| 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 | 40.5 | Very low | 41.8 | Very low | 186 Ų | 186 | 114.5 Ų | 114.5 | 92% | 0.916 | 56% | 0.557 | S | S | * | * | 0 | 121 | 0 | -90.4 | -168.4 | 154.7 | 0 | 0 | 107.5 | V31 | M1-V31 HydrophobicContact CE-CB 3.71Å; M1-V31 HydrophobicContact CE-CG2 3.64Å; M1-V31 HydrophobicContact SD-CG2 4.17Å | |||
| 2 | N | 37 | Very low | 42.3 | Very low | 145 Ų | 145 | 110.9 Ų | 110.9 | 78% | 0.775 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 132.5 | 173.9 | -79.9 | 3.8 | 0 | 0 | 0 | 109.4 | ||
| 3 | P | 47.7 | Very low | 43 | Very low | 71 Ų | 71 | 115.1 Ų | 115.1 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 142 | 171.7 | 28.6 | -33.4 | 0 | 0 | 0 | 110.3 | Y5 | P3-Y5 HydrophobicContact CG-CE1 4.42Å; P3-Y5 HydrophobicContact CG-CE2 4.02Å; P3-Y5 WeakPolarHBondContact CG-OH 3.39Å; P3-Y5 WeakPolarHBondContact O-CE2 3.35Å |
| 4 | Y | 40.6 | Very low | 43.8 | Very low | 165 Ų | 165 | 117.8 Ų | 117.8 | 65% | 0.647 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.7 | 167.2 | -72.5 | -88.6 | 0 | 0 | 0 | 109.1 | ||
| 5 | Y | 38.1 | Very low | 44 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 130.6 | 178.9 | -58.1 | -85.9 | 0 | 0 | 0 | 109.8 | P3 E24 | P3-Y5 HydrophobicContact CG-CE1 4.42Å; P3-Y5 HydrophobicContact CG-CE2 4.02Å; P3-Y5 WeakPolarHBondContact CG-OH 3.39Å; P3-Y5 WeakPolarHBondContact O-CE2 3.35Å; Y5-E24 VanDerWaalsContact CD1-OE1 3.24Å; Y5-E24 WeakPolarHBondContact CD1-OE1 3.45Å; Y5-E24 WeakPolarHBondContact CE1-OE1 3.47Å |
| 6 | V | 43.4 | Very low | 44.2 | Very low | 51 Ų | 51 | 119.3 Ų | 119.3 | 31% | 0.309 | 60% | 0.599 | S | S | . | * | B | Isolated β-bridge | trans | -108.8 | 111.4 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | L51 | V6-L51 HydrophobicContact CG2-CD1 3.81Å |
| 7 | I | 42.8 | Very low | 44.2 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 64% | 0.641 | 60% | 0.598 | S | S | * | * | trans | -87.8 | 118.2 | 171.9 | -55.5 | 173.7 | 0 | 0 | 0 | 107 | Y22 | I7-Y22 HydrophobicContact CG2-CD1 3.91Å; I7-Y22 HydrophobicContact CG2-CE1 4.31Å | ||
| 8 | Y | 44.8 | Very low | 44.4 | Very low | 59 Ų | 59 | 120.6 Ų | 120.6 | 23% | 0.231 | 60% | 0.604 | C | S | . | * | trans | -115.4 | 143.4 | 169.2 | 80.7 | -92.3 | 0 | 0 | 0 | 110.2 | K10 Q23 V25 | Y8-K10 HydrophobicContact CE2-CB 4.14Å; Y8-Q23 WeakPolarHBondContact CD1-O 3.28Å; Y8-Q23 HydrophobicContact CE1-CB 3.78Å; Y8-Q23 HydrophobicContact CE1-CG 4.31Å; Y8-Q23 WeakPolarHBondContact CE1-O 3.33Å; Y8-Q23 WeakPolarHBondContact OH-CB 3.35Å; Y8-Q23 PolarHBondContact OH-OE1 3.33Å; Y8-V25 HydrophobicContact CD1-CG2 4.39Å; Y8-V25 HydrophobicContact CE1-CG2 3.75Å | ||
| 9 | T | 38.8 | Very low | 44.5 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 47% | 0.472 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.8 | 175.8 | -49.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 10 | K | 46.4 | Very low | 44.6 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 46% | 0.457 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 118.5 | 168.6 | -170.9 | -174.3 | 175 | -156.3 | 0 | 108 | Y8 D12 | Y8-K10 HydrophobicContact CE2-CB 4.14Å; K10-D12 IonicContact NZ-OD2 2.88Å |
| 11 | M | 39.3 | Very low | 44.7 | Very low | 130 Ų | 130 | 118 Ų | 118 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | trans | -87.8 | 115.4 | 166.9 | -66.3 | -154 | -167.5 | 0 | 0 | 108.6 | ||||
| 12 | D | 48 | Very low | 45 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | trans | -87.2 | 106.3 | 168.6 | -126.6 | -37.7 | 0 | 0 | 0 | 108.1 | K10 N14 Q15 | K10-D12 IonicContact NZ-OD2 2.88Å; D12-N14 PolarHBondContact O-N 3.3Å; D12-Q15 PolarHBondContact O-N 3.27Å | ||
| 13 | M | 51.4 | Low | 45.6 | Very low | 165 Ų | 165 | 115 Ų | 115 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -4 | -176.1 | -69.2 | -70.4 | -179.6 | 0 | 0 | 113.5 | ||
| 14 | N | 54.8 | Low | 45.6 | Very low | 153 Ų | 153 | 117.9 Ų | 117.9 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 4.9 | -175.9 | -64.8 | -20.3 | 0 | 0 | 0 | 113.7 | D12 | D12-N14 PolarHBondContact O-N 3.3Š|
| 15 | Q | 46.4 | Very low | 46.3 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | trans | -113 | 124.1 | 172.3 | -73 | -177.6 | 26.8 | 0 | 0 | 110.3 | D12 E17 | D12-Q15 PolarHBondContact O-N 3.27Å; Q15-E17 WeakPolarHBondContact CB-O 3.33Å; Q15-E17 PolarHBondContact O-N 3.49Å | ||
| 16 | T | 47.2 | Very low | 47.2 | Very low | 162 Ų | 162 | 109.7 Ų | 109.7 | 99% | 0.994 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -66.7 | -14.1 | 172.9 | 24.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | E | 45 | Very low | 48.2 | Very low | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -102.6 | 121.4 | 162.6 | -82 | -175.7 | 151 | 0 | 0 | 109.2 | Q15 K19 | Q15-E17 WeakPolarHBondContact CB-O 3.33Å; Q15-E17 PolarHBondContact O-N 3.49Å; E17-K19 PolarHBondContact O-N 3.45Å; E17-K19 WeakPolarHBondContact OE2-CE 3.1Å; E17-K19 IonicContact OE2-NZ 3.88Å |
| 18 | I | 47.2 | Very low | 49.2 | Very low | 138 Ų | 138 | 111.4 Ų | 111.4 | 71% | 0.708 | 56% | 0.56 | S | S | * | * | trans | -69.7 | 80.1 | 167.4 | -55.7 | 171.5 | 0 | 0 | 0 | 107.2 | S20 | I18-S20 PolarHBondContact O-N 3.29Å; I18-S20 VanDerWaalsContact O-N 3.17Å | ||
| 19 | K | 45.5 | Very low | 50.3 | Low | 140 Ų | 140 | 112.7 Ų | 112.7 | 61% | 0.609 | 57% | 0.57 | S | S | * | * | trans | -76.5 | 97.7 | 161.8 | -80.4 | -176.7 | -178.3 | 171.9 | 0 | 106.9 | E17 Q21 | E17-K19 PolarHBondContact O-N 3.45Å; E17-K19 WeakPolarHBondContact OE2-CE 3.1Å; E17-K19 IonicContact OE2-NZ 3.88Å; K19-Q21 VanDerWaalsContact C-N 3.28Å; K19-Q21 PolarHBondContact O-N 2.88Å | ||
| 20 | S | 46.8 | Very low | 51.9 | Low | 42 Ų | 42 | 112.2 Ų | 112.2 | 29% | 0.294 | 57% | 0.565 | S | S | . | * | trans | -60.1 | 92.9 | 170.1 | -58.7 | 0 | 0 | 0 | 0 | 109 | I18 Y22 | I18-S20 PolarHBondContact O-N 3.29Å; I18-S20 VanDerWaalsContact O-N 3.17Å; S20-Y22 VanDerWaalsContact CB-CZ 3.43Å; S20-Y22 WeakPolarHBondContact CB-OH 3.49Å; S20-Y22 WeakPolarHBondContact O-CD2 3.37Å; S20-Y22 PolarHBondContact O-N 3.02Å | ||
| 21 | Q | 47.4 | Very low | 53.2 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 104.8 | 164.1 | -79.6 | -173.6 | -11 | 0 | 0 | 107 | K19 | K19-Q21 VanDerWaalsContact C-N 3.28Å; K19-Q21 PolarHBondContact O-N 2.88Å |
| 22 | Y | 47.2 | Very low | 54.9 | Low | 153 Ų | 153 | 110.3 Ų | 110.3 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.3 | 166.7 | -54.3 | -77.9 | 0 | 0 | 0 | 107.7 | I7 S20 | I7-Y22 HydrophobicContact CG2-CD1 3.91Å; I7-Y22 HydrophobicContact CG2-CE1 4.31Å; S20-Y22 VanDerWaalsContact CB-CZ 3.43Å; S20-Y22 WeakPolarHBondContact CB-OH 3.49Å; S20-Y22 WeakPolarHBondContact O-CD2 3.37Å; S20-Y22 PolarHBondContact O-N 3.02Å |
| 23 | Q | 48.7 | Very low | 56.2 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | trans | -117.7 | 121.5 | 169.3 | 178.1 | 167.6 | 54.6 | 0 | 0 | 107.4 | Y8 V25 | Y8-Q23 WeakPolarHBondContact CD1-O 3.28Å; Y8-Q23 HydrophobicContact CE1-CB 3.78Å; Y8-Q23 HydrophobicContact CE1-CG 4.31Å; Y8-Q23 WeakPolarHBondContact CE1-O 3.33Å; Y8-Q23 WeakPolarHBondContact OH-CB 3.35Å; Y8-Q23 PolarHBondContact OH-OE1 3.33Å; Q23-V25 HydrophobicContact CG-CG2 4.49Å | ||
| 24 | E | 49.1 | Very low | 57.3 | Low | 132 Ų | 132 | 104.7 Ų | 104.7 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | trans | -76 | 125.7 | 175.6 | -169.8 | 177.4 | 179.8 | 0 | 0 | 109.1 | Y5 | Y5-E24 VanDerWaalsContact CD1-OE1 3.24Å; Y5-E24 WeakPolarHBondContact CD1-OE1 3.45Å; Y5-E24 WeakPolarHBondContact CE1-OE1 3.47Å | ||
| 25 | V | 53.3 | Low | 58.1 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 108.7 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | Y8 Q23 L27 | Y8-V25 HydrophobicContact CD1-CG2 4.39Å; Y8-V25 HydrophobicContact CE1-CG2 3.75Å; Q23-V25 HydrophobicContact CG-CG2 4.49Å; V25-L27 HydrophobicContact CG1-CD2 3.81Å; V25-L27 HydrophobicContact CG1-CG 4.31Å |
| 26 | V | 58.3 | Low | 59.4 | Low | 79 Ų | 79 | 97 Ų | 97 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | trans | -83.5 | 117.7 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 27 | L | 64.4 | Low | 60.6 | Low | 79 Ų | 79 | 93.7 Ų | 93.7 | 41% | 0.414 | 48% | 0.477 | S | S | . | . | trans | -99.3 | 119.1 | 175.2 | -58.9 | 175.6 | 0 | 0 | 0 | 109.1 | V25 L29 L51 | V25-L27 HydrophobicContact CG1-CD2 3.81Å; V25-L27 HydrophobicContact CG1-CG 4.31Å; L27-L29 HydrophobicContact CB-CD1 4.12Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4.29Å; L27-L29 PolarHBondContact O-N 3.3Å; L27-L51 HydrophobicContact CD1-CD1 4.21Å; L27-L51 HydrophobicContact CD1-CD2 4.5Å | ||
| 28 | N | 63.2 | Low | 62.2 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 71% | 0.706 | 49% | 0.487 | S | S | * | . | trans | -76 | 77 | 171.1 | -77.6 | -10.4 | 0 | 0 | 0 | 109.4 | ||||
| 29 | L | 68 | Low | 63.4 | Low | 86 Ų | 86 | 93.4 Ų | 93.4 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | trans | -95.8 | 136.1 | 174.9 | -60.8 | 174.7 | 0 | 0 | 0 | 110.1 | L27 V31 V34 L51 | L27-L29 HydrophobicContact CB-CD1 4.12Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4.29Å; L27-L29 PolarHBondContact O-N 3.3Å; L29-V31 PolarHBondContact O-N 3.24Å; L29-V34 HydrophobicContact CB-CG2 3.68Å; L29-V34 HydrophobicContact CD1-CG2 4.05Å; L29-V34 HydrophobicContact CG-CG2 4.34Å; L29-L51 HydrophobicContact CD1-CD2 4.26Å | ||
| 30 | D | 72.9 | Confident | 64.5 | Low | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | trans | -70.9 | 106.3 | 171 | -176.9 | -9 | 0 | 0 | 0 | 109 | E32 K33 V34 | D30-E32 PolarHBondContact O-N 3.18Å; D30-E32 PolarHBondContact OD1-N 3.16Å; D30-K33 HydrophobicContact CB-CB 4.17Å; D30-K33 HydrophobicContact CB-CD 3.99Å; D30-K33 HydrophobicContact CB-CG 4.14Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.22Å; D30-K33 VanDerWaalsContact OD2-CD 3.29Å; D30-K33 WeakPolarHBondContact OD2-CD 3.37Å; D30-K33 WeakPolarHBondContact OD2-CE 3.39Å; D30-K33 WeakPolarHBondContact OD2-CG 3.47Å; D30-K33 IonicContact OD2-NZ 2.61Å; D30-K33 PolarHBondContact OD2-NZ 2.97Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.15Å | ||
| 31 | V | 72.7 | Confident | 65.6 | Low | 41 Ų | 41 | 93.2 Ų | 93.2 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -56.7 | -38.1 | -172.7 | -180 | 0 | 0 | 0 | 0 | 111.3 | M1 L29 K33 V34 C35 | M1-V31 HydrophobicContact CE-CB 3.71Å; M1-V31 HydrophobicContact CE-CG2 3.64Å; M1-V31 HydrophobicContact SD-CG2 4.17Å; L29-V31 PolarHBondContact O-N 3.24Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 2.95Å; V31-V34 PolarHBondContact O-N 3.34Å; V31-C35 VanDerWaalsContact O-CB 3.31Å; V31-C35 WeakPolarHBondContact O-CB 3.32Å; V31-C35 PolarHBondContact O-N 3.48Å; V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.38Å |
| 32 | E | 76.5 | Confident | 66.9 | Low | 154 Ų | 154 | 88.6 Ų | 88.6 | 72% | 0.72 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 179.7 | -64.7 | -175.7 | -179.8 | 0 | 0 | 111.2 | D30 S36 | D30-E32 PolarHBondContact O-N 3.18Å; D30-E32 PolarHBondContact OD1-N 3.16Å; E32-S36 WeakPolarHBondContact O-CB 3.24Å; E32-S36 PolarHBondContact O-N 3.03Å |
| 33 | K | 74.4 | Confident | 68 | Low | 99 Ų | 99 | 87.8 Ų | 87.8 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73 | -39 | 176.3 | -67.5 | -179 | -175.2 | 153.2 | 0 | 112.5 | D30 V31 S36 F39 | D30-K33 HydrophobicContact CB-CB 4.17Å; D30-K33 HydrophobicContact CB-CD 3.99Å; D30-K33 HydrophobicContact CB-CG 4.14Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.22Å; D30-K33 VanDerWaalsContact OD2-CD 3.29Å; D30-K33 WeakPolarHBondContact OD2-CD 3.37Å; D30-K33 WeakPolarHBondContact OD2-CE 3.39Å; D30-K33 WeakPolarHBondContact OD2-CG 3.47Å; D30-K33 IonicContact OD2-NZ 2.61Å; D30-K33 PolarHBondContact OD2-NZ 2.97Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 2.95Å; K33-S36 PolarHBondContact O-N 3.07Å; K33-F39 HydrophobicContact CB-CD2 4.35Å; K33-F39 HydrophobicContact CB-CE2 4.38Å; K33-F39 HydrophobicContact CB-CG 4.47Å; K33-F39 HydrophobicContact CD-CE1 4.36Å; K33-F39 HydrophobicContact CD-CZ 4.31Å; K33-F39 HydrophobicContact CG-CE1 4.37Å; K33-F39 HydrophobicContact CG-CE2 4.09Å; K33-F39 HydrophobicContact CG-CZ 3.99Å; K33-F39 WeakPolarHBondContact O-CB 3.33Å |
| 34 | V | 73.6 | Confident | 69.1 | Low | 19 Ų | 19 | 86.5 Ų | 86.5 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 111 | L29 D30 V31 S36 S42 I49 | L29-V34 HydrophobicContact CB-CG2 3.68Å; L29-V34 HydrophobicContact CD1-CG2 4.05Å; L29-V34 HydrophobicContact CG-CG2 4.34Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.15Å; V31-V34 PolarHBondContact O-N 3.34Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.15Å; V34-S42 WeakPolarHBondContact O-CB 3.45Å; V34-S42 PolarHBondContact O-N 3Å; V34-S42 PolarHBondContact O-OG 3.27Å; V34-I49 HydrophobicContact CG1-CD1 3.37Å; V34-I49 HydrophobicContact CG1-CG1 4.17Å |
| 35 | C | 72.8 | Confident | 70.5 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -79.1 | -13.1 | -179.1 | -65 | 0 | 0 | 0 | 0 | 113 | V31 | V31-C35 VanDerWaalsContact O-CB 3.31Å; V31-C35 WeakPolarHBondContact O-CB 3.32Å; V31-C35 PolarHBondContact O-N 3.48Å; V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.38Å |
| 36 | S | 73 | Confident | 71.7 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 16% | 0.161 | 46% | 0.463 | C | S | . | . | trans | -72.7 | 125.2 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | E32 K33 V34 N38 F39 | E32-S36 WeakPolarHBondContact O-CB 3.24Å; E32-S36 PolarHBondContact O-N 3.03Å; K33-S36 PolarHBondContact O-N 3.07Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.15Å; S36-N38 PolarHBondContact O-N 3.29Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-N38 PolarHBondContact OG-N 3.07Å; S36-F39 PolarHBondContact O-N 3.45Å | ||
| 37 | P | 73.4 | Confident | 72.3 | Confident | 91 Ų | 91 | 87.7 Ų | 87.7 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17 | 176.7 | 26.5 | -33.8 | 0 | 0 | 0 | 112.3 | F39 P44 | P37-F39 VanDerWaalsContact C-N 3.34Å; P37-F39 PolarHBondContact O-N 3.26Å; P37-P44 HydrophobicContact CB-CG 4.38Å |
| 38 | N | 77.9 | Confident | 72.6 | Confident | 147 Ų | 147 | 85.5 Ų | 85.5 | 79% | 0.786 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.3 | -177.9 | -62.1 | -20.7 | 0 | 0 | 0 | 113.3 | S36 | S36-N38 PolarHBondContact O-N 3.29Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-N38 PolarHBondContact OG-N 3.07Å |
| 39 | F | 71.7 | Confident | 73 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -14.2 | -177.3 | -71.1 | -93.6 | 0 | 0 | 0 | 113.3 | K33 S36 P37 Y41 | K33-F39 HydrophobicContact CB-CD2 4.35Å; K33-F39 HydrophobicContact CB-CE2 4.38Å; K33-F39 HydrophobicContact CB-CG 4.47Å; K33-F39 HydrophobicContact CD-CE1 4.36Å; K33-F39 HydrophobicContact CD-CZ 4.31Å; K33-F39 HydrophobicContact CG-CE1 4.37Å; K33-F39 HydrophobicContact CG-CE2 4.09Å; K33-F39 HydrophobicContact CG-CZ 3.99Å; K33-F39 WeakPolarHBondContact O-CB 3.33Å; S36-F39 PolarHBondContact O-N 3.45Å; P37-F39 VanDerWaalsContact C-N 3.34Å; P37-F39 PolarHBondContact O-N 3.26Å; F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 HydrophobicContact CB-CD2 3.6Å; F39-Y41 HydrophobicContact CB-CE2 3.8Å; F39-Y41 HydrophobicContact CD1-CE2 4.37Å; F39-Y41 HydrophobicContact CG-CE2 4.44Å; F39-Y41 PolarHBondContact O-N 3.44Å |
| 40 | G | 68.9 | Low | 73 | Confident | 57 Ų | 57 | 83.3 Ų | 83.3 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 73.6 | 9.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 41 | Y | 71 | Confident | 72.9 | Confident | 121 Ų | 121 | 83.2 Ų | 83.2 | 48% | 0.475 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -73.7 | -42.5 | 176 | -67.6 | -64.8 | 0 | 0 | 0 | 112.4 | F39 I49 T50 | F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 HydrophobicContact CB-CD2 3.6Å; F39-Y41 HydrophobicContact CB-CE2 3.8Å; F39-Y41 HydrophobicContact CD1-CE2 4.37Å; F39-Y41 HydrophobicContact CG-CE2 4.44Å; F39-Y41 PolarHBondContact O-N 3.44Å; Y41-I49 WeakPolarHBondContact O-CA 3.5Å; Y41-I49 WeakPolarHBondContact O-CG1 3.45Å; Y41-T50 PolarHBondContact O-N 2.85Å |
| 42 | S | 74.4 | Confident | 72.7 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 19% | 0.189 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.7 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | V34 P44 A48 | V34-S42 WeakPolarHBondContact O-CB 3.45Å; V34-S42 PolarHBondContact O-N 3Å; V34-S42 PolarHBondContact O-OG 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.38Å; S42-A48 CarbonylContact C-O 3.58Å; S42-A48 WeakPolarHBondContact CA-O 3.43Å |
| 43 | R | 70.3 | Confident | 72.2 | Confident | 136 Ų | 136 | 88.6 Ų | 88.6 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 99 | 169.5 | -174.1 | 175.4 | 154.9 | -139.4 | -15.9 | 107.6 | S45 D46 N47 A48 | R43-S45 WeakPolarHBondContact CG-OG 3.23Å; R43-S45 PolarHBondContact NE-OG 3.49Å; R43-S45 PolarHBondContact NH2-OG 2.67Å; R43-S45 PolarHBondContact O-N 3.09Å; R43-D46 WeakPolarHBondContact CB-OD1 3.39Å; R43-D46 VanDerWaalsContact CD-OD1 3.26Å; R43-D46 WeakPolarHBondContact CD-OD1 3.41Å; R43-D46 WeakPolarHBondContact CG-OD1 3.3Å; R43-D46 IonicContact CZ-OD1 3.74Å; R43-D46 IonicContact CZ-OD2 3.42Å; R43-D46 IonicContact NE-OD1 3.21Å; R43-D46 PolarHBondContact NE-OD1 3.02Å; R43-D46 IonicContact NE-OD2 3.55Å; R43-D46 IonicContact NH1-OD1 3.43Å; R43-D46 IonicContact NH1-OD2 3.77Å; R43-D46 PolarHBondContact NH1-OD2 3.46Å; R43-D46 IonicContact NH2-OD2 2.73Å; R43-D46 PolarHBondContact NH2-OD2 3Å; R43-D46 PolarHBondContact O-N 3.3Å; R43-N47 PolarHBondContact O-N 2.81Å; R43-N47 VanDerWaalsContact O-N 3.17Å; R43-A48 PolarHBondContact N-O 3.21Å; R43-A48 PolarHBondContact O-N 2.98Å |
| 44 | P | 71.3 | Confident | 71.5 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.6 | -175.2 | -26.7 | 34.9 | 0 | 0 | 0 | 114.1 | P37 S42 D46 | P37-P44 HydrophobicContact CB-CG 4.38Å; S42-P44 WeakPolarHBondContact O-CD 3.38Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.4Å |
| 45 | S | 78.6 | Confident | 71.2 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.4 | -177.8 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | R43 | R43-S45 WeakPolarHBondContact CG-OG 3.23Å; R43-S45 PolarHBondContact NE-OG 3.49Å; R43-S45 PolarHBondContact NH2-OG 2.67Å; R43-S45 PolarHBondContact O-N 3.09Å |
| 46 | D | 78.8 | Confident | 70.6 | Confident | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 15 | -175.3 | 59.2 | -15.6 | 0 | 0 | 0 | 112.9 | R43 P44 A48 | R43-D46 WeakPolarHBondContact CB-OD1 3.39Å; R43-D46 VanDerWaalsContact CD-OD1 3.26Å; R43-D46 WeakPolarHBondContact CD-OD1 3.41Å; R43-D46 WeakPolarHBondContact CG-OD1 3.3Å; R43-D46 IonicContact CZ-OD1 3.74Å; R43-D46 IonicContact CZ-OD2 3.42Å; R43-D46 IonicContact NE-OD1 3.21Å; R43-D46 PolarHBondContact NE-OD1 3.02Å; R43-D46 IonicContact NE-OD2 3.55Å; R43-D46 IonicContact NH1-OD1 3.43Å; R43-D46 IonicContact NH1-OD2 3.77Å; R43-D46 PolarHBondContact NH1-OD2 3.46Å; R43-D46 IonicContact NH2-OD2 2.73Å; R43-D46 PolarHBondContact NH2-OD2 3Å; R43-D46 PolarHBondContact O-N 3.3Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.4Å; D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 VanDerWaalsContact O-N 3.09Å |
| 47 | N | 70.6 | Confident | 69.9 | Low | 141 Ų | 141 | 105.1 Ų | 105.1 | 75% | 0.754 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 33.4 | -177.4 | -67.1 | -25.2 | 0 | 0 | 0 | 113.1 | R43 | R43-N47 PolarHBondContact O-N 2.81Å; R43-N47 VanDerWaalsContact O-N 3.17Å |
| 48 | A | 71.3 | Confident | 69.2 | Low | 33 Ų | 33 | 103.8 Ų | 103.8 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 147 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | S42 R43 D46 | S42-A48 CarbonylContact C-O 3.58Å; S42-A48 WeakPolarHBondContact CA-O 3.43Å; R43-A48 PolarHBondContact N-O 3.21Å; R43-A48 PolarHBondContact O-N 2.98Å; D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 VanDerWaalsContact O-N 3.09Å |
| 49 | I | 71.8 | Confident | 68.5 | Low | 68 Ų | 68 | 102.4 Ų | 102.4 | 35% | 0.349 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | 167.6 | -168.3 | 176.4 | 0 | 0 | 0 | 108.8 | V34 Y41 L51 | V34-I49 HydrophobicContact CG1-CD1 3.37Å; V34-I49 HydrophobicContact CG1-CG1 4.17Å; Y41-I49 WeakPolarHBondContact O-CA 3.5Å; Y41-I49 WeakPolarHBondContact O-CG1 3.45Å; I49-L51 HydrophobicContact CD1-CD2 3.89Å; I49-L51 HydrophobicContact CD1-CG 4.34Å; I49-L51 HydrophobicContact CG1-CD2 4.21Å; I49-L51 HydrophobicContact CG1-CG 4.36Å; I49-L51 HydrophobicContact CG2-CG 4.39Å |
| 50 | T | 67.6 | Low | 68 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | trans | -99.3 | 113.9 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 109 | Y41 | Y41-T50 PolarHBondContact O-N 2.85Š| ||
| 51 | L | 69.4 | Low | 67.4 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | trans | -108.6 | 130.7 | 174.4 | -62.6 | 174 | 0 | 0 | 0 | 109.4 | V6 L27 L29 I49 | V6-L51 HydrophobicContact CG2-CD1 3.81Å; L27-L51 HydrophobicContact CD1-CD1 4.21Å; L27-L51 HydrophobicContact CD1-CD2 4.5Å; L29-L51 HydrophobicContact CD1-CD2 4.26Å; I49-L51 HydrophobicContact CD1-CD2 3.89Å; I49-L51 HydrophobicContact CD1-CG 4.34Å; I49-L51 HydrophobicContact CG1-CD2 4.21Å; I49-L51 HydrophobicContact CG1-CG 4.36Å; I49-L51 HydrophobicContact CG2-CG 4.39Å | ||
| 52 | R | 68.5 | Low | 66.5 | Low | 198 Ų | 198 | 95.5 Ų | 95.5 | 75% | 0.747 | 48% | 0.478 | S | S | * | . | trans | -108.6 | 107.8 | 171.6 | -174.1 | 174.2 | -176.5 | -112.9 | -4.8 | 108.5 | E54 | R52-E54 HydrophobicContact CG-CG 4.29Å; R52-E54 VanDerWaalsContact CZ-CD 3.41Å; R52-E54 IonicContact CZ-OE1 2.74Å; R52-E54 IonicContact NE-OE1 3.26Å; R52-E54 IonicContact NH1-OE1 3.91Å; R52-E54 PolarHBondContact NH1-OE1 2.74Å; R52-E54 IonicContact NH1-OE2 3.09Å; R52-E54 PolarHBondContact NH1-OE2 2.82Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 3.02Å | ||
| 53 | I | 67.8 | Low | 65.6 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | trans | -95.7 | 116.2 | 175.8 | -56.8 | 174.4 | 0 | 0 | 0 | 107.5 | ||||
| 54 | E | 58.7 | Low | 65 | Low | 105 Ų | 105 | 94.4 Ų | 94.4 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | trans | -106.3 | 126.2 | 173.9 | -66.8 | -173.8 | 122.3 | 0 | 0 | 110 | R52 L56 | R52-E54 HydrophobicContact CG-CG 4.29Å; R52-E54 VanDerWaalsContact CZ-CD 3.41Å; R52-E54 IonicContact CZ-OE1 2.74Å; R52-E54 IonicContact NE-OE1 3.26Å; R52-E54 IonicContact NH1-OE1 3.91Å; R52-E54 PolarHBondContact NH1-OE1 2.74Å; R52-E54 IonicContact NH1-OE2 3.09Å; R52-E54 PolarHBondContact NH1-OE2 2.82Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 3.02Å; E54-L56 HydrophobicContact CB-CG 4.49Å | ||
| 55 | W | 66.9 | Low | 64.4 | Low | 212 Ų | 212 | 98.4 Ų | 98.4 | 80% | 0.803 | 51% | 0.514 | S | S | * | . | trans | -90.6 | 107.1 | 167.3 | -61.3 | 98 | 0 | 0 | 0 | 107.9 | ||||
| 56 | L | 60.4 | Low | 63.3 | Low | 70 Ų | 70 | 99 Ų | 99 | 37% | 0.366 | 50% | 0.503 | S | S | . | . | trans | -101.5 | 137.5 | 175.1 | -65 | 175.5 | 0 | 0 | 0 | 109.5 | E54 L61 | E54-L56 HydrophobicContact CB-CG 4.49Å; L56-L61 HydrophobicContact CB-CD2 3.93Å; L56-L61 HydrophobicContact CB-CG 4.08Å; L56-L61 HydrophobicContact CD1-CD2 3.71Å; L56-L61 HydrophobicContact CG-CD2 4.48Å | ||
| 57 | Y | 58.8 | Low | 62.4 | Low | 166 Ų | 166 | 103.1 Ų | 103.1 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | trans | -63.7 | 141.7 | 171 | -66.2 | -76.4 | 0 | 0 | 0 | 109.9 | H59 I60 L61 | Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 WeakPolarHBondContact CB-ND1 3.31Å; Y57-H59 AromaticContact CG-CE1 3.68Å; Y57-H59 PolarHBondContact O-N 3.04Å; Y57-H59 VanDerWaalsContact O-N 3.12Å; Y57-I60 HydrophobicContact CD2-CD1 4.07Å; Y57-I60 WeakPolarHBondContact O-CB 3.47Å; Y57-I60 PolarHBondContact O-N 3.27Å; Y57-L61 PolarHBondContact O-N 3.28Å | ||
| 58 | S | 59.6 | Low | 61.7 | Low | 63 Ų | 63 | 103.4 Ų | 103.4 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.1 | -33.4 | -177.9 | 54 | 0 | 0 | 0 | 0 | 113.6 | I60 L61 C62 | S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.45Å; S58-L61 PolarHBondContact O-N 3.3Å; S58-C62 PolarHBondContact O-N 3.43Å; S58-C62 PolarHBondContact O-SG 3.07Å |
| 59 | H | 63.1 | Low | 61.1 | Low | 119 Ų | 119 | 107 Ų | 107 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68 | -27.4 | 176.7 | 66.9 | -94.9 | 0 | 0 | 0 | 113.4 | Y57 S63 | Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 WeakPolarHBondContact CB-ND1 3.31Å; Y57-H59 AromaticContact CG-CE1 3.68Å; Y57-H59 PolarHBondContact O-N 3.04Å; Y57-H59 VanDerWaalsContact O-N 3.12Å; H59-S63 PolarHBondContact O-OG 2.89Å |
| 60 | I | 59.3 | Low | 60.8 | Low | 74 Ų | 74 | 106.8 Ų | 106.8 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.1 | -39.4 | 175.9 | -58.1 | 177.7 | 0 | 0 | 0 | 109.7 | Y57 S58 C62 S63 | Y57-I60 HydrophobicContact CD2-CD1 4.07Å; Y57-I60 WeakPolarHBondContact O-CB 3.47Å; Y57-I60 PolarHBondContact O-N 3.27Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.45Å; I60-C62 VanDerWaalsContact C-N 3.29Å; I60-C62 PolarHBondContact O-N 2.89Å; I60-S63 PolarHBondContact O-N 2.64Å; I60-S63 VanDerWaalsContact O-N 3.14Å |
| 61 | L | 57 | Low | 60.6 | Low | 20 Ų | 20 | 109.5 Ų | 109.5 | 11% | 0.105 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.8 | -66.4 | 174.5 | 0 | 0 | 0 | 112 | L56 Y57 S58 S63 Y66 Y69 V73 | L56-L61 HydrophobicContact CB-CD2 3.93Å; L56-L61 HydrophobicContact CB-CG 4.08Å; L56-L61 HydrophobicContact CD1-CD2 3.71Å; L56-L61 HydrophobicContact CG-CD2 4.48Å; Y57-L61 PolarHBondContact O-N 3.28Å; S58-L61 PolarHBondContact O-N 3.3Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.48Å; L61-Y66 VanDerWaalsContact O-CB 3.31Å; L61-Y66 WeakPolarHBondContact O-CB 3.47Å; L61-Y69 HydrophobicContact CD1-CD1 4.3Å; L61-Y69 HydrophobicContact CD2-CD1 4.05Å; L61-Y69 HydrophobicContact CD2-CD2 4.39Å; L61-Y69 HydrophobicContact CD2-CE1 4.46Å; L61-Y69 HydrophobicContact CD2-CG 3.99Å; L61-V73 HydrophobicContact CB-CG2 4.49Å |
| 62 | C | 52.4 | Low | 60.5 | Low | 49 Ų | 49 | 110.3 Ų | 110.3 | 33% | 0.331 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.8 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 114.9 | S58 I60 | S58-C62 PolarHBondContact O-N 3.43Å; S58-C62 PolarHBondContact O-SG 3.07Å; I60-C62 VanDerWaalsContact C-N 3.29Å; I60-C62 PolarHBondContact O-N 2.89Å |
| 63 | S | 55.9 | Low | 60.5 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 73% | 0.734 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -1.9 | -170.6 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | H59 I60 L61 | H59-S63 PolarHBondContact O-OG 2.89Å; I60-S63 PolarHBondContact O-N 2.64Å; I60-S63 VanDerWaalsContact O-N 3.14Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.48Å |
| 64 | G | 58.3 | Low | 60.6 | Low | 36 Ų | 36 | 98.5 Ų | 98.5 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -120.7 | -168.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y66 | G64-Y66 PolarHBondContact O-N 2.89Š|
| 65 | D | 57.5 | Low | 61.3 | Low | 172 Ų | 172 | 99.2 Ų | 99.2 | 92% | 0.92 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -71 | 32.2 | 173.4 | -62.3 | -39.1 | 0 | 0 | 0 | 112.8 | Q67 | D65-Q67 PolarHBondContact O-N 3.49Š|
| 66 | Y | 56.8 | Low | 61.7 | Low | 104 Ų | 104 | 94.3 Ų | 94.3 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | trans | -103.2 | 40.3 | -170.9 | -70.4 | -62.2 | 0 | 0 | 0 | 110.4 | L61 G64 N68 Y69 | L61-Y66 VanDerWaalsContact O-CB 3.31Å; L61-Y66 WeakPolarHBondContact O-CB 3.47Å; G64-Y66 PolarHBondContact O-N 2.89Å; Y66-N68 PolarHBondContact O-N 3.37Å; Y66-Y69 AromaticContact CD1-CD2 3.78Å; Y66-Y69 HydrophobicContact CD1-CD2 3.78Å; Y66-Y69 AromaticContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CE1-CE2 4.35Å; Y66-Y69 HydrophobicContact CG-CD2 4.07Å; Y66-Y69 HydrophobicContact CG-CE2 4.32Å; Y66-Y69 WeakPolarHBondContact O-CA 3.37Å; Y66-Y69 WeakPolarHBondContact O-CB 3.34Å; Y66-Y69 PolarHBondContact O-N 2.92Å | ||
| 67 | Q | 58.2 | Low | 62.6 | Low | 149 Ų | 149 | 98.4 Ų | 98.4 | 70% | 0.696 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -53.1 | -31.2 | -179.4 | -69.9 | -175.1 | -7 | 0 | 0 | 113 | D65 Y69 D70 | D65-Q67 PolarHBondContact O-N 3.49Å; Q67-Y69 PolarHBondContact O-N 2.78Å; Q67-D70 WeakPolarHBondContact O-CB 3.05Å; Q67-D70 PolarHBondContact O-N 2.84Å; Q67-D70 VanDerWaalsContact O-N 3.11Å |
| 68 | N | 55.8 | Low | 63.5 | Low | 147 Ų | 147 | 97.8 Ų | 97.8 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -24.4 | 175.5 | -62.2 | -24.1 | 0 | 0 | 0 | 113.3 | Y66 | Y66-N68 PolarHBondContact O-N 3.37Å |
| 69 | Y | 60.4 | Low | 64.6 | Low | 108 Ų | 108 | 97.3 Ų | 97.3 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -90.6 | -15.7 | 178.7 | -61 | -89.3 | 0 | 0 | 0 | 112.3 | L61 Y66 Q67 E71 L72 V73 | L61-Y69 HydrophobicContact CD1-CD1 4.3Å; L61-Y69 HydrophobicContact CD2-CD1 4.05Å; L61-Y69 HydrophobicContact CD2-CD2 4.39Å; L61-Y69 HydrophobicContact CD2-CE1 4.46Å; L61-Y69 HydrophobicContact CD2-CG 3.99Å; Y66-Y69 AromaticContact CD1-CD2 3.78Å; Y66-Y69 HydrophobicContact CD1-CD2 3.78Å; Y66-Y69 AromaticContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CE1-CE2 4.35Å; Y66-Y69 HydrophobicContact CG-CD2 4.07Å; Y66-Y69 HydrophobicContact CG-CE2 4.32Å; Y66-Y69 WeakPolarHBondContact O-CA 3.37Å; Y66-Y69 WeakPolarHBondContact O-CB 3.34Å; Y66-Y69 PolarHBondContact O-N 2.92Å; Q67-Y69 PolarHBondContact O-N 2.78Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.12Å; Y69-L72 PolarHBondContact O-N 2.96Å; Y69-L72 VanDerWaalsContact O-N 3.13Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.89Å |
| 70 | D | 63.9 | Low | 65.6 | Low | 65 Ų | 65 | 96.9 Ų | 96.9 | 35% | 0.348 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.9 | -70.4 | -27.6 | 0 | 0 | 0 | 111.2 | Q67 L72 V73 A74 | Q67-D70 WeakPolarHBondContact O-CB 3.05Å; Q67-D70 PolarHBondContact O-N 2.84Å; Q67-D70 VanDerWaalsContact O-N 3.11Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 2.92Å; D70-V73 PolarHBondContact O-N 2.86Å; D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.73Å |
| 71 | E | 65.1 | Low | 66.9 | Low | 160 Ų | 160 | 98.9 Ų | 98.9 | 75% | 0.748 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 173.5 | -68.2 | -172.1 | 179 | 0 | 0 | 111.9 | Y69 A74 K75 | Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.12Å; E71-A74 PolarHBondContact O-N 3.22Å; E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 PolarHBondContact O-N 3.31Å |
| 72 | L | 67.4 | Low | 68.2 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 179.1 | -170.7 | 134 | 0 | 0 | 0 | 111.1 | Y69 D70 K75 Q76 | Y69-L72 PolarHBondContact O-N 2.96Å; Y69-L72 VanDerWaalsContact O-N 3.13Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 2.92Å; L72-K75 PolarHBondContact O-N 2.85Å; L72-Q76 HydrophobicContact CD2-CG 4.45Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.91Å |
| 73 | V | 67.9 | Low | 69.8 | Low | 5 Ų | 5 | 104.4 Ų | 104.4 | 3% | 0.03 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L61 Y69 D70 K75 Q76 R77 | L61-V73 HydrophobicContact CB-CG2 4.49Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.89Å; D70-V73 PolarHBondContact O-N 2.86Å; V73-K75 PolarHBondContact O-N 3.49Å; V73-Q76 PolarHBondContact O-N 3.45Å; V73-R77 HydrophobicContact CG1-CG 4.4Å; V73-R77 WeakPolarHBondContact O-CB 3.31Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.38Å; V73-R77 PolarHBondContact O-N 2.97Å |
| 74 | A | 68.8 | Low | 71.2 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D70 E71 R77 Y78 | D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.73Å; E71-A74 PolarHBondContact O-N 3.22Å; A74-R77 PolarHBondContact O-N 3.41Å; A74-Y78 WeakPolarHBondContact O-CB 3.47Å; A74-Y78 PolarHBondContact O-N 3.4Å |
| 75 | K | 73.9 | Confident | 72.6 | Confident | 121 Ų | 121 | 105.6 Ų | 105.6 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 176.2 | -171.4 | 175.5 | -177.1 | 177.9 | 0 | 112.1 | E71 L72 V73 Y78 N79 | E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.85Å; V73-K75 PolarHBondContact O-N 3.49Å; K75-Y78 PolarHBondContact O-N 2.94Å; K75-N79 WeakPolarHBondContact O-CB 3.39Å; K75-N79 VanDerWaalsContact O-CG 3.28Å; K75-N79 PolarHBondContact O-N 3.17Å; K75-N79 PolarHBondContact O-ND2 2.8Å |
| 76 | Q | 76.2 | Confident | 73.9 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 173.4 | -77.7 | 178.6 | -11.7 | 0 | 0 | 111.4 | L72 V73 N79 L80 | L72-Q76 HydrophobicContact CD2-CG 4.45Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.91Å; V73-Q76 PolarHBondContact O-N 3.45Å; Q76-N79 PolarHBondContact O-N 3.16Å; Q76-L80 WeakPolarHBondContact O-CB 3.2Å; Q76-L80 PolarHBondContact O-N 3.03Å |
| 77 | R | 77.7 | Confident | 75.4 | Confident | 157 Ų | 157 | 102.3 Ų | 102.3 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 174.9 | -74.9 | 176.5 | 177.4 | -178 | 1.9 | 111.7 | V73 A74 L80 L81 | V73-R77 HydrophobicContact CG1-CG 4.4Å; V73-R77 WeakPolarHBondContact O-CB 3.31Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.38Å; V73-R77 PolarHBondContact O-N 2.97Å; A74-R77 PolarHBondContact O-N 3.41Å; R77-L80 PolarHBondContact O-N 3.32Å; R77-L81 WeakPolarHBondContact O-CB 3.24Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.93Å |
| 78 | Y | 79.4 | Confident | 76.8 | Confident | 153 Ų | 153 | 99.5 Ų | 99.5 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.5 | -47.8 | 176.7 | 174.6 | -96.9 | 0 | 0 | 0 | 111.8 | A74 K75 L80 L81 R82 | A74-Y78 WeakPolarHBondContact O-CB 3.47Å; A74-Y78 PolarHBondContact O-N 3.4Å; K75-Y78 PolarHBondContact O-N 2.94Å; Y78-L80 PolarHBondContact O-N 2.83Å; Y78-L81 PolarHBondContact O-N 3.15Å; Y78-R82 WeakPolarHBondContact O-CB 3.16Å; Y78-R82 PolarHBondContact O-N 3.46Å |
| 79 | N | 82.5 | Confident | 78.3 | Confident | 53 Ų | 53 | 96.9 Ų | 96.9 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 177.9 | -71.7 | -21.5 | 0 | 0 | 0 | 111.5 | K75 Q76 L81 R82 D83 | K75-N79 WeakPolarHBondContact O-CB 3.39Å; K75-N79 VanDerWaalsContact O-CG 3.28Å; K75-N79 PolarHBondContact O-N 3.17Å; K75-N79 PolarHBondContact O-ND2 2.8Å; Q76-N79 PolarHBondContact O-N 3.16Å; N79-L81 PolarHBondContact O-N 2.93Å; N79-R82 WeakPolarHBondContact O-CB 3.28Å; N79-R82 PolarHBondContact O-N 3.49Å; N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 PolarHBondContact O-N 3.32Å |
| 80 | L | 84.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 177.8 | -177.3 | 64.7 | 0 | 0 | 0 | 111.8 | Q76 R77 Y78 R82 D83 I84 | Q76-L80 WeakPolarHBondContact O-CB 3.2Å; Q76-L80 PolarHBondContact O-N 3.03Å; R77-L80 PolarHBondContact O-N 3.32Å; Y78-L80 PolarHBondContact O-N 2.83Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-D83 PolarHBondContact O-N 2.89Å; L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 4.01Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 2.87Å |
| 81 | L | 85.4 | Confident | 80.4 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 176.9 | -75.1 | 169.8 | 0 | 0 | 0 | 111.9 | R77 Y78 N79 I84 N85 | R77-L81 WeakPolarHBondContact O-CB 3.24Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.93Å; Y78-L81 PolarHBondContact O-N 3.15Å; N79-L81 PolarHBondContact O-N 2.93Å; L81-I84 PolarHBondContact O-N 3.44Å; L81-N85 WeakPolarHBondContact O-CB 3.39Å; L81-N85 PolarHBondContact O-N 2.9Å |
| 82 | R | 85.6 | Confident | 81.3 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.6 | -174.8 | -172.4 | 67.4 | -174.1 | -1.6 | 111.2 | Y78 N79 L80 N85 N86 | Y78-R82 WeakPolarHBondContact O-CB 3.16Å; Y78-R82 PolarHBondContact O-N 3.46Å; N79-R82 WeakPolarHBondContact O-CB 3.28Å; N79-R82 PolarHBondContact O-N 3.49Å; L80-R82 VanDerWaalsContact C-N 3.34Å; R82-N85 PolarHBondContact O-N 3.5Å; R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 2.95Å; R82-N86 PolarHBondContact O-OD1 2.92Å |
| 83 | D | 85.1 | Confident | 82.1 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | -179.5 | -64.8 | -9.1 | 0 | 0 | 0 | 111.5 | N79 L80 K87 | N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 PolarHBondContact O-N 3.32Å; L80-D83 PolarHBondContact O-N 2.89Å; D83-K87 WeakPolarHBondContact O-CB 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.32Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.06Å |
| 84 | I | 86 | Confident | 82.9 | Confident | 73 Ų | 73 | 102 Ų | 102 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 171.2 | -69.7 | 165.3 | 0 | 0 | 0 | 110.2 | L80 L81 N86 K87 D88 | L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 4.01Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 2.87Å; L81-I84 PolarHBondContact O-N 3.44Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.27Å; I84-K87 WeakPolarHBondContact O-CB 3.37Å; I84-K87 PolarHBondContact O-N 3.33Å; I84-K87 VanDerWaalsContact O-N 3.16Å; I84-D88 PolarHBondContact O-N 3.26Å |
| 85 | N | 86.4 | Confident | 83.5 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | -178.8 | -167.7 | 31.5 | 0 | 0 | 0 | 112.2 | L81 R82 D88 L89 | L81-N85 WeakPolarHBondContact O-CB 3.39Å; L81-N85 PolarHBondContact O-N 2.9Å; R82-N85 PolarHBondContact O-N 3.5Å; N85-D88 PolarHBondContact O-N 3.3Å; N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 3.31Å |
| 86 | N | 86.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 102 Ų | 102 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 174.3 | -71 | -12.6 | 0 | 0 | 0 | 111.3 | R82 I84 D88 L89 E90 | R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 2.95Å; R82-N86 PolarHBondContact O-OD1 2.92Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.27Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 3.12Å; N86-L89 PolarHBondContact O-N 3.35Å; N86-E90 WeakPolarHBondContact O-CG 3.47Å; N86-E90 PolarHBondContact O-N 3.21Å |
| 87 | K | 87.9 | Confident | 83.9 | Confident | 134 Ų | 134 | 100.7 Ų | 100.7 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 175.6 | -75.9 | 178.4 | 177.4 | -177.2 | 0 | 112.7 | D83 I84 E90 N91 | D83-K87 WeakPolarHBondContact O-CB 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.32Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.06Å; I84-K87 WeakPolarHBondContact O-CB 3.37Å; I84-K87 PolarHBondContact O-N 3.33Å; I84-K87 VanDerWaalsContact O-N 3.16Å; K87-E90 PolarHBondContact O-N 3.15Å; K87-N91 WeakPolarHBondContact O-CB 3.45Å; K87-N91 VanDerWaalsContact O-CG 3.26Å; K87-N91 PolarHBondContact O-N 2.99Å; K87-N91 PolarHBondContact O-ND2 3.47Å |
| 88 | D | 87.5 | Confident | 83.8 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.6 | -73.2 | -20.6 | 0 | 0 | 0 | 111.2 | I84 N85 N86 N91 E92 | I84-D88 PolarHBondContact O-N 3.26Å; N85-D88 PolarHBondContact O-N 3.3Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 3.12Å; D88-N91 PolarHBondContact O-N 2.86Å; D88-E92 PolarHBondContact O-N 3.36Å |
| 89 | L | 86.5 | Confident | 83.4 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 173.3 | -73.8 | 166.6 | 0 | 0 | 0 | 112.5 | N85 N86 N91 E92 H93 | N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 3.31Å; N86-L89 PolarHBondContact O-N 3.35Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.95Å; L89-E92 PolarHBondContact O-N 2.82Å; L89-H93 WeakPolarHBondContact O-CB 3.45Å; L89-H93 PolarHBondContact O-N 3.35Å |
| 90 | E | 86.2 | Confident | 82.4 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 174.5 | -75.1 | 175 | -176.4 | 0 | 0 | 111.3 | N86 K87 H93 L94 | N86-E90 WeakPolarHBondContact O-CG 3.47Å; N86-E90 PolarHBondContact O-N 3.21Å; K87-E90 PolarHBondContact O-N 3.15Å; E90-H93 PolarHBondContact O-N 3.37Å; E90-L94 WeakPolarHBondContact O-CB 3.17Å; E90-L94 PolarHBondContact O-N 3.26Å |
| 91 | N | 82.5 | Confident | 81.2 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.3 | -79.1 | -28 | 0 | 0 | 0 | 112.2 | K87 D88 L89 L94 S95 | K87-N91 WeakPolarHBondContact O-CB 3.45Å; K87-N91 VanDerWaalsContact O-CG 3.26Å; K87-N91 PolarHBondContact O-N 2.99Å; K87-N91 PolarHBondContact O-ND2 3.47Å; D88-N91 PolarHBondContact O-N 2.86Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.95Å; N91-L94 PolarHBondContact O-N 3.4Å; N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 PolarHBondContact O-OG 3.16Å |
| 92 | E | 85.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.7 | -168.8 | -170.5 | 157.2 | 0 | 0 | 110.6 | D88 L89 L94 S95 K96 | D88-E92 PolarHBondContact O-N 3.36Å; L89-E92 PolarHBondContact O-N 2.82Å; E92-L94 PolarHBondContact O-N 2.89Å; E92-S95 PolarHBondContact O-N 2.97Å; E92-S95 PolarHBondContact O-OG 3.2Å; E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.07Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.64Å; E92-K96 PolarHBondContact OE1-NZ 3.4Å |
| 93 | H | 83.3 | Confident | 78.5 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 177.4 | -174.6 | -101.4 | 0 | 0 | 0 | 111.9 | L89 E90 S95 K96 L97 | L89-H93 WeakPolarHBondContact O-CB 3.45Å; L89-H93 PolarHBondContact O-N 3.35Å; E90-H93 PolarHBondContact O-N 3.37Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.7Å; H93-K96 PolarHBondContact O-N 3.14Å; H93-L97 PolarHBondContact O-N 2.89Å |
| 94 | L | 84.9 | Confident | 76.9 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 45% | 0.45 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.1 | -165.1 | 69.4 | 0 | 0 | 0 | 111.9 | E90 N91 E92 L97 K98 | E90-L94 WeakPolarHBondContact O-CB 3.17Å; E90-L94 PolarHBondContact O-N 3.26Å; N91-L94 PolarHBondContact O-N 3.4Å; E92-L94 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.49Å; L94-K98 WeakPolarHBondContact O-CG 3.5Å; L94-K98 PolarHBondContact O-N 2.91Å |
| 95 | S | 80.2 | Confident | 75.2 | Confident | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.8 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | N91 E92 H93 L99 | N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 PolarHBondContact O-OG 3.16Å; E92-S95 PolarHBondContact O-N 2.97Å; E92-S95 PolarHBondContact O-OG 3.2Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.7Å; S95-L99 PolarHBondContact O-N 2.77Å |
| 96 | K | 81.4 | Confident | 73.5 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 47% | 0.474 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 175 | -71.4 | 174.3 | -176.9 | 169.3 | 0 | 112 | E92 H93 L99 N100 | E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.07Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.64Å; E92-K96 PolarHBondContact OE1-NZ 3.4Å; H93-K96 PolarHBondContact O-N 3.14Å; K96-L99 PolarHBondContact O-N 3.36Å; K96-N100 PolarHBondContact O-N 3.14Å |
| 97 | L | 77.5 | Confident | 71.6 | Confident | 82 Ų | 82 | 110.4 Ų | 110.4 | 43% | 0.429 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 175.4 | -73.6 | 175 | 0 | 0 | 0 | 112.1 | H93 L94 L99 N100 Q101 | H93-L97 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.49Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.27Å; L97-N100 PolarHBondContact O-N 2.61Å; L97-Q101 PolarHBondContact O-N 2.74Å |
| 98 | K | 75.4 | Confident | 69.7 | Low | 130 Ų | 130 | 112.6 Ų | 112.6 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | 175.4 | -75.1 | -179.1 | 178.4 | -177.9 | 0 | 112.1 | L94 Q101 V102 | L94-K98 WeakPolarHBondContact O-CG 3.5Å; L94-K98 PolarHBondContact O-N 2.91Å; K98-Q101 PolarHBondContact O-N 3.42Å; K98-V102 WeakPolarHBondContact O-CG2 3.09Å; K98-V102 PolarHBondContact O-N 3.33Å; K98-V102 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 70.9 | Confident | 67.8 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.8 | -37.9 | 176.9 | -172.4 | 65.2 | 0 | 0 | 0 | 112.3 | S95 K96 L97 V102 S103 | S95-L99 PolarHBondContact O-N 2.77Å; K96-L99 PolarHBondContact O-N 3.36Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.27Å; L99-V102 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-N 2.87Å; L99-S103 PolarHBondContact O-OG 2.88Å |
| 100 | N | 61.5 | Low | 66 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.2 | -37.7 | 177.5 | -70.9 | -13.7 | 0 | 0 | 0 | 112.2 | K96 L97 S103 T104 | K96-N100 PolarHBondContact O-N 3.14Å; L97-N100 PolarHBondContact O-N 2.61Å; N100-S103 PolarHBondContact O-N 3.34Å; N100-T104 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-OG1 3.4Å |
| 101 | Q | 58.9 | Low | 64.1 | Low | 141 Ų | 141 | 120.7 Ų | 120.7 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.7 | -35.4 | 174.3 | -82.6 | -174.4 | -10.3 | 0 | 0 | 113.1 | L97 K98 S103 | L97-Q101 PolarHBondContact O-N 2.74Å; K98-Q101 PolarHBondContact O-N 3.42Å; Q101-S103 VanDerWaalsContact C-N 3.28Å |
| 102 | V | 58.7 | Low | 62.6 | Low | 103 Ų | 103 | 124.9 Ų | 124.9 | 62% | 0.624 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.7 | -27.9 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | K98 L99 | K98-V102 WeakPolarHBondContact O-CG2 3.09Å; K98-V102 PolarHBondContact O-N 3.33Å; K98-V102 VanDerWaalsContact O-N 3.15Å; L99-V102 PolarHBondContact O-N 3.49Å |
| 103 | S | 56.2 | Low | 60.6 | Low | 80 Ų | 80 | 130.9 Ų | 130.9 | 56% | 0.559 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.5 | -22.3 | -178.2 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | L99 N100 Q101 | L99-S103 PolarHBondContact O-N 2.87Å; L99-S103 PolarHBondContact O-OG 2.88Å; N100-S103 PolarHBondContact O-N 3.34Å; Q101-S103 VanDerWaalsContact C-N 3.28Å |
| 104 | T | 50.7 | Low | 58.9 | Low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -97.5 | -11.5 | -177 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | N100 | N100-T104 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-OG1 3.4Å |
| 105 | S | 52.2 | Low | 57.1 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -92.6 | 1.7 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 106 | S | 49.6 | Very low | 55.2 | Low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -101 | 27.8 | -174.1 | 177.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 107 | R | 46.7 | Very low | 53.5 | Low | 240 Ų | 240 | 140.2 Ų | 140.2 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | trans | -117.4 | 15.2 | -174.5 | -105.7 | -173.9 | 178.1 | -173.6 | -0.5 | 117.1 | ||||
| 108 | E | 48.5 | Very low | 51.9 | Low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -139.5 | 82.9 | 175.6 | -67 | -177.1 | 172.1 | 0 | 0 | 111.2 | ||
| 109 | N | 47.1 | Very low | 50.3 | Low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | 171.8 | 79.2 | 145 | -93.1 | -28.1 | 0 | 0 | 0 | 109.5 | ||||
| 110 | E | 48.6 | Very low | 48.8 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 148 | 155.4 | -80.3 | -167.7 | 144.8 | 0 | 0 | 109.4 | ||||
| 111 | N | 46.4 | Very low | 47.8 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 89.2 | 84 | -176.5 | -50.8 | -41.9 | 0 | 0 | 0 | 113.8 | ||||
| 112 | H | 50.6 | Low | 47 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | -169.3 | 104.6 | 122.7 | -80.9 | -45.8 | 0 | 0 | 0 | 111.2 | G114 | H112-G114 PolarHBondContact O-N 2.85Š| |||
| 113 | K | 44.2 | Very low | 46.2 | Very low | 217 Ų | 217 | 154.1 Ų | 154.1 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -17.4 | 109.5 | 150.8 | -138.7 | 179.2 | -174.5 | -176.1 | 0 | 113.7 | ||||
| 114 | G | 46.6 | Very low | 45.5 | Very low | 70 Ų | 70 | 160.2 Ų | 160.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 178.2 | 94.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | H112 | H112-G114 PolarHBondContact O-N 2.85Š| ||
| 115 | K | 46.2 | Very low | 45 | Very low | 206 Ų | 206 | 159 Ų | 159 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | 45 | 105.8 | 151.1 | -73.3 | 179.1 | 174.8 | 179.3 | 0 | 118.7 | S117 | K115-S117 PolarHBondContact O-N 3.42Š| ||
| 116 | L | 41.7 | Very low | 44.5 | Very low | 184 Ų | 184 | 159.4 Ų | 159.4 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -40.4 | 118 | 155.6 | -61.1 | 159.4 | 0 | 0 | 0 | 112 | ||||
| 117 | S | 44.7 | Very low | 44 | Very low | 116 Ų | 116 | 164.2 Ų | 164.2 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -145.8 | 123.4 | 151.9 | -154.3 | 0 | 0 | 0 | 0 | 108.5 | K115 | K115-S117 PolarHBondContact O-N 3.42Š| ||
| 118 | E | 45.6 | Very low | 43.8 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -56.2 | 128.4 | -168.3 | -83.1 | 156.4 | 129.2 | 0 | 0 | 114.9 | N120 | E118-N120 PolarHBondContact O-N 3.41Š| ||
| 119 | S | 40.9 | Very low | 43.5 | Very low | 81 Ų | 81 | 162 Ų | 162 | 57% | 0.566 | 81% | 0.805 | S | S | * | * | trans | 19.2 | 96.3 | 139.5 | 58.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 120 | N | 39.4 | Very low | 43.2 | Very low | 161 Ų | 161 | 162 Ų | 162 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 37 | 163.7 | -88.6 | -49.7 | 0 | 0 | 0 | 112.2 | E118 | E118-N120 PolarHBondContact O-N 3.41Š| ||
| 121 | Y | 40.7 | Very low | 42.7 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -121 | 131.3 | 173.7 | -8.3 | -78.8 | 0 | 0 | 0 | 105.7 | ||||
| 122 | I | 42 | Very low | 42.5 | Very low | 145 Ų | 145 | 156 Ų | 156 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 91.9 | 49.5 | -172.4 | -39.8 | 152.3 | 0 | 0 | 0 | 113.9 | R124 | I122-R124 HydrophobicContact CG2-CB 3.86Å; I122-R124 HydrophobicContact CG2-CG 4.12Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-R124 VanDerWaalsContact O-N 3.16Å | ||
| 123 | K | 41 | Very low | 41.7 | Very low | 217 Ų | 217 | 153.3 Ų | 153.3 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | -79 | 72.9 | 137.7 | -100.7 | -179.2 | 179 | 175 | 0 | 107.5 | S125 | K123-S125 PolarHBondContact O-N 3.17Š| ||
| 124 | R | 42.5 | Very low | 41.5 | Very low | 208 Ų | 208 | 151.2 Ų | 151.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -58.8 | 108.3 | 168.3 | -125.8 | 174.2 | -178.2 | 161.2 | -0.5 | 106 | I122 S126 | I122-R124 HydrophobicContact CG2-CB 3.86Å; I122-R124 HydrophobicContact CG2-CG 4.12Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-R124 VanDerWaalsContact O-N 3.16Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.79Å | ||
| 125 | S | 39.2 | Very low | 41.2 | Very low | 87 Ų | 87 | 156.1 Ų | 156.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -49.1 | 94.5 | 169.4 | 161.1 | 0 | 0 | 0 | 0 | 109.3 | K123 Y127 | K123-S125 PolarHBondContact O-N 3.17Å; S125-Y127 PolarHBondContact O-N 3.08Å; S125-Y127 VanDerWaalsContact OG-CD2 3.28Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.29Å | ||
| 126 | S | 42.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -76.9 | 45.2 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | R124 L128 | R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.79Å; S126-L128 VanDerWaalsContact C-N 3.26Å | ||
| 127 | Y | 38.9 | Very low | 40 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | -99.6 | 51.6 | 157.2 | -50.1 | -68.4 | 0 | 0 | 0 | 108 | S125 R129 | S125-Y127 PolarHBondContact O-N 3.08Å; S125-Y127 VanDerWaalsContact OG-CD2 3.28Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.29Å; Y127-R129 PolarHBondContact O-N 2.8Å | ||
| 128 | L | 41.7 | Very low | 39.5 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -65 | 84.7 | 152.9 | -75.3 | 172 | 0 | 0 | 0 | 105.3 | S126 K130 | S126-L128 VanDerWaalsContact C-N 3.26Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.26Å | ||
| 129 | R | 43.4 | Very low | 38.9 | Very low | 214 Ų | 214 | 148 Ų | 148 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -57.6 | 100.9 | 167.3 | -173 | -175.9 | -117 | 179.4 | -2 | 105 | Y127 S131 | Y127-R129 PolarHBondContact O-N 2.8Å; R129-S131 PolarHBondContact O-N 3.3Å; R129-S131 PolarHBondContact O-OG 3.2Å | ||
| 130 | K | 39.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -53.3 | 88.2 | 166.8 | -70.2 | -179.1 | 172.4 | -169.7 | 0 | 107.3 | L128 S132 | L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.26Å; K130-S132 VanDerWaalsContact C-N 3.31Å | ||
| 131 | S | 39.4 | Very low | 38.2 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -100.4 | 17.4 | 179.8 | -45.6 | 0 | 0 | 0 | 0 | 110.8 | R129 | R129-S131 PolarHBondContact O-N 3.3Å; R129-S131 PolarHBondContact O-OG 3.2Å | ||
| 132 | S | 41.3 | Very low | 37.8 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -112.5 | 15.3 | -174.9 | 55.7 | 0 | 0 | 0 | 0 | 114 | K130 | K130-S132 VanDerWaalsContact C-N 3.31Š| ||
| 133 | E | 35.1 | Very low | 37.3 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | trans | -116 | 20.1 | -177.5 | -86.5 | -179.9 | -172.2 | 0 | 0 | 115.4 | ||||
| 134 | I | 38.9 | Very low | 36.7 | Very low | 173 Ų | 173 | 146 Ų | 146 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -100.5 | 10.4 | 169.1 | -42.7 | 179.5 | 0 | 0 | 0 | 111.9 | ||
| 135 | L | 40.7 | Very low | 36.1 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -99 | 43.5 | 166.1 | -85.4 | 155.1 | 0 | 0 | 0 | 110.8 | ||
| 136 | S | 30.5 | Very low | 36.1 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 54% | 0.538 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -165.7 | 94.9 | 170.9 | 32.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 137 | S | 32.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 78.5 | 153.4 | 147.8 | 74.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 138 | P | 34.1 | Very low | 35.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -113.9 | 142.9 | 10.3 | 33.1 | -17.1 | 0 | 0 | 0 | 114.4 | S140 | P138-S140 PolarHBondContact O-N 3.11Š| ||
| 139 | K | 32.7 | Very low | 35.4 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -40.2 | 94.5 | 143.3 | -75.3 | 168.5 | 169 | 173.3 | 0 | 108 | ||||
| 140 | S | 36.1 | Very low | 35 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -85.7 | 120 | 162 | 62.3 | 0 | 0 | 0 | 0 | 106 | P138 F142 | P138-S140 PolarHBondContact O-N 3.11Å; S140-F142 PolarHBondContact O-N 2.8Å | ||
| 141 | N | 28.4 | Very low | 34.8 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 95.9 | 178.6 | -62.3 | -49.5 | 0 | 0 | 0 | 109.2 | Q143 | N141-Q143 PolarHBondContact O-N 3.04Å; N141-Q143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | F | 33.1 | Very low | 34.4 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -83.3 | 73.1 | 153 | -79.4 | -79.4 | 0 | 0 | 0 | 107.6 | S140 D144 | S140-F142 PolarHBondContact O-N 2.8Å; F142-D144 PolarHBondContact O-N 3.48Å | ||
| 143 | Q | 31.6 | Very low | 34.3 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 119.9 | 161.3 | -125.9 | -177.6 | 0 | 0 | 0 | 107.3 | N141 S145 | N141-Q143 PolarHBondContact O-N 3.04Å; N141-Q143 VanDerWaalsContact O-N 3.16Å; Q143-S145 PolarHBondContact O-N 2.79Å | ||
| 144 | D | 28.3 | Very low | 34.3 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 15.7 | 99.8 | 145.8 | -76.4 | -44.8 | 0 | 0 | 0 | 116.3 | F142 | F142-D144 PolarHBondContact O-N 3.48Š|
| 145 | S | 30.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 152.6 Ų | 152.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -167.6 | 57.5 | 154.7 | -82 | 0 | 0 | 0 | 0 | 112.2 | Q143 | Q143-S145 PolarHBondContact O-N 2.79Š| ||
| 146 | F | 38.4 | Very low | 33.9 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | -111.9 | 73.4 | 153.7 | -71.9 | -72.2 | 0 | 0 | 0 | 109.4 | M148 | F146-M148 HydrophobicContact CB-CE 4.4Å; F146-M148 HydrophobicContact CD1-CE 3.97Å; F146-M148 HydrophobicContact CG-CE 4.43Å; F146-M148 PolarHBondContact O-N 3.13Å | ||
| 147 | K | 34.6 | Very low | 34.2 | Very low | 210 Ų | 210 | 154 Ų | 154 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -63.5 | 88.1 | 150.2 | -86.1 | -176.4 | 174.8 | -174.9 | 0 | 106.8 | K149 | K147-K149 VanDerWaalsContact C-N 3.34Å; K147-K149 PolarHBondContact O-N 3.44Å | ||
| 148 | M | 39.7 | Very low | 34.4 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 101.5 | 165.6 | -78.6 | -71.8 | 154.2 | 0 | 0 | 107.3 | F146 T150 | F146-M148 HydrophobicContact CB-CE 4.4Å; F146-M148 HydrophobicContact CD1-CE 3.97Å; F146-M148 HydrophobicContact CG-CE 4.43Å; F146-M148 PolarHBondContact O-N 3.13Å; M148-T150 PolarHBondContact O-N 3.43Å | ||
| 149 | K | 34 | Very low | 34.7 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 101 | 172.9 | -155 | 172.2 | -175.7 | -178.1 | 0 | 106.1 | K147 T151 | K147-K149 VanDerWaalsContact C-N 3.34Å; K147-K149 PolarHBondContact O-N 3.44Å; K149-T151 VanDerWaalsContact C-N 3.34Å; K149-T151 PolarHBondContact O-N 3.32Å | ||
| 150 | T | 34.9 | Very low | 34.9 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 92.1 | 171.2 | 41 | 0 | 0 | 0 | 0 | 108.7 | M148 S152 | M148-T150 PolarHBondContact O-N 3.43Å; T150-S152 PolarHBondContact O-N 3.32Å | ||
| 151 | T | 36.8 | Very low | 35 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 107.5 | 164.6 | 34 | 0 | 0 | 0 | 0 | 108.6 | K149 I153 | K149-T151 VanDerWaalsContact C-N 3.34Å; K149-T151 PolarHBondContact O-N 3.32Å; T151-I153 PolarHBondContact O-N 3.45Å | ||
| 152 | S | 29 | Very low | 35.3 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -61 | 117.8 | 172.3 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | T150 | T150-S152 PolarHBondContact O-N 3.32Š| ||
| 153 | I | 41.1 | Very low | 35.3 | Very low | 161 Ų | 161 | 148 Ų | 148 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -109.8 | 115.2 | 160.5 | -61.2 | -179.9 | 0 | 0 | 0 | 106.8 | T151 | T151-I153 PolarHBondContact O-N 3.45Š| ||
| 154 | Q | 34.2 | Very low | 35.4 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 132.8 | 177.6 | -74.3 | 167.7 | -18.7 | 0 | 0 | 111.2 | ||
| 155 | R | 33.9 | Very low | 35.6 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 148.5 | 165.1 | -64.3 | 178.8 | -174.5 | 170.4 | 1 | 109.8 | ||
| 156 | P | 37.7 | Very low | 35.9 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 131.1 | 143.5 | -0.1 | 19.5 | 0 | 0 | 0 | 109.7 | ||
| 157 | I | 35.7 | Very low | 35.5 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.9 | -179 | -64.6 | 150.1 | 0 | 0 | 0 | 109.8 | ||
| 158 | S | 38.2 | Very low | 35.1 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | -175.8 | 155.2 | 125.6 | -92.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 159 | P | 39.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | trans | -118.1 | 165.3 | -134.7 | 36.7 | -22 | 0 | 0 | 0 | 112.5 | ||||
| 160 | N | 37.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | 168.7 | 123.5 | 123.4 | -84.9 | -21.9 | 0 | 0 | 0 | 112.2 | |||||
| 161 | H | 37 | Very low | 34.1 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 56.2 | 138.5 | 140.6 | -68.6 | -87.2 | 0 | 0 | 0 | 119.8 | ||||
| 162 | S | 36.2 | Very low | 33.7 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | cis | -175.7 | 138.6 | -3.4 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 163 | T | 31.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 48.4 | 107.7 | 141 | 55 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 164 | Y | 34.4 | Very low | 33.4 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | -147.3 | 126.7 | 121.3 | -155.7 | -100.1 | 0 | 0 | 0 | 110.9 | |||||
| 165 | S | 32.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -82.2 | 145.5 | -177 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 166 | G | 35.7 | Very low | 33.1 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | -168.5 | 97.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 167 | N | 30.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 144 | -170.3 | -83.1 | -15.4 | 0 | 0 | 0 | 114.6 | ||||
| 168 | S | 27.3 | Very low | 32.6 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | 74.9 | 141.2 | 130.1 | -146.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 169 | L | 29.9 | Very low | 32.2 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 74.6 | 136.2 | 162.2 | -47.3 | 174.3 | 0 | 0 | 0 | 114.6 | ||||
| 170 | T | 29.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | cis | -177.9 | 143.2 | 6.3 | 24.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 171 | N | 27.3 | Very low | 32 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | 36.8 | 97.6 | 150.1 | -57.9 | -29.6 | 0 | 0 | 0 | 119.4 | ||||
| 172 | S | 28.5 | Very low | 31.8 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -167.5 | 130.9 | 144.8 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | I174 | S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3.14Å | ||
| 173 | P | 32.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -72.6 | 93.4 | 168 | 31.9 | -27.5 | 0 | 0 | 0 | 106.5 | I175 | P173-I175 PolarHBondContact O-N 2.94Š| ||
| 174 | I | 31.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | -68 | 91.3 | 165.1 | -61.8 | 175.1 | 0 | 0 | 0 | 105.5 | S172 R176 | S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3.14Å; I174-R176 PolarHBondContact O-N 3.03Å | ||
| 175 | I | 30.3 | Very low | 31.8 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -48 | 98.5 | 159 | -62.7 | 167.5 | 0 | 0 | 0 | 104.8 | P173 Q177 | P173-I175 PolarHBondContact O-N 2.94Å; I175-Q177 PolarHBondContact O-N 3.27Å | ||
| 176 | R | 32.6 | Very low | 32.1 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | -63.3 | 96.3 | 161.8 | -74.4 | -172.6 | -177.8 | -136 | 1.3 | 104.3 | I174 F178 | I174-R176 PolarHBondContact O-N 3.03Å; R176-F178 HydrophobicContact CB-CE2 4.48Å; R176-F178 WeakPolarHBondContact O-CD2 3.11Å; R176-F178 PolarHBondContact O-N 3.46Å | ||
| 177 | Q | 30.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -51.2 | 95 | 166.5 | -82.2 | 174.8 | -23.2 | 0 | 0 | 107.1 | I175 L179 | I175-Q177 PolarHBondContact O-N 3.27Å; Q177-L179 PolarHBondContact O-N 2.95Å | ||
| 178 | F | 31.1 | Very low | 31.8 | Very low | 186 Ų | 186 | 136 Ų | 136 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 92.7 | 158.8 | -78.4 | -81 | 0 | 0 | 0 | 105.7 | R176 T180 | R176-F178 HydrophobicContact CB-CE2 4.48Å; R176-F178 WeakPolarHBondContact O-CD2 3.11Å; R176-F178 PolarHBondContact O-N 3.46Å; F178-T180 PolarHBondContact O-N 3.16Å | ||
| 179 | L | 29.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | trans | -62.1 | 78.5 | 168.2 | -73.9 | 152.9 | 0 | 0 | 0 | 108.4 | Q177 | Q177-L179 PolarHBondContact O-N 2.95Š| ||
| 180 | T | 38.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.6 | 154.7 | 51.2 | 0 | 0 | 0 | 0 | 106.6 | F178 S182 | F178-T180 PolarHBondContact O-N 3.16Å; T180-S182 PolarHBondContact O-N 3.49Å |
| 181 | P | 34.1 | Very low | 31.8 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 57% | 0.571 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.4 | 179.1 | 24.5 | -30.9 | 0 | 0 | 0 | 109.9 | V183 | P181-V183 PolarHBondContact O-N 3.21Š|
| 182 | S | 32.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 124.2 | 172.2 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | T180 I184 | T180-S182 PolarHBondContact O-N 3.49Å; S182-I184 PolarHBondContact O-N 2.97Å |
| 183 | V | 31.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -78.2 | 108.4 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | P181 I185 | P181-V183 PolarHBondContact O-N 3.21Å; V183-I185 HydrophobicContact CG1-CG1 4.43Å | ||
| 184 | I | 33.2 | Very low | 31.9 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -86.9 | 115.9 | 170 | -59.9 | 173.6 | 0 | 0 | 0 | 107.1 | S182 | S182-I184 PolarHBondContact O-N 2.97Š| ||
| 185 | I | 38.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | -85.1 | 112.3 | 173.1 | -59.4 | 171.9 | 0 | 0 | 0 | 106.6 | V183 N187 | V183-I185 HydrophobicContact CG1-CG1 4.43Å; I185-N187 PolarHBondContact O-N 2.73Å | ||
| 186 | N | 38.3 | Very low | 32.3 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -62.1 | 129 | 171.8 | -81.4 | -14.3 | 0 | 0 | 0 | 110.2 | N188 | N186-N188 PolarHBondContact O-N 3.42Š| ||
| 187 | N | 28.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -42.9 | 102.6 | 175.7 | -65.1 | -25.9 | 0 | 0 | 0 | 112.6 | I185 | I185-N187 PolarHBondContact O-N 2.73Š| ||
| 188 | N | 30.8 | Very low | 32.8 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | -119.8 | 94.1 | 149.5 | -93.6 | -10.8 | 0 | 0 | 0 | 107.2 | N186 L190 | N186-N188 PolarHBondContact O-N 3.42Å; N188-L190 PolarHBondContact O-N 3.43Å | ||
| 189 | T | 27.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -50.4 | 87.2 | 148.6 | 14.4 | 0 | 0 | 0 | 0 | 107.6 | N191 | T189-N191 PolarHBondContact O-N 2.92Š| ||
| 190 | L | 31.3 | Very low | 33.6 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -67.4 | 94.5 | 153 | -100.4 | 131.1 | 0 | 0 | 0 | 104.7 | N188 S192 | N188-L190 PolarHBondContact O-N 3.43Å; L190-S192 PolarHBondContact O-N 3.32Å; L190-S192 VanDerWaalsContact O-N 3.12Å | ||
| 191 | N | 29.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -40.9 | 120.8 | 169.2 | -70.7 | -25.6 | 0 | 0 | 0 | 108.1 | T189 | T189-N191 PolarHBondContact O-N 2.92Š| ||
| 192 | S | 27.4 | Very low | 33.3 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -36.3 | 140 | 154.8 | -45.2 | 0 | 0 | 0 | 0 | 109.4 | L190 | L190-S192 PolarHBondContact O-N 3.32Å; L190-S192 VanDerWaalsContact O-N 3.12Å |
| 193 | D | 28.9 | Very low | 33.3 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 103.4 | 117.6 | 176 | -48.2 | -28.2 | 0 | 0 | 0 | 113.3 | ||||
| 194 | T | 32.8 | Very low | 33.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 94.9 | 61.1 | 166.5 | -13.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 195 | I | 35.5 | Very low | 33.4 | Very low | 156 Ų | 156 | 148 Ų | 148 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -132.4 | 100 | 142.5 | -57.6 | -178.4 | 0 | 0 | 0 | 109.1 | I197 | I195-I197 PolarHBondContact O-N 2.8Š| ||
| 196 | N | 34.8 | Very low | 33.4 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 116.2 | 166.4 | -154.9 | -1 | 0 | 0 | 0 | 107.6 | D198 | N196-D198 PolarHBondContact O-N 2.89Å; N196-D198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | I | 37.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 65% | 0.651 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 100.8 | 179.5 | -61.6 | 170 | 0 | 0 | 0 | 107.2 | I195 K199 | I195-I197 PolarHBondContact O-N 2.8Å; I197-K199 VanDerWaalsContact C-N 3.26Å; I197-K199 HydrophobicContact CG2-CG 3.86Å; I197-K199 PolarHBondContact O-N 2.82Å | ||
| 198 | D | 36.7 | Very low | 33.6 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -68.5 | 93.7 | 157.5 | -89.5 | -29.2 | 0 | 0 | 0 | 108.5 | N196 N200 | N196-D198 PolarHBondContact O-N 2.89Å; N196-D198 VanDerWaalsContact O-N 3.15Å; D198-N200 PolarHBondContact O-N 2.94Å | ||
| 199 | K | 37.4 | Very low | 34.1 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -65 | 92.5 | 169.2 | -64.9 | 172.8 | -179.5 | 171.7 | 0 | 108.7 | I197 | I197-K199 VanDerWaalsContact C-N 3.26Å; I197-K199 HydrophobicContact CG2-CG 3.86Å; I197-K199 PolarHBondContact O-N 2.82Å | ||
| 200 | N | 39.5 | Very low | 34.7 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -156 | 6 | 165.8 | -96.8 | -28.7 | 0 | 0 | 0 | 117.7 | D198 | D198-N200 PolarHBondContact O-N 2.94Š| ||
| 201 | Y | 34.5 | Very low | 34.7 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | -135.1 | 75.1 | -179.4 | -67 | -81.9 | 0 | 0 | 0 | 112.2 | ||||
| 202 | L | 33.6 | Very low | 35.1 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -161.3 | 71.1 | 160.6 | -102.4 | 156.4 | 0 | 0 | 0 | 108.2 | ||||
| 203 | N | 31.2 | Very low | 35.4 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -120.1 | 85.1 | 159.7 | -105.4 | -19.2 | 0 | 0 | 0 | 106.3 | ||||
| 204 | L | 35.2 | Very low | 36 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -108.8 | 74.9 | 162.6 | -90.6 | 127.4 | 0 | 0 | 0 | 106.7 | ||||
| 205 | N | 32.8 | Very low | 36 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -95.9 | 81.2 | 156.6 | -76.5 | -31.7 | 0 | 0 | 0 | 105.7 | ||||
| 206 | D | 38.1 | Very low | 36.6 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -117.1 | 119.9 | 168.4 | -78.4 | -41.1 | 0 | 0 | 0 | 109.4 | ||||
| 207 | D | 32.9 | Very low | 36.8 | Very low | 121 Ų | 121 | 157 Ų | 157 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | -53.5 | 137.1 | -171.4 | -166.1 | 32.4 | 0 | 0 | 0 | 113.9 | S209 | D207-S209 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.33Å | ||
| 208 | P | 38.3 | Very low | 36.6 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 33 | -177.5 | 31.9 | -35.8 | 0 | 0 | 0 | 114.7 | ||
| 209 | S | 41.8 | Very low | 36.8 | Very low | 82 Ų | 82 | 154 Ų | 154 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -0.8 | -167.8 | 68.8 | 0 | 0 | 0 | 0 | 116.9 | D207 | D207-S209 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.33Å |
| 210 | S | 38.3 | Very low | 36.7 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -95.8 | 106 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | Q212 | S210-Q212 VanDerWaalsContact C-N 3.32Å; S210-Q212 PolarHBondContact O-N 3.1Å | ||
| 211 | N | 32.2 | Very low | 36.9 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -57.5 | 85 | 167.9 | -77.7 | -48.8 | 0 | 0 | 0 | 111.6 | Y213 | N211-Y213 HydrophobicContact CB-CD2 4.35Å; N211-Y213 HydrophobicContact CB-CE2 4.35Å; N211-Y213 PolarHBondContact O-N 3.38Å; N211-Y213 VanDerWaalsContact O-N 3.15Å | ||
| 212 | Q | 38.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 62% | 0.617 | 75% | 0.748 | S | S | * | * | trans | -81 | 89.2 | 166.5 | -71.7 | -173.7 | -3 | 0 | 0 | 109.5 | S210 W214 | S210-Q212 VanDerWaalsContact C-N 3.32Å; S210-Q212 PolarHBondContact O-N 3.1Å; Q212-W214 VanDerWaalsContact C-N 3.35Å; Q212-W214 VanDerWaalsContact O-CD1 3.31Å; Q212-W214 PolarHBondContact O-N 3.21Å | ||
| 213 | Y | 34.1 | Very low | 38.1 | Very low | 213 Ų | 213 | 145 Ų | 145 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -62.7 | 93.3 | 165.2 | -84.4 | -90 | 0 | 0 | 0 | 109.7 | N211 R215 | N211-Y213 HydrophobicContact CB-CD2 4.35Å; N211-Y213 HydrophobicContact CB-CE2 4.35Å; N211-Y213 PolarHBondContact O-N 3.38Å; N211-Y213 VanDerWaalsContact O-N 3.15Å; Y213-R215 VanDerWaalsContact C-N 3.28Å; Y213-R215 PolarHBondContact O-N 3.35Å | ||
| 214 | W | 39.7 | Very low | 39 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -71.7 | 88 | 164.7 | -64.6 | 95.5 | 0 | 0 | 0 | 108.7 | Q212 R216 | Q212-W214 VanDerWaalsContact C-N 3.35Å; Q212-W214 VanDerWaalsContact O-CD1 3.31Å; Q212-W214 PolarHBondContact O-N 3.21Å; W214-R216 PolarHBondContact O-N 3.26Å | ||
| 215 | R | 34.6 | Very low | 39.9 | Very low | 211 Ų | 211 | 142.4 Ų | 142.4 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -63 | 102.5 | 171.2 | -175.8 | 176.2 | -77.8 | 174.7 | -4.3 | 108.3 | Y213 H217 | Y213-R215 VanDerWaalsContact C-N 3.28Å; Y213-R215 PolarHBondContact O-N 3.35Å; R215-H217 PolarHBondContact O-N 3.32Å; R215-H217 VanDerWaalsContact O-N 3.15Å | ||
| 216 | R | 46.9 | Very low | 40.9 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | trans | -59.9 | 111.9 | 171.7 | -71.2 | -179.3 | 164.3 | -135.4 | -2.3 | 109.3 | W214 S218 | W214-R216 PolarHBondContact O-N 3.26Å; R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | H | 38.4 | Very low | 41.8 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -82.4 | 77.3 | 160.8 | -69.1 | -75.8 | 0 | 0 | 0 | 108.6 | R215 S219 | R215-H217 PolarHBondContact O-N 3.32Å; R215-H217 VanDerWaalsContact O-N 3.15Å; H217-S219 VanDerWaalsContact C-N 3.27Å; H217-S219 PolarHBondContact O-N 3.45Å | ||
| 218 | S | 34.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -79.5 | 83.6 | 158.4 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | R216 | R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.16Å | ||
| 219 | S | 40.5 | Very low | 44.1 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -88.3 | 106 | 159.6 | 69 | 0 | 0 | 0 | 0 | 108.1 | H217 | H217-S219 VanDerWaalsContact C-N 3.27Å; H217-S219 PolarHBondContact O-N 3.45Å | ||
| 220 | C | 35.3 | Very low | 44.6 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | -40.9 | 142 | 156 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 221 | L | 44.6 | Very low | 45.8 | Very low | 126 Ų | 126 | 151 Ų | 151 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | -171.6 | 98.7 | 149 | -131.9 | 65 | 0 | 0 | 0 | 105.4 | ||||
| 222 | E | 47.1 | Very low | 47.3 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 49.9 | 126.3 | 75.4 | -59.8 | -168.9 | 170.5 | 0 | 0 | 111.5 | |||||
| 223 | D | 46.4 | Very low | 48.5 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | trans | 84.7 | 55.7 | -175.6 | -58.6 | -23.9 | 0 | 0 | 0 | 118.1 | T226 | D223-T226 HydrophobicContact CB-CG2 4.29Š| ||
| 224 | V | 49.5 | Very low | 50 | Low | 157 Ų | 157 | 159.2 Ų | 159.2 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -87.5 | 105.4 | 150.4 | -172.3 | 0 | 0 | 0 | 0 | 107.2 | ||
| 225 | G | 53.4 | Low | 51.5 | Low | 78 Ų | 78 | 156.6 Ų | 156.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 130.9 | 2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 226 | T | 54 | Low | 53 | Low | 83 Ų | 83 | 152.3 Ų | 152.3 | 51% | 0.509 | 79% | 0.787 | S | S | . | * | trans | -98 | 134.4 | 176.2 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | D223 K228 | D223-T226 HydrophobicContact CB-CG2 4.29Å; T226-K228 PolarHBondContact O-N 3.06Å | ||
| 227 | S | 56.8 | Low | 54.1 | Low | 127 Ų | 127 | 146.7 Ų | 146.7 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 11.7 | -179.9 | 55.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 228 | K | 60.9 | Low | 55.5 | Low | 173 Ų | 173 | 144.2 Ų | 144.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -91.1 | 132.4 | -177 | -69.1 | -174.9 | 179.2 | 177.8 | 0 | 110.5 | T226 R230 | T226-K228 PolarHBondContact O-N 3.06Å; K228-R230 PolarHBondContact O-N 3.45Å |
| 229 | P | 58.4 | Low | 57.2 | Low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.8 | 175.2 | 24.3 | -31.2 | 0 | 0 | 0 | 110.2 | Q231 | P229-Q231 PolarHBondContact O-N 3.17Š|
| 230 | R | 53.1 | Low | 58.7 | Low | 211 Ų | 211 | 144.9 Ų | 144.9 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 122.1 | 176.4 | -170.9 | 179.9 | -169.8 | -178.4 | 5.7 | 110.1 | K228 R232 | K228-R230 PolarHBondContact O-N 3.45Å; R230-R232 PolarHBondContact O-N 3.28Å; R230-R232 VanDerWaalsContact O-N 3.14Å |
| 231 | Q | 63.3 | Low | 60.1 | Low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -61.7 | 115.6 | 165.3 | -96.9 | -178.9 | -24.2 | 0 | 0 | 108.7 | P229 R233 | P229-Q231 PolarHBondContact O-N 3.17Å; Q231-R233 PolarHBondContact O-N 2.74Å; Q231-R233 VanDerWaalsContact O-N 3.07Å | ||
| 232 | R | 63.6 | Low | 60.7 | Low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -61.6 | 111.5 | 172 | -80.6 | 176.6 | 84.4 | -160.7 | 7.9 | 108.3 | R230 Q234 | R230-R232 PolarHBondContact O-N 3.28Å; R230-R232 VanDerWaalsContact O-N 3.14Å; R232-Q234 PolarHBondContact O-N 3.34Å | ||
| 233 | R | 63.5 | Low | 60.8 | Low | 242 Ų | 242 | 143.6 Ų | 143.6 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.9 | 162.7 | -75.2 | -177.4 | 150.1 | -152.4 | -6 | 107.8 | Q231 | Q231-R233 PolarHBondContact O-N 2.74Å; Q231-R233 VanDerWaalsContact O-N 3.07Å |
| 234 | Q | 65.8 | Low | 60.6 | Low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134.8 | 170.8 | -65.4 | -170.3 | 3.5 | 0 | 0 | 108.6 | R232 | R232-Q234 PolarHBondContact O-N 3.34Š|
| 235 | L | 70.1 | Confident | 60.4 | Low | 159 Ų | 159 | 140.9 Ų | 140.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.5 | 169 | -69 | 168.3 | 0 | 0 | 0 | 108.6 | S237 | L235-S237 PolarHBondContact O-N 2.9Š|
| 236 | P | 67.2 | Low | 59.8 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.6 | 170.3 | 22.9 | -30.1 | 0 | 0 | 0 | 109.9 | ||
| 237 | S | 69.1 | Low | 59.2 | Low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.9 | 177.5 | -43.3 | 0 | 0 | 0 | 0 | 110.5 | L235 | L235-S237 PolarHBondContact O-N 2.9Š|
| 238 | P | 67.7 | Low | 58.3 | Low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.3 | 172.4 | 25.3 | -32.1 | 0 | 0 | 0 | 110.6 | ||
| 239 | P | 71.9 | Confident | 57.2 | Low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.6 | 175.9 | 24.8 | -32.1 | 0 | 0 | 0 | 110.9 | ||
| 240 | P | 71.8 | Confident | 56 | Low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.7 | 176.9 | 25.3 | -32.3 | 0 | 0 | 0 | 110.6 | ||
| 241 | P | 64 | Low | 55.4 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.4 | 173.8 | 25.8 | -32.6 | 0 | 0 | 0 | 110.1 | S243 | P241-S243 PolarHBondContact O-N 3.49Š|
| 242 | P | 58.3 | Low | 54.2 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.7 | 176.8 | 24.2 | -32 | 0 | 0 | 0 | 109.5 | S244 | P242-S244 PolarHBondContact O-N 3.31Š|
| 243 | S | 48.3 | Very low | 53.3 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -58.9 | 101.6 | 174.1 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | P241 T245 | P241-S243 PolarHBondContact O-N 3.49Å; S243-T245 PolarHBondContact O-N 2.97Å | ||
| 244 | S | 43.2 | Very low | 52 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 116.2 | 167 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | P242 L246 | P242-S244 PolarHBondContact O-N 3.31Å; S244-L246 PolarHBondContact O-N 3.38Å | ||
| 245 | T | 44.4 | Very low | 50.9 | Low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -51.5 | 105.1 | 164.8 | 33.5 | 0 | 0 | 0 | 0 | 109.1 | S243 S247 | S243-T245 PolarHBondContact O-N 2.97Å; T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.41Å | ||
| 246 | L | 40.1 | Very low | 49.2 | Very low | 174 Ų | 174 | 126 Ų | 126 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 94.9 | 162.8 | -91.3 | 96.9 | 0 | 0 | 0 | 107.9 | S244 | S244-L246 PolarHBondContact O-N 3.38Š| ||
| 247 | S | 41.9 | Very low | 47.9 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -98.7 | 106.3 | 156.7 | -45.4 | 0 | 0 | 0 | 0 | 105.8 | T245 S249 | T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.41Å; S247-S249 PolarHBondContact O-N 3.18Å | ||
| 248 | S | 37.3 | Very low | 46.6 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -48.2 | 116.5 | 176 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | S | 38.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -149.6 | 120.4 | 143.1 | 62.6 | 0 | 0 | 0 | 0 | 109 | S247 | S247-S249 PolarHBondContact O-N 3.18Š| ||
| 250 | S | 33.8 | Very low | 43.4 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -74.8 | 126.1 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 251 | M | 38.9 | Very low | 41.8 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -117.7 | 98.6 | 151.6 | -86.4 | -170.5 | 63.8 | 0 | 0 | 107.5 | ||||
| 252 | K | 39.1 | Very low | 40.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120.8 | 166.6 | -78.7 | 177.7 | 175 | -178.4 | 0 | 108 | ||
| 253 | I | 43.7 | Very low | 39.5 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 120.2 | 162 | -58.6 | 173.8 | 0 | 0 | 0 | 106.3 | ||
| 254 | P | 37.3 | Very low | 38.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 124.1 | 172.6 | 30.5 | -24.6 | 0 | 0 | 0 | 109.1 | ||
| 255 | G | 41.7 | Very low | 38.5 | Very low | 72 Ų | 72 | 143.4 Ų | 143.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 109 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 256 | D | 36.2 | Very low | 38 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -49.4 | 143.1 | 179.2 | -65.2 | -60.5 | 0 | 0 | 0 | 113.6 | ||||
| 257 | I | 39.8 | Very low | 37.8 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | 169.1 | 119.1 | 117 | -80.4 | 153.7 | 0 | 0 | 0 | 107.1 | N259 | I257-N259 PolarHBondContact O-N 3.02Š| |||
| 258 | H | 40.1 | Very low | 37.1 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | -48.2 | 132 | 168.7 | -78.4 | -76.7 | 0 | 0 | 0 | 112.1 | ||||
| 259 | N | 37.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 113.2 | 134.3 | -93.5 | -22.7 | 0 | 0 | 0 | 109.6 | I257 | I257-N259 PolarHBondContact O-N 3.02Š| ||
| 260 | N | 35 | Very low | 36.5 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 118.9 | 169.6 | -71.3 | -25.6 | 0 | 0 | 0 | 109 | ||||
| 261 | S | 37.7 | Very low | 36.6 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -153.2 | 111.8 | 139.8 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 262 | T | 36 | Very low | 36.2 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 34.6 | 95.8 | 143.3 | -27.4 | 0 | 0 | 0 | 0 | 117.6 | D264 | T262-D264 PolarHBondContact O-N 3.23Š| ||
| 263 | I | 38.7 | Very low | 36.1 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -66.2 | 109.3 | 150.2 | -65.4 | 166.8 | 0 | 0 | 0 | 106.8 | ||||
| 264 | D | 36.7 | Very low | 35.7 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -128.2 | 111.2 | 158.3 | -114.6 | -29.7 | 0 | 0 | 0 | 109.8 | T262 | T262-D264 PolarHBondContact O-N 3.23Š| ||
| 265 | R | 33 | Very low | 35.7 | Very low | 221 Ų | 221 | 145.3 Ų | 145.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 46 | 94 | 149 | -111.9 | 171.1 | 173.8 | 168.4 | -2.2 | 118.2 | Q267 | R265-Q267 PolarHBondContact O-N 2.91Å; R265-Q267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | L | 35.8 | Very low | 35.4 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -54.4 | 105.9 | 148.6 | -68.1 | 162.9 | 0 | 0 | 0 | 110.5 | ||||
| 267 | Q | 34 | Very low | 35.6 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -127.1 | 97.2 | 150.9 | -115.8 | -178.6 | -4.8 | 0 | 0 | 107.7 | R265 I269 | R265-Q267 PolarHBondContact O-N 2.91Å; R265-Q267 VanDerWaalsContact O-N 3.09Å; Q267-I269 PolarHBondContact O-N 2.92Å | ||
| 268 | T | 28.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 97.8 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | R270 | T268-R270 HydrophobicContact CG2-CG 3.9Š| ||
| 269 | I | 32.9 | Very low | 35.6 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -95.1 | 98.7 | 158.8 | -59.1 | 178.2 | 0 | 0 | 0 | 106.5 | Q267 T271 | Q267-I269 PolarHBondContact O-N 2.92Å; I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 3.28Å | ||
| 270 | R | 29.2 | Very low | 35.7 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 99.3 | 167 | -80.1 | 177.4 | 172.6 | -173.4 | -2.3 | 108.2 | T268 S272 | T268-R270 HydrophobicContact CG2-CG 3.9Å; R270-S272 PolarHBondContact O-N 3.49Å | ||
| 271 | T | 35.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -82.4 | 107 | 158.7 | 40.9 | 0 | 0 | 0 | 0 | 108.4 | I269 T273 | I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 3.28Å; T271-T273 PolarHBondContact O-N 3.34Å | ||
| 272 | S | 31.5 | Very low | 36 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -77.3 | 103.4 | 174.7 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | R270 | R270-S272 PolarHBondContact O-N 3.49Š| ||
| 273 | T | 36.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -103.6 | 98.5 | 160.8 | 52.3 | 0 | 0 | 0 | 0 | 108.2 | T271 S275 | T271-T273 PolarHBondContact O-N 3.34Å; T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.09Å | ||
| 274 | N | 34.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -65.1 | 91.1 | 168.8 | -79.7 | -27.6 | 0 | 0 | 0 | 109.1 | ||||
| 275 | S | 37.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -98.3 | 83 | 166.6 | 57 | 0 | 0 | 0 | 0 | 109.1 | T273 | T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.09Å | ||
| 276 | S | 35.1 | Very low | 37 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | -70.9 | 143 | 157.1 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | R278 | S276-R278 PolarHBondContact O-N 3.21Š| ||
| 277 | P | 41.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -61.6 | 109.9 | 178.3 | 24.8 | -31.7 | 0 | 0 | 0 | 109 | ||||
| 278 | R | 37.5 | Very low | 37.6 | Very low | 219 Ų | 219 | 143.1 Ų | 143.1 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -87.8 | 112.8 | 177.8 | -166.1 | 178 | 174.9 | 167.1 | -1.3 | 107.8 | S276 S280 | S276-R278 PolarHBondContact O-N 3.21Å; R278-S280 PolarHBondContact O-N 2.83Å | ||
| 279 | L | 41.7 | Very low | 38.1 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -63.1 | 112.3 | 167.5 | -67.9 | 168.4 | 0 | 0 | 0 | 107.7 | ||||
| 280 | S | 39.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | -103.6 | 116.1 | 172 | -177.9 | 0 | 0 | 0 | 0 | 108 | R278 K282 | R278-S280 PolarHBondContact O-N 2.83Å; S280-K282 PolarHBondContact O-N 2.83Å; S280-K282 VanDerWaalsContact O-N 3.08Å | ||
| 281 | L | 39.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -69 | 100.7 | 164.3 | -71.9 | 165 | 0 | 0 | 0 | 107.2 | ||||
| 282 | K | 40.8 | Very low | 39 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -84.2 | 112.6 | 163.8 | -80.1 | -175.6 | 171.8 | -175.6 | 0 | 107.3 | S280 E284 | S280-K282 PolarHBondContact O-N 2.83Å; S280-K282 VanDerWaalsContact O-N 3.08Å; K282-E284 PolarHBondContact O-N 2.94Å; K282-E284 VanDerWaalsContact O-N 3.14Å | ||
| 283 | N | 39 | Very low | 39.4 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 100.8 | 160.3 | -89.5 | 16.9 | 0 | 0 | 0 | 107.1 | H285 | N283-H285 PolarHBondContact O-N 2.8Š| ||
| 284 | E | 42.7 | Very low | 39.5 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 100.1 | 161.9 | -67.2 | -166.7 | 171.6 | 0 | 0 | 107.6 | K282 S286 | K282-E284 PolarHBondContact O-N 2.94Å; K282-E284 VanDerWaalsContact O-N 3.14Å; E284-S286 PolarHBondContact O-N 3.39Å | ||
| 285 | H | 39.9 | Very low | 39.8 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 91.1 | 159.3 | -88 | -88.4 | 0 | 0 | 0 | 107.1 | N283 D287 | N283-H285 PolarHBondContact O-N 2.8Å; H285-D287 PolarHBondContact O-N 3.02Å | ||
| 286 | S | 42.7 | Very low | 39.9 | Very low | 92 Ų | 92 | 156.2 Ų | 156.2 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | -77.4 | 101.5 | 164.4 | -67.7 | 0 | 0 | 0 | 0 | 107.5 | E284 F288 | E284-S286 PolarHBondContact O-N 3.39Å; S286-F288 PolarHBondContact O-N 2.96Å; S286-F288 VanDerWaalsContact O-N 3.1Å | ||
| 287 | D | 40.6 | Very low | 40.2 | Very low | 156 Ų | 156 | 159.7 Ų | 159.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -55.4 | 110.1 | 165.1 | -84 | -31.9 | 0 | 0 | 0 | 108.5 | H285 G289 | H285-D287 PolarHBondContact O-N 3.02Å; D287-G289 PolarHBondContact O-N 3.34Å | ||
| 288 | F | 42.1 | Very low | 40.1 | Very low | 195 Ų | 195 | 161.5 Ų | 161.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 100.4 | 164.8 | -99.1 | -92.5 | 0 | 0 | 0 | 107.7 | S286 Y290 | S286-F288 PolarHBondContact O-N 2.96Å; S286-F288 VanDerWaalsContact O-N 3.1Å; F288-Y290 PolarHBondContact O-N 3.29Å | ||
| 289 | G | 40.1 | Very low | 40.3 | Very low | 64 Ų | 64 | 157.4 Ų | 157.4 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 115.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D287 F291 | D287-G289 PolarHBondContact O-N 3.34Å; G289-F291 PolarHBondContact O-N 3.01Å | ||
| 290 | Y | 35.9 | Very low | 40.2 | Very low | 230 Ų | 230 | 156.8 Ų | 156.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 122.8 | 161.1 | -83.9 | -99.5 | 0 | 0 | 0 | 108.6 | F288 | F288-Y290 PolarHBondContact O-N 3.29Š| ||
| 291 | F | 39.3 | Very low | 40.3 | Very low | 201 Ų | 201 | 162 Ų | 162 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -104.2 | 133.9 | 152.7 | -87.6 | -85.6 | 0 | 0 | 0 | 107.5 | G289 | G289-F291 PolarHBondContact O-N 3.01Š| ||
| 292 | N | 40.9 | Very low | 40.4 | Very low | 242 Ų | 242 | 165.1 Ų | 165.1 | 100% | 1.294 | 83% | 0.825 | S | S | * | * | trans | -41.3 | 0 | -177.4 | -71.7 | -31.6 | 0 | 0 | 0 | 115.4 |
Retrieved 292 of 292 residues in 38.1 ms
(Link to these results)