10-R45 PolarHBondContact N-O 2.97Å; N10-L47 HydrophobicContact CB-CB 4.41Å; N10-L47 HydrophobicContact CB-CD2 3.85Å; N10-L47 HydrophobicContact CB-CG 4.03Å | ||
| 11 | F | 62.4 | Low | 58.1 | Low | 157 Ų | 157 | 101.2 Ų | 101.2 | 69% | 0.689 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -58.7 | -6.3 | 179.5 | -66.4 | -79.3 | 0 | 0 | 0 | 114 | E9 | E9-F11 HydrophobicContact CB-CE1 4.49Å; E9-F11 HydrophobicContact CB-CE2 4.27Å; E9-F11 HydrophobicContact CB-CZ 4.17Å; E9-F11 VanDerWaalsContact O-CD2 3.25Å; E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.06Å |
| 12 | Q | 61.9 | Low | 58 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -75.9 | -25.9 | 177.5 | -134.8 | 74.4 | 39.9 | 0 | 0 | 114.1 | N10 A14 S30 | N10-Q12 PolarHBondContact O-N 2.86Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.44Å; Q12-A14 PolarHBondContact O-N 2.83Å; Q12-A14 VanDerWaalsContact O-N 3.16Å; Q12-S30 PolarHBondContact NE2-OG 2.91Å |
| 13 | S | 50.9 | Low | 57.7 | Low | 55 Ų | 55 | 98.1 Ų | 98.1 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -69.5 | -11.4 | -178.9 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | N10 | N10-S13 PolarHBondContact O-N 3.16Š|
| 14 | A | 49.2 | Very low | 57.5 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -88.6 | -3.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q12 | Q12-A14 PolarHBondContact O-N 2.83Å; Q12-A14 VanDerWaalsContact O-N 3.16Å |
| 15 | I | 49.8 | Very low | 56.5 | Low | 111 Ų | 111 | 104.5 Ų | 104.5 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -108.9 | -11.6 | -172.7 | -52.3 | -178.6 | 0 | 0 | 0 | 113.7 | T17 | I15-T17 PolarHBondContact O-N 3.48Š|
| 16 | D | 46.6 | Very low | 55.1 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 27.8 | -178 | -80.4 | -26.4 | 0 | 0 | 0 | 115.4 | ||
| 17 | T | 44.1 | Very low | 53.5 | Low | 135 Ų | 135 | 112.3 Ų | 112.3 | 83% | 0.828 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -1.3 | 161.3 | -12.6 | 0 | 0 | 0 | 0 | 113.4 | I15 | I15-T17 PolarHBondContact O-N 3.48Š|
| 18 | S | 44.6 | Very low | 52 | Low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -163.9 | 73.8 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 19 | A | 45.2 | Very low | 50.7 | Low | 52 Ų | 52 | 115.1 Ų | 115.1 | 43% | 0.43 | 68% | 0.676 | S | S | . | * | trans | -149.2 | 50.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F21 | A19-F21 PolarHBondContact O-N 2.98Š| ||
| 20 | S | 47.1 | Very low | 49.7 | Very low | 122 Ų | 122 | 113.1 Ų | 113.1 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -71 | 8.5 | 155.2 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 21 | F | 45 | Very low | 49.2 | Very low | 196 Ų | 196 | 118.4 Ų | 118.4 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -144.9 | 63.6 | -177.3 | -87.1 | -83.9 | 0 | 0 | 0 | 112.3 | A19 | A19-F21 PolarHBondContact O-N 2.98Š| ||
| 22 | S | 43 | Very low | 49.9 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -145.5 | 52 | 164.2 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | S | 45.6 | Very low | 51.2 | Low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -103.6 | 80.8 | 156.8 | -63.1 | 0 | 0 | 0 | 0 | 107 | ||
| 24 | L | 50.4 | Low | 53.1 | Low | 169 Ų | 169 | 114.7 Ų | 114.7 | 89% | 0.885 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -176.2 | -3.1 | 162.4 | -102.9 | 152.6 | 0 | 0 | 0 | 116.7 | ||
| 25 | L | 43.2 | Very low | 55.2 | Low | 159 Ų | 159 | 111 Ų | 111 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -128.6 | 124.2 | 172.5 | -72.1 | 164.7 | 0 | 0 | 0 | 108.5 | R27 | L25-R27 PolarHBondContact O-N 3.19Š|
| 26 | G | 42.3 | Very low | 57.2 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 95% | 0.948 | 64% | 0.642 | S | S | * | * | trans | -64.5 | 55.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A28 | G26-A28 PolarHBondContact O-N 3.23Š| ||
| 27 | R | 45.3 | Very low | 59.2 | Low | 224 Ų | 224 | 103.2 Ų | 103.2 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | trans | -71.7 | 113.6 | 172.2 | -156.5 | 170.7 | -177.2 | 157.1 | 0 | 105.5 | L25 V29 | L25-R27 PolarHBondContact O-N 3.19Å; R27-V29 PolarHBondContact O-N 3.09Å | ||
| 28 | A | 44.5 | Very low | 61.4 | Low | 95 Ų | 95 | 99 Ų | 99 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | trans | -43.4 | 105.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G26 S30 | G26-A28 PolarHBondContact O-N 3.23Å; A28-S30 PolarHBondContact O-N 2.85Å | ||
| 29 | V | 53.1 | Low | 63.6 | Low | 118 Ų | 118 | 99.4 Ų | 99.4 | 72% | 0.715 | 59% | 0.594 | S | S | * | * | trans | -62.2 | 109 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 104.6 | R27 | R27-V29 PolarHBondContact O-N 3.09Š| ||
| 30 | S | 57.6 | Low | 65.8 | Low | 52 Ų | 52 | 105.8 Ų | 105.8 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 135.2 | 174.3 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | Q12 A28 K32 | Q12-S30 PolarHBondContact NE2-OG 2.91Å; A28-S30 PolarHBondContact O-N 2.85Å; S30-K32 PolarHBondContact O-N 3.07Å |
| 31 | P | 60.9 | Low | 67.9 | Low | 121 Ų | 121 | 102.8 Ų | 102.8 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.7 | -175.7 | 23 | -32.2 | 0 | 0 | 0 | 108.5 | S33 | P31-S33 PolarHBondContact O-N 2.96Š|
| 32 | K | 77.1 | Confident | 70.1 | Confident | 134 Ų | 134 | 93.7 Ų | 93.7 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 123 | 177.6 | -67 | 178.8 | 178.7 | -179.2 | 0 | 107.8 | S30 V34 V41 | S30-K32 PolarHBondContact O-N 3.07Å; K32-V34 WeakPolarHBondContact O-CG2 3.42Å; K32-V34 PolarHBondContact O-N 2.81Å; K32-V34 VanDerWaalsContact O-N 3.08Å; K32-V41 HydrophobicContact CB-CG1 3.86Å; K32-V41 HydrophobicContact CB-CG2 4.12Å; K32-V41 HydrophobicContact CD-CG1 4.32Å; K32-V41 HydrophobicContact CD-CG2 4.24Å; K32-V41 HydrophobicContact CG-CG1 4.45Å |
| 33 | S | 89.3 | Confident | 72.2 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 17% | 0.168 | 54% | 0.541 | C | S | . | . | trans | -61.3 | 112.7 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | P31 I42 | P31-S33 PolarHBondContact O-N 2.96Å; S33-I42 PolarHBondContact O-N 3.26Å | ||
| 34 | V | 91.6 | Very high | 74 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 133.8 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | K32 E36 V41 | K32-V34 WeakPolarHBondContact O-CG2 3.42Å; K32-V34 PolarHBondContact O-N 2.81Å; K32-V34 VanDerWaalsContact O-N 3.08Å; V34-E36 PolarHBondContact O-N 3.34Å; V34-V41 HydrophobicContact CG2-CG2 4.42Å |
| 35 | C | 92.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 50% | 0.504 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 122.9 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | G37 Q39 R40 I42 F54 H56 C59 | C35-G37 PolarHBondContact O-N 3.08Å; C35-G37 PolarHBondContact SG-N 2.84Å; C35-G37 VanDerWaalsContact SG-N 3.43Å; C35-Q39 WeakPolarHBondContact O-CA 3.44Å; C35-Q39 PolarHBondContact O-N 2.96Å; C35-R40 WeakPolarHBondContact CB-O 3.49Å; C35-R40 PolarHBondContact N-O 3.44Å; C35-I42 HydrophobicContact CB-CD1 4.06Å; C35-I42 HydrophobicContact CB-CG1 3.8Å; C35-F54 CarbonylContact C-O 3.58Å; C35-F54 VanDerWaalsContact CA-O 3.27Å; C35-F54 WeakPolarHBondContact CA-O 3.13Å; C35-H56 WeakPolarHBondContact CB-CE1 3.42Å; C35-H56 WeakPolarHBondContact CB-ND1 3.29Å; C35-H56 PolarHBondContact SG-ND1 3.22Å; C35-C59 VanDerWaalsContact SG-SG 3.65Å |
| 36 | E | 91.5 | Very high | 77.7 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 19% | 0.187 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.2 | 178.7 | -173.7 | 67 | -150.6 | 0 | 0 | 112.1 | V34 Q39 F54 W55 K78 | V34-E36 PolarHBondContact O-N 3.34Å; E36-Q39 PolarHBondContact O-NE2 3.09Å; E36-F54 PolarHBondContact N-O 3.26Å; E36-W55 HydrophobicContact CB-CD2 4.43Å; E36-W55 HydrophobicContact CB-CH2 4Å; E36-W55 HydrophobicContact CB-CZ2 3.64Å; E36-W55 HydrophobicContact CG-CH2 4.08Å; E36-W55 HydrophobicContact CG-CZ2 3.8Å; E36-K78 VanDerWaalsContact OE1-CD 3.29Å; E36-K78 WeakPolarHBondContact OE1-CD 3.46Å; E36-K78 WeakPolarHBondContact OE1-CE 3.41Å; E36-K78 WeakPolarHBondContact OE1-CG 3.2Å; E36-K78 IonicContact OE1-NZ 3.48Å; E36-K78 PolarHBondContact OE1-NZ 3.04Å |
| 37 | G | 88.1 | Confident | 79.9 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -46.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C35 | C35-G37 PolarHBondContact O-N 3.08Å; C35-G37 PolarHBondContact SG-N 2.84Å; C35-G37 VanDerWaalsContact SG-N 3.43Å |
| 38 | C | 91.2 | Very high | 81.9 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -4.4 | -176.9 | 73.9 | 0 | 0 | 0 | 0 | 114 | R40 H56 | C38-R40 PolarHBondContact O-N 3.44Å; C38-R40 VanDerWaalsContact O-N 3.17Å; C38-H56 PolarHBondContact SG-CE1 3.2Å; C38-H56 PolarHBondContact SG-ND1 3.28Å |
| 39 | Q | 91 | Very high | 83.9 | Confident | 116 Ų | 116 | 73.8 Ų | 73.8 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | trans | 58.4 | 20.3 | -177 | -58.9 | -66.4 | -2.9 | 0 | 0 | 114.5 | C35 E36 | C35-Q39 WeakPolarHBondContact O-CA 3.44Å; C35-Q39 PolarHBondContact O-N 2.96Å; E36-Q39 PolarHBondContact O-NE2 3.09Å | ||
| 40 | R | 91.4 | Very high | 85.4 | Confident | 187 Ų | 187 | 68.3 Ų | 68.3 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -102.7 | 151.6 | 175.4 | -57.5 | 177.4 | -177.6 | -151.5 | -1 | 110.1 | C35 C38 | C35-R40 WeakPolarHBondContact CB-O 3.49Å; C35-R40 PolarHBondContact N-O 3.44Å; C38-R40 PolarHBondContact O-N 3.44Å; C38-R40 VanDerWaalsContact O-N 3.17Å |
| 41 | V | 91.7 | Very high | 86.6 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 138.6 | 174 | 177.7 | 0 | 0 | 0 | 0 | 110 | K32 V34 L43 H56 | K32-V41 HydrophobicContact CB-CG1 3.86Å; K32-V41 HydrophobicContact CB-CG2 4.12Å; K32-V41 HydrophobicContact CD-CG1 4.32Å; K32-V41 HydrophobicContact CD-CG2 4.24Å; K32-V41 HydrophobicContact CG-CG1 4.45Å; V34-V41 HydrophobicContact CG2-CG2 4.42Å; V41-L43 HydrophobicContact CG1-CD2 3.92Å; V41-L43 HydrophobicContact CG1-CG 4.46Å; V41-L43 PolarHBondContact O-N 2.98Å; V41-H56 PolarHBondContact O-NE2 2.72Å |
| 42 | I | 90.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -85.6 | 106.8 | 175.1 | -55.4 | 168.2 | 0 | 0 | 0 | 108.5 | N10 S33 C35 D44 L47 F54 H56 | N10-I42 PolarHBondContact ND2-O 2.96Å; N10-I42 VanDerWaalsContact ND2-O 3.09Å; S33-I42 PolarHBondContact O-N 3.26Å; C35-I42 HydrophobicContact CB-CD1 4.06Å; C35-I42 HydrophobicContact CB-CG1 3.8Å; I42-D44 HydrophobicContact CG2-CB 4.02Å; I42-L47 HydrophobicContact CD1-CB 4.22Å; I42-L47 HydrophobicContact CG2-CB 3.88Å; I42-F54 HydrophobicContact CD1-CB 3.49Å; I42-F54 VanDerWaalsContact CD1-CB 3.49Å; I42-H56 WeakPolarHBondContact CA-NE2 3.47Å | ||
| 43 | L | 87.2 | Confident | 88.4 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 68% | 0.681 | 33% | 0.325 | S | S | * | . | trans | -97.4 | -5.1 | 174.4 | -59.1 | 179 | 0 | 0 | 0 | 112.2 | V41 | V41-L43 HydrophobicContact CG1-CD2 3.92Å; V41-L43 HydrophobicContact CG1-CG 4.46Å; V41-L43 PolarHBondContact O-N 2.98Å | ||
| 44 | D | 84.2 | Confident | 88.5 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -62.5 | 150.1 | -179.2 | -57.9 | -6.4 | 0 | 0 | 0 | 110.3 | N10 I42 F46 H56 | N10-D44 WeakPolarHBondContact CB-O 3.33Å; N10-D44 PolarHBondContact ND2-O 3.44Å; I42-D44 HydrophobicContact CG2-CB 4.02Å; D44-F46 WeakPolarHBondContact CB-O 3.38Å; D44-F46 PolarHBondContact O-N 2.89Å; D44-H56 IonicContact OD2-CD2 2.83Å; D44-H56 PolarHBondContact OD2-CD2 2.91Å; D44-H56 IonicContact OD2-CG 3.07Å |
| 45 | R | 85 | Confident | 88.5 | Confident | 154 Ų | 154 | 63.6 Ų | 63.6 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -61.8 | -31.9 | 175.6 | 177.2 | 176.4 | 172.1 | 169 | 0.2 | 112.3 | E9 N10 | E9-R45 IonicContact OE1-NH2 3.71Å; E9-R45 PolarHBondContact OE1-NH2 2.83Å; N10-R45 WeakPolarHBondContact CB-O 3.39Å; N10-R45 PolarHBondContact N-O 2.97Å |
| 46 | F | 86.2 | Confident | 88.5 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 31% | 0.311 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.6 | 178.6 | -58 | -82.8 | 0 | 0 | 0 | 108.7 | M7 E9 D44 | M7-F46 HydrophobicContact CE-CB 3.37Å; M7-F46 HydrophobicContact CE-CD1 4.18Å; M7-F46 HydrophobicContact CE-CD2 4.06Å; M7-F46 HydrophobicContact CE-CG 3.63Å; M7-F46 HydrophobicContact CG-CB 4.15Å; M7-F46 HydrophobicContact CG-CD1 4.48Å; E9-F46 HydrophobicContact CG-CD1 3.65Å; E9-F46 HydrophobicContact CG-CE1 3.34Å; E9-F46 HydrophobicContact CG-CZ 4.38Å; D44-F46 WeakPolarHBondContact CB-O 3.38Å; D44-F46 PolarHBondContact O-N 2.89Å |
| 47 | L | 87.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151 | 173 | 61.9 | 73.9 | 0 | 0 | 0 | 109 | E8 N10 I42 F54 | E8-L47 HydrophobicContact CB-CD1 4.11Å; E8-L47 PolarHBondContact N-O 3.04Å; E8-L47 PolarHBondContact O-N 2.89Å; N10-L47 HydrophobicContact CB-CB 4.41Å; N10-L47 HydrophobicContact CB-CD2 3.85Å; N10-L47 HydrophobicContact CB-CG 4.03Å; I42-L47 HydrophobicContact CD1-CB 4.22Å; I42-L47 HydrophobicContact CG2-CB 3.88Å; L47-F54 HydrophobicContact CD1-CD1 3.63Å; L47-F54 HydrophobicContact CD1-CE1 4.14Å; L47-F54 HydrophobicContact CD2-CD1 4.27Å |
| 48 | L | 87.7 | Confident | 88.4 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.2 | 175.8 | -73.2 | 79.8 | 0 | 0 | 0 | 108.3 | L5 F54 W55 E57 V60 | L5-L48 HydrophobicContact CD2-CB 4.16Å; L5-L48 HydrophobicContact CD2-CD2 3.74Å; L48-F54 WeakPolarHBondContact O-CA 3.27Å; L48-W55 PolarHBondContact N-O 3.26Å; L48-W55 PolarHBondContact O-N 3.22Å; L48-E57 HydrophobicContact CD1-CB 4.08Å; L48-V60 HydrophobicContact CB-CG2 4.1Å; L48-V60 HydrophobicContact CD2-CB 4.45Å; L48-V60 HydrophobicContact CD2-CG1 4.42Å; L48-V60 HydrophobicContact CD2-CG2 4.07Å |
| 49 | R | 86.7 | Confident | 88.4 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.9 | 175.8 | -174 | 177.8 | 173.5 | 178.3 | 1.7 | 109.3 | K6 E8 N51 D52 F54 | K6-R49 PolarHBondContact N-O 3.15Å; K6-R49 PolarHBondContact O-N 3.23Å; E8-R49 WeakPolarHBondContact OE2-CD 3.27Å; R49-N51 PolarHBondContact NE-O 2.86Å; R49-N51 VanDerWaalsContact NE-O 3.07Å; R49-D52 IonicContact NH2-OD1 3.35Å; R49-F54 HydrophobicContact CB-CD1 4.42Å; R49-F54 HydrophobicContact CG-CD1 4.4Å; R49-F54 HydrophobicContact CG-CE1 4.26Å |
| 50 | L | 84.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.9 | 172.5 | -87.5 | 176.8 | 0 | 0 | 0 | 109 | L5 D52 S53 C73 L80 | L5-L50 HydrophobicContact CB-CD2 4.46Å; L5-L50 HydrophobicContact CD2-CD1 3.54Å; L5-L50 HydrophobicContact CD2-CD2 3.92Å; L5-L50 HydrophobicContact CD2-CG 3.52Å; L5-L50 HydrophobicContact CG-CD1 4.13Å; L5-L50 HydrophobicContact CG-CD2 3.76Å; L5-L50 HydrophobicContact CG-CG 3.97Å; L50-D52 PolarHBondContact O-N 3.17Å; L50-D52 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact N-O 3.27Å; L50-S53 PolarHBondContact O-N 2.95Å; L50-C73 VanDerWaalsContact CD1-SG 3.55Å; L50-L80 HydrophobicContact CD1-CD1 3.91Å; L50-L80 HydrophobicContact CD1-CD2 3.44Å; L50-L80 VanDerWaalsContact CD1-CD2 3.44Å; L50-L80 HydrophobicContact CD1-CG 4.34Å |
| 51 | N | 83.7 | Confident | 88.5 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -113.6 | -169.2 | -51.9 | -39.5 | 0 | 0 | 0 | 109.9 | R49 | R49-N51 PolarHBondContact NE-O 2.86Å; R49-N51 VanDerWaalsContact NE-O 3.07Å |
| 52 | D | 84.7 | Confident | 88.7 | Confident | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 13.2 | 178.3 | -60.8 | -46.1 | 0 | 0 | 0 | 113.5 | R49 L50 | R49-D52 IonicContact NH2-OD1 3.35Å; L50-D52 PolarHBondContact O-N 3.17Å; L50-D52 VanDerWaalsContact O-N 3.09Å |
| 53 | S | 90.1 | Very high | 88.8 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.6 | 178 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | L50 | L50-S53 PolarHBondContact N-O 3.27Å; L50-S53 PolarHBondContact O-N 2.95Å |
| 54 | F | 91.4 | Very high | 89.1 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 26% | 0.263 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 148.2 | 175.7 | -53.9 | -71.6 | 0 | 0 | 0 | 110.8 | C35 E36 I42 L47 L48 R49 | C35-F54 CarbonylContact C-O 3.58Å; C35-F54 VanDerWaalsContact CA-O 3.27Å; C35-F54 WeakPolarHBondContact CA-O 3.13Å; E36-F54 PolarHBondContact N-O 3.26Å; I42-F54 HydrophobicContact CD1-CB 3.49Å; I42-F54 VanDerWaalsContact CD1-CB 3.49Å; L47-F54 HydrophobicContact CD1-CD1 3.63Å; L47-F54 HydrophobicContact CD1-CE1 4.14Å; L47-F54 HydrophobicContact CD2-CD1 4.27Å; L48-F54 WeakPolarHBondContact O-CA 3.27Å; R49-F54 HydrophobicContact CB-CD1 4.42Å; R49-F54 HydrophobicContact CG-CD1 4.4Å; R49-F54 HydrophobicContact CG-CE1 4.26Å |
| 55 | W | 92 | Very high | 89.6 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143 | -177.5 | -58.5 | 79.2 | 0 | 0 | 0 | 110.6 | E36 L48 C59 V60 Y75 L80 | E36-W55 HydrophobicContact CB-CD2 4.43Å; E36-W55 HydrophobicContact CB-CH2 4Å; E36-W55 HydrophobicContact CB-CZ2 3.64Å; E36-W55 HydrophobicContact CG-CH2 4.08Å; E36-W55 HydrophobicContact CG-CZ2 3.8Å; L48-W55 PolarHBondContact N-O 3.26Å; L48-W55 PolarHBondContact O-N 3.22Å; W55-C59 HydrophobicContact CE3-CB 4.24Å; W55-V60 HydrophobicContact CB-CG2 3.49Å; W55-V60 VanDerWaalsContact CB-CG2 3.49Å; W55-V60 HydrophobicContact CG-CG2 4.15Å; W55-Y75 HydrophobicContact CH2-CE2 4.15Å; W55-Y75 AromaticContact CZ2-CD2 3.99Å; W55-Y75 HydrophobicContact CZ2-CD2 3.99Å; W55-Y75 AromaticContact CZ2-CE2 3.61Å; W55-Y75 HydrophobicContact CZ2-CE2 3.61Å; W55-L80 HydrophobicContact CD2-CD1 3.89Å; W55-L80 HydrophobicContact CE3-CD1 3.74Å; W55-L80 HydrophobicContact CE3-CG 4.4Å; W55-L80 HydrophobicContact CH2-CD1 4.22Å; W55-L80 HydrophobicContact CH2-CG 3.99Å; W55-L80 HydrophobicContact CZ2-CD1 4.33Å; W55-L80 HydrophobicContact CZ2-CD2 4.34Å; W55-L80 HydrophobicContact CZ2-CG 4.18Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å; W55-L80 HydrophobicContact CZ3-CG 4.08Å |
| 56 | H | 91.9 | Very high | 89.9 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.111 | 29% | 0.287 | C | S | . | . | trans | -67 | 150.7 | 162.5 | -57.7 | 101.5 | 0 | 0 | 0 | 109.6 | C35 C38 V41 I42 D44 Q58 C59 V60 | C35-H56 WeakPolarHBondContact CB-CE1 3.42Å; C35-H56 WeakPolarHBondContact CB-ND1 3.29Å; C35-H56 PolarHBondContact SG-ND1 3.22Å; C38-H56 PolarHBondContact SG-CE1 3.2Å; C38-H56 PolarHBondContact SG-ND1 3.28Å; V41-H56 PolarHBondContact O-NE2 2.72Å; I42-H56 WeakPolarHBondContact CA-NE2 3.47Å; D44-H56 IonicContact OD2-CD2 2.83Å; D44-H56 PolarHBondContact OD2-CD2 2.91Å; D44-H56 IonicContact OD2-CG 3.07Å; H56-Q58 VanDerWaalsContact C-N 3.27Å; H56-Q58 PolarHBondContact O-N 3.43Å; H56-C59 HydrophobicContact CB-CB 4.01Å; H56-C59 WeakPolarHBondContact O-CA 3.44Å; H56-C59 WeakPolarHBondContact O-CB 3.47Å; H56-C59 PolarHBondContact O-N 3.31Å; H56-V60 PolarHBondContact O-N 3.32Å | ||
| 57 | E | 88.8 | Confident | 90.3 | Very high | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -52.1 | -46.4 | 174.1 | -173.2 | 179.1 | 178.3 | 0 | 0 | 111.8 | L48 C59 V60 | L48-E57 HydrophobicContact CD1-CB 4.08Å; E57-C59 VanDerWaalsContact C-N 3.26Å; E57-C59 PolarHBondContact O-N 3.47Å; E57-V60 PolarHBondContact O-N 3.19Å |
| 58 | Q | 89 | Confident | 90.5 | Very high | 169 Ų | 169 | 63.4 Ų | 63.4 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -70 | -19.8 | 177.8 | -61.2 | 175.3 | 7.2 | 0 | 0 | 114 | H56 | H56-Q58 VanDerWaalsContact C-N 3.27Å; H56-Q58 PolarHBondContact O-N 3.43Å |
| 59 | C | 91.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -84.8 | -14.4 | 176.9 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | C35 W55 H56 E57 Q61 | C35-C59 VanDerWaalsContact SG-SG 3.65Å; W55-C59 HydrophobicContact CE3-CB 4.24Å; H56-C59 HydrophobicContact CB-CB 4.01Å; H56-C59 WeakPolarHBondContact O-CA 3.44Å; H56-C59 WeakPolarHBondContact O-CB 3.47Å; H56-C59 PolarHBondContact O-N 3.31Å; E57-C59 VanDerWaalsContact C-N 3.26Å; E57-C59 PolarHBondContact O-N 3.47Å; C59-Q61 VanDerWaalsContact C-N 3.27Å; C59-Q61 PolarHBondContact O-N 2.83Å |
| 60 | V | 91.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | trans | -83 | 75 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | L5 L48 W55 H56 E57 P68 L69 L80 | L5-V60 HydrophobicContact CD1-CG1 3.89Å; L5-V60 HydrophobicContact CD2-CB 4.45Å; L5-V60 HydrophobicContact CD2-CG1 3.5Å; L5-V60 HydrophobicContact CD2-CG2 4.04Å; L5-V60 HydrophobicContact CG-CG1 4.36Å; L48-V60 HydrophobicContact CB-CG2 4.1Å; L48-V60 HydrophobicContact CD2-CB 4.45Å; L48-V60 HydrophobicContact CD2-CG1 4.42Å; L48-V60 HydrophobicContact CD2-CG2 4.07Å; W55-V60 HydrophobicContact CB-CG2 3.49Å; W55-V60 VanDerWaalsContact CB-CG2 3.49Å; W55-V60 HydrophobicContact CG-CG2 4.15Å; H56-V60 PolarHBondContact O-N 3.32Å; E57-V60 PolarHBondContact O-N 3.19Å; V60-P68 WeakPolarHBondContact O-CA 3.39Å; V60-L69 HydrophobicContact CG1-CB 3.92Å; V60-L69 VanDerWaalsContact CG1-O 3.29Å; V60-L69 WeakPolarHBondContact CG1-O 3.29Å; V60-L69 PolarHBondContact O-N 2.89Å; V60-L80 HydrophobicContact CB-CD1 4.38Å; V60-L80 HydrophobicContact CG1-CD1 4.24Å; V60-L80 HydrophobicContact CG2-CD1 4.25Å | ||
| 61 | Q | 93.7 | Very high | 90.3 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -140.2 | 153 | 177 | 61.2 | -179.3 | 15 | 0 | 0 | 110.5 | C59 A63 E67 | C59-Q61 VanDerWaalsContact C-N 3.27Å; C59-Q61 PolarHBondContact O-N 2.83Å; Q61-A63 PolarHBondContact O-N 2.95Å; Q61-E67 CarbonylContact C-O 3.56Å; Q61-E67 VanDerWaalsContact CA-O 3.23Å; Q61-E67 WeakPolarHBondContact CA-O 3.14Å; Q61-E67 WeakPolarHBondContact CB-O 3.44Å |
| 62 | C | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -61.6 | 129.4 | 177 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | S64 C65 K66 E67 L69 L80 C82 D85 | C62-S64 PolarHBondContact O-N 2.75Å; C62-S64 PolarHBondContact SG-N 3.31Å; C62-S64 VanDerWaalsContact SG-N 3.44Å; C62-C65 WeakPolarHBondContact CB-SG 3.43Å; C62-C65 VanDerWaalsContact SG-SG 3.7Å; C62-K66 WeakPolarHBondContact O-CA 3.23Å; C62-K66 PolarHBondContact O-N 3.33Å; C62-E67 PolarHBondContact N-O 3.04Å; C62-L69 HydrophobicContact CB-CD2 4.24Å; C62-L80 CarbonylContact C-O 3.52Å; C62-L80 WeakPolarHBondContact CA-O 3.13Å; C62-C82 HydrophobicContact CB-CB 4.1Å; C62-C82 PolarHBondContact SG-N 2.89Å; C62-D85 PolarHBondContact SG-OD2 2.82Å | ||
| 63 | A | 92.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 66 Ų | 66 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q61 K66 K79 L80 Y81 | Q61-A63 PolarHBondContact O-N 2.95Å; A63-K66 WeakPolarHBondContact O-CE 3.48Å; A63-K66 PolarHBondContact O-NZ 2.95Å; A63-K79 HydrophobicContact CB-CB 4.04Å; A63-K79 HydrophobicContact CB-CD 4.27Å; A63-K79 HydrophobicContact CB-CG 4.38Å; A63-L80 WeakPolarHBondContact CB-O 3.41Å; A63-L80 PolarHBondContact N-O 3.26Å; A63-Y81 HydrophobicContact CB-CD1 4.45Å; A63-Y81 HydrophobicContact CB-CE1 4.03Å |
| 64 | S | 93.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -64.6 | 179.1 | -78.5 | 0 | 0 | 0 | 0 | 113 | C62 D85 L89 | C62-S64 PolarHBondContact O-N 2.75Å; C62-S64 PolarHBondContact SG-N 3.31Å; C62-S64 VanDerWaalsContact SG-N 3.44Å; S64-D85 WeakPolarHBondContact CB-OD2 3Å; S64-L89 WeakPolarHBondContact OG-CD1 3.36Å |
| 65 | C | 94.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.7 | -178.3 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | C62 E67 D85 | C62-C65 WeakPolarHBondContact CB-SG 3.43Å; C62-C65 VanDerWaalsContact SG-SG 3.7Å; C65-E67 HydrophobicContact CB-CG 4.41Å; C65-E67 PolarHBondContact O-N 3.11Å; C65-D85 WeakPolarHBondContact CB-OD2 3.47Å; C65-D85 PolarHBondContact N-OD2 2.85Å |
| 66 | K | 92.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | trans | 63.7 | 9.5 | -174.7 | -50.6 | -55.4 | -171.8 | -165.6 | 0 | 115.6 | C62 A63 | C62-K66 WeakPolarHBondContact O-CA 3.23Å; C62-K66 PolarHBondContact O-N 3.33Å; A63-K66 WeakPolarHBondContact O-CE 3.48Å; A63-K66 PolarHBondContact O-NZ 2.95Å | ||
| 67 | E | 93.3 | Very high | 90.2 | Very high | 126 Ų | 126 | 75.5 Ų | 75.5 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | trans | -70.8 | 140.9 | 172.6 | -65.8 | -178.9 | 158.3 | 0 | 0 | 111 | Q61 C62 C65 | Q61-E67 CarbonylContact C-O 3.56Å; Q61-E67 VanDerWaalsContact CA-O 3.23Å; Q61-E67 WeakPolarHBondContact CA-O 3.14Å; Q61-E67 WeakPolarHBondContact CB-O 3.44Å; C62-E67 PolarHBondContact N-O 3.04Å; C65-E67 HydrophobicContact CB-CG 4.41Å; C65-E67 PolarHBondContact O-N 3.11Å | ||
| 68 | P | 92.2 | Very high | 90.2 | Very high | 96 Ų | 96 | 75.2 Ų | 75.2 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 140.6 | 175.1 | 27.8 | -34 | 0 | 0 | 0 | 110.7 | V60 | V60-P68 WeakPolarHBondContact O-CA 3.39Å |
| 69 | L | 90.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 72.6 Ų | 72.6 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | trans | -102.7 | 113.9 | -178.7 | -55.1 | 168.5 | 0 | 0 | 0 | 109.3 | L5 V60 C62 C73 L80 C82 | L5-L69 HydrophobicContact CD1-CB 4.33Å; L5-L69 WeakPolarHBondContact CD1-O 3.25Å; V60-L69 HydrophobicContact CG1-CB 3.92Å; V60-L69 VanDerWaalsContact CG1-O 3.29Å; V60-L69 WeakPolarHBondContact CG1-O 3.29Å; V60-L69 PolarHBondContact O-N 2.89Å; C62-L69 HydrophobicContact CB-CD2 4.24Å; L69-C73 HydrophobicContact CB-CB 4.09Å; L69-C73 HydrophobicContact CD1-CB 3.55Å; L69-C73 HydrophobicContact CG-CB 4.32Å; L69-L80 HydrophobicContact CD1-CB 3.69Å; L69-C82 HydrophobicContact CD2-CB 3.65Å | ||
| 70 | E | 82.1 | Confident | 90.3 | Very high | 162 Ų | 162 | 71.3 Ų | 71.3 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | trans | -92.2 | -56.7 | -172.6 | -63.3 | 178.1 | 177.8 | 0 | 0 | 113 | ||||
| 71 | T | 81.6 | Confident | 90.4 | Very high | 105 Ų | 105 | 72.1 Ų | 72.1 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -111.4 | -38.1 | -168.1 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 72 | T | 84.7 | Confident | 90.3 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | trans | -135.8 | 138.3 | -178 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | C | 89.2 | Confident | 90 | Very high | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.034 | 38% | 0.379 | C | S | . | . | trans | -145.1 | 157.3 | 177 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | L5 L50 L69 | L5-C73 HydrophobicContact CD1-CB 4.2Å; L50-C73 VanDerWaalsContact CD1-SG 3.55Å; L69-C73 HydrophobicContact CB-CB 4.09Å; L69-C73 HydrophobicContact CD1-CB 3.55Å; L69-C73 HydrophobicContact CG-CB 4.32Å | ||
| 74 | F | 90.4 | Very high | 89.9 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122 | 172.3 | -69.5 | -99.6 | 0 | 0 | 0 | 109.4 | M1 L80 Y81 K83 Y86 | M1-F74 HydrophobicContact CG-CE1 4.36Å; M1-F74 HydrophobicContact CG-CZ 4.16Å; F74-L80 CarbonylContact O-C 3.49Å; F74-L80 WeakPolarHBondContact O-CA 3.48Å; F74-Y81 PolarHBondContact N-O 2.89Å; F74-Y81 PolarHBondContact O-N 3.44Å; F74-K83 HydrophobicContact CD2-CB 4.4Å; F74-K83 HydrophobicContact CE2-CB 3.75Å; F74-K83 HydrophobicContact CE2-CG 3.87Å; F74-K83 HydrophobicContact CZ-CG 4.33Å; F74-Y86 HydrophobicContact CB-CD1 4.09Å; F74-Y86 HydrophobicContact CB-CD2 3.3Å; F74-Y86 HydrophobicContact CB-CE2 3.85Å; F74-Y86 HydrophobicContact CB-CG 3.43Å; F74-Y86 VanDerWaalsContact CB-CG 3.43Å; F74-Y86 AromaticContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD2 4.07Å; F74-Y86 AromaticContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE2 4.19Å; F74-Y86 AromaticContact CD1-CG 3.64Å; F74-Y86 HydrophobicContact CD1-CG 3.64Å; F74-Y86 AromaticContact CD1-CZ 3.94Å; F74-Y86 HydrophobicContact CD2-CD1 4.37Å; F74-Y86 HydrophobicContact CD2-CG 4.16Å; F74-Y86 AromaticContact CE1-CD1 3.77Å; F74-Y86 HydrophobicContact CE1-CD1 3.77Å; F74-Y86 AromaticContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CG 4.43Å; F74-Y86 AromaticContact CG-CD1 3.68Å; F74-Y86 HydrophobicContact CG-CD1 3.68Å; F74-Y86 AromaticContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CE1 4.23Å; F74-Y86 HydrophobicContact CG-CE2 4.38Å; F74-Y86 AromaticContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CG-CG 3.47Å; F74-Y86 VanDerWaalsContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CZ-CD1 4.45Å |
| 75 | Y | 89.8 | Confident | 89.9 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 24% | 0.235 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 124.7 | 177.1 | 177.3 | -106.2 | 0 | 0 | 0 | 110.5 | W55 L80 | W55-Y75 HydrophobicContact CH2-CE2 4.15Å; W55-Y75 AromaticContact CZ2-CD2 3.99Å; W55-Y75 HydrophobicContact CZ2-CD2 3.99Å; W55-Y75 AromaticContact CZ2-CE2 3.61Å; W55-Y75 HydrophobicContact CZ2-CE2 3.61Å; Y75-L80 HydrophobicContact CD2-CD2 3.76Å; Y75-L80 HydrophobicContact CG-CD2 4.35Å |
| 76 | R | 89.7 | Confident | 89.7 | Confident | 109 Ų | 109 | 79 Ų | 79 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 137.4 | 176.7 | -170 | -177.6 | 177.1 | 96.5 | 5.4 | 110.4 | K78 K79 Y81 Y86 | R76-K78 VanDerWaalsContact C-N 3.26Å; R76-K78 PolarHBondContact O-N 3.39Å; R76-K79 PolarHBondContact N-O 3.24Å; R76-K79 PolarHBondContact O-N 2.82Å; R76-Y81 HydrophobicContact CB-CE2 4.35Å; R76-Y86 HydrophobicContact CB-CE2 4.17Å |
| 77 | D | 88.4 | Confident | 89.6 | Confident | 116 Ų | 116 | 77.5 Ų | 77.5 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 43.6 | 175.2 | -56.5 | -39.2 | 0 | 0 | 0 | 113.5 | K79 | D77-K79 PolarHBondContact O-N 2.98Š|
| 78 | K | 88.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 77.9 Ų | 77.9 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 20.7 | -176.7 | -57.4 | 173.6 | 170.5 | -111.6 | 0 | 114.9 | E36 R76 | E36-K78 VanDerWaalsContact OE1-CD 3.29Å; E36-K78 WeakPolarHBondContact OE1-CD 3.46Å; E36-K78 WeakPolarHBondContact OE1-CE 3.41Å; E36-K78 WeakPolarHBondContact OE1-CG 3.2Å; E36-K78 IonicContact OE1-NZ 3.48Å; E36-K78 PolarHBondContact OE1-NZ 3.04Å; R76-K78 VanDerWaalsContact C-N 3.26Å; R76-K78 PolarHBondContact O-N 3.39Å |
| 79 | K | 91.5 | Very high | 89.2 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.7 | 178.6 | -67.2 | 175.5 | -175.9 | 174.7 | 0 | 110.6 | A63 R76 D77 Y81 | A63-K79 HydrophobicContact CB-CB 4.04Å; A63-K79 HydrophobicContact CB-CD 4.27Å; A63-K79 HydrophobicContact CB-CG 4.38Å; R76-K79 PolarHBondContact N-O 3.24Å; R76-K79 PolarHBondContact O-N 2.82Å; D77-K79 PolarHBondContact O-N 2.98Å; K79-Y81 HydrophobicContact CB-CD2 4.45Å; K79-Y81 HydrophobicContact CB-CE2 3.61Å |
| 80 | L | 92.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.9 | 175 | -61.7 | 173.3 | 0 | 0 | 0 | 109.8 | L50 W55 V60 C62 A63 L69 F74 Y75 | L50-L80 HydrophobicContact CD1-CD1 3.91Å; L50-L80 HydrophobicContact CD1-CD2 3.44Å; L50-L80 VanDerWaalsContact CD1-CD2 3.44Å; L50-L80 HydrophobicContact CD1-CG 4.34Å; W55-L80 HydrophobicContact CD2-CD1 3.89Å; W55-L80 HydrophobicContact CE3-CD1 3.74Å; W55-L80 HydrophobicContact CE3-CG 4.4Å; W55-L80 HydrophobicContact CH2-CD1 4.22Å; W55-L80 HydrophobicContact CH2-CG 3.99Å; W55-L80 HydrophobicContact CZ2-CD1 4.33Å; W55-L80 HydrophobicContact CZ2-CD2 4.34Å; W55-L80 HydrophobicContact CZ2-CG 4.18Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å; W55-L80 HydrophobicContact CZ3-CG 4.08Å; V60-L80 HydrophobicContact CB-CD1 4.38Å; V60-L80 HydrophobicContact CG1-CD1 4.24Å; V60-L80 HydrophobicContact CG2-CD1 4.25Å; C62-L80 CarbonylContact C-O 3.52Å; C62-L80 WeakPolarHBondContact CA-O 3.13Å; A63-L80 WeakPolarHBondContact CB-O 3.41Å; A63-L80 PolarHBondContact N-O 3.26Å; L69-L80 HydrophobicContact CD1-CB 3.69Å; F74-L80 CarbonylContact O-C 3.49Å; F74-L80 WeakPolarHBondContact O-CA 3.48Å; Y75-L80 HydrophobicContact CD2-CD2 3.76Å; Y75-L80 HydrophobicContact CG-CD2 4.35Å |
| 81 | Y | 92.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 8% | 0.078 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 144.4 | 179.6 | -62.9 | -88.1 | 0 | 0 | 0 | 110 | A63 F74 R76 K79 Y86 L89 F90 | A63-Y81 HydrophobicContact CB-CD1 4.45Å; A63-Y81 HydrophobicContact CB-CE1 4.03Å; F74-Y81 PolarHBondContact N-O 2.89Å; F74-Y81 PolarHBondContact O-N 3.44Å; R76-Y81 HydrophobicContact CB-CE2 4.35Å; K79-Y81 HydrophobicContact CB-CD2 4.45Å; K79-Y81 HydrophobicContact CB-CE2 3.61Å; Y81-Y86 HydrophobicContact CD2-CD2 4.44Å; Y81-L89 HydrophobicContact CD1-CD1 4.22Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; Y81-F90 HydrophobicContact CD1-CE2 4.16Å; Y81-F90 AromaticContact CD2-CE2 3.92Å; Y81-F90 HydrophobicContact CD2-CE2 3.92Å; Y81-F90 AromaticContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CZ 4.29Å; Y81-F90 AromaticContact CE2-CE2 3.7Å; Y81-F90 HydrophobicContact CE2-CE2 3.7Å; Y81-F90 AromaticContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CG-CE2 4.15Å; Y81-F90 AromaticContact CZ-CE2 3.71Å; Y81-F90 AromaticContact CZ-CZ 3.76Å |
| 82 | C | 92.4 | Very high | 90 | Very high | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | trans | -69.5 | 161.5 | 166 | 73.8 | 0 | 0 | 0 | 0 | 109.6 | C62 L69 Y84 D85 Y86 | C62-C82 HydrophobicContact CB-CB 4.1Å; C62-C82 PolarHBondContact SG-N 2.89Å; L69-C82 HydrophobicContact CD2-CB 3.65Å; C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 3.21Å; C82-D85 PolarHBondContact O-N 2.82Å; C82-D85 VanDerWaalsContact SG-CG 3.6Å; C82-D85 PolarHBondContact SG-N 2.89Å; C82-D85 PolarHBondContact SG-OD2 2.97Å; C82-Y86 VanDerWaalsContact O-CB 3.26Å; C82-Y86 WeakPolarHBondContact O-CB 3.31Å; C82-Y86 PolarHBondContact O-N 3.48Å | ||
| 83 | K | 88.6 | Confident | 90.4 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.1 | -47 | 178.9 | -177.1 | 179.4 | 174.6 | -175.2 | 0 | 112.2 | F74 Y86 E87 | F74-K83 HydrophobicContact CD2-CB 4.4Å; F74-K83 HydrophobicContact CE2-CB 3.75Å; F74-K83 HydrophobicContact CE2-CG 3.87Å; F74-K83 HydrophobicContact CZ-CG 4.33Å; K83-Y86 PolarHBondContact O-N 3.46Å; K83-E87 WeakPolarHBondContact CE-OE1 3.26Å; K83-E87 WeakPolarHBondContact O-CB 2.99Å; K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 2.89Å |
| 84 | Y | 90.8 | Very high | 90.7 | Very high | 156 Ų | 156 | 74.4 Ų | 74.4 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.2 | -51.3 | -177.7 | -180 | -95.9 | 0 | 0 | 0 | 112.5 | C82 Y86 E87 K88 | C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 3.21Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.47Å; Y84-E87 PolarHBondContact O-N 3.44Å; Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 VanDerWaalsContact O-CB 3.28Å; Y84-K88 WeakPolarHBondContact O-CB 3.32Å; Y84-K88 PolarHBondContact O-N 3.08Å |
| 85 | D | 92 | Very high | 90.8 | Very high | 18 Ų | 18 | 74.2 Ų | 74.2 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | -180 | -74.8 | -29.5 | 0 | 0 | 0 | 111.8 | C62 S64 C65 C82 K88 L89 | C62-D85 PolarHBondContact SG-OD2 2.82Å; S64-D85 WeakPolarHBondContact CB-OD2 3Å; C65-D85 WeakPolarHBondContact CB-OD2 3.47Å; C65-D85 PolarHBondContact N-OD2 2.85Å; C82-D85 PolarHBondContact O-N 2.82Å; C82-D85 VanDerWaalsContact SG-CG 3.6Å; C82-D85 PolarHBondContact SG-N 2.89Å; C82-D85 PolarHBondContact SG-OD2 2.97Å; D85-K88 PolarHBondContact O-N 2.97Å; D85-L89 HydrophobicContact CB-CD1 4.47Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CG 3.34Å; D85-L89 PolarHBondContact O-N 3.47Å |
| 86 | Y | 90.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 73.3 Ų | 73.3 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 176.5 | -175.6 | -93.7 | 0 | 0 | 0 | 111.5 | F74 R76 Y81 C82 K83 Y84 K88 L89 F90 | F74-Y86 HydrophobicContact CB-CD1 4.09Å; F74-Y86 HydrophobicContact CB-CD2 3.3Å; F74-Y86 HydrophobicContact CB-CE2 3.85Å; F74-Y86 HydrophobicContact CB-CG 3.43Å; F74-Y86 VanDerWaalsContact CB-CG 3.43Å; F74-Y86 AromaticContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD2 4.07Å; F74-Y86 AromaticContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE2 4.19Å; F74-Y86 AromaticContact CD1-CG 3.64Å; F74-Y86 HydrophobicContact CD1-CG 3.64Å; F74-Y86 AromaticContact CD1-CZ 3.94Å; F74-Y86 HydrophobicContact CD2-CD1 4.37Å; F74-Y86 HydrophobicContact CD2-CG 4.16Å; F74-Y86 AromaticContact CE1-CD1 3.77Å; F74-Y86 HydrophobicContact CE1-CD1 3.77Å; F74-Y86 AromaticContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CG 4.43Å; F74-Y86 AromaticContact CG-CD1 3.68Å; F74-Y86 HydrophobicContact CG-CD1 3.68Å; F74-Y86 AromaticContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CE1 4.23Å; F74-Y86 HydrophobicContact CG-CE2 4.38Å; F74-Y86 AromaticContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CG-CG 3.47Å; F74-Y86 VanDerWaalsContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CZ-CD1 4.45Å; R76-Y86 HydrophobicContact CB-CE2 4.17Å; Y81-Y86 HydrophobicContact CD2-CD2 4.44Å; C82-Y86 VanDerWaalsContact O-CB 3.26Å; C82-Y86 WeakPolarHBondContact O-CB 3.31Å; C82-Y86 PolarHBondContact O-N 3.48Å; K83-Y86 PolarHBondContact O-N 3.46Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.47Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.43Å; Y86-L89 PolarHBondContact O-N 2.91Å; Y86-F90 AromaticContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CD2 3.48Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CE2 4.06Å; Y86-F90 HydrophobicContact CD2-CG 4.39Å; Y86-F90 HydrophobicContact CE2-CB 4.33Å; Y86-F90 AromaticContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CE2 4.4Å; Y86-F90 HydrophobicContact CE2-CG 4.26Å; Y86-F90 HydrophobicContact CG-CD2 4.13Å; Y86-F90 WeakPolarHBondContact O-CA 3.38Å; Y86-F90 WeakPolarHBondContact O-CB 3.45Å; Y86-F90 PolarHBondContact O-N 2.95Å |
| 87 | E | 89.2 | Confident | 91.1 | Very high | 89 Ų | 89 | 70.5 Ų | 70.5 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.5 | -73.5 | 173.7 | 178.6 | 0 | 0 | 110.7 | K83 Y84 A91 | K83-E87 WeakPolarHBondContact CE-OE1 3.26Å; K83-E87 WeakPolarHBondContact O-CB 2.99Å; K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 2.89Å; Y84-E87 PolarHBondContact O-N 3.44Å; E87-A91 VanDerWaalsContact O-CA 3.31Å; E87-A91 WeakPolarHBondContact O-CA 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.3Å |
| 88 | K | 88.4 | Confident | 91.3 | Very high | 134 Ų | 134 | 72 Ų | 72 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | -179.9 | -175.1 | 177.2 | 179.1 | 180 | 0 | 113.7 | Y84 D85 Y86 | Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 VanDerWaalsContact O-CB 3.28Å; Y84-K88 WeakPolarHBondContact O-CB 3.32Å; Y84-K88 PolarHBondContact O-N 3.08Å; D85-K88 PolarHBondContact O-N 2.97Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.43Å |
| 89 | L | 89.3 | Confident | 91.6 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -85.5 | -34.5 | -174.4 | -67.1 | 172.6 | 0 | 0 | 0 | 113 | S64 Y81 D85 Y86 | S64-L89 WeakPolarHBondContact OG-CD1 3.36Å; Y81-L89 HydrophobicContact CD1-CD1 4.22Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; D85-L89 HydrophobicContact CB-CD1 4.47Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CG 3.34Å; D85-L89 PolarHBondContact O-N 3.47Å; Y86-L89 PolarHBondContact O-N 2.91Å |
| 90 | F | 89.4 | Confident | 91.6 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -117.5 | 16.7 | -173 | -52 | -72 | 0 | 0 | 0 | 113 | Y81 Y86 V92 | Y81-F90 HydrophobicContact CD1-CE2 4.16Å; Y81-F90 AromaticContact CD2-CE2 3.92Å; Y81-F90 HydrophobicContact CD2-CE2 3.92Å; Y81-F90 AromaticContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CZ 4.29Å; Y81-F90 AromaticContact CE2-CE2 3.7Å; Y81-F90 HydrophobicContact CE2-CE2 3.7Å; Y81-F90 AromaticContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CG-CE2 4.15Å; Y81-F90 AromaticContact CZ-CE2 3.71Å; Y81-F90 AromaticContact CZ-CZ 3.76Å; Y86-F90 AromaticContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CD2 3.48Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CE2 4.06Å; Y86-F90 HydrophobicContact CD2-CG 4.39Å; Y86-F90 HydrophobicContact CE2-CB 4.33Å; Y86-F90 AromaticContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CE2 4.4Å; Y86-F90 HydrophobicContact CE2-CG 4.26Å; Y86-F90 HydrophobicContact CG-CD2 4.13Å; Y86-F90 WeakPolarHBondContact O-CA 3.38Å; Y86-F90 WeakPolarHBondContact O-CB 3.45Å; Y86-F90 PolarHBondContact O-N 2.95Å; F90-V92 PolarHBondContact O-N 3.48Å |
| 91 | A | 88.9 | Confident | 91.7 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 135.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E87 K93 A100 | E87-A91 VanDerWaalsContact O-CA 3.31Å; E87-A91 WeakPolarHBondContact O-CA 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.3Å; A91-K93 PolarHBondContact O-N 3.4Å; A91-A100 HydrophobicContact CB-CB 3.54Å |
| 92 | V | 92.2 | Very high | 91.6 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 119.8 | 165.7 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | F90 I101 V114 | F90-V92 PolarHBondContact O-N 3.48Å; V92-I101 HydrophobicContact CG1-CD1 4.44Å; V92-I101 PolarHBondContact O-N 3.05Å; V92-V114 HydrophobicContact CG1-CB 4.18Å; V92-V114 HydrophobicContact CG1-CG2 4.08Å |
| 93 | K | 93.2 | Very high | 91.3 | Very high | 127 Ų | 127 | 76.8 Ų | 76.8 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -98.5 | 143.1 | -178 | -64.9 | -179.9 | 178.8 | -170.8 | 0 | 111.3 | A91 G95 F98 E99 | A91-K93 PolarHBondContact O-N 3.4Å; K93-G95 PolarHBondContact O-N 3.31Å; K93-F98 WeakPolarHBondContact CD-O 3.21Å; K93-E99 CarbonylContact C-O 3.59Å; K93-E99 WeakPolarHBondContact CA-O 3.13Å |
| 94 | C | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 128.1 | 173.4 | 176 | 0 | 0 | 0 | 0 | 110.5 | G96 C97 F98 E99 I101 V114 H116 C119 | C94-G96 PolarHBondContact O-N 2.99Å; C94-G96 VanDerWaalsContact O-N 3.14Å; C94-G96 PolarHBondContact SG-N 3.14Å; C94-C97 VanDerWaalsContact SG-SG 3.69Å; C94-F98 WeakPolarHBondContact O-CA 3.23Å; C94-F98 PolarHBondContact O-N 3.1Å; C94-E99 PolarHBondContact N-O 3.23Å; C94-I101 HydrophobicContact CB-CD1 4.16Å; C94-I101 HydrophobicContact CB-CG1 4.04Å; C94-V114 CarbonylContact C-O 3.51Å; C94-V114 VanDerWaalsContact CA-O 3.3Å; C94-V114 WeakPolarHBondContact CA-O 3.4Å; C94-H116 VanDerWaalsContact CB-CE1 3.42Å; C94-H116 WeakPolarHBondContact CB-CE1 3.21Å; C94-H116 WeakPolarHBondContact CB-ND1 3.22Å; C94-H116 PolarHBondContact SG-N 3.29Å; C94-H116 VanDerWaalsContact SG-N 3.4Å; C94-H116 PolarHBondContact SG-ND1 3.3Å; C94-C119 VanDerWaalsContact SG-CB 3.54Å |
| 95 | G | 93.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 74.1 Ų | 74.1 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -8.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | K93 V114 | K93-G95 PolarHBondContact O-N 3.31Å; G95-V114 PolarHBondContact N-O 2.87Å |
| 96 | G | 92.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 81.1 Ų | 81.1 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -55.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C94 | C94-G96 PolarHBondContact O-N 2.99Å; C94-G96 VanDerWaalsContact O-N 3.14Å; C94-G96 PolarHBondContact SG-N 3.14Å |
| 97 | C | 93.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 80.5 Ų | 80.5 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -4.6 | -178.1 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | C94 E99 H116 C119 | C94-C97 VanDerWaalsContact SG-SG 3.69Å; C97-E99 PolarHBondContact O-N 2.72Å; C97-H116 PolarHBondContact SG-CE1 3.34Å; C97-H116 PolarHBondContact SG-ND1 2.86Å; C97-C119 VanDerWaalsContact SG-SG 3.65Å |
| 98 | F | 92.2 | Very high | 92.2 | Very high | 149 Ų | 149 | 77.8 Ų | 77.8 | 65% | 0.654 | 43% | 0.426 | S | S | * | . | trans | 61.8 | 4.2 | -177.6 | -57.4 | -76.6 | 0 | 0 | 0 | 116.3 | K93 C94 | K93-F98 WeakPolarHBondContact CD-O 3.21Å; C94-F98 WeakPolarHBondContact O-CA 3.23Å; C94-F98 PolarHBondContact O-N 3.1Å | ||
| 99 | E | 94.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 80.6 Ų | 80.6 | 61% | 0.607 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -77 | 153.6 | 173 | -63.7 | -55.2 | 145.6 | 0 | 0 | 112 | K93 C94 C97 | K93-E99 CarbonylContact C-O 3.59Å; K93-E99 WeakPolarHBondContact CA-O 3.13Å; C94-E99 PolarHBondContact N-O 3.23Å; C97-E99 PolarHBondContact O-N 2.72Å |
| 100 | A | 92.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 76.5 Ų | 76.5 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 132.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A91 | A91-A100 HydrophobicContact CB-CB 3.54Å |
| 101 | I | 93.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 81.6 Ų | 81.6 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 131.3 | 176.4 | -54.3 | -177 | 0 | 0 | 0 | 108.9 | V92 C94 E105 V107 V114 | V92-I101 HydrophobicContact CG1-CD1 4.44Å; V92-I101 PolarHBondContact O-N 3.05Å; C94-I101 HydrophobicContact CB-CD1 4.16Å; C94-I101 HydrophobicContact CB-CG1 4.04Å; I101-E105 HydrophobicContact CG2-CB 4.17Å; I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CG2-CG1 3.37Å; I101-V114 HydrophobicContact CD1-CB 3.92Å; I101-V114 HydrophobicContact CD1-CG1 3.5Å |
| 102 | A | 90.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 35% | 0.347 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 144.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N104 E105 | A102-N104 WeakPolarHBondContact CB-OD1 3.47Å; A102-N104 PolarHBondContact O-N 3.31Å; A102-N104 VanDerWaalsContact O-N 3.11Å; A102-E105 HydrophobicContact CB-CB 4.13Å; A102-E105 WeakPolarHBondContact O-CB 3.14Å; A102-E105 PolarHBondContact O-N 2.89Å |
| 103 | P | 86 | Confident | 92.7 | Very high | 129 Ų | 129 | 88.4 Ų | 88.4 | 84% | 0.838 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.6 | -177.3 | -24.5 | 33.8 | 0 | 0 | 0 | 115.1 | ||
| 104 | N | 90.2 | Very high | 92.8 | Very high | 143 Ų | 143 | 83.1 Ų | 83.1 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.5 | 178.9 | 62.8 | -45 | 0 | 0 | 0 | 113.2 | A102 | A102-N104 WeakPolarHBondContact CB-OD1 3.47Å; A102-N104 PolarHBondContact O-N 3.31Å; A102-N104 VanDerWaalsContact O-N 3.11Å |
| 105 | E | 94.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 83.3 Ų | 83.3 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -81.9 | 140.1 | 179 | -164.7 | -176.2 | 163.4 | 0 | 0 | 111 | I101 A102 H116 | I101-E105 HydrophobicContact CG2-CB 4.17Å; A102-E105 HydrophobicContact CB-CB 4.13Å; A102-E105 WeakPolarHBondContact O-CB 3.14Å; A102-E105 PolarHBondContact O-N 2.89Å; E105-H116 VanDerWaalsContact CD-CD2 3.49Å; E105-H116 IonicContact OE1-CD2 2.72Å; E105-H116 PolarHBondContact OE1-CD2 2.79Å; E105-H116 IonicContact OE1-CG 2.76Å; E105-H116 IonicContact OE2-CD2 3.1Å; E105-H116 PolarHBondContact OE2-CD2 3.43Å; E105-H116 IonicContact OE2-NE2 2.72Å |
| 106 | F | 94.9 | Very high | 92.9 | Very high | 165 Ų | 165 | 83 Ų | 83 | 72% | 0.724 | 43% | 0.431 | S | S | * | . | trans | -70.3 | 138.1 | 170.8 | -68 | -69.6 | 0 | 0 | 0 | 110.7 | L117 | F106-L117 HydrophobicContact CB-CD1 3.73Å; F106-L117 HydrophobicContact CB-CD2 4.24Å; F106-L117 HydrophobicContact CB-CG 4.01Å | ||
| 107 | V | 95.3 | Very high | 93.1 | Very high | 45 Ų | 45 | 84.4 Ų | 84.4 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.7 | -177 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | I101 R109 V114 Y115 | I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CG2-CG1 3.37Å; V107-R109 HydrophobicContact CG2-CG 4.44Å; V107-V114 HydrophobicContact CB-CG1 3.47Å; V107-V114 VanDerWaalsContact CB-CG1 3.47Å; V107-V114 HydrophobicContact CG1-CG1 3.7Å; V107-V114 HydrophobicContact CG2-CG1 3.66Å; V107-Y115 WeakPolarHBondContact CA-O 3.36Å; V107-Y115 WeakPolarHBondContact CB-O 3.37Å |
| 108 | M | 95.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 86.1 Ų | 86.1 | 15% | 0.153 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | 163.2 | -65.4 | -61.1 | -78.3 | 0 | 0 | 109 | V114 Y115 L117 F120 | M108-V114 CarbonylContact O-C 3.54Å; M108-Y115 PolarHBondContact N-O 3.07Å; M108-Y115 PolarHBondContact O-N 2.98Å; M108-L117 HydrophobicContact CG-CD2 3.76Å; M108-L117 HydrophobicContact SD-CD2 4.07Å; M108-F120 HydrophobicContact CB-CB 3.79Å; M108-F120 HydrophobicContact CB-CD1 3.85Å; M108-F120 HydrophobicContact CB-CD2 3.54Å; M108-F120 HydrophobicContact CB-CE1 4.34Å; M108-F120 HydrophobicContact CB-CE2 4.06Å; M108-F120 HydrophobicContact CB-CG 3.43Å; M108-F120 VanDerWaalsContact CB-CG 3.43Å; M108-F120 HydrophobicContact CB-CZ 4.43Å; M108-F120 HydrophobicContact CE-CD1 3.61Å; M108-F120 HydrophobicContact CE-CE1 3.51Å; M108-F120 HydrophobicContact CE-CG 4.43Å; M108-F120 HydrophobicContact CE-CZ 4.25Å; M108-F120 HydrophobicContact CG-CB 3.69Å; M108-F120 HydrophobicContact CG-CD1 3.65Å; M108-F120 HydrophobicContact CG-CD2 4.22Å; M108-F120 HydrophobicContact CG-CE1 4.35Å; M108-F120 HydrophobicContact CG-CG 3.58Å; M108-F120 HydrophobicContact SD-CD1 4.5Å |
| 109 | R | 93.7 | Very high | 93.3 | Very high | 194 Ų | 194 | 80.4 Ų | 80.4 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.4 | 174.4 | -68.5 | -176 | 179.4 | -111 | 0.9 | 109 | V107 V114 | V107-R109 HydrophobicContact CG2-CG 4.44Å; R109-V114 HydrophobicContact CG-CG1 4.39Å; R109-V114 HydrophobicContact CG-CG2 4.29Å |
| 110 | A | 92.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 109.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | K112 S113 Y115 F120 F135 L137 L142 | A110-K112 PolarHBondContact O-N 2.85Å; A110-K112 VanDerWaalsContact O-N 3.14Å; A110-S113 PolarHBondContact N-O 2.78Å; A110-S113 PolarHBondContact O-N 3.46Å; A110-Y115 HydrophobicContact CB-CE2 4.11Å; A110-F120 HydrophobicContact CB-CE2 3.97Å; A110-F135 HydrophobicContact CB-CE2 4Å; A110-F135 HydrophobicContact CB-CZ 4.11Å; A110-L137 HydrophobicContact CB-CD2 3.93Å; A110-L142 HydrophobicContact CB-CD2 4.5Å |
| 111 | Q | 90.3 | Very high | 93.6 | Very high | 170 Ų | 170 | 73.5 Ų | 73.5 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -112.5 | -176.1 | -56.5 | 177.8 | -31.4 | 0 | 0 | 112.3 | L137 | Q111-L137 HydrophobicContact CB-CD2 4.44Å; Q111-L137 HydrophobicContact CG-CD2 4.31Å |
| 112 | K | 88.7 | Confident | 93.7 | Very high | 212 Ų | 212 | 72.6 Ų | 72.6 | 92% | 0.922 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -2.9 | -178 | -61.7 | 179.7 | -177.4 | 176.3 | 0 | 113.3 | A110 | A110-K112 PolarHBondContact O-N 2.85Å; A110-K112 VanDerWaalsContact O-N 3.14Å |
| 113 | S | 94 | Very high | 93.8 | Very high | 48 Ų | 48 | 71.2 Ų | 71.2 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.6 | -175.5 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | A110 | A110-S113 PolarHBondContact N-O 2.78Å; A110-S113 PolarHBondContact O-N 3.46Å |
| 114 | V | 95 | Very high | 94.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.6 | 177.7 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | V92 C94 G95 I101 V107 M108 R109 | V92-V114 HydrophobicContact CG1-CB 4.18Å; V92-V114 HydrophobicContact CG1-CG2 4.08Å; C94-V114 CarbonylContact C-O 3.51Å; C94-V114 VanDerWaalsContact CA-O 3.3Å; C94-V114 WeakPolarHBondContact CA-O 3.4Å; G95-V114 PolarHBondContact N-O 2.87Å; I101-V114 HydrophobicContact CD1-CB 3.92Å; I101-V114 HydrophobicContact CD1-CG1 3.5Å; V107-V114 HydrophobicContact CB-CG1 3.47Å; V107-V114 VanDerWaalsContact CB-CG1 3.47Å; V107-V114 HydrophobicContact CG1-CG1 3.7Å; V107-V114 HydrophobicContact CG2-CG1 3.66Å; M108-V114 CarbonylContact O-C 3.54Å; R109-V114 HydrophobicContact CG-CG1 4.39Å; R109-V114 HydrophobicContact CG-CG2 4.29Å |
| 115 | Y | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.8 | -177.8 | -60.9 | -99.2 | 0 | 0 | 0 | 109.9 | V107 M108 A110 F120 L142 | V107-Y115 WeakPolarHBondContact CA-O 3.36Å; V107-Y115 WeakPolarHBondContact CB-O 3.37Å; M108-Y115 PolarHBondContact N-O 3.07Å; M108-Y115 PolarHBondContact O-N 2.98Å; A110-Y115 HydrophobicContact CB-CE2 4.11Å; Y115-F120 AromaticContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CE2 4.31Å; Y115-F120 AromaticContact CG-CD2 3.97Å; Y115-F120 HydrophobicContact CG-CD2 3.97Å; Y115-L142 HydrophobicContact CD1-CD1 4.05Å; Y115-L142 HydrophobicContact CE1-CD1 3.95Å; Y115-L142 HydrophobicContact CG-CD1 4.4Å |
| 116 | H | 96.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 151.7 | 162.3 | -55.5 | 125.2 | 0 | 0 | 0 | 109.5 | C94 C97 E105 S118 C119 F120 | C94-H116 VanDerWaalsContact CB-CE1 3.42Å; C94-H116 WeakPolarHBondContact CB-CE1 3.21Å; C94-H116 WeakPolarHBondContact CB-ND1 3.22Å; C94-H116 PolarHBondContact SG-N 3.29Å; C94-H116 VanDerWaalsContact SG-N 3.4Å; C94-H116 PolarHBondContact SG-ND1 3.3Å; C97-H116 PolarHBondContact SG-CE1 3.34Å; C97-H116 PolarHBondContact SG-ND1 2.86Å; E105-H116 VanDerWaalsContact CD-CD2 3.49Å; E105-H116 IonicContact OE1-CD2 2.72Å; E105-H116 PolarHBondContact OE1-CD2 2.79Å; E105-H116 IonicContact OE1-CG 2.76Å; E105-H116 IonicContact OE2-CD2 3.1Å; E105-H116 PolarHBondContact OE2-CD2 3.43Å; E105-H116 IonicContact OE2-NE2 2.72Å; H116-S118 PolarHBondContact O-N 3.08Å; H116-C119 HydrophobicContact CB-CB 4.02Å; H116-C119 PolarHBondContact ND1-SG 2.77Å; H116-C119 VanDerWaalsContact ND1-SG 3.43Å; H116-C119 PolarHBondContact O-N 2.76Å; H116-C119 VanDerWaalsContact O-N 3.08Å; H116-F120 PolarHBondContact O-N 2.72Å |
| 117 | L | 94.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -44.2 | 175 | -63.5 | -172.3 | 0 | 0 | 0 | 111.1 | F106 M108 C119 F120 Q128 | F106-L117 HydrophobicContact CB-CD1 3.73Å; F106-L117 HydrophobicContact CB-CD2 4.24Å; F106-L117 HydrophobicContact CB-CG 4.01Å; M108-L117 HydrophobicContact CG-CD2 3.76Å; M108-L117 HydrophobicContact SD-CD2 4.07Å; L117-C119 VanDerWaalsContact C-N 3.34Å; L117-C119 PolarHBondContact O-N 3.49Å; L117-F120 PolarHBondContact O-N 3.26Å; L117-Q128 PolarHBondContact O-NE2 3.06Å |
| 118 | S | 95 | Very high | 94.4 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -29.2 | 179.8 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | H116 F120 | H116-S118 PolarHBondContact O-N 3.08Å; S118-F120 VanDerWaalsContact C-N 3.34Å |
| 119 | C | 95.5 | Very high | 94.4 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.7 | 178 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | C94 C97 H116 L117 C121 | C94-C119 VanDerWaalsContact SG-CB 3.54Å; C97-C119 VanDerWaalsContact SG-SG 3.65Å; H116-C119 HydrophobicContact CB-CB 4.02Å; H116-C119 PolarHBondContact ND1-SG 2.77Å; H116-C119 VanDerWaalsContact ND1-SG 3.43Å; H116-C119 PolarHBondContact O-N 2.76Å; H116-C119 VanDerWaalsContact O-N 3.08Å; L117-C119 VanDerWaalsContact C-N 3.34Å; L117-C119 PolarHBondContact O-N 3.49Å; C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 3.24Å |
| 120 | F | 96.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | trans | -83.7 | 71.9 | 178.2 | -161.9 | -105.2 | 0 | 0 | 0 | 110.2 | M108 A110 Y115 H116 L117 S118 L129 F135 L142 | M108-F120 HydrophobicContact CB-CB 3.79Å; M108-F120 HydrophobicContact CB-CD1 3.85Å; M108-F120 HydrophobicContact CB-CD2 3.54Å; M108-F120 HydrophobicContact CB-CE1 4.34Å; M108-F120 HydrophobicContact CB-CE2 4.06Å; M108-F120 HydrophobicContact CB-CG 3.43Å; M108-F120 VanDerWaalsContact CB-CG 3.43Å; M108-F120 HydrophobicContact CB-CZ 4.43Å; M108-F120 HydrophobicContact CE-CD1 3.61Å; M108-F120 HydrophobicContact CE-CE1 3.51Å; M108-F120 HydrophobicContact CE-CG 4.43Å; M108-F120 HydrophobicContact CE-CZ 4.25Å; M108-F120 HydrophobicContact CG-CB 3.69Å; M108-F120 HydrophobicContact CG-CD1 3.65Å; M108-F120 HydrophobicContact CG-CD2 4.22Å; M108-F120 HydrophobicContact CG-CE1 4.35Å; M108-F120 HydrophobicContact CG-CG 3.58Å; M108-F120 HydrophobicContact SD-CD1 4.5Å; A110-F120 HydrophobicContact CB-CE2 3.97Å; Y115-F120 AromaticContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CE2 4.31Å; Y115-F120 AromaticContact CG-CD2 3.97Å; Y115-F120 HydrophobicContact CG-CD2 3.97Å; H116-F120 PolarHBondContact O-N 2.72Å; L117-F120 PolarHBondContact O-N 3.26Å; S118-F120 VanDerWaalsContact C-N 3.34Å; F120-L129 HydrophobicContact CD1-CB 3.6Å; F120-L129 HydrophobicContact CD1-CD1 4.41Å; F120-L129 WeakPolarHBondContact CD1-O 3.3Å; F120-L129 HydrophobicContact CE1-CB 3.58Å; F120-L129 HydrophobicContact CE1-CD1 4.09Å; F120-L129 HydrophobicContact CE1-CG 4.5Å; F120-L129 HydrophobicContact CZ-CD1 4.49Å; F120-L129 PolarHBondContact O-N 3.44Å; F120-F135 HydrophobicContact CE1-CD1 4.31Å; F120-F135 HydrophobicContact CE1-CE1 4.26Å; F120-F135 HydrophobicContact CE2-CE2 4.33Å; F120-F135 HydrophobicContact CE2-CZ 4.38Å; F120-F135 HydrophobicContact CZ-CD1 4.03Å; F120-F135 HydrophobicContact CZ-CD2 4.09Å; F120-F135 AromaticContact CZ-CE1 3.72Å; F120-F135 HydrophobicContact CZ-CE1 3.72Å; F120-F135 AromaticContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CG 4.22Å; F120-F135 AromaticContact CZ-CZ 3.61Å; F120-F135 HydrophobicContact CZ-CZ 3.61Å; F120-L142 HydrophobicContact CD2-CD1 3.4Å; F120-L142 VanDerWaalsContact CD2-CD1 3.4Å; F120-L142 HydrophobicContact CD2-CD2 4.2Å; F120-L142 HydrophobicContact CD2-CG 4.46Å; F120-L142 HydrophobicContact CE2-CD1 3.65Å; F120-L142 HydrophobicContact CE2-CD2 3.52Å; F120-L142 HydrophobicContact CE2-CG 4.25Å; F120-L142 HydrophobicContact CG-CD1 4.14Å; F120-L142 HydrophobicContact CZ-CD2 4.03Å | ||
| 121 | C | 96.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -129.8 | 154.5 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | C119 C123 R127 L142 | C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 3.24Å; C121-C123 PolarHBondContact O-N 3.43Å; C121-R127 CarbonylContact C-O 3.59Å; C121-R127 WeakPolarHBondContact CA-O 3.43Å; C121-R127 WeakPolarHBondContact CB-O 3.36Å; C121-L142 WeakPolarHBondContact O-CB 3.36Å |
| 122 | C | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -64 | 132.9 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 110 | V124 C125 E126 R127 L142 C144 D147 | C122-V124 PolarHBondContact O-N 3.18Å; C122-V124 PolarHBondContact SG-N 3.35Å; C122-V124 VanDerWaalsContact SG-N 3.43Å; C122-C125 WeakPolarHBondContact CB-SG 3.48Å; C122-E126 WeakPolarHBondContact O-CA 3.36Å; C122-E126 PolarHBondContact O-N 3.07Å; C122-R127 PolarHBondContact N-O 3.12Å; C122-L142 CarbonylContact C-O 3.5Å; C122-L142 WeakPolarHBondContact CA-O 3.42Å; C122-C144 HydrophobicContact CB-CB 4.04Å; C122-C144 PolarHBondContact SG-N 3.4Å; C122-D147 PolarHBondContact SG-OD2 3.35Å | ||
| 123 | C | 93.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -9.3 | -176.3 | 92.6 | 0 | 0 | 0 | 0 | 112.7 | C121 Q141 L142 L143 T204 R208 | C121-C123 PolarHBondContact O-N 3.43Å; C123-Q141 HydrophobicContact CB-CB 4.48Å; C123-L142 VanDerWaalsContact CB-O 3.24Å; C123-L142 WeakPolarHBondContact CB-O 3.19Å; C123-L142 PolarHBondContact N-O 3.14Å; C123-L143 VanDerWaalsContact SG-CD2 3.59Å; C123-T204 VanDerWaalsContact SG-CG2 3.59Å; C123-R208 VanDerWaalsContact C-NH2 3.26Å; C123-R208 PolarHBondContact O-NE 3.17Å; C123-R208 PolarHBondContact O-NH2 2.64Å |
| 124 | V | 92.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -57 | -179.7 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | C122 L143 D147 T204 | C122-V124 PolarHBondContact O-N 3.18Å; C122-V124 PolarHBondContact SG-N 3.35Å; C122-V124 VanDerWaalsContact SG-N 3.43Å; V124-L143 HydrophobicContact CG2-CD2 3.54Å; V124-D147 HydrophobicContact CB-CB 3.98Å; V124-D147 WeakPolarHBondContact CB-OD2 3.17Å; V124-D147 HydrophobicContact CG1-CB 4.15Å; V124-D147 HydrophobicContact CG2-CB 4.33Å; V124-T204 HydrophobicContact CG2-CG2 3.45Å; V124-T204 VanDerWaalsContact CG2-CG2 3.45Å |
| 125 | C | 94.6 | Very high | 94.9 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 31% | 0.311 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.6 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | C122 R127 D147 | C122-C125 WeakPolarHBondContact CB-SG 3.48Å; C125-R127 PolarHBondContact O-N 2.92Å; C125-D147 WeakPolarHBondContact CB-OD2 3.43Å; C125-D147 PolarHBondContact N-OD2 2.92Å; C125-D147 PolarHBondContact SG-OD2 2.92Å |
| 126 | E | 93.2 | Very high | 94.8 | Very high | 133 Ų | 133 | 67 Ų | 67 | 62% | 0.621 | 36% | 0.358 | S | S | * | . | trans | 59.8 | 5.9 | -179.5 | -59 | 179.3 | -177.7 | 0 | 0 | 114.5 | C122 Q128 | C122-E126 WeakPolarHBondContact O-CA 3.36Å; C122-E126 PolarHBondContact O-N 3.07Å; E126-Q128 PolarHBondContact O-N 3.29Å | ||
| 127 | R | 95.1 | Very high | 94.7 | Very high | 119 Ų | 119 | 67.6 Ų | 67.6 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 129.2 | 175.9 | 177 | -176.5 | 148.3 | -140.7 | -1.1 | 110.9 | C121 C122 C125 L129 D133 | C121-R127 CarbonylContact C-O 3.59Å; C121-R127 WeakPolarHBondContact CA-O 3.43Å; C121-R127 WeakPolarHBondContact CB-O 3.36Å; C122-R127 PolarHBondContact N-O 3.12Å; C125-R127 PolarHBondContact O-N 2.92Å; R127-L129 PolarHBondContact O-N 2.86Å; R127-D133 IonicContact CZ-OD1 3.66Å; R127-D133 IonicContact CZ-OD2 2.7Å; R127-D133 IonicContact NH2-OD1 3.68Å; R127-D133 PolarHBondContact NH2-OD1 3.22Å; R127-D133 IonicContact NH2-OD2 3.32Å; R127-D133 PolarHBondContact NH2-OD2 2.87Å |
| 128 | Q | 96.2 | Very high | 94.4 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 125.5 | 170.4 | -167.6 | 177.9 | 14.2 | 0 | 0 | 110.7 | L117 E126 | L117-Q128 PolarHBondContact O-NE2 3.06Å; E126-Q128 PolarHBondContact O-N 3.29Å |
| 129 | L | 96 | Very high | 94 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 127.9 | -179.3 | -62.3 | 166.1 | 0 | 0 | 0 | 109.1 | F120 R127 D133 F135 L142 C144 | F120-L129 HydrophobicContact CD1-CB 3.6Å; F120-L129 HydrophobicContact CD1-CD1 4.41Å; F120-L129 WeakPolarHBondContact CD1-O 3.3Å; F120-L129 HydrophobicContact CE1-CB 3.58Å; F120-L129 HydrophobicContact CE1-CD1 4.09Å; F120-L129 HydrophobicContact CE1-CG 4.5Å; F120-L129 HydrophobicContact CZ-CD1 4.49Å; F120-L129 PolarHBondContact O-N 3.44Å; R127-L129 PolarHBondContact O-N 2.86Å; L129-D133 HydrophobicContact CD2-CB 4.43Å; L129-F135 HydrophobicContact CD1-CB 3.71Å; L129-F135 HydrophobicContact CD1-CG 4.2Å; L129-F135 HydrophobicContact CD2-CB 4.37Å; L129-L142 HydrophobicContact CD1-CB 4.29Å; L129-C144 HydrophobicContact CD2-CB 3.7Å |
| 130 | Q | 93.5 | Very high | 93.6 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 61% | 0.612 | 38% | 0.381 | S | S | * | . | trans | -104.7 | 173.1 | -176.8 | -63.4 | -168.8 | -12.8 | 0 | 0 | 112.2 | G132 D133 | Q130-G132 PolarHBondContact O-N 2.82Å; Q130-D133 PolarHBondContact N-OD2 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.44Å; Q130-D133 PolarHBondContact O-N 3.15Å; Q130-D133 VanDerWaalsContact O-N 3.08Å | ||
| 131 | K | 90.8 | Very high | 93.4 | Very high | 193 Ų | 193 | 74 Ų | 74 | 84% | 0.839 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 126.4 | 173.7 | -65.4 | -178.7 | -178.5 | 179.7 | 0 | 109.3 | ||
| 132 | G | 93.1 | Very high | 93.3 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 85% | 0.845 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -14 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q130 | Q130-G132 PolarHBondContact O-N 2.82Š|
| 133 | D | 94.7 | Very high | 93.3 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -73.3 | 135.4 | 173.1 | -74.7 | -34.4 | 0 | 0 | 0 | 111.6 | R127 L129 Q130 | R127-D133 IonicContact CZ-OD1 3.66Å; R127-D133 IonicContact CZ-OD2 2.7Å; R127-D133 IonicContact NH2-OD1 3.68Å; R127-D133 PolarHBondContact NH2-OD1 3.22Å; R127-D133 IonicContact NH2-OD2 3.32Å; R127-D133 PolarHBondContact NH2-OD2 2.87Å; L129-D133 HydrophobicContact CD2-CB 4.43Å; Q130-D133 PolarHBondContact N-OD2 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.44Å; Q130-D133 PolarHBondContact O-N 3.15Å; Q130-D133 VanDerWaalsContact O-N 3.08Å | ||
| 134 | E | 95.7 | Very high | 93.4 | Very high | 122 Ų | 122 | 72.2 Ų | 72.2 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | trans | -79.5 | 128.7 | 171.5 | -66.8 | 173.3 | 88.8 | 0 | 0 | 110.4 | K145 | E134-K145 HydrophobicContact CB-CB 3.84Å; E134-K145 HydrophobicContact CB-CD 3.87Å; E134-K145 HydrophobicContact CB-CG 4.44Å; E134-K145 VanDerWaalsContact CD-CD 3.46Å; E134-K145 VanDerWaalsContact CD-NZ 3.3Å; E134-K145 HydrophobicContact CG-CD 4.32Å; E134-K145 PolarHBondContact O-N 3.33Å; E134-K145 IonicContact OE1-NZ 3.52Å; E134-K145 PolarHBondContact OE1-NZ 3.08Å; E134-K145 VanDerWaalsContact OE1-NZ 3.1Å; E134-K145 WeakPolarHBondContact OE2-CD 3.3Å; E134-K145 IonicContact OE2-NZ 3.98Å; E134-K145 PolarHBondContact OE2-NZ 3.23Å | ||
| 135 | F | 96.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 73 Ų | 73 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.9 | 179.4 | 74.6 | -86.3 | 0 | 0 | 0 | 111.7 | A110 F120 L129 L137 L142 L143 | A110-F135 HydrophobicContact CB-CE2 4Å; A110-F135 HydrophobicContact CB-CZ 4.11Å; F120-F135 HydrophobicContact CE1-CD1 4.31Å; F120-F135 HydrophobicContact CE1-CE1 4.26Å; F120-F135 HydrophobicContact CE2-CE2 4.33Å; F120-F135 HydrophobicContact CE2-CZ 4.38Å; F120-F135 HydrophobicContact CZ-CD1 4.03Å; F120-F135 HydrophobicContact CZ-CD2 4.09Å; F120-F135 AromaticContact CZ-CE1 3.72Å; F120-F135 HydrophobicContact CZ-CE1 3.72Å; F120-F135 AromaticContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CG 4.22Å; F120-F135 AromaticContact CZ-CZ 3.61Å; F120-F135 HydrophobicContact CZ-CZ 3.61Å; L129-F135 HydrophobicContact CD1-CB 3.71Å; L129-F135 HydrophobicContact CD1-CG 4.2Å; L129-F135 HydrophobicContact CD2-CB 4.37Å; F135-L137 HydrophobicContact CE2-CB 4.5Å; F135-L142 HydrophobicContact CD2-CD2 3.78Å; F135-L142 HydrophobicContact CE2-CD2 3.87Å; F135-L143 CarbonylContact C-O 3.18Å; F135-L143 WeakPolarHBondContact CA-O 3.44Å; F135-L143 WeakPolarHBondContact CB-O 3.47Å |
| 136 | V | 94.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.5 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | L143 Y148 | V136-L143 PolarHBondContact N-O 3.17Å; V136-L143 PolarHBondContact O-N 3.47Å; V136-Y148 HydrophobicContact CB-CD2 3.9Å; V136-Y148 HydrophobicContact CB-CE2 4.25Å; V136-Y148 HydrophobicContact CB-CG 4.07Å; V136-Y148 HydrophobicContact CG1-CD2 3.91Å; V136-Y148 HydrophobicContact CG1-CE2 3.79Å; V136-Y148 HydrophobicContact CG2-CD1 3.73Å; V136-Y148 HydrophobicContact CG2-CD2 3.93Å; V136-Y148 HydrophobicContact CG2-CE1 4.02Å; V136-Y148 HydrophobicContact CG2-CE2 4.21Å; V136-Y148 HydrophobicContact CG2-CG 3.67Å |
| 137 | L | 94 | Very high | 93.7 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 104.6 | 171.2 | -178.8 | 59.9 | 0 | 0 | 0 | 109.1 | A110 Q111 F135 Q141 L142 | A110-L137 HydrophobicContact CB-CD2 3.93Å; Q111-L137 HydrophobicContact CB-CD2 4.44Å; Q111-L137 HydrophobicContact CG-CD2 4.31Å; F135-L137 HydrophobicContact CE2-CB 4.5Å; L137-Q141 WeakPolarHBondContact CA-O 3.12Å; L137-L142 HydrophobicContact CB-CD2 4.37Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4.13Å |
| 138 | K | 89.2 | Confident | 93.7 | Very high | 86 Ų | 86 | 65 Ų | 65 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.6 | -179.6 | -176.8 | -176.4 | 177.4 | -174.9 | 0 | 109.7 | G140 Q141 L143 | K138-G140 PolarHBondContact O-N 3.33Å; K138-G140 VanDerWaalsContact O-N 3.12Å; K138-Q141 PolarHBondContact N-O 3.26Å; K138-Q141 WeakPolarHBondContact O-CA 3.44Å; K138-Q141 VanDerWaalsContact O-CB 3.3Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 3.43Å; K138-L143 HydrophobicContact CB-CD1 4.37Å |
| 139 | E | 86.4 | Confident | 93.6 | Very high | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.2 | 178.1 | -61.8 | 169.8 | -157.3 | 0 | 0 | 113.7 | Q141 | E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 2.85Å |
| 140 | G | 87.9 | Confident | 93.5 | Very high | 50 Ų | 50 | 70.1 Ų | 70.1 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -0.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K138 | K138-G140 PolarHBondContact O-N 3.33Å; K138-G140 VanDerWaalsContact O-N 3.12Å |
| 141 | Q | 91.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128 | 176.7 | -55.4 | -178 | 1.2 | 0 | 0 | 111.1 | C123 L137 K138 E139 | C123-Q141 HydrophobicContact CB-CB 4.48Å; L137-Q141 WeakPolarHBondContact CA-O 3.12Å; K138-Q141 PolarHBondContact N-O 3.26Å; K138-Q141 WeakPolarHBondContact O-CA 3.44Å; K138-Q141 VanDerWaalsContact O-CB 3.3Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 3.43Å; E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 2.85Å |
| 142 | L | 94.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.2 | 174.9 | -67.9 | 165.9 | 0 | 0 | 0 | 109.9 | A110 Y115 F120 C121 C122 C123 L129 F135 L137 | A110-L142 HydrophobicContact CB-CD2 4.5Å; Y115-L142 HydrophobicContact CD1-CD1 4.05Å; Y115-L142 HydrophobicContact CE1-CD1 3.95Å; Y115-L142 HydrophobicContact CG-CD1 4.4Å; F120-L142 HydrophobicContact CD2-CD1 3.4Å; F120-L142 VanDerWaalsContact CD2-CD1 3.4Å; F120-L142 HydrophobicContact CD2-CD2 4.2Å; F120-L142 HydrophobicContact CD2-CG 4.46Å; F120-L142 HydrophobicContact CE2-CD1 3.65Å; F120-L142 HydrophobicContact CE2-CD2 3.52Å; F120-L142 HydrophobicContact CE2-CG 4.25Å; F120-L142 HydrophobicContact CG-CD1 4.14Å; F120-L142 HydrophobicContact CZ-CD2 4.03Å; C121-L142 WeakPolarHBondContact O-CB 3.36Å; C122-L142 CarbonylContact C-O 3.5Å; C122-L142 WeakPolarHBondContact CA-O 3.42Å; C123-L142 VanDerWaalsContact CB-O 3.24Å; C123-L142 WeakPolarHBondContact CB-O 3.19Å; C123-L142 PolarHBondContact N-O 3.14Å; L129-L142 HydrophobicContact CD1-CB 4.29Å; F135-L142 HydrophobicContact CD2-CD2 3.78Å; F135-L142 HydrophobicContact CE2-CD2 3.87Å; L137-L142 HydrophobicContact CB-CD2 4.37Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4.13Å |
| 143 | L | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131 | 177.8 | -70.8 | 154.8 | 0 | 0 | 0 | 108.7 | C123 V124 F135 V136 K138 Y148 T204 | C123-L143 VanDerWaalsContact SG-CD2 3.59Å; V124-L143 HydrophobicContact CG2-CD2 3.54Å; F135-L143 CarbonylContact C-O 3.18Å; F135-L143 WeakPolarHBondContact CA-O 3.44Å; F135-L143 WeakPolarHBondContact CB-O 3.47Å; V136-L143 PolarHBondContact N-O 3.17Å; V136-L143 PolarHBondContact O-N 3.47Å; K138-L143 HydrophobicContact CB-CD1 4.37Å; L143-Y148 HydrophobicContact CD1-CD2 4.27Å; L143-T204 HydrophobicContact CD2-CG2 4.38Å |
| 144 | C | 96.4 | Very high | 93 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.054 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 155.5 | 169.8 | 77 | 0 | 0 | 0 | 0 | 109.5 | C122 L129 G146 D147 Y148 | C122-C144 HydrophobicContact CB-CB 4.04Å; C122-C144 PolarHBondContact SG-N 3.4Å; L129-C144 HydrophobicContact CD2-CB 3.7Å; C144-G146 VanDerWaalsContact C-N 3.26Å; C144-G146 PolarHBondContact O-N 3.45Å; C144-D147 PolarHBondContact O-N 3.03Å; C144-D147 VanDerWaalsContact SG-CG 3.54Å; C144-D147 PolarHBondContact SG-N 3.44Å; C144-D147 PolarHBondContact SG-OD2 2.82Å; C144-Y148 WeakPolarHBondContact O-CB 3.4Å; C144-Y148 PolarHBondContact O-N 3.04Å |
| 145 | K | 95.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 63 Ų | 63 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -48.1 | -48 | 177.3 | 176.3 | 175 | -180 | 177.1 | 0 | 113.2 | E134 D147 Y148 E149 | E134-K145 HydrophobicContact CB-CB 3.84Å; E134-K145 HydrophobicContact CB-CD 3.87Å; E134-K145 HydrophobicContact CB-CG 4.44Å; E134-K145 VanDerWaalsContact CD-CD 3.46Å; E134-K145 VanDerWaalsContact CD-NZ 3.3Å; E134-K145 HydrophobicContact CG-CD 4.32Å; E134-K145 PolarHBondContact O-N 3.33Å; E134-K145 IonicContact OE1-NZ 3.52Å; E134-K145 PolarHBondContact OE1-NZ 3.08Å; E134-K145 VanDerWaalsContact OE1-NZ 3.1Å; E134-K145 WeakPolarHBondContact OE2-CD 3.3Å; E134-K145 IonicContact OE2-NZ 3.98Å; E134-K145 PolarHBondContact OE2-NZ 3.23Å; K145-D147 PolarHBondContact O-N 3.03Å; K145-Y148 PolarHBondContact O-N 2.81Å; K145-E149 WeakPolarHBondContact CE-OE1 3.45Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.44Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.42Å |
| 146 | G | 95.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C144 K150 | C144-G146 VanDerWaalsContact C-N 3.26Å; C144-G146 PolarHBondContact O-N 3.45Å; G146-K150 WeakPolarHBondContact O-CB 3.44Å; G146-K150 WeakPolarHBondContact O-CD 3.41Å; G146-K150 WeakPolarHBondContact O-CG 3.24Å; G146-K150 PolarHBondContact O-N 2.69Å; G146-K150 VanDerWaalsContact O-N 3.08Å |
| 147 | D | 95.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.107 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.2 | -33.1 | 178.8 | -69.9 | -31.1 | 0 | 0 | 0 | 112 | C122 V124 C125 C144 K145 E151 | C122-D147 PolarHBondContact SG-OD2 3.35Å; V124-D147 HydrophobicContact CB-CB 3.98Å; V124-D147 WeakPolarHBondContact CB-OD2 3.17Å; V124-D147 HydrophobicContact CG1-CB 4.15Å; V124-D147 HydrophobicContact CG2-CB 4.33Å; C125-D147 WeakPolarHBondContact CB-OD2 3.43Å; C125-D147 PolarHBondContact N-OD2 2.92Å; C125-D147 PolarHBondContact SG-OD2 2.92Å; C144-D147 PolarHBondContact O-N 3.03Å; C144-D147 VanDerWaalsContact SG-CG 3.54Å; C144-D147 PolarHBondContact SG-N 3.44Å; C144-D147 PolarHBondContact SG-OD2 2.82Å; K145-D147 PolarHBondContact O-N 3.03Å; D147-E151 VanDerWaalsContact O-CB 3.31Å; D147-E151 WeakPolarHBondContact O-CB 3.31Å; D147-E151 PolarHBondContact O-N 2.9Å |
| 148 | Y | 95.3 | Very high | 90.9 | Very high | 81 Ų | 81 | 69 Ų | 69 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.1 | 178.4 | -102.9 | 0 | 0 | 0 | 111.8 | V136 L143 C144 K145 E151 R152 | V136-Y148 HydrophobicContact CB-CD2 3.9Å; V136-Y148 HydrophobicContact CB-CE2 4.25Å; V136-Y148 HydrophobicContact CB-CG 4.07Å; V136-Y148 HydrophobicContact CG1-CD2 3.91Å; V136-Y148 HydrophobicContact CG1-CE2 3.79Å; V136-Y148 HydrophobicContact CG2-CD1 3.73Å; V136-Y148 HydrophobicContact CG2-CD2 3.93Å; V136-Y148 HydrophobicContact CG2-CE1 4.02Å; V136-Y148 HydrophobicContact CG2-CE2 4.21Å; V136-Y148 HydrophobicContact CG2-CG 3.67Å; L143-Y148 HydrophobicContact CD1-CD2 4.27Å; C144-Y148 WeakPolarHBondContact O-CB 3.4Å; C144-Y148 PolarHBondContact O-N 3.04Å; K145-Y148 PolarHBondContact O-N 2.81Å; Y148-E151 PolarHBondContact O-N 3.34Å; Y148-R152 WeakPolarHBondContact O-CB 3.1Å; Y148-R152 PolarHBondContact O-N 3.08Å |
| 149 | E | 95.2 | Very high | 89.6 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 177.9 | -74.4 | 173.8 | 172.4 | 0 | 0 | 111.6 | K145 E151 R152 E153 | K145-E149 WeakPolarHBondContact CE-OE1 3.45Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.44Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.42Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.43Å; E149-R152 PolarHBondContact O-N 3.22Å; E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 2.9Å |
| 150 | K | 93.1 | Very high | 88.5 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 174.9 | -73.6 | 170.1 | -169.1 | 170.4 | 0 | 111.9 | G146 L154 | G146-K150 WeakPolarHBondContact O-CB 3.44Å; G146-K150 WeakPolarHBondContact O-CD 3.41Å; G146-K150 WeakPolarHBondContact O-CG 3.24Å; G146-K150 PolarHBondContact O-N 2.69Å; G146-K150 VanDerWaalsContact O-N 3.08Å; K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 3.4Å |
| 151 | E | 90.8 | Very high | 86.6 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 8% | 0.075 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.6 | 178 | 172.6 | -114.3 | 0 | 0 | 110.7 | D147 Y148 E149 E153 L154 L155 T204 R207 | D147-E151 VanDerWaalsContact O-CB 3.31Å; D147-E151 WeakPolarHBondContact O-CB 3.31Å; D147-E151 PolarHBondContact O-N 2.9Å; Y148-E151 PolarHBondContact O-N 3.34Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.43Å; E151-E153 PolarHBondContact O-N 2.89Å; E151-L154 PolarHBondContact O-N 2.76Å; E151-L155 HydrophobicContact CG-CD1 3.59Å; E151-L155 WeakPolarHBondContact O-CD1 3.12Å; E151-L155 PolarHBondContact O-N 2.63Å; E151-T204 WeakPolarHBondContact OE1-CB 3.11Å; E151-T204 PolarHBondContact OE1-N 3.48Å; E151-T204 PolarHBondContact OE1-OG1 2.85Å; E151-R207 IonicContact OE1-NH2 4Å |
| 152 | R | 91.5 | Very high | 84.5 | Confident | 162 Ų | 162 | 72.1 Ų | 72.1 | 61% | 0.611 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 179.9 | -174.1 | -173.2 | 69 | 119.2 | 1.1 | 111.8 | Y148 E149 L155 S156 | Y148-R152 WeakPolarHBondContact O-CB 3.1Å; Y148-R152 PolarHBondContact O-N 3.08Å; E149-R152 PolarHBondContact O-N 3.22Å; R152-L155 PolarHBondContact O-N 3.05Å; R152-S156 PolarHBondContact O-N 3.34Å |
| 153 | E | 92.9 | Very high | 82.1 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 58% | 0.575 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.5 | -47.4 | 176.1 | -177 | 178.1 | -165.1 | 0 | 0 | 110.8 | E149 E151 L155 S156 L157 | E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 2.9Å; E151-E153 PolarHBondContact O-N 2.89Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.96Å; E153-S156 WeakPolarHBondContact O-CB 3.18Å; E153-S156 PolarHBondContact O-N 3.39Å; E153-S156 PolarHBondContact O-OG 3.22Å; E153-L157 PolarHBondContact O-N 3.26Å |
| 154 | L | 87.7 | Confident | 79.9 | Confident | 62 Ų | 62 | 84 Ų | 84 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -35.6 | -179.6 | -172.9 | 64.5 | 0 | 0 | 0 | 112.8 | K150 E151 V158 I201 | K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 3.4Å; E151-L154 PolarHBondContact O-N 2.76Å; L154-V158 WeakPolarHBondContact O-CG2 3.06Å; L154-I201 HydrophobicContact CD1-CD1 4.19Å; L154-I201 HydrophobicContact CD1-CG1 4.34Å; L154-I201 HydrophobicContact CD1-CG2 4.2Å; L154-I201 HydrophobicContact CD2-CG2 3.56Å; L154-I201 HydrophobicContact CG-CG2 3.54Å |
| 155 | L | 87 | Confident | 77.5 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.6 | -32 | 173 | -90.1 | 78.2 | 0 | 0 | 0 | 112.4 | E151 R152 E153 L157 V158 S159 | E151-L155 HydrophobicContact CG-CD1 3.59Å; E151-L155 WeakPolarHBondContact O-CD1 3.12Å; E151-L155 PolarHBondContact O-N 2.63Å; R152-L155 PolarHBondContact O-N 3.05Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.96Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 2.88Å; L155-V158 PolarHBondContact O-N 3.48Å; L155-S159 PolarHBondContact O-N 3.27Å |
| 156 | S | 88.7 | Confident | 75.2 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.1 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | R152 E153 V158 S159 | R152-S156 PolarHBondContact O-N 3.34Å; E153-S156 WeakPolarHBondContact O-CB 3.18Å; E153-S156 PolarHBondContact O-N 3.39Å; E153-S156 PolarHBondContact O-OG 3.22Å; S156-V158 PolarHBondContact O-N 2.9Å; S156-S159 PolarHBondContact O-N 2.97Å |
| 157 | L | 84 | Confident | 72.6 | Confident | 137 Ų | 137 | 95.5 Ų | 95.5 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -14.5 | 177.6 | -63.8 | 175.8 | 0 | 0 | 0 | 114 | E153 L155 | E153-L157 PolarHBondContact O-N 3.26Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 2.88Å |
| 158 | V | 76.4 | Confident | 70.5 | Confident | 69 Ų | 69 | 99.9 Ų | 99.9 | 42% | 0.418 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -21 | -178 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | L154 L155 S156 P160 I201 | L154-V158 WeakPolarHBondContact O-CG2 3.06Å; L155-V158 PolarHBondContact O-N 3.48Å; S156-V158 PolarHBondContact O-N 2.9Å; V158-P160 WeakPolarHBondContact O-CD 3.43Å; V158-I201 HydrophobicContact CG2-CB 3.74Å; V158-I201 HydrophobicContact CG2-CG1 3.33Å; V158-I201 HydrophobicContact CG2-CG2 4.49Å |
| 159 | S | 61.9 | Low | 68.2 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -57.9 | 112.8 | 176.9 | -68.9 | 0 | 0 | 0 | 0 | 107.6 | L155 S156 A161 | L155-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-N 2.97Å; S159-A161 PolarHBondContact O-N 2.93Å |
| 160 | P | 61.6 | Low | 65.5 | Low | 130 Ų | 130 | 103.6 Ų | 103.6 | 84% | 0.844 | 61% | 0.613 | S | S | * | * | trans | -76 | 73.4 | 174.2 | 22.6 | -11.8 | 0 | 0 | 0 | 105.9 | V158 A162 | V158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-A162 PolarHBondContact O-N 2.88Å; P160-A162 VanDerWaalsContact O-N 3.09Å | ||
| 161 | A | 49.9 | Very low | 63.6 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | trans | -58.2 | 116.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | S159 S163 | S159-A161 PolarHBondContact O-N 2.93Å; A161-S163 PolarHBondContact O-N 2.57Å | ||
| 162 | A | 45 | Very low | 61.1 | Low | 91 Ų | 91 | 113.9 Ų | 113.9 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | trans | -51.5 | 96.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P160 D164 | P160-A162 PolarHBondContact O-N 2.88Å; P160-A162 VanDerWaalsContact O-N 3.09Å; A162-D164 PolarHBondContact O-N 3.49Å | ||
| 163 | S | 46 | Very low | 58.5 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 90% | 0.902 | 67% | 0.67 | S | S | * | * | trans | -71.4 | 72.1 | 150.9 | -71.6 | 0 | 0 | 0 | 0 | 106.2 | A161 | A161-S163 PolarHBondContact O-N 2.57Š| ||
| 164 | D | 47.9 | Very low | 56.1 | Low | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | trans | -57.9 | 145.1 | 146 | -179 | 17.9 | 0 | 0 | 0 | 108.9 | A162 | A162-D164 PolarHBondContact O-N 3.49Š| ||
| 165 | S | 47.7 | Very low | 53.3 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | 64.1 | 93.1 | 163.4 | -16.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 166 | G | 45.6 | Very low | 51 | Low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -144.3 | 59.8 | 157 | 0 | 0 | 0 | 0 | 0 | 109.8 | S168 | G166-S168 PolarHBondContact O-N 3.33Å; G166-S168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | K | 41.7 | Very low | 48.1 | Very low | 176 Ų | 176 | 123.3 Ų | 123.3 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -66.4 | 95.1 | 169.9 | -173.7 | 173.4 | 166 | 60.3 | 0 | 106.7 | D169 | K167-D169 IonicContact NZ-OD1 3.6Š| ||
| 168 | S | 51.7 | Low | 46 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -93.5 | 108.6 | 160.2 | 66.5 | 0 | 0 | 0 | 0 | 106.4 | G166 | G166-S168 PolarHBondContact O-N 3.33Å; G166-S168 VanDerWaalsContact O-N 3.08Å | ||
| 169 | D | 46.9 | Very low | 44 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | trans | -54.8 | 147.7 | 178 | -79.8 | -57.8 | 0 | 0 | 0 | 112.1 | K167 | K167-D169 IonicContact NZ-OD1 3.6Š| ||
| 170 | D | 38.1 | Very low | 42.8 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -44.1 | 131.9 | 167.4 | -67.8 | -93.9 | 0 | 0 | 0 | 112.5 | ||||
| 171 | E | 51.9 | Low | 41.7 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -134.3 | 111.8 | 148.6 | -68.2 | -67.9 | 147 | 0 | 0 | 107.2 | ||||
| 172 | E | 39.1 | Very low | 41.2 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -68 | 175.1 | 175.1 | 56.4 | -131.4 | 89 | 0 | 0 | 114.3 | ||||
| 173 | S | 37.6 | Very low | 40.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 92 | 130 | 167.9 | -145 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 174 | L | 41.2 | Very low | 40.2 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | cis | -156.8 | 133.4 | 14.1 | -167.9 | 63.7 | 0 | 0 | 0 | 108.8 | ||||
| 175 | C | 29.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 133.9 | 166.7 | 42 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 176 | K | 39.2 | Very low | 39.3 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -145 | 110.6 | 158.5 | -110.3 | 179.5 | 176.5 | -178.4 | 0 | 111.7 | ||||
| 177 | S | 27.1 | Very low | 39 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 146.6 | 171.5 | -45.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 178 | A | 41.1 | Very low | 38.8 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -169.2 | 113.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | H | 34.3 | Very low | 38.6 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | 37 | 114.5 | 146.5 | -65.8 | -75.6 | 0 | 0 | 0 | 121.7 | ||||
| 180 | G | 36.9 | Very low | 38.6 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -158.5 | 99.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G182 | G180-G182 PolarHBondContact O-N 3.48Å; G180-G182 VanDerWaalsContact O-N 3.16Å | ||
| 181 | A | 36.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 100% | 1 | 81% | 0.812 | S | S | * | * | trans | -71.6 | 101.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | G | 38.9 | Very low | 39.9 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -132.5 | 109.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G180 G184 | G180-G182 PolarHBondContact O-N 3.48Å; G180-G182 VanDerWaalsContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 2.98Å | ||
| 183 | K | 33.6 | Very low | 41 | Very low | 225 Ų | 225 | 137 Ų | 137 | 98% | 0.978 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 103.5 | 179.4 | -170.9 | 177.5 | -179.7 | -179.1 | 0 | 109.6 | ||||
| 184 | G | 37.3 | Very low | 42.6 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -170.9 | 89.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G182 A186 | G182-G184 PolarHBondContact O-N 2.98Å; G184-A186 PolarHBondContact O-N 2.92Å | ||
| 185 | T | 34.7 | Very low | 44.2 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -66.6 | 116 | 174.7 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | A | 42.2 | Very low | 46.6 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | 169 | 92.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G184 | G184-A186 PolarHBondContact O-N 2.92Š| ||
| 187 | E | 38.5 | Very low | 48.5 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | 31.8 | 96.3 | 143.9 | -60.4 | -72.4 | 109.4 | 0 | 0 | 117.2 | G189 | E187-G189 PolarHBondContact O-N 2.83Š| ||
| 188 | E | 38.8 | Very low | 51.2 | Low | 203 Ų | 203 | 144.4 Ų | 144.4 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | trans | -62.7 | 86.3 | 157.1 | -83 | -144 | 124.5 | 0 | 0 | 109.6 | K190 | E188-K190 PolarHBondContact O-N 3.18Š| ||
| 189 | G | 47.5 | Very low | 53.3 | Low | 59 Ų | 59 | 150.3 Ų | 150.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | -64.3 | 98.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E187 D191 | E187-G189 PolarHBondContact O-N 2.83Å; G189-D191 PolarHBondContact O-N 3.46Å | ||
| 190 | K | 47.1 | Very low | 55.9 | Low | 165 Ų | 165 | 144.6 Ų | 144.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -31.2 | 97.5 | 159.4 | -173.2 | 175.9 | -177.6 | 177.1 | 0 | 109.7 | E188 H192 | E188-K190 PolarHBondContact O-N 3.18Å; K190-H192 PolarHBondContact O-CD2 3.25Å; K190-H192 PolarHBondContact O-N 2.92Å | ||
| 191 | D | 51.8 | Low | 58.5 | Low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -65 | 83.3 | 178.9 | -100.1 | -59.7 | 0 | 0 | 0 | 108.2 | G189 K193 | G189-D191 PolarHBondContact O-N 3.46Å; D191-K193 PolarHBondContact O-N 3.36Å | ||
| 192 | H | 65.5 | Low | 61.1 | Low | 149 Ų | 149 | 138.3 Ų | 138.3 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | -61.6 | 87.8 | 162.2 | -77.8 | -71.9 | 0 | 0 | 0 | 106.3 | K190 R194 | K190-H192 PolarHBondContact O-CD2 3.25Å; K190-H192 PolarHBondContact O-N 2.92Å; H192-R194 VanDerWaalsContact C-N 3.29Å; H192-R194 PolarHBondContact O-N 2.96Å | ||
| 193 | K | 61.4 | Low | 63.6 | Low | 191 Ų | 191 | 136.8 Ų | 136.8 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | -46.8 | 95.1 | 176.3 | -73.1 | 178.3 | 178.3 | 179 | 0 | 108.2 | D191 P195 | D191-K193 PolarHBondContact O-N 3.36Å; K193-P195 WeakPolarHBondContact O-CD 3.44Å; K193-P195 VanDerWaalsContact O-N 3.13Å | ||
| 194 | R | 70.1 | Confident | 66.3 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.4 | -178.6 | -162.1 | -177.5 | -164.9 | -68.1 | -3 | 106.8 | H192 K196 | H192-R194 VanDerWaalsContact C-N 3.29Å; H192-R194 PolarHBondContact O-N 2.96Å; R194-K196 PolarHBondContact O-N 3.43Å; R194-K196 VanDerWaalsContact O-N 3.09Å |
| 195 | P | 75.7 | Confident | 68.9 | Low | 110 Ų | 110 | 128.1 Ų | 128.1 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 123.6 | -179.4 | -29.7 | 35.1 | 0 | 0 | 0 | 110 | K193 R197 | K193-P195 WeakPolarHBondContact O-CD 3.44Å; K193-P195 VanDerWaalsContact O-N 3.13Å; P195-R197 PolarHBondContact O-N 3.32Å |
| 196 | K | 79.8 | Confident | 71.8 | Confident | 205 Ų | 205 | 122.5 Ų | 122.5 | 89% | 0.891 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130.7 | 178.4 | -76.2 | -179.8 | -179.3 | 175.4 | 0 | 107.8 | R194 | R194-K196 PolarHBondContact O-N 3.43Å; R194-K196 VanDerWaalsContact O-N 3.09Å |
| 197 | R | 78.9 | Confident | 74.3 | Confident | 206 Ų | 206 | 122 Ų | 122 | 78% | 0.777 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137 | -178.8 | -62.4 | -178.5 | -174.1 | -167.2 | 0.5 | 109.6 | P195 R199 | P195-R197 PolarHBondContact O-N 3.32Å; R197-R199 PolarHBondContact O-N 3.4Å |
| 198 | P | 83.6 | Confident | 76.9 | Confident | 127 Ų | 127 | 118 Ų | 118 | 83% | 0.825 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.1 | 174.6 | -26.7 | 34.2 | 0 | 0 | 0 | 111.5 | ||
| 199 | R | 86.2 | Confident | 79.7 | Confident | 213 Ų | 213 | 109.9 Ų | 109.9 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -78 | 126.2 | 178.4 | -168 | 176.7 | -160.8 | 136.5 | 2.4 | 109.2 | R197 I201 | R197-R199 PolarHBondContact O-N 3.4Å; R199-I201 HydrophobicContact CG-CD1 4.19Å; R199-I201 PolarHBondContact O-N 3.24Å |
| 200 | T | 89.1 | Confident | 82.1 | Confident | 78 Ų | 78 | 107.1 Ų | 107.1 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 120 | 168.4 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | L234 V238 | T200-L234 HydrophobicContact CG2-CD2 3.93Å; T200-V238 HydrophobicContact CG2-CG1 4.36Å; T200-V238 HydrophobicContact CG2-CG2 4.48Å |
| 201 | I | 90.9 | Very high | 84.4 | Confident | 44 Ų | 44 | 104 Ų | 104 | 23% | 0.226 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 135 | 171.2 | -61.3 | -51.3 | 0 | 0 | 0 | 108.2 | L154 V158 R199 | L154-I201 HydrophobicContact CD1-CD1 4.19Å; L154-I201 HydrophobicContact CD1-CG1 4.34Å; L154-I201 HydrophobicContact CD1-CG2 4.2Å; L154-I201 HydrophobicContact CD2-CG2 3.56Å; L154-I201 HydrophobicContact CG-CG2 3.54Å; V158-I201 HydrophobicContact CG2-CB 3.74Å; V158-I201 HydrophobicContact CG2-CG1 3.33Å; V158-I201 HydrophobicContact CG2-CG2 4.49Å; R199-I201 HydrophobicContact CG-CD1 4.19Å; R199-I201 PolarHBondContact O-N 3.24Å |
| 202 | L | 91.5 | Very high | 86.5 | Confident | 23 Ų | 23 | 99.3 Ų | 99.3 | 12% | 0.12 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 142.6 | 176.1 | -55.7 | -177.4 | 0 | 0 | 0 | 110.2 | Q206 R207 F210 L234 V238 W242 | L202-Q206 VanDerWaalsContact CA-OE1 3.26Å; L202-Q206 HydrophobicContact CB-CB 4.31Å; L202-R207 HydrophobicContact CB-CG 3.99Å; L202-R207 PolarHBondContact O-NH1 3.23Å; L202-F210 HydrophobicContact CD1-CD2 3.91Å; L202-F210 HydrophobicContact CD1-CE2 3.88Å; L202-F210 HydrophobicContact CD2-CE2 4.11Å; L202-L234 HydrophobicContact CD2-CD1 3.39Å; L202-L234 HydrophobicContact CD2-CD2 4.29Å; L202-L234 HydrophobicContact CD2-CG 4.49Å; L202-V238 HydrophobicContact CD2-CG1 4.3Å; L202-W242 HydrophobicContact CD1-CG 4.26Å |
| 203 | T | 91.6 | Very high | 88 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 24% | 0.239 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 168.8 | 170.5 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | Q205 Q206 R207 | T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; T203-Q206 PolarHBondContact O-N 2.77Å; T203-Q206 VanDerWaalsContact OG1-CG 3.27Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.48Å; T203-Q206 PolarHBondContact OG1-N 3.13Å; T203-R207 WeakPolarHBondContact O-CB 3.41Å; T203-R207 WeakPolarHBondContact O-CG 3.42Å; T203-R207 PolarHBondContact O-N 3.2Å |
| 204 | T | 91 | Very high | 89.8 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | C123 V124 L143 E151 Q206 R207 R208 | C123-T204 VanDerWaalsContact SG-CG2 3.59Å; V124-T204 HydrophobicContact CG2-CG2 3.45Å; V124-T204 VanDerWaalsContact CG2-CG2 3.45Å; L143-T204 HydrophobicContact CD2-CG2 4.38Å; E151-T204 WeakPolarHBondContact OE1-CB 3.11Å; E151-T204 PolarHBondContact OE1-N 3.48Å; E151-T204 PolarHBondContact OE1-OG1 2.85Å; T204-Q206 PolarHBondContact O-N 3.07Å; T204-R207 PolarHBondContact O-N 3.4Å; T204-R207 PolarHBondContact OG1-NH2 3.47Å; T204-R208 WeakPolarHBondContact O-CG 3.46Å; T204-R208 PolarHBondContact O-N 3.28Å |
| 205 | Q | 91.9 | Very high | 91.1 | Very high | 110 Ų | 110 | 83.3 Ų | 83.3 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.1 | -173.9 | -175.8 | 44.5 | 0 | 0 | 111.4 | T203 R208 A209 | T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; Q205-R208 PolarHBondContact O-N 2.76Å; Q205-A209 PolarHBondContact O-N 2.9Å |
| 206 | Q | 94.9 | Very high | 92.1 | Very high | 28 Ų | 28 | 84.4 Ų | 84.4 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 176.8 | -69.7 | 170.8 | -19.8 | 0 | 0 | 111.2 | L202 T203 T204 R208 A209 F210 T232 L234 | L202-Q206 VanDerWaalsContact CA-OE1 3.26Å; L202-Q206 HydrophobicContact CB-CB 4.31Å; T203-Q206 PolarHBondContact O-N 2.77Å; T203-Q206 VanDerWaalsContact OG1-CG 3.27Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.48Å; T203-Q206 PolarHBondContact OG1-N 3.13Å; T204-Q206 PolarHBondContact O-N 3.07Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 PolarHBondContact O-N 2.76Å; Q206-A209 PolarHBondContact O-N 3.33Å; Q206-F210 HydrophobicContact CB-CE2 4.45Å; Q206-F210 WeakPolarHBondContact O-CD2 3.27Å; Q206-F210 PolarHBondContact O-N 3.31Å; Q206-T232 HydrophobicContact CB-CG2 4.4Å; Q206-T232 HydrophobicContact CG-CG2 4.15Å; Q206-T232 PolarHBondContact NE2-O 3.41Å; Q206-L234 HydrophobicContact CG-CD1 4.46Å |
| 207 | R | 95.2 | Very high | 93 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.2 | -41.5 | 176.9 | -78.5 | -173.7 | -75 | -91.9 | -4.6 | 112.2 | E151 L202 T203 T204 F210 K211 | E151-R207 IonicContact OE1-NH2 4Å; L202-R207 HydrophobicContact CB-CG 3.99Å; L202-R207 PolarHBondContact O-NH1 3.23Å; T203-R207 WeakPolarHBondContact O-CB 3.41Å; T203-R207 WeakPolarHBondContact O-CG 3.42Å; T203-R207 PolarHBondContact O-N 3.2Å; T204-R207 PolarHBondContact O-N 3.4Å; T204-R207 PolarHBondContact OG1-NH2 3.47Å; R207-F210 PolarHBondContact O-N 3.18Å; R207-K211 WeakPolarHBondContact O-CB 3.5Å; R207-K211 PolarHBondContact O-N 3.2Å |
| 208 | R | 93.2 | Very high | 93.8 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.1 | -77.6 | 178.4 | 153 | -114.9 | -21.2 | 112.2 | C123 T204 Q205 Q206 F210 K211 A212 | C123-R208 VanDerWaalsContact C-NH2 3.26Å; C123-R208 PolarHBondContact O-NE 3.17Å; C123-R208 PolarHBondContact O-NH2 2.64Å; T204-R208 WeakPolarHBondContact O-CG 3.46Å; T204-R208 PolarHBondContact O-N 3.28Å; Q205-R208 PolarHBondContact O-N 2.76Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 PolarHBondContact O-N 2.76Å; R208-F210 VanDerWaalsContact C-N 3.27Å; R208-F210 PolarHBondContact O-N 2.84Å; R208-K211 PolarHBondContact O-N 3.06Å; R208-K211 VanDerWaalsContact O-N 3.16Å; R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 3.3Å |
| 209 | A | 96.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q205 Q206 S213 L228 T232 | Q205-A209 PolarHBondContact O-N 2.9Å; Q206-A209 PolarHBondContact O-N 3.33Å; A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.39Å; A209-S213 VanDerWaalsContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.34Å; A209-L228 HydrophobicContact CB-CD2 4.39Å; A209-T232 HydrophobicContact CB-CG2 4.27Å |
| 210 | F | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.6 | -79.3 | -64.8 | 0 | 0 | 0 | 113.3 | L202 Q206 R207 R208 S213 F214 T232 L234 V239 W242 F243 | L202-F210 HydrophobicContact CD1-CD2 3.91Å; L202-F210 HydrophobicContact CD1-CE2 3.88Å; L202-F210 HydrophobicContact CD2-CE2 4.11Å; Q206-F210 HydrophobicContact CB-CE2 4.45Å; Q206-F210 WeakPolarHBondContact O-CD2 3.27Å; Q206-F210 PolarHBondContact O-N 3.31Å; R207-F210 PolarHBondContact O-N 3.18Å; R208-F210 VanDerWaalsContact C-N 3.27Å; R208-F210 PolarHBondContact O-N 2.84Å; F210-S213 PolarHBondContact O-N 2.92Å; F210-F214 WeakPolarHBondContact O-CB 3.41Å; F210-F214 PolarHBondContact O-N 3.4Å; F210-T232 HydrophobicContact CE2-CG2 4.38Å; F210-L234 HydrophobicContact CE2-CD1 3.61Å; F210-L234 HydrophobicContact CZ-CD1 3.79Å; F210-V239 HydrophobicContact CE1-CB 4.04Å; F210-V239 HydrophobicContact CE1-CG1 3.98Å; F210-V239 HydrophobicContact CE1-CG2 3.82Å; F210-V239 HydrophobicContact CZ-CB 4.39Å; F210-V239 HydrophobicContact CZ-CG2 3.8Å; F210-W242 HydrophobicContact CB-CD2 3.77Å; F210-W242 HydrophobicContact CB-CE3 3.8Å; F210-W242 HydrophobicContact CB-CH2 3.54Å; F210-W242 HydrophobicContact CB-CZ2 3.47Å; F210-W242 VanDerWaalsContact CB-CZ2 3.47Å; F210-W242 HydrophobicContact CB-CZ3 3.7Å; F210-W242 HydrophobicContact CD1-CB 4.41Å; F210-W242 AromaticContact CD1-CD2 3.65Å; F210-W242 HydrophobicContact CD1-CD2 3.65Å; F210-W242 AromaticContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CG 4.03Å; F210-W242 HydrophobicContact CD1-CZ3 4.13Å; F210-W242 HydrophobicContact CD2-CD2 4.36Å; F210-W242 HydrophobicContact CD2-CG 4.41Å; F210-W242 HydrophobicContact CE1-CB 4.21Å; F210-W242 HydrophobicContact CE1-CD2 4.33Å; F210-W242 HydrophobicContact CE1-CE3 4.35Å; F210-W242 HydrophobicContact CE1-CG 4.25Å; F210-W242 AromaticContact CG-CD2 3.7Å; F210-W242 HydrophobicContact CG-CD2 3.7Å; F210-W242 AromaticContact CG-CE2 3.89Å; F210-W242 AromaticContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CG 4.14Å; F210-W242 HydrophobicContact CG-CH2 4.48Å; F210-W242 HydrophobicContact CG-CZ2 4.29Å; F210-W242 HydrophobicContact CG-CZ3 4.28Å; F210-W242 WeakPolarHBondContact O-CH2 3.42Å; F210-F243 HydrophobicContact CD1-CD2 4.41Å; F210-F243 AromaticContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CZ 4.44Å; F210-F243 HydrophobicContact CE1-CE2 4.18Å |
| 211 | K | 96 | Very high | 95.4 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 177.8 | -177.3 | 175.5 | -177.9 | -76.8 | 0 | 111.4 | R207 R208 S213 F214 E215 | R207-K211 WeakPolarHBondContact O-CB 3.5Å; R207-K211 PolarHBondContact O-N 3.2Å; R208-K211 PolarHBondContact O-N 3.06Å; R208-K211 VanDerWaalsContact O-N 3.16Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.16Å; K211-F214 WeakPolarHBondContact O-CB 3.06Å; K211-F214 PolarHBondContact O-N 3.27Å; K211-E215 IonicContact NZ-OE1 2.72Å; K211-E215 PolarHBondContact NZ-OE1 3.29Å; K211-E215 PolarHBondContact O-N 3Å |
| 212 | A | 96.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 67.6 Ų | 67.6 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R208 F214 E215 V216 | R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 3.3Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.12Å; A212-E215 PolarHBondContact O-N 3.23Å; A212-V216 PolarHBondContact O-N 3.06Å |
| 213 | S | 97.7 | Very high | 96 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 177 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | A209 F210 K211 V216 S217 L228 | A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.39Å; A209-S213 VanDerWaalsContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.34Å; F210-S213 PolarHBondContact O-N 2.92Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.16Å; S213-V216 PolarHBondContact O-N 3.45Å; S213-S217 PolarHBondContact O-N 2.9Å; S213-L228 WeakPolarHBondContact OG-CD2 3.4Å |
| 214 | F | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 176.6 | -173.6 | -93.1 | 0 | 0 | 0 | 112.9 | F210 K211 A212 S217 S218 W242 F243 Q246 R247 M250 | F210-F214 WeakPolarHBondContact O-CB 3.41Å; F210-F214 PolarHBondContact O-N 3.4Å; K211-F214 WeakPolarHBondContact O-CB 3.06Å; K211-F214 PolarHBondContact O-N 3.27Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.12Å; F214-S217 CarbonylContact O-C 3.48Å; F214-S217 PolarHBondContact O-N 2.7Å; F214-S218 PolarHBondContact O-N 3.02Å; F214-W242 HydrophobicContact CB-CH2 4.1Å; F214-W242 HydrophobicContact CB-CZ3 4.05Å; F214-W242 HydrophobicContact CD2-CZ3 4.19Å; F214-W242 HydrophobicContact CG-CH2 4.49Å; F214-W242 HydrophobicContact CG-CZ3 4.42Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 AromaticContact CD2-CD1 3.71Å; F214-F243 HydrophobicContact CD2-CD1 3.71Å; F214-F243 AromaticContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CE2-CD1 4.46Å; F214-F243 HydrophobicContact CG-CE1 4.39Å; F214-Q246 HydrophobicContact CD1-CG 4.15Å; F214-Q246 HydrophobicContact CD2-CB 4.22Å; F214-Q246 HydrophobicContact CD2-CG 3.63Å; F214-Q246 HydrophobicContact CE1-CG 4.05Å; F214-Q246 HydrophobicContact CE2-CB 4.01Å; F214-Q246 HydrophobicContact CE2-CG 3.53Å; F214-Q246 HydrophobicContact CG-CG 3.96Å; F214-Q246 HydrophobicContact CZ-CG 3.76Å; F214-R247 HydrophobicContact CE2-CG 3.87Å; F214-R247 HydrophobicContact CZ-CG 4.28Å; F214-M250 HydrophobicContact CE1-CG 4.11Å; F214-M250 HydrophobicContact CZ-CG 4.03Å |
| 215 | E | 97.3 | Very high | 96.7 | Very high | 129 Ų | 129 | 77.9 Ų | 77.9 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 173.9 | -72 | 169.6 | -171.9 | 0 | 0 | 111.3 | K211 A212 | K211-E215 IonicContact NZ-OE1 2.72Å; K211-E215 PolarHBondContact NZ-OE1 3.29Å; K211-E215 PolarHBondContact O-N 3Å; A212-E215 PolarHBondContact O-N 3.23Å |
| 216 | V | 97.8 | Very high | 97 | Very high | 133 Ų | 133 | 76.4 Ų | 76.4 | 81% | 0.806 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.7 | -45 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | A212 S213 | A212-V216 PolarHBondContact O-N 3.06Å; S213-V216 PolarHBondContact O-N 3.45Å |
| 217 | S | 97.2 | Very high | 97.2 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | trans | -150.6 | 116.4 | 178.9 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | S213 F214 K219 P220 | S213-S217 PolarHBondContact O-N 2.9Å; F214-S217 CarbonylContact O-C 3.48Å; F214-S217 PolarHBondContact O-N 2.7Å; S217-K219 PolarHBondContact O-N 3.43Å; S217-K219 VanDerWaalsContact OG-C 3.23Å; S217-K219 PolarHBondContact OG-N 3.5Å; S217-K219 PolarHBondContact OG-O 2.99Å; S217-P220 WeakPolarHBondContact O-CD 3.43Å | ||
| 218 | S | 96.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 74.5 Ų | 74.5 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -67.2 | -15.5 | 172.3 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | F214 R247 | F214-S218 PolarHBondContact O-N 3.02Å; S218-R247 WeakPolarHBondContact O-CD 3.38Å; S218-R247 PolarHBondContact O-NH1 2.79Å |
| 219 | K | 97.4 | Very high | 97.5 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -133.5 | 68.8 | 178.7 | -66.3 | -176.9 | -177.4 | 178.3 | 0 | 109.7 | S217 C221 | S217-K219 PolarHBondContact O-N 3.43Å; S217-K219 VanDerWaalsContact OG-C 3.23Å; S217-K219 PolarHBondContact OG-N 3.5Å; S217-K219 PolarHBondContact OG-O 2.99Å; K219-C221 PolarHBondContact O-N 3.44Å |
| 220 | P | 96.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | trans | -59.3 | 142.2 | -176.5 | 26.3 | -35.8 | 0 | 0 | 0 | 110.7 | S217 V224 R225 F243 | S217-P220 WeakPolarHBondContact O-CD 3.43Å; P220-V224 HydrophobicContact CB-CB 4.01Å; P220-V224 HydrophobicContact CB-CG1 3.72Å; P220-R225 HydrophobicContact CB-CG 4.14Å; P220-R225 HydrophobicContact CG-CG 3.81Å; P220-R225 PolarHBondContact O-NE 3.48Å; P220-R225 PolarHBondContact O-NH2 2.93Å; P220-F243 HydrophobicContact CB-CZ 4.48Å; P220-F243 HydrophobicContact CG-CD1 3.62Å; P220-F243 HydrophobicContact CG-CD2 3.83Å; P220-F243 HydrophobicContact CG-CE1 3.53Å; P220-F243 HydrophobicContact CG-CE2 3.76Å; P220-F243 HydrophobicContact CG-CG 3.79Å; P220-F243 HydrophobicContact CG-CZ 3.63Å | ||
| 221 | C | 97.6 | Very high | 97.5 | Very high | 78 Ų | 78 | 78.9 Ų | 78.9 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | trans | -68.1 | 171.1 | 176.3 | 73 | 0 | 0 | 0 | 0 | 111.3 | K219 K223 V224 R225 | K219-C221 PolarHBondContact O-N 3.44Å; C221-K223 PolarHBondContact O-N 3.34Å; C221-V224 PolarHBondContact O-N 3.41Å; C221-R225 WeakPolarHBondContact O-CG 3.05Å; C221-R225 PolarHBondContact O-N 3.03Å | ||
| 222 | R | 97.8 | Very high | 97.5 | Very high | 193 Ų | 193 | 74.9 Ų | 74.9 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.6 | -48.8 | -177.5 | -179.3 | 175 | 175 | 173.1 | -1.2 | 112.4 | V224 R225 E226 | R222-V224 PolarHBondContact O-N 3.13Å; R222-R225 PolarHBondContact O-N 2.62Å; R222-R225 VanDerWaalsContact O-N 3.14Å; R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.56Å; R222-E226 IonicContact NE-OE1 2.79Å; R222-E226 PolarHBondContact NE-OE1 3.43Å; R222-E226 IonicContact NH2-OE1 3.43Å; R222-E226 PolarHBondContact NH2-OE1 2.95Å; R222-E226 PolarHBondContact O-N 3.16Å |
| 223 | K | 98.2 | Very high | 97.5 | Very high | 160 Ų | 160 | 75.8 Ų | 75.8 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -56.9 | -47.9 | -179.4 | -172.9 | 176.5 | -178.8 | -179.6 | 0 | 112.3 | C221 R225 E226 T227 | C221-K223 PolarHBondContact O-N 3.34Å; K223-R225 VanDerWaalsContact C-N 3.3Å; K223-R225 PolarHBondContact O-N 2.92Å; K223-E226 PolarHBondContact O-N 3.34Å; K223-T227 PolarHBondContact O-N 3.06Å; K223-T227 PolarHBondContact O-OG1 3.48Å |
| 224 | V | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 75.6 Ų | 75.6 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 179 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | P220 C221 R222 L228 | P220-V224 HydrophobicContact CB-CB 4.01Å; P220-V224 HydrophobicContact CB-CG1 3.72Å; C221-V224 PolarHBondContact O-N 3.41Å; R222-V224 PolarHBondContact O-N 3.13Å; V224-L228 HydrophobicContact CG1-CD1 4.3Å; V224-L228 WeakPolarHBondContact O-CG 3.31Å; V224-L228 PolarHBondContact O-N 3.46Å |
| 225 | R | 98.5 | Very high | 97.4 | Very high | 61 Ų | 61 | 77.2 Ų | 77.2 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 176.4 | -64.4 | -179.5 | -157.4 | 161.4 | 5.8 | 112.5 | P220 C221 R222 K223 A229 V239 | P220-R225 HydrophobicContact CB-CG 4.14Å; P220-R225 HydrophobicContact CG-CG 3.81Å; P220-R225 PolarHBondContact O-NE 3.48Å; P220-R225 PolarHBondContact O-NH2 2.93Å; C221-R225 WeakPolarHBondContact O-CG 3.05Å; C221-R225 PolarHBondContact O-N 3.03Å; R222-R225 PolarHBondContact O-N 2.62Å; R222-R225 VanDerWaalsContact O-N 3.14Å; K223-R225 VanDerWaalsContact C-N 3.3Å; K223-R225 PolarHBondContact O-N 2.92Å; R225-A229 WeakPolarHBondContact O-CB 3.34Å; R225-A229 PolarHBondContact O-N 3.09Å; R225-V239 HydrophobicContact CB-CG1 3.81Å; R225-V239 HydrophobicContact CG-CG1 3.96Å |
| 226 | E | 98.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.6 | -72.7 | 168.3 | 171.3 | 0 | 0 | 111 | R222 K223 A229 A230 V236 | R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.56Å; R222-E226 IonicContact NE-OE1 2.79Å; R222-E226 PolarHBondContact NE-OE1 3.43Å; R222-E226 IonicContact NH2-OE1 3.43Å; R222-E226 PolarHBondContact NH2-OE1 2.95Å; R222-E226 PolarHBondContact O-N 3.16Å; K223-E226 PolarHBondContact O-N 3.34Å; E226-A229 PolarHBondContact O-N 3.35Å; E226-A230 PolarHBondContact O-N 3.37Å; E226-V236 HydrophobicContact CG-CG2 4.33Å |
| 227 | T | 98.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 172.1 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | K223 A229 A230 E231 | K223-T227 PolarHBondContact O-N 3.06Å; K223-T227 PolarHBondContact O-OG1 3.48Å; T227-A229 VanDerWaalsContact C-N 3.3Å; T227-A229 PolarHBondContact O-N 2.97Å; T227-A230 PolarHBondContact O-N 2.89Å; T227-A230 VanDerWaalsContact O-N 3.16Å; T227-E231 HydrophobicContact CG2-CG 4.38Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.46Å; T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.31Å |
| 228 | L | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 177.3 | -79.5 | 171.4 | 0 | 0 | 0 | 113.1 | A209 S213 V224 A230 E231 T232 V239 F243 | A209-L228 HydrophobicContact CB-CD2 4.39Å; S213-L228 WeakPolarHBondContact OG-CD2 3.4Å; V224-L228 HydrophobicContact CG1-CD1 4.3Å; V224-L228 WeakPolarHBondContact O-CG 3.31Å; V224-L228 PolarHBondContact O-N 3.46Å; L228-A230 VanDerWaalsContact C-N 3.35Å; L228-E231 PolarHBondContact O-N 3.24Å; L228-T232 VanDerWaalsContact O-CB 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 3.38Å; L228-T232 PolarHBondContact O-N 3.41Å; L228-T232 PolarHBondContact O-OG1 3.45Å; L228-V239 HydrophobicContact CB-CG1 4.41Å; L228-F243 HydrophobicContact CD1-CE2 3.86Å; L228-F243 HydrophobicContact CD1-CZ 4.03Å |
| 229 | A | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 71 Ų | 71 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | R225 E226 T227 G233 L234 V236 V239 | R225-A229 WeakPolarHBondContact O-CB 3.34Å; R225-A229 PolarHBondContact O-N 3.09Å; E226-A229 PolarHBondContact O-N 3.35Å; T227-A229 VanDerWaalsContact C-N 3.3Å; T227-A229 PolarHBondContact O-N 2.97Å; A229-G233 PolarHBondContact O-N 3.17Å; A229-L234 CarbonylContact C-O 3.59Å; A229-L234 WeakPolarHBondContact CA-O 3.34Å; A229-L234 VanDerWaalsContact CB-O 3.28Å; A229-L234 WeakPolarHBondContact CB-O 3.36Å; A229-L234 PolarHBondContact O-N 3.03Å; A229-L234 VanDerWaalsContact O-N 3.13Å; A229-V236 HydrophobicContact CB-CG2 3.75Å; A229-V239 HydrophobicContact CB-CG2 3.99Å |
| 230 | A | 97.9 | Very high | 97.5 | Very high | 83 Ų | 83 | 67 Ų | 67 | 69% | 0.686 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E226 T227 L228 | E226-A230 PolarHBondContact O-N 3.37Å; T227-A230 PolarHBondContact O-N 2.89Å; T227-A230 VanDerWaalsContact O-N 3.16Å; L228-A230 VanDerWaalsContact C-N 3.35Å |
| 231 | E | 96.6 | Very high | 97.6 | Very high | 140 Ų | 140 | 68.9 Ų | 68.9 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | -179.3 | -70.9 | 173.5 | 175.7 | 0 | 0 | 113.1 | T227 L228 | T227-E231 HydrophobicContact CG2-CG 4.38Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.46Å; T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.31Å; L228-E231 PolarHBondContact O-N 3.24Å |
| 232 | T | 96.1 | Very high | 97.6 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -88.3 | -10.8 | -178.7 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | Q206 A209 F210 L228 L234 | Q206-T232 HydrophobicContact CB-CG2 4.4Å; Q206-T232 HydrophobicContact CG-CG2 4.15Å; Q206-T232 PolarHBondContact NE2-O 3.41Å; A209-T232 HydrophobicContact CB-CG2 4.27Å; F210-T232 HydrophobicContact CE2-CG2 4.38Å; L228-T232 VanDerWaalsContact O-CB 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 3.38Å; L228-T232 PolarHBondContact O-N 3.41Å; L228-T232 PolarHBondContact O-OG1 3.45Å; T232-L234 PolarHBondContact O-N 3.35Å |
| 233 | G | 96 | Very high | 97.6 | Very high | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 21.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A229 | A229-G233 PolarHBondContact O-N 3.17Š|
| 234 | L | 96.1 | Very high | 97.6 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | trans | -104.6 | 155.4 | -178 | -62.6 | 170.4 | 0 | 0 | 0 | 110.8 | T200 L202 Q206 F210 A229 T232 V238 | T200-L234 HydrophobicContact CG2-CD2 3.93Å; L202-L234 HydrophobicContact CD2-CD1 3.39Å; L202-L234 HydrophobicContact CD2-CD2 4.29Å; L202-L234 HydrophobicContact CD2-CG 4.49Å; Q206-L234 HydrophobicContact CG-CD1 4.46Å; F210-L234 HydrophobicContact CE2-CD1 3.61Å; F210-L234 HydrophobicContact CZ-CD1 3.79Å; A229-L234 CarbonylContact C-O 3.59Å; A229-L234 WeakPolarHBondContact CA-O 3.34Å; A229-L234 VanDerWaalsContact CB-O 3.28Å; A229-L234 WeakPolarHBondContact CB-O 3.36Å; A229-L234 PolarHBondContact O-N 3.03Å; A229-L234 VanDerWaalsContact O-N 3.13Å; T232-L234 PolarHBondContact O-N 3.35Å; L234-V238 HydrophobicContact CB-CB 4.4Å; L234-V238 HydrophobicContact CB-CG1 4.33Å; L234-V238 HydrophobicContact CD1-CG1 4.15Å; L234-V238 HydrophobicContact CD2-CG1 4.47Å | ||
| 235 | S | 97 | Very high | 97.6 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | trans | -66 | 147 | 172.7 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | R237 V238 V239 | S235-R237 PolarHBondContact O-N 3.38Å; S235-R237 VanDerWaalsContact O-N 3.07Å; S235-V238 WeakPolarHBondContact O-CB 3.49Å; S235-V238 PolarHBondContact O-N 3.02Å; S235-V238 WeakPolarHBondContact OG-CG2 3.4Å; S235-V238 PolarHBondContact OG-N 3.3Å; S235-V239 PolarHBondContact O-N 3.33Å; S235-V239 VanDerWaalsContact O-N 3.16Å | ||
| 236 | V | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.8 | -31.9 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | E226 A229 V239 Q240 | E226-V236 HydrophobicContact CG-CG2 4.33Å; A229-V236 HydrophobicContact CB-CG2 3.75Å; V236-V239 PolarHBondContact O-N 2.93Å; V236-Q240 HydrophobicContact CG1-CG 4.38Å; V236-Q240 WeakPolarHBondContact O-CB 3.49Å; V236-Q240 WeakPolarHBondContact O-CG 3.36Å; V236-Q240 PolarHBondContact O-N 3.06Å |
| 237 | R | 97.3 | Very high | 97.5 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.3 | -179.1 | 60.9 | -178.5 | 124.5 | 4.7 | 112 | S235 Q240 V241 | S235-R237 PolarHBondContact O-N 3.38Å; S235-R237 VanDerWaalsContact O-N 3.07Å; R237-Q240 PolarHBondContact O-N 3.17Å; R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.48Å; R237-V241 PolarHBondContact O-N 3.32Å |
| 238 | V | 97.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 177 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | T200 L202 L234 S235 Q240 V241 W242 | T200-V238 HydrophobicContact CG2-CG1 4.36Å; T200-V238 HydrophobicContact CG2-CG2 4.48Å; L202-V238 HydrophobicContact CD2-CG1 4.3Å; L234-V238 HydrophobicContact CB-CB 4.4Å; L234-V238 HydrophobicContact CB-CG1 4.33Å; L234-V238 HydrophobicContact CD1-CG1 4.15Å; L234-V238 HydrophobicContact CD2-CG1 4.47Å; S235-V238 WeakPolarHBondContact O-CB 3.49Å; S235-V238 PolarHBondContact O-N 3.02Å; S235-V238 WeakPolarHBondContact OG-CG2 3.4Å; S235-V238 PolarHBondContact OG-N 3.3Å; V238-Q240 PolarHBondContact O-N 3.18Å; V238-V241 PolarHBondContact O-N 3.45Å; V238-W242 WeakPolarHBondContact O-CB 3.32Å; V238-W242 PolarHBondContact O-N 2.73Å |
| 239 | V | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | F210 R225 L228 A229 S235 V236 V241 W242 F243 | F210-V239 HydrophobicContact CE1-CB 4.04Å; F210-V239 HydrophobicContact CE1-CG1 3.98Å; F210-V239 HydrophobicContact CE1-CG2 3.82Å; F210-V239 HydrophobicContact CZ-CB 4.39Å; F210-V239 HydrophobicContact CZ-CG2 3.8Å; R225-V239 HydrophobicContact CB-CG1 3.81Å; R225-V239 HydrophobicContact CG-CG1 3.96Å; L228-V239 HydrophobicContact CB-CG1 4.41Å; A229-V239 HydrophobicContact CB-CG2 3.99Å; S235-V239 PolarHBondContact O-N 3.33Å; S235-V239 VanDerWaalsContact O-N 3.16Å; V236-V239 PolarHBondContact O-N 2.93Å; V239-V241 PolarHBondContact O-N 3.4Å; V239-W242 WeakPolarHBondContact O-CB 3.41Å; V239-W242 PolarHBondContact O-N 3.43Å; V239-F243 HydrophobicContact CG1-CD2 4.08Å; V239-F243 HydrophobicContact CG1-CE2 4.1Å; V239-F243 WeakPolarHBondContact O-CD2 3.47Å; V239-F243 PolarHBondContact O-N 2.91Å; V239-F243 VanDerWaalsContact O-N 3.13Å |
| 240 | Q | 97.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 178.7 | -72.7 | 171.6 | -1.6 | 0 | 0 | 113 | V236 R237 V238 W242 F243 Q244 | V236-Q240 HydrophobicContact CG1-CG 4.38Å; V236-Q240 WeakPolarHBondContact O-CB 3.49Å; V236-Q240 WeakPolarHBondContact O-CG 3.36Å; V236-Q240 PolarHBondContact O-N 3.06Å; R237-Q240 PolarHBondContact O-N 3.17Å; V238-Q240 PolarHBondContact O-N 3.18Å; Q240-W242 VanDerWaalsContact C-N 3.31Å; Q240-W242 PolarHBondContact O-N 3.37Å; Q240-F243 PolarHBondContact O-N 3.41Å; Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.34Å; Q240-Q244 PolarHBondContact O-N 3.36Å; Q240-Q244 VanDerWaalsContact O-N 3.07Å |
| 241 | V | 97.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | R237 V238 V239 F243 Q244 N245 | R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.48Å; R237-V241 PolarHBondContact O-N 3.32Å; V238-V241 PolarHBondContact O-N 3.45Å; V239-V241 PolarHBondContact O-N 3.4Å; V241-F243 PolarHBondContact O-N 3.08Å; V241-Q244 WeakPolarHBondContact O-CB 3.35Å; V241-Q244 PolarHBondContact O-N 3.43Å; V241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; V241-N245 WeakPolarHBondContact O-CB 3.43Å; V241-N245 PolarHBondContact O-N 3.49Å |
| 242 | W | 97.8 | Very high | 97.5 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -49.9 | -179.8 | -173.9 | 90.8 | 0 | 0 | 0 | 111.3 | L202 F210 F214 V238 V239 Q240 Q244 N245 Q246 | L202-W242 HydrophobicContact CD1-CG 4.26Å; F210-W242 HydrophobicContact CB-CD2 3.77Å; F210-W242 HydrophobicContact CB-CE3 3.8Å; F210-W242 HydrophobicContact CB-CH2 3.54Å; F210-W242 HydrophobicContact CB-CZ2 3.47Å; F210-W242 VanDerWaalsContact CB-CZ2 3.47Å; F210-W242 HydrophobicContact CB-CZ3 3.7Å; F210-W242 HydrophobicContact CD1-CB 4.41Å; F210-W242 AromaticContact CD1-CD2 3.65Å; F210-W242 HydrophobicContact CD1-CD2 3.65Å; F210-W242 AromaticContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CG 4.03Å; F210-W242 HydrophobicContact CD1-CZ3 4.13Å; F210-W242 HydrophobicContact CD2-CD2 4.36Å; F210-W242 HydrophobicContact CD2-CG 4.41Å; F210-W242 HydrophobicContact CE1-CB 4.21Å; F210-W242 HydrophobicContact CE1-CD2 4.33Å; F210-W242 HydrophobicContact CE1-CE3 4.35Å; F210-W242 HydrophobicContact CE1-CG 4.25Å; F210-W242 AromaticContact CG-CD2 3.7Å; F210-W242 HydrophobicContact CG-CD2 3.7Å; F210-W242 AromaticContact CG-CE2 3.89Å; F210-W242 AromaticContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CG 4.14Å; F210-W242 HydrophobicContact CG-CH2 4.48Å; F210-W242 HydrophobicContact CG-CZ2 4.29Å; F210-W242 HydrophobicContact CG-CZ3 4.28Å; F210-W242 WeakPolarHBondContact O-CH2 3.42Å; F214-W242 HydrophobicContact CB-CH2 4.1Å; F214-W242 HydrophobicContact CB-CZ3 4.05Å; F214-W242 HydrophobicContact CD2-CZ3 4.19Å; F214-W242 HydrophobicContact CG-CH2 4.49Å; F214-W242 HydrophobicContact CG-CZ3 4.42Å; V238-W242 WeakPolarHBondContact O-CB 3.32Å; V238-W242 PolarHBondContact O-N 2.73Å; V239-W242 WeakPolarHBondContact O-CB 3.41Å; V239-W242 PolarHBondContact O-N 3.43Å; Q240-W242 VanDerWaalsContact C-N 3.31Å; Q240-W242 PolarHBondContact O-N 3.37Å; W242-Q244 VanDerWaalsContact C-N 3.33Å; W242-Q244 PolarHBondContact O-N 3.04Å; W242-N245 PolarHBondContact O-N 3.41Å; W242-Q246 HydrophobicContact CE3-CB 4.27Å; W242-Q246 HydrophobicContact CH2-CB 4.08Å; W242-Q246 HydrophobicContact CH2-CG 3.73Å; W242-Q246 HydrophobicContact CZ2-CB 4.44Å; W242-Q246 HydrophobicContact CZ2-CG 4.26Å; W242-Q246 HydrophobicContact CZ3-CB 4Å; W242-Q246 HydrophobicContact CZ3-CG 4.02Å; W242-Q246 WeakPolarHBondContact O-CB 3.28Å; W242-Q246 PolarHBondContact O-N 3.03Å |
| 243 | F | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 177.9 | -83.8 | -85 | 0 | 0 | 0 | 113 | F210 F214 P220 L228 V239 Q240 V241 R247 | F210-F243 HydrophobicContact CD1-CD2 4.41Å; F210-F243 AromaticContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CZ 4.44Å; F210-F243 HydrophobicContact CE1-CE2 4.18Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 AromaticContact CD2-CD1 3.71Å; F214-F243 HydrophobicContact CD2-CD1 3.71Å; F214-F243 AromaticContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CE2-CD1 4.46Å; F214-F243 HydrophobicContact CG-CE1 4.39Å; P220-F243 HydrophobicContact CB-CZ 4.48Å; P220-F243 HydrophobicContact CG-CD1 3.62Å; P220-F243 HydrophobicContact CG-CD2 3.83Å; P220-F243 HydrophobicContact CG-CE1 3.53Å; P220-F243 HydrophobicContact CG-CE2 3.76Å; P220-F243 HydrophobicContact CG-CG 3.79Å; P220-F243 HydrophobicContact CG-CZ 3.63Å; L228-F243 HydrophobicContact CD1-CE2 3.86Å; L228-F243 HydrophobicContact CD1-CZ 4.03Å; V239-F243 HydrophobicContact CG1-CD2 4.08Å; V239-F243 HydrophobicContact CG1-CE2 4.1Å; V239-F243 WeakPolarHBondContact O-CD2 3.47Å; V239-F243 PolarHBondContact O-N 2.91Å; V239-F243 VanDerWaalsContact O-N 3.13Å; Q240-F243 PolarHBondContact O-N 3.41Å; V241-F243 PolarHBondContact O-N 3.08Å; F243-R247 WeakPolarHBondContact O-CG 3.47Å; F243-R247 PolarHBondContact O-N 3.16Å; F243-R247 VanDerWaalsContact O-N 3.11Å; F243-R247 PolarHBondContact O-NH1 3.09Å |
| 244 | Q | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 174.1 | -73.4 | 171.4 | 1.4 | 0 | 0 | 111.2 | Q240 V241 W242 Q246 R247 A248 | Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.34Å; Q240-Q244 PolarHBondContact O-N 3.36Å; Q240-Q244 VanDerWaalsContact O-N 3.07Å; V241-Q244 WeakPolarHBondContact O-CB 3.35Å; V241-Q244 PolarHBondContact O-N 3.43Å; W242-Q244 VanDerWaalsContact C-N 3.33Å; W242-Q244 PolarHBondContact O-N 3.04Å; Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3.49Å; Q244-R247 PolarHBondContact O-N 3.38Å; Q244-A248 PolarHBondContact O-N 3.08Å |
| 245 | N | 97.7 | Very high | 97.6 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.8 | -70.9 | -11.9 | 0 | 0 | 0 | 111.8 | V241 W242 A248 K249 | V241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; V241-N245 WeakPolarHBondContact O-CB 3.43Å; V241-N245 PolarHBondContact O-N 3.49Å; W242-N245 PolarHBondContact O-N 3.41Å; N245-A248 WeakPolarHBondContact O-CB 3.33Å; N245-A248 PolarHBondContact O-N 3.44Å; N245-K249 WeakPolarHBondContact O-CB 3.32Å; N245-K249 PolarHBondContact O-N 3.18Å |
| 246 | Q | 97.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 76 Ų | 76 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.1 | -173.2 | 64 | 3.7 | 0 | 0 | 111.8 | F214 W242 Q244 A248 K249 M250 | F214-Q246 HydrophobicContact CD1-CG 4.15Å; F214-Q246 HydrophobicContact CD2-CB 4.22Å; F214-Q246 HydrophobicContact CD2-CG 3.63Å; F214-Q246 HydrophobicContact CE1-CG 4.05Å; F214-Q246 HydrophobicContact CE2-CB 4.01Å; F214-Q246 HydrophobicContact CE2-CG 3.53Å; F214-Q246 HydrophobicContact CG-CG 3.96Å; F214-Q246 HydrophobicContact CZ-CG 3.76Å; W242-Q246 HydrophobicContact CE3-CB 4.27Å; W242-Q246 HydrophobicContact CH2-CB 4.08Å; W242-Q246 HydrophobicContact CH2-CG 3.73Å; W242-Q246 HydrophobicContact CZ2-CB 4.44Å; W242-Q246 HydrophobicContact CZ2-CG 4.26Å; W242-Q246 HydrophobicContact CZ3-CB 4Å; W242-Q246 HydrophobicContact CZ3-CG 4.02Å; W242-Q246 WeakPolarHBondContact O-CB 3.28Å; W242-Q246 PolarHBondContact O-N 3.03Å; Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3.49Å; Q246-A248 VanDerWaalsContact C-N 3.35Å; Q246-A248 PolarHBondContact O-N 3.25Å; Q246-K249 WeakPolarHBondContact O-CB 3.49Å; Q246-K249 PolarHBondContact O-N 3.06Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 3.31Å |
| 247 | R | 98.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 78.1 Ų | 78.1 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.7 | -71.5 | -167.6 | -59.3 | -81.7 | -4.9 | 112.3 | F214 S218 F243 Q244 K249 M250 K251 | F214-R247 HydrophobicContact CE2-CG 3.87Å; F214-R247 HydrophobicContact CZ-CG 4.28Å; S218-R247 WeakPolarHBondContact O-CD 3.38Å; S218-R247 PolarHBondContact O-NH1 2.79Å; F243-R247 WeakPolarHBondContact O-CG 3.47Å; F243-R247 PolarHBondContact O-N 3.16Å; F243-R247 VanDerWaalsContact O-N 3.11Å; F243-R247 PolarHBondContact O-NH1 3.09Å; Q244-R247 PolarHBondContact O-N 3.38Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 3.16Å; R247-M250 PolarHBondContact O-N 3.35Å; R247-K251 PolarHBondContact O-N 2.96Å |
| 248 | A | 98.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q244 N245 Q246 K251 K252 | Q244-A248 PolarHBondContact O-N 3.08Å; N245-A248 WeakPolarHBondContact O-CB 3.33Å; N245-A248 PolarHBondContact O-N 3.44Å; Q246-A248 VanDerWaalsContact C-N 3.35Å; Q246-A248 PolarHBondContact O-N 3.25Å; A248-K251 PolarHBondContact O-N 2.98Å; A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.07Å |
| 249 | K | 97.7 | Very high | 97.1 | Very high | 112 Ų | 112 | 81.5 Ų | 81.5 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 173.4 | -176.7 | -176.9 | 176.1 | 179.9 | 0 | 111.4 | N245 Q246 R247 K251 K252 L253 | N245-K249 WeakPolarHBondContact O-CB 3.32Å; N245-K249 PolarHBondContact O-N 3.18Å; Q246-K249 WeakPolarHBondContact O-CB 3.49Å; Q246-K249 PolarHBondContact O-N 3.06Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 3.16Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K249-K251 PolarHBondContact O-N 3.01Å; K249-K252 PolarHBondContact O-N 2.92Å; K249-K252 VanDerWaalsContact O-N 3.16Å; K249-L253 PolarHBondContact O-N 3.06Å |
| 250 | M | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 86.2 Ų | 86.2 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.7 | -67.6 | -59.9 | 103.4 | 0 | 0 | 112.2 | F214 Q246 R247 K252 L253 A254 | F214-M250 HydrophobicContact CE1-CG 4.11Å; F214-M250 HydrophobicContact CZ-CG 4.03Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 3.31Å; R247-M250 PolarHBondContact O-N 3.35Å; M250-K252 PolarHBondContact O-N 3.17Å; M250-L253 PolarHBondContact O-N 3.28Å; M250-A254 PolarHBondContact O-N 3.44Å |
| 251 | K | 98 | Very high | 96.6 | Very high | 134 Ų | 134 | 88.8 Ų | 88.8 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 174.5 | -173 | 177.8 | -177.1 | 178.4 | 0 | 112.1 | R247 A248 K249 R255 | R247-K251 PolarHBondContact O-N 2.96Å; A248-K251 PolarHBondContact O-N 2.98Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K249-K251 PolarHBondContact O-N 3.01Å; K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 3.23Å; K251-R255 VanDerWaalsContact O-N 3.13Å |
| 252 | K | 98.2 | Very high | 96.4 | Very high | 161 Ų | 161 | 93.3 Ų | 93.3 | 70% | 0.7 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 176.9 | -172.9 | 175.8 | -179.1 | 178.7 | 0 | 111.6 | A248 K249 M250 R255 R256 | A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.07Å; K249-K252 PolarHBondContact O-N 2.92Å; K249-K252 VanDerWaalsContact O-N 3.16Å; M250-K252 PolarHBondContact O-N 3.17Å; K252-R255 PolarHBondContact O-N 3.15Å; K252-R256 PolarHBondContact O-N 2.94Å; K252-R256 VanDerWaalsContact O-N 3.11Å |
| 253 | L | 96.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 95.1 Ų | 95.1 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.9 | -177.2 | 60.7 | 0 | 0 | 0 | 111.7 | K249 M250 R255 R256 Q257 | K249-L253 PolarHBondContact O-N 3.06Å; M250-L253 PolarHBondContact O-N 3.28Å; L253-R255 PolarHBondContact O-N 2.87Å; L253-R256 VanDerWaalsContact CD1-NH2 3.25Å; L253-R256 PolarHBondContact O-N 3.42Å; L253-Q257 PolarHBondContact O-N 3.13Å |
| 254 | A | 96.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 100.9 Ų | 100.9 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M250 R256 Q257 Q258 | M250-A254 PolarHBondContact O-N 3.44Å; A254-R256 VanDerWaalsContact C-N 3.33Å; A254-R256 PolarHBondContact O-N 3.19Å; A254-Q257 PolarHBondContact O-N 3.33Å; A254-Q258 WeakPolarHBondContact O-CG 3.49Å; A254-Q258 PolarHBondContact O-N 2.83Å; A254-Q258 VanDerWaalsContact O-N 3.13Å |
| 255 | R | 96.6 | Very high | 95.2 | Very high | 156 Ų | 156 | 102.6 Ų | 102.6 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 174.7 | -74.4 | -175.7 | 179.5 | -77.9 | 7 | 112.3 | K251 K252 L253 Q258 Q259 | K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 3.23Å; K251-R255 VanDerWaalsContact O-N 3.13Å; K252-R255 PolarHBondContact O-N 3.15Å; L253-R255 PolarHBondContact O-N 2.87Å; R255-Q258 PolarHBondContact O-N 3.44Å; R255-Q259 PolarHBondContact O-N 3.14Å |
| 256 | R | 96.6 | Very high | 94.9 | Very high | 124 Ų | 124 | 102.6 Ų | 102.6 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 178.6 | -166.3 | 175 | 75.7 | -118.1 | 9 | 112 | K252 L253 A254 Q259 Q260 | K252-R256 PolarHBondContact O-N 2.94Å; K252-R256 VanDerWaalsContact O-N 3.11Å; L253-R256 VanDerWaalsContact CD1-NH2 3.25Å; L253-R256 PolarHBondContact O-N 3.42Å; A254-R256 VanDerWaalsContact C-N 3.33Å; A254-R256 PolarHBondContact O-N 3.19Å; R256-Q259 PolarHBondContact O-N 3.36Å; R256-Q260 WeakPolarHBondContact O-CG 3.43Å; R256-Q260 PolarHBondContact O-N 3.42Å |
| 257 | Q | 94.8 | Very high | 94.4 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 175.5 | -72.1 | 172.6 | -10.7 | 0 | 0 | 112 | L253 A254 Q260 Q261 | L253-Q257 PolarHBondContact O-N 3.13Å; A254-Q257 PolarHBondContact O-N 3.33Å; Q257-Q260 PolarHBondContact O-N 3.38Å; Q257-Q261 WeakPolarHBondContact O-CG 3.34Å; Q257-Q261 PolarHBondContact O-N 2.89Å |
| 258 | Q | 94.3 | Very high | 93.7 | Very high | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 174.9 | -71.4 | 174.6 | -5.6 | 0 | 0 | 112.1 | A254 R255 Q261 Q262 | A254-Q258 WeakPolarHBondContact O-CG 3.49Å; A254-Q258 PolarHBondContact O-N 2.83Å; A254-Q258 VanDerWaalsContact O-N 3.13Å; R255-Q258 PolarHBondContact O-N 3.44Å; Q258-Q261 PolarHBondContact O-N 3.2Å; Q258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | Q | 93.9 | Very high | 92.8 | Very high | 116 Ų | 116 | 114.8 Ų | 114.8 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 177.3 | -170.1 | 171.7 | 6.7 | 0 | 0 | 111.8 | R255 R256 Q261 Q262 D263 | R255-Q259 PolarHBondContact O-N 3.14Å; R256-Q259 PolarHBondContact O-N 3.36Å; Q259-Q261 VanDerWaalsContact C-N 3.29Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q259-Q262 PolarHBondContact O-N 3.49Å; Q259-Q262 VanDerWaalsContact O-N 3.14Å; Q259-D263 VanDerWaalsContact O-CG 3.28Å; Q259-D263 PolarHBondContact O-N 3.28Å |
| 260 | Q | 93.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 115.2 Ų | 115.2 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -31.7 | 176.4 | -74.1 | 175.6 | -18.9 | 0 | 0 | 113.5 | R256 Q257 Q264 | R256-Q260 WeakPolarHBondContact O-CG 3.43Å; R256-Q260 PolarHBondContact O-N 3.42Å; Q257-Q260 PolarHBondContact O-N 3.38Å; Q260-Q264 WeakPolarHBondContact O-CB 3.44Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.49Å; Q260-Q264 PolarHBondContact O-NE2 3.46Å |
| 261 | Q | 91.9 | Very high | 90.9 | Very high | 118 Ų | 118 | 115.1 Ų | 115.1 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.8 | -39.2 | 174.1 | -70.5 | 172.9 | 19.8 | 0 | 0 | 111.4 | Q257 Q258 Q259 Q264 Q265 | Q257-Q261 WeakPolarHBondContact O-CG 3.34Å; Q257-Q261 PolarHBondContact O-N 2.89Å; Q258-Q261 PolarHBondContact O-N 3.2Å; Q259-Q261 VanDerWaalsContact C-N 3.29Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q261-Q264 PolarHBondContact O-N 3.01Å; Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-N 2.84Å |
| 262 | Q | 92.3 | Very high | 89.5 | Confident | 137 Ų | 137 | 112.8 Ų | 112.8 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 176.6 | -168.3 | 173.2 | 14 | 0 | 0 | 111.6 | Q258 Q259 Q264 Q265 N266 | Q258-Q262 PolarHBondContact O-N 3.44Å; Q259-Q262 PolarHBondContact O-N 3.49Å; Q259-Q262 VanDerWaalsContact O-N 3.14Å; Q262-Q264 VanDerWaalsContact C-N 3.34Å; Q262-Q264 PolarHBondContact O-N 3.01Å; Q262-Q265 PolarHBondContact O-N 3.11Å; Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 3.37Å |
| 263 | D | 92.5 | Very high | 87.9 | Confident | 81 Ų | 81 | 109 Ų | 109 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.6 | -67.6 | -28.3 | 0 | 0 | 0 | 111.7 | Q259 N266 T267 | Q259-D263 VanDerWaalsContact O-CG 3.28Å; Q259-D263 PolarHBondContact O-N 3.28Å; D263-N266 PolarHBondContact O-N 3.25Å; D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 3.36Å; D263-T267 PolarHBondContact O-OG1 3.31Å |
| 264 | Q | 89.1 | Confident | 86.3 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -43.9 | 173.7 | -80.6 | 173.2 | 82.6 | 0 | 0 | 112.4 | Q260 Q261 Q262 T267 Q268 | Q260-Q264 WeakPolarHBondContact O-CB 3.44Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.49Å; Q260-Q264 PolarHBondContact O-NE2 3.46Å; Q261-Q264 PolarHBondContact O-N 3.01Å; Q262-Q264 VanDerWaalsContact C-N 3.34Å; Q262-Q264 PolarHBondContact O-N 3.01Å; Q264-T267 PolarHBondContact O-N 3.19Å; Q264-Q268 WeakPolarHBondContact O-CG 3.47Å; Q264-Q268 PolarHBondContact O-N 3.29Å; Q264-Q268 VanDerWaalsContact O-N 3.08Å |
| 265 | Q | 89 | Confident | 84.6 | Confident | 129 Ų | 129 | 117.7 Ų | 117.7 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.6 | -38.5 | 176.1 | -72.6 | -179.6 | 14.6 | 0 | 0 | 112.2 | Q261 Q262 Q268 R269 | Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-N 2.84Å; Q262-Q265 PolarHBondContact O-N 3.11Å; Q265-Q268 PolarHBondContact O-N 3.43Å; Q265-R269 PolarHBondContact O-N 2.97Å |
| 266 | N | 89.9 | Confident | 82.3 | Confident | 100 Ų | 100 | 117.7 Ų | 117.7 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.2 | -38 | 178.5 | -155.1 | 16 | 0 | 0 | 0 | 111.3 | Q262 D263 R269 L270 | Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 3.37Å; D263-N266 PolarHBondContact O-N 3.25Å; N266-R269 PolarHBondContact O-N 3.32Å; N266-L270 PolarHBondContact O-N 2.91Å |
| 267 | T | 88 | Confident | 79.8 | Confident | 97 Ų | 97 | 116 Ų | 116 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | D263 Q264 L270 S271 | D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 3.36Å; D263-T267 PolarHBondContact O-OG1 3.31Å; Q264-T267 PolarHBondContact O-N 3.19Å; T267-L270 PolarHBondContact O-N 3.16Å; T267-S271 PolarHBondContact O-N 3.38Å; T267-S271 VanDerWaalsContact O-N 3.09Å; T267-S271 PolarHBondContact O-OG 2.86Å |
| 268 | Q | 83.4 | Confident | 77.2 | Confident | 130 Ų | 130 | 114.7 Ų | 114.7 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.8 | -39.1 | 176.8 | -72.2 | -178 | 10 | 0 | 0 | 113 | Q264 Q265 L270 S271 S272 | Q264-Q268 WeakPolarHBondContact O-CG 3.47Å; Q264-Q268 PolarHBondContact O-N 3.29Å; Q264-Q268 VanDerWaalsContact O-N 3.08Å; Q265-Q268 PolarHBondContact O-N 3.43Å; Q268-L270 VanDerWaalsContact C-N 3.34Å; Q268-S271 WeakPolarHBondContact CA-OG 3.41Å; Q268-S271 PolarHBondContact O-N 3.49Å; Q268-S271 PolarHBondContact O-OG 3.11Å; Q268-S272 PolarHBondContact O-N 3.5Å; Q268-S272 PolarHBondContact O-OG 3.39Å |
| 269 | R | 80.1 | Confident | 74.4 | Confident | 199 Ų | 199 | 112.6 Ų | 112.6 | 75% | 0.751 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.3 | -37.6 | 174.9 | -76.8 | -164.5 | 179.5 | -119 | 1.9 | 112.3 | Q265 N266 S271 S272 A273 | Q265-R269 PolarHBondContact O-N 2.97Å; N266-R269 PolarHBondContact O-N 3.32Å; R269-S271 VanDerWaalsContact C-N 3.34Å; R269-S272 PolarHBondContact O-N 3.13Å; R269-A273 PolarHBondContact O-N 3.01Å |
| 270 | L | 77.4 | Confident | 71.6 | Confident | 122 Ų | 122 | 113.2 Ų | 113.2 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.5 | -36.3 | 175.3 | -125.4 | 74.9 | 0 | 0 | 0 | 112.1 | N266 T267 Q268 | N266-L270 PolarHBondContact O-N 2.91Å; T267-L270 PolarHBondContact O-N 3.16Å; Q268-L270 VanDerWaalsContact C-N 3.34Å |
| 271 | S | 75.9 | Confident | 68.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 48% | 0.476 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -70.8 | -38.7 | 176 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | T267 Q268 R269 Q274 | T267-S271 PolarHBondContact O-N 3.38Å; T267-S271 VanDerWaalsContact O-N 3.09Å; T267-S271 PolarHBondContact O-OG 2.86Å; Q268-S271 WeakPolarHBondContact CA-OG 3.41Å; Q268-S271 PolarHBondContact O-N 3.49Å; Q268-S271 PolarHBondContact O-OG 3.11Å; R269-S271 VanDerWaalsContact C-N 3.34Å; S271-Q274 PolarHBondContact O-N 2.94Å |
| 272 | S | 68.4 | Low | 66 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75.5 | -24.6 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | Q268 R269 Q274 T275 | Q268-S272 PolarHBondContact O-N 3.5Å; Q268-S272 PolarHBondContact O-OG 3.39Å; R269-S272 PolarHBondContact O-N 3.13Å; S272-Q274 PolarHBondContact O-N 3.33Å; S272-T275 PolarHBondContact O-OG1 3.47Å |
| 273 | A | 64.4 | Low | 63.3 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -16.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R269 | R269-A273 PolarHBondContact O-N 3.01Š|
| 274 | Q | 64.7 | Low | 60.5 | Low | 168 Ų | 168 | 115.2 Ų | 115.2 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -3.1 | -178.7 | -77.8 | -176 | -2.2 | 0 | 0 | 114.8 | S271 S272 | S271-Q274 PolarHBondContact O-N 2.94Å; S272-Q274 PolarHBondContact O-N 3.33Å |
| 275 | T | 59 | Low | 58.2 | Low | 112 Ų | 112 | 113.1 Ų | 113.1 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -107.1 | 9.4 | -173.9 | 62.3 | 0 | 0 | 0 | 0 | 116.3 | S272 | S272-T275 PolarHBondContact O-OG1 3.47Š|
| 276 | N | 48.4 | Very low | 55.8 | Low | 156 Ų | 156 | 114.5 Ų | 114.5 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | -137.8 | 72.6 | 172.9 | -107.3 | -2.3 | 0 | 0 | 0 | 111.7 | ||||
| 277 | G | 45.8 | Very low | 53.2 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 92% | 0.918 | 74% | 0.739 | S | S | * | * | trans | -129.3 | 50.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 278 | G | 38.8 | Very low | 51.1 | Low | 72 Ų | 72 | 120.6 Ų | 120.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -156.1 | 91.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 279 | G | 36.6 | Very low | 49.3 | Very low | 82 Ų | 82 | 118.5 Ų | 118.5 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 170.2 | 92.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 280 | S | 33.5 | Very low | 47.2 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -73.2 | 128.7 | 176.3 | 178 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 281 | A | 37 | Very low | 45.2 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 163.4 | 121.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 282 | G | 32.6 | Very low | 43.4 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | 111.9 | 117.5 | 48.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 283 | M | 34.7 | Very low | 41.5 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 60.8 | 115.5 | 159.8 | -87.5 | -61.9 | -123.4 | 0 | 0 | 120.1 | ||||
| 284 | E | 34.8 | Very low | 40.3 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 57.6 | 122.3 | 133.3 | 77.1 | -142.7 | 145.2 | 0 | 0 | 123 | ||||
| 285 | G | 40.5 | Very low | 38.7 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -173.5 | 70.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 286 | I | 38.6 | Very low | 37.6 | Very low | 158 Ų | 158 | 124 Ų | 124 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -62.5 | 134.1 | 175.2 | -69.6 | 170.7 | 0 | 0 | 0 | 110.2 | ||||
| 287 | M | 33.9 | Very low | 36.8 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | 54.3 | 115.3 | 156 | -64.1 | -82.1 | 172.5 | 0 | 0 | 118.6 | ||||
| 288 | N | 44 | Very low | 36.2 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | -165.9 | 154.9 | 109.3 | -133 | 37 | 0 | 0 | 0 | 112.8 | |||||
| 289 | P | 46.9 | Very low | 35.9 | Very low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 78% | 0.78 | S | S | * | * | trans | -110.5 | 170.6 | -163.4 | 42.5 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 290 | Y | 35.2 | Very low | 35.7 | Very low | 211 Ų | 211 | 135.1 Ų | 135.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 72.3 | 112.6 | 161.5 | -71.1 | -77.6 | 0 | 0 | 0 | 119.8 | ||||
| 291 | T | 35.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 63 | 100.1 | 129.9 | -34.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 292 | A | 38.9 | Very low | 35.8 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -135.6 | 109.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 293 | L | 29.1 | Very low | 35.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.7 | 160.4 | -80.9 | 126.4 | 0 | 0 | 0 | 109.5 | ||
| 294 | P | 37.4 | Very low | 35.5 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -103 | 120 | 154.2 | 12.8 | 6.8 | 0 | 0 | 0 | 109.6 | ||
| 295 | T | 32.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59 | 147.5 | 170.7 | 27.5 | 0 | 0 | 0 | 0 | 112.5 | Q297 | T295-Q297 PolarHBondContact O-N 3.45Š|
| 296 | P | 35 | Very low | 34.8 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -95.6 | 96.8 | -176.7 | 34.6 | -27 | 0 | 0 | 0 | 110.1 | ||||
| 297 | Q | 32 | Very low | 34.5 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -146.8 | 114.9 | 166.4 | -84.2 | -152.2 | -20.9 | 0 | 0 | 113.6 | T295 | T295-Q297 PolarHBondContact O-N 3.45Š| ||
| 298 | Q | 31.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | trans | 98.4 | 123.8 | 139 | -67.4 | -162.8 | 15.8 | 0 | 0 | 121.7 | ||||
| 299 | L | 33.1 | Very low | 34 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 92.4 | 97.8 | 134.8 | -78.5 | 159.7 | 0 | 0 | 0 | 119.7 | A301 | L299-A301 PolarHBondContact O-N 3.06Š| ||
| 300 | L | 33 | Very low | 33.6 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 0 | 108.2 | 140.6 | -60.3 | 170.1 | 0 | 0 | 0 | 116 | ||||
| 301 | A | 36.6 | Very low | 33.8 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -118.2 | 108.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | L299 | L299-A301 PolarHBondContact O-N 3.06Š| ||
| 302 | I | 36 | Very low | 33.8 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -85 | 108.5 | 172.7 | -163.1 | 152.9 | 0 | 0 | 0 | 106.2 | ||||
| 303 | E | 30.1 | Very low | 33.7 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -117.2 | 107.1 | 169.3 | -92.1 | -76.1 | 131 | 0 | 0 | 107.4 | S305 | E303-S305 PolarHBondContact O-N 3.39Š| ||
| 304 | Q | 29.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -71.5 | 101.1 | 172.1 | -67.8 | 170.4 | 8.4 | 0 | 0 | 107.9 | ||||
| 305 | S | 32.2 | Very low | 33.9 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -106 | 89.2 | 161.1 | 26.8 | 0 | 0 | 0 | 0 | 108.6 | E303 | E303-S305 PolarHBondContact O-N 3.39Š| ||
| 306 | V | 29.5 | Very low | 34.2 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | trans | -73.6 | 140.8 | 161.2 | -172.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 307 | Y | 31.5 | Very low | 34.5 | Very low | 210 Ų | 210 | 148 Ų | 148 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 85.9 | 92.4 | 177.5 | -60.9 | -79.5 | 0 | 0 | 0 | 117.7 | ||||
| 308 | S | 38.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | -149.5 | 110.2 | 126.8 | -146.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 309 | S | 29.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -95.6 | 119 | 171.4 | -50.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 310 | D | 38.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -158.6 | 142.7 | 152.8 | -127.2 | -76.7 | 0 | 0 | 0 | 111.6 | ||||
| 311 | P | 40.1 | Very low | 35.2 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | trans | -96.5 | 176.3 | -164.9 | 14.5 | 6.3 | 0 | 0 | 0 | 113.8 | ||||
| 312 | F | 34.6 | Very low | 35.3 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 86.4 | 81 | 173.3 | -76.7 | -91.6 | 0 | 0 | 0 | 118.8 | ||||
| 313 | R | 36 | Very low | 35.1 | Very low | 248 Ų | 248 | 143.8 Ų | 143.8 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -142.1 | 81.9 | 141.8 | -86.1 | -68.4 | 140.5 | 162.6 | -4.5 | 110.5 | ||||
| 314 | Q | 38.7 | Very low | 35.2 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 119.2 | 152 | -85.7 | 156.9 | -61.4 | 0 | 0 | 107.1 | ||||
| 315 | G | 33.3 | Very low | 35.5 | Very low | 62 Ų | 62 | 144 Ų | 144 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | 178.3 | 61.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 316 | L | 39 | Very low | 35.6 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -140.9 | 62.9 | 164.5 | -67.8 | 178.9 | 0 | 0 | 0 | 109.2 | ||||
| 317 | T | 41.7 | Very low | 35.8 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 116 | 161 | 44.3 | 0 | 0 | 0 | 0 | 108.1 | ||
| 318 | P | 37 | Very low | 36 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.7 | -178.8 | -22.7 | 33.8 | 0 | 0 | 0 | 113.2 | ||
| 319 | P | 42.2 | Very low | 36 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 136.4 | -170.7 | 29.5 | -33 | 0 | 0 | 0 | 113 | ||
| 320 | Q | 29.2 | Very low | 36 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130.4 | 172 | -74.3 | 178.5 | -30.4 | 0 | 0 | 110.5 | ||
| 321 | M | 36.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.2 | 174.7 | -74 | -66.8 | -66.8 | 0 | 0 | 110.8 | ||
| 322 | P | 38.9 | Very low | 35.4 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.8 | 179.5 | -22.7 | 34.5 | 0 | 0 | 0 | 113.8 | ||
| 323 | G | 31.5 | Very low | 35.6 | Very low | 60 Ų | 60 | 144.2 Ų | 144.2 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77 | 168.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 324 | D | 32.1 | Very low | 35.5 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -131.4 | 124.1 | 149.2 | -84.7 | -48.2 | 0 | 0 | 0 | 108.6 | ||||
| 325 | H | 36.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | trans | -72.7 | 121.9 | -177.7 | -64.3 | -96 | 0 | 0 | 0 | 110.2 | ||||
| 326 | M | 34 | Very low | 35 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -124 | 83.9 | 155.8 | -79.1 | -67.6 | 157.4 | 0 | 0 | 108.7 | ||||
| 327 | H | 32.6 | Very low | 34.6 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -114.8 | 117.1 | 161.6 | -110.9 | -68.5 | 0 | 0 | 0 | 107.2 | ||||
| 328 | P | 37.5 | Very low | 34.5 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 59% | 0.591 | 79% | 0.789 | S | S | * | * | trans | -124 | 127.3 | 152.4 | 32.7 | -18.6 | 0 | 0 | 0 | 109.9 | ||||
| 329 | Y | 37.4 | Very low | 34.1 | Very low | 222 Ų | 222 | 145.8 Ų | 145.8 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 73.7 | 116.3 | 176.6 | -48.3 | -78.7 | 0 | 0 | 0 | 114.7 | ||||
| 330 | G | 30.2 | Very low | 34.4 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 93.1 | 104.1 | 17 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 331 | A | 33.4 | Very low | 34.6 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 84.6 | 108.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 332 | E | 32.2 | Very low | 34.7 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 83 | 144 | 129.4 | -71.9 | -70.6 | 119.9 | 0 | 0 | 121.9 | |||||
| 333 | P | 38.6 | Very low | 34.4 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 54% | 0.539 | 76% | 0.764 | S | S | . | * | trans | -94.5 | 138 | -158 | 37.1 | -30.7 | 0 | 0 | 0 | 112 | ||||
| 334 | L | 33.4 | Very low | 34.5 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -117.6 | 103.1 | 167.3 | -68.6 | 175.1 | 0 | 0 | 0 | 108.4 | H336 | L334-H336 PolarHBondContact O-N 3.13Š| ||
| 335 | F | 27.1 | Very low | 34.5 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -48.3 | 126.9 | 157.4 | -70.1 | -98 | 0 | 0 | 0 | 108.9 | ||||
| 336 | H | 35.1 | Very low | 34.6 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -142 | 98.5 | 150.2 | -134 | -59 | 0 | 0 | 0 | 109.3 | L334 | L334-H336 PolarHBondContact O-N 3.13Š| ||
| 337 | D | 29.8 | Very low | 34.4 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -47.5 | 132.2 | 155.1 | -134.6 | -72.4 | 0 | 0 | 0 | 109.9 | ||||
| 338 | L | 39.2 | Very low | 34.5 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -153 | 87.3 | 161.2 | -121.1 | 136.6 | 0 | 0 | 0 | 108.2 | ||||
| 339 | D | 29.5 | Very low | 34.1 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -35.8 | 130.5 | 156 | -113.8 | -54.1 | 0 | 0 | 0 | 112.2 | ||||
| 340 | S | 47.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -142.3 | 88.3 | 154.2 | -167 | 0 | 0 | 0 | 0 | 107.4 | D342 | S340-D342 PolarHBondContact O-N 3.14Š| ||
| 341 | D | 33.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -46.9 | 121.2 | 157.2 | -93.8 | -61.4 | 0 | 0 | 0 | 111 | ||||
| 342 | D | 38.1 | Very low | 33.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -144.1 | 91.9 | 132.7 | -169 | -135.9 | 0 | 0 | 0 | 109.2 | S340 | S340-D342 PolarHBondContact O-N 3.14Š| ||
| 343 | T | 33.1 | Very low | 33.7 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 61% | 0.613 | 78% | 0.778 | S | S | * | * | trans | 1.1 | 117.3 | 136.8 | 22.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 344 | S | 33.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 165 | 107.3 | 116.1 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 345 | L | 31.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 59.2 | 95.8 | 139 | -52.7 | 178.4 | 0 | 0 | 0 | 119.5 | ||||
| 346 | S | 38.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | -169.6 | 96.7 | 117.9 | -78.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 347 | N | 30.5 | Very low | 32.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -54.4 | 130.9 | 171.3 | -164.3 | 24.3 | 0 | 0 | 0 | 111.2 | ||||
| 348 | L | 34.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 166.9 | 73.1 | 139.3 | -86.7 | 178.1 | 0 | 0 | 0 | 108.2 | ||||
| 349 | G | 28.9 | Very low | 32.2 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -144.8 | 86.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 350 | D | 32.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -147.1 | 117.9 | 160.1 | -103.5 | -39.9 | 0 | 0 | 0 | 111.7 | ||||
| 351 | C | 30.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | 58.1 | 104.2 | 135.7 | -156.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 352 | F | 32.2 | Very low | 31.9 | Very low | 214 Ų | 214 | 134 Ų | 134 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | -146.1 | 104.4 | 129.8 | -106.4 | -79.7 | 0 | 0 | 0 | 110.1 | |||||
| 353 | L | 29.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 155.2 | 157.2 | -81.5 | 166.8 | 0 | 0 | 0 | 109.4 | ||||
| 354 | A | 30.4 | Very low | 32.3 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | 79.4 | 108.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 355 | T | 30 | Very low | 33 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | -179.5 | 148.6 | 79.9 | 39.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 356 | S | 26.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -39.5 | 140.7 | 164.1 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 357 | E | 26.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 132 Ų | 132 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | 167.3 | 150.4 | 133.4 | -77.7 | -117.3 | 111.7 | 0 | 0 | 110.4 | ||||
| 358 | A | 29.3 | Very low | 36.6 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 138.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 359 | G | 28.7 | Very low | 38.2 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -176.4 | 116.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L361 | G359-L361 PolarHBondContact O-N 3.07Š| ||
| 360 | P | 36.9 | Very low | 39.7 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -92.5 | 81.9 | -176.3 | 34.4 | -30.3 | 0 | 0 | 0 | 111.1 | ||||
| 361 | L | 32.2 | Very low | 41.3 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -152.6 | 98 | 166.9 | -84.2 | -176.6 | 0 | 0 | 0 | 110.7 | G359 | G359-L361 PolarHBondContact O-N 3.07Š| ||
| 362 | Q | 35.2 | Very low | 42.7 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -171.9 | 81.9 | 142.5 | -105.6 | 173.1 | 14.9 | 0 | 0 | 109.9 | R364 | Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.87Å; Q362-R364 VanDerWaalsContact O-N 3.15Å | ||
| 363 | S | 39.2 | Very low | 43.5 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 88% | 0.881 | 71% | 0.708 | S | S | * | * | trans | -75.8 | 83.8 | 157.9 | 40 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 364 | R | 41.6 | Very low | 45.1 | Very low | 198 Ų | 198 | 118.8 Ų | 118.8 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -112.3 | 122.9 | 171.2 | -85 | -167.8 | 173.9 | 174.2 | -0.1 | 110 | Q362 | Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.87Å; Q362-R364 VanDerWaalsContact O-N 3.15Å | ||
| 365 | V | 48.5 | Very low | 46.1 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 87% | 0.873 | 69% | 0.689 | S | S | * | * | trans | 65.9 | 70.5 | 165.6 | -162 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 366 | G | 50.2 | Low | 46.9 | Very low | 50 Ų | 50 | 119.2 Ų | 119.2 | 52% | 0.515 | 67% | 0.674 | S | S | . | * | trans | -68.2 | 129.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 367 | N | 62.9 | Low | 48.2 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 46% | 0.46 | 67% | 0.668 | S | S | . | * | trans | -59.9 | 138.9 | 174.2 | -177.5 | -26.8 | 0 | 0 | 0 | 109.1 | I369 D370 | N367-I369 PolarHBondContact O-N 3.09Å; N367-I369 PolarHBondContact OD1-N 3.43Å; N367-D370 WeakPolarHBondContact O-CB 3.42Å; N367-D370 PolarHBondContact O-N 3.34Å | ||
| 368 | P | 62.6 | Low | 49.4 | Very low | 99 Ų | 99 | 113.5 Ų | 113.5 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -52 | -21.4 | 178 | 18.8 | -34 | 0 | 0 | 0 | 114.9 | H371 | P368-H371 PolarHBondContact O-N 2.92Å |
| 369 | I | 68.7 | Low | 50.4 | Low | 97 Ų | 97 | 116.8 Ų | 116.8 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.9 | -35.6 | 172.1 | -73.6 | 172.3 | 0 | 0 | 0 | 112.4 | N367 H371 L372 Y373 | N367-I369 PolarHBondContact O-N 3.09Å; N367-I369 PolarHBondContact OD1-N 3.43Å; I369-H371 VanDerWaalsContact C-N 3.27Å; I369-H371 PolarHBondContact O-N 3.31Å; I369-L372 WeakPolarHBondContact O-CB 3.21Å; I369-L372 PolarHBondContact O-N 3.37Å; I369-Y373 HydrophobicContact CG2-CD2 3.98Å; I369-Y373 HydrophobicContact CG2-CE2 3.91Å; I369-Y373 PolarHBondContact O-N 2.84Å |
| 370 | D | 59.5 | Low | 51.1 | Low | 98 Ų | 98 | 121.3 Ų | 121.3 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.8 | -30.2 | 178.4 | -77.5 | -56.3 | 0 | 0 | 0 | 112.2 | N367 L372 Y373 S374 | N367-D370 WeakPolarHBondContact O-CB 3.42Å; N367-D370 PolarHBondContact O-N 3.34Å; D370-L372 VanDerWaalsContact C-N 3.27Å; D370-L372 PolarHBondContact O-N 3.07Å; D370-Y373 PolarHBondContact O-N 2.79Å; D370-S374 PolarHBondContact O-N 2.7Å |
| 371 | H | 66.5 | Low | 51.1 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.5 | -32 | 172.6 | -74.5 | -83.1 | 0 | 0 | 0 | 112.2 | P368 I369 M375 | P368-H371 PolarHBondContact O-N 2.92Å; I369-H371 VanDerWaalsContact C-N 3.27Å; I369-H371 PolarHBondContact O-N 3.31Å; H371-M375 WeakPolarHBondContact O-CG 3.31Å; H371-M375 PolarHBondContact O-N 2.94Å |
| 372 | L | 60.1 | Low | 51.7 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 52% | 0.518 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.1 | -38.3 | 174.6 | -69 | 166.7 | 0 | 0 | 0 | 111.9 | I369 D370 M375 Q376 | I369-L372 WeakPolarHBondContact O-CB 3.21Å; I369-L372 PolarHBondContact O-N 3.37Å; D370-L372 VanDerWaalsContact C-N 3.27Å; D370-L372 PolarHBondContact O-N 3.07Å; L372-M375 HydrophobicContact CD2-CE 3.82Å; L372-M375 PolarHBondContact O-N 3.47Å; L372-Q376 PolarHBondContact O-N 2.77Å; L372-Q376 VanDerWaalsContact O-N 3.12Å |
| 373 | Y | 49.1 | Very low | 52.5 | Low | 143 Ų | 143 | 119.2 Ų | 119.2 | 56% | 0.561 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.3 | -39.3 | 176.2 | -84.8 | -77.8 | 0 | 0 | 0 | 112.4 | I369 D370 M375 Q376 N377 | I369-Y373 HydrophobicContact CG2-CD2 3.98Å; I369-Y373 HydrophobicContact CG2-CE2 3.91Å; I369-Y373 PolarHBondContact O-N 2.84Å; D370-Y373 PolarHBondContact O-N 2.79Å; Y373-M375 VanDerWaalsContact C-N 3.32Å; Y373-M375 PolarHBondContact O-N 2.98Å; Y373-Q376 PolarHBondContact O-N 3.5Å; Y373-N377 PolarHBondContact O-N 3.46Å; Y373-N377 VanDerWaalsContact O-N 3.13Å |
| 374 | S | 61.7 | Low | 53.2 | Low | 74 Ų | 74 | 118.8 Ų | 118.8 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.1 | -37.8 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | D370 S378 | D370-S374 PolarHBondContact O-N 2.7Å; S374-S378 WeakPolarHBondContact O-CB 3.48Å; S374-S378 PolarHBondContact O-N 2.71Å; S374-S378 PolarHBondContact O-OG 2.75Å |
| 375 | M | 51.5 | Low | 53.8 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 60% | 0.596 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.4 | -31.5 | 174.6 | -75.9 | -161.2 | -67.2 | 0 | 0 | 113.6 | H371 L372 Y373 Y379 | H371-M375 WeakPolarHBondContact O-CG 3.31Å; H371-M375 PolarHBondContact O-N 2.94Å; L372-M375 HydrophobicContact CD2-CE 3.82Å; L372-M375 PolarHBondContact O-N 3.47Å; Y373-M375 VanDerWaalsContact C-N 3.32Å; Y373-M375 PolarHBondContact O-N 2.98Å; M375-Y379 WeakPolarHBondContact O-CB 3.48Å; M375-Y379 PolarHBondContact O-N 2.82Å |
| 376 | Q | 47.8 | Very low | 54.2 | Low | 108 Ų | 108 | 112.7 Ų | 112.7 | 51% | 0.505 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.7 | -45.4 | 176 | -75.3 | -177.3 | 8.7 | 0 | 0 | 111.5 | L372 Y373 S378 Y379 F380 | L372-Q376 PolarHBondContact O-N 2.77Å; L372-Q376 VanDerWaalsContact O-N 3.12Å; Y373-Q376 PolarHBondContact O-N 3.5Å; Q376-S378 PolarHBondContact O-N 2.83Å; Q376-Y379 PolarHBondContact O-N 3.46Å; Q376-Y379 VanDerWaalsContact O-N 3.07Å; Q376-F380 WeakPolarHBondContact O-CD2 3.31Å |
| 377 | N | 52.5 | Low | 54.4 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.7 | -34 | 179.4 | -70.3 | -4.8 | 0 | 0 | 0 | 112.3 | Y373 Y379 T381 | Y373-N377 PolarHBondContact O-N 3.46Å; Y373-N377 VanDerWaalsContact O-N 3.13Å; N377-Y379 VanDerWaalsContact C-N 3.33Å; N377-Y379 PolarHBondContact O-N 3.16Å; N377-T381 PolarHBondContact O-OG1 3.2Å |
| 378 | S | 52.5 | Low | 53.8 | Low | 64 Ų | 64 | 118.7 Ų | 118.7 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.5 | -19.7 | 176.9 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | S374 Q376 | S374-S378 WeakPolarHBondContact O-CB 3.48Å; S374-S378 PolarHBondContact O-N 2.71Å; S374-S378 PolarHBondContact O-OG 2.75Å; Q376-S378 PolarHBondContact O-N 2.83Å |
| 379 | Y | 49.8 | Very low | 53.2 | Low | 178 Ų | 178 | 120.1 Ų | 120.1 | 70% | 0.698 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -90.2 | -13.2 | -174 | -161.6 | -99.2 | 0 | 0 | 0 | 113.2 | M375 Q376 N377 | M375-Y379 WeakPolarHBondContact O-CB 3.48Å; M375-Y379 PolarHBondContact O-N 2.82Å; Q376-Y379 PolarHBondContact O-N 3.46Å; Q376-Y379 VanDerWaalsContact O-N 3.07Å; N377-Y379 VanDerWaalsContact C-N 3.33Å; N377-Y379 PolarHBondContact O-N 3.16Å |
| 380 | F | 45.1 | Very low | 52 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -105.7 | -5.4 | -175 | -67.4 | -67.5 | 0 | 0 | 0 | 115.1 | Q376 | Q376-F380 WeakPolarHBondContact O-CD2 3.31Š|
| 381 | T | 36.7 | Very low | 51.4 | Low | 112 Ų | 112 | 123.8 Ų | 123.8 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | trans | -101.7 | 75.5 | 171.4 | 12.6 | 0 | 0 | 0 | 0 | 110.3 | N377 | N377-T381 PolarHBondContact O-OG1 3.2Š| ||
| 382 | S | 43.4 | Very low | 50 | Low | 178 Ų | 178 | 123.7 Ų | 123.7 | 100% | 1.245 | 65% | 0.649 | S | S | * | * | trans | -175.7 | 0 | 156.1 | -70.5 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 382 of 382 residues in 69.3 ms
(Link to these results)