| 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 | 27.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | 0 | 115.1 | 0 | -89.9 | -171 | 156.1 | 0 | 0 | 108.5 | R69 | M1-R69 VanDerWaalsContact CE-CZ 3.49Å; M1-R69 PolarHBondContact SD-NH1 3.5Å | |||
| 2 | P | 27.7 | Very low | 31.9 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 40% | 0.396 | 59% | 0.585 | S | S | . | * | trans | -65.5 | 133.8 | 175.6 | -14.7 | 29.2 | 0 | 0 | 0 | 110.2 | W4 A5 | P2-W4 HydrophobicContact CB-CD2 4.21Å; P2-W4 HydrophobicContact CB-CG 4.11Å; P2-W4 HydrophobicContact CB-CZ2 4.11Å; P2-W4 HydrophobicContact CG-CZ2 4.1Å; P2-W4 PolarHBondContact O-N 3.32Å; P2-A5 PolarHBondContact O-N 3.35Å | ||
| 3 | T | 29.2 | Very low | 33 | Very low | 128 Ų | 128 | 106.5 Ų | 106.5 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -64.4 | -6.7 | -174.9 | 35.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 4 | W | 30.8 | Very low | 34 | Very low | 116 Ų | 116 | 105.8 Ų | 105.8 | 44% | 0.439 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -81.6 | -16.1 | 177.5 | 49.9 | -92.2 | 0 | 0 | 0 | 114.2 | P2 H6 Y7 E79 | P2-W4 HydrophobicContact CB-CD2 4.21Å; P2-W4 HydrophobicContact CB-CG 4.11Å; P2-W4 HydrophobicContact CB-CZ2 4.11Å; P2-W4 HydrophobicContact CG-CZ2 4.1Å; P2-W4 PolarHBondContact O-N 3.32Å; W4-H6 PolarHBondContact O-N 3.43Å; W4-Y7 PolarHBondContact O-N 3.15Å; W4-E79 HydrophobicContact CH2-CB 4.3Å; W4-E79 HydrophobicContact CH2-CG 4.29Å; W4-E79 HydrophobicContact CZ3-CB 4.28Å; W4-E79 HydrophobicContact CZ3-CG 3.78Å |
| 5 | A | 27.7 | Very low | 34.9 | Very low | 49 Ų | 49 | 105.4 Ų | 105.4 | 41% | 0.405 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -69.4 | 2.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P2 | P2-A5 PolarHBondContact O-N 3.35Š|
| 6 | H | 26.1 | Very low | 35.3 | Very low | 149 Ų | 149 | 100.6 Ų | 100.6 | 69% | 0.69 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -103 | -3.5 | -179.5 | -77.6 | -62.7 | 0 | 0 | 0 | 114.4 | W4 | W4-H6 PolarHBondContact O-N 3.43Š|
| 7 | Y | 28.4 | Very low | 35.8 | Very low | 203 Ų | 203 | 102.2 Ų | 102.2 | 80% | 0.796 | 54% | 0.538 | S | S | * | . | trans | -120.9 | 54 | -174 | -99.3 | -86.2 | 0 | 0 | 0 | 113 | W4 | W4-Y7 PolarHBondContact O-N 3.15Š| ||
| 8 | E | 27.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | trans | -147.1 | 88.2 | 161 | -114.5 | 169.7 | -121.1 | 0 | 0 | 110.1 | S10 R108 | E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.29Å; E8-R108 WeakPolarHBondContact OE1-CD 3.3Å; E8-R108 WeakPolarHBondContact OE1-CG 3.41Å; E8-R108 IonicContact OE1-CZ 3.46Å; E8-R108 IonicContact OE1-NE 3.25Å; E8-R108 PolarHBondContact OE1-NE 3.1Å; E8-R108 IonicContact OE1-NH2 2.97Å | ||
| 9 | Q | 33 | Very low | 35.8 | Very low | 183 Ų | 183 | 107.2 Ų | 107.2 | 86% | 0.855 | 56% | 0.562 | S | S | * | * | trans | -61.7 | 99.6 | 162.1 | -90.7 | 176.8 | -14.1 | 0 | 0 | 108.4 | S11 | Q9-S11 PolarHBondContact O-N 3.34Å; Q9-S11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | S | 37.7 | Very low | 36.1 | Very low | 89 Ų | 89 | 103.6 Ų | 103.6 | 62% | 0.622 | 54% | 0.543 | S | S | * | . | trans | 31.8 | 74.9 | 138.2 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | E8 P12 | E8-S10 VanDerWaalsContact C-N 3.35Å; E8-S10 PolarHBondContact O-N 3.29Å; S10-P12 VanDerWaalsContact O-CD 3.28Å; S10-P12 WeakPolarHBondContact O-CD 3.4Å | ||
| 11 | S | 41 | Very low | 36.3 | Very low | 58 Ų | 58 | 103 Ų | 103 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | trans | -90 | 107.1 | 158.9 | -77 | 0 | 0 | 0 | 0 | 108.3 | Q9 T34 | Q9-S11 PolarHBondContact O-N 3.34Å; Q9-S11 VanDerWaalsContact O-N 3.14Å; S11-T34 WeakPolarHBondContact CB-OG1 3.49Å | ||
| 12 | P | 46.3 | Very low | 37.4 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 141.3 | 175.7 | 26.9 | -32.5 | 0 | 0 | 0 | 109.8 | S10 L14 | S10-P12 VanDerWaalsContact O-CD 3.28Å; S10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-L14 PolarHBondContact O-N 3.47Å |
| 13 | Y | 45.7 | Very low | 38.2 | Very low | 44 Ų | 44 | 97.7 Ų | 97.7 | 17% | 0.173 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 125.7 | 165.6 | -81.4 | -69.2 | 0 | 0 | 0 | 110.9 | L31 C32 L63 E74 K78 L112 | Y13-L31 HydrophobicContact CD1-CB 3.87Å; Y13-L31 HydrophobicContact CD1-CD1 4.42Å; Y13-L31 HydrophobicContact CD1-CD2 3.88Å; Y13-L31 HydrophobicContact CD1-CG 4.26Å; Y13-L31 HydrophobicContact CE1-CB 3.77Å; Y13-L31 HydrophobicContact CE1-CD1 4.12Å; Y13-L31 HydrophobicContact CE1-CD2 4.39Å; Y13-L31 HydrophobicContact CE1-CG 4.31Å; Y13-L31 HydrophobicContact CE2-CD1 4.45Å; Y13-L31 HydrophobicContact CG-CD2 4Å; Y13-C32 WeakPolarHBondContact CD1-O 3.49Å; Y13-L63 HydrophobicContact CD2-CD1 4.32Å; Y13-L63 HydrophobicContact CE2-CB 4.24Å; Y13-L63 HydrophobicContact CE2-CD1 3.64Å; Y13-L63 HydrophobicContact CE2-CG 4.42Å; Y13-E74 VanDerWaalsContact CD2-OE2 3.3Å; Y13-E74 WeakPolarHBondContact CD2-OE2 3.34Å; Y13-E74 HydrophobicContact CE2-CB 4.14Å; Y13-E74 HydrophobicContact CE2-CG 3.5Å; Y13-E74 VanDerWaalsContact CE2-OE1 3.3Å; Y13-E74 WeakPolarHBondContact CE2-OE1 3.41Å; Y13-E74 WeakPolarHBondContact CE2-OE2 3.44Å; Y13-E74 WeakPolarHBondContact OH-CG 3.4Å; Y13-E74 PolarHBondContact OH-OE1 2.91Å; Y13-K78 WeakPolarHBondContact OH-CE 3.22Å; Y13-L112 VanDerWaalsContact OH-CB 3.32Å; Y13-L112 WeakPolarHBondContact OH-CB 3.4Å; Y13-L112 WeakPolarHBondContact OH-CD1 3.2Å; Y13-L112 WeakPolarHBondContact OH-CG 2.94Å |
| 14 | L | 47.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 98 Ų | 98 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.3 | 162.6 | -69.9 | 167.2 | 0 | 0 | 0 | 107.2 | P12 Y16 T34 | P12-L14 PolarHBondContact O-N 3.47Å; L14-Y16 PolarHBondContact O-N 3.48Å; L14-T34 HydrophobicContact CD1-CG2 4.36Å |
| 15 | P | 46.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 95.9 Ų | 95.9 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 143 | 169.2 | 25.1 | -32 | 0 | 0 | 0 | 108.4 | ||
| 16 | Y | 41.9 | Very low | 39.8 | Very low | 28 Ų | 28 | 97 Ų | 97 | 11% | 0.11 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 148 | 172 | -81.1 | -97.8 | 0 | 0 | 0 | 110.3 | L14 K18 I20 C30 L31 C32 C42 | L14-Y16 PolarHBondContact O-N 3.48Å; Y16-K18 PolarHBondContact O-N 3.43Å; Y16-I20 HydrophobicContact CD1-CB 4.09Å; Y16-I20 HydrophobicContact CD1-CD1 3.28Å; Y16-I20 HydrophobicContact CD1-CG1 3.73Å; Y16-I20 HydrophobicContact CD1-CG2 4.45Å; Y16-I20 HydrophobicContact CE1-CD1 3.56Å; Y16-I20 HydrophobicContact CE1-CG1 4.41Å; Y16-I20 HydrophobicContact CG-CB 4.39Å; Y16-I20 HydrophobicContact CG-CD1 4.35Å; Y16-I20 HydrophobicContact CG-CG1 4.39Å; Y16-C30 HydrophobicContact CD2-CB 3.1Å; Y16-C30 WeakPolarHBondContact CD2-O 3.44Å; Y16-C30 HydrophobicContact CE2-CB 3.59Å; Y16-C30 HydrophobicContact CG-CB 3.85Å; Y16-L31 WeakPolarHBondContact CE2-O 3.37Å; Y16-C32 WeakPolarHBondContact CD1-SG 3.44Å; Y16-C32 HydrophobicContact CD2-CB 4.42Å; Y16-C32 VanDerWaalsContact CD2-SG 3.5Å; Y16-C32 WeakPolarHBondContact CE1-SG 3.5Å; Y16-C32 HydrophobicContact CE2-CB 4.28Å; Y16-C32 WeakPolarHBondContact CE2-SG 3.39Å; Y16-C42 HydrophobicContact CD1-CB 4.21Å; Y16-C42 HydrophobicContact CE1-CB 3.41Å; Y16-C42 VanDerWaalsContact CE1-CB 3.41Å; Y16-C42 VanDerWaalsContact CE1-O 3.27Å; Y16-C42 WeakPolarHBondContact CE1-O 3.39Å; Y16-C42 PolarHBondContact OH-O 2.84Å |
| 17 | N | 43.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 99.4 Ų | 99.4 | 69% | 0.69 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 130.5 | 162.7 | -166.6 | -9.6 | 0 | 0 | 0 | 107.7 | S19 I20 | N17-S19 PolarHBondContact O-N 3.27Å; N17-I20 PolarHBondContact O-N 3.16Å |
| 18 | K | 37.6 | Very low | 41.9 | Very low | 210 Ų | 210 | 91.4 Ų | 91.4 | 91% | 0.913 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -4.2 | -167.2 | -67.5 | -179.7 | 177.3 | 179.8 | 0 | 115 | Y16 | Y16-K18 PolarHBondContact O-N 3.43Š|
| 19 | S | 34.5 | Very low | 43.1 | Very low | 88 Ų | 88 | 94.2 Ų | 94.2 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.8 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | N17 | N17-S19 PolarHBondContact O-N 3.27Š|
| 20 | I | 42.1 | Very low | 44.1 | Very low | 36 Ų | 36 | 86.3 Ų | 86.3 | 19% | 0.185 | 49% | 0.491 | C | S | . | . | trans | -89.2 | 111.5 | 176.4 | -50.3 | -145.3 | 0 | 0 | 0 | 110.2 | Y16 N17 C22 | Y16-I20 HydrophobicContact CD1-CB 4.09Å; Y16-I20 HydrophobicContact CD1-CD1 3.28Å; Y16-I20 HydrophobicContact CD1-CG1 3.73Å; Y16-I20 HydrophobicContact CD1-CG2 4.45Å; Y16-I20 HydrophobicContact CE1-CD1 3.56Å; Y16-I20 HydrophobicContact CE1-CG1 4.41Å; Y16-I20 HydrophobicContact CG-CB 4.39Å; Y16-I20 HydrophobicContact CG-CD1 4.35Å; Y16-I20 HydrophobicContact CG-CG1 4.39Å; N17-I20 PolarHBondContact O-N 3.16Å; I20-C22 PolarHBondContact O-N 3.13Å | ||
| 21 | T | 40.8 | Very low | 45 | Very low | 91 Ų | 91 | 82.6 Ų | 82.6 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | trans | -84.1 | 91.8 | 171.8 | 11.8 | 0 | 0 | 0 | 0 | 108.7 | N23 | T21-N23 VanDerWaalsContact C-N 3.29Š| ||
| 22 | C | 48.5 | Very low | 45.6 | Very low | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.061 | 45% | 0.447 | C | S | . | . | trans | -75 | -19 | 177.3 | -54 | 0 | 0 | 0 | 0 | 113.2 | I20 W28 C30 | I20-C22 PolarHBondContact O-N 3.13Å; C22-W28 HydrophobicContact CB-CE3 4.43Å; C22-C30 HydrophobicContact CB-CB 4.24Å; C22-C30 WeakPolarHBondContact CB-SG 3.39Å; C22-C30 WeakPolarHBondContact SG-CB 3.36Å; C22-C30 CovalentContact SG-SG 2.01Å; C22-C30 PolarHBondContact SG-SG 2.95Å | ||
| 23 | N | 44.6 | Very low | 45.6 | Very low | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | trans | -167.7 | 165.5 | 163.3 | -138 | -25.9 | 0 | 0 | 0 | 113.3 | T21 W28 | T21-N23 VanDerWaalsContact C-N 3.29Å; N23-W28 HydrophobicContact CB-CD2 4.09Å; N23-W28 HydrophobicContact CB-CE3 4.42Å; N23-W28 HydrophobicContact CB-CH2 4.11Å; N23-W28 HydrophobicContact CB-CZ2 3.66Å; N23-W28 HydrophobicContact CB-CZ3 4.46Å; N23-W28 VanDerWaalsContact ND2-CH2 3.3Å; N23-W28 WeakPolarHBondContact ND2-CH2 3.16Å; N23-W28 WeakPolarHBondContact ND2-CZ2 3.29Å | ||
| 24 | V | 39.2 | Very low | 45.6 | Very low | 134 Ų | 134 | 76.1 Ų | 76.1 | 81% | 0.812 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -98.7 | 115.6 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 25 | G | 40.8 | Very low | 45.3 | Very low | 73 Ų | 73 | 73.4 Ų | 73.4 | 75% | 0.753 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 111.8 | 9.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 26 | T | 41.1 | Very low | 44.9 | Very low | 73 Ų | 73 | 72.9 Ų | 72.9 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -148.4 | 150.3 | 173.2 | 25.9 | 0 | 0 | 0 | 0 | 109.9 | W28 | T26-W28 VanDerWaalsContact O-CD1 3.3Å; T26-W28 PolarHBondContact O-N 3.33Å; T26-W28 VanDerWaalsContact OG1-CD1 3.31Å; T26-W28 PolarHBondContact OG1-NE1 2.98Å |
| 27 | E | 47.1 | Very low | 44.8 | Very low | 199 Ų | 199 | 76 Ų | 76 | 93% | 0.93 | 45% | 0.451 | S | S | * | . | trans | -73 | 89 | 177.9 | -71.7 | -174.9 | 166.9 | 0 | 0 | 110.5 | ||||
| 28 | W | 52 | Low | 44.6 | Very low | 34 Ų | 34 | 75.2 Ų | 75.2 | 13% | 0.129 | 46% | 0.455 | C | S | . | . | trans | -93.9 | 141 | 174.9 | -65.8 | 31.7 | 0 | 0 | 0 | 109.6 | C22 N23 T26 E116 R124 T182 | C22-W28 HydrophobicContact CB-CE3 4.43Å; N23-W28 HydrophobicContact CB-CD2 4.09Å; N23-W28 HydrophobicContact CB-CE3 4.42Å; N23-W28 HydrophobicContact CB-CH2 4.11Å; N23-W28 HydrophobicContact CB-CZ2 3.66Å; N23-W28 HydrophobicContact CB-CZ3 4.46Å; N23-W28 VanDerWaalsContact ND2-CH2 3.3Å; N23-W28 WeakPolarHBondContact ND2-CH2 3.16Å; N23-W28 WeakPolarHBondContact ND2-CZ2 3.29Å; T26-W28 VanDerWaalsContact O-CD1 3.3Å; T26-W28 PolarHBondContact O-N 3.33Å; T26-W28 VanDerWaalsContact OG1-CD1 3.31Å; T26-W28 PolarHBondContact OG1-NE1 2.98Å; W28-E116 HydrophobicContact CB-CG 4.2Å; W28-E116 VanDerWaalsContact CD1-CD 3.43Å; W28-E116 HydrophobicContact CD2-CG 3.92Å; W28-E116 HydrophobicContact CG-CG 3.71Å; W28-E116 WeakPolarHBondContact CH2-OE1 3.17Å; W28-E116 VanDerWaalsContact CZ2-OE1 3.27Å; W28-E116 WeakPolarHBondContact CZ2-OE1 3.33Å; W28-E116 VanDerWaalsContact CZ3-OE1 3.26Å; W28-E116 WeakPolarHBondContact CZ3-OE1 3.26Å; W28-E116 PolarHBondContact NE1-OE2 3.42Å; W28-R124 VanDerWaalsContact CE2-NH2 3.31Å; W28-R124 VanDerWaalsContact CH2-NH2 3.26Å; W28-T182 HydrophobicContact CH2-CG2 4.47Å | ||
| 29 | Q | 53.9 | Low | 44.8 | Very low | 140 Ų | 140 | 67 Ų | 67 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 110.8 | 159.2 | -66.6 | -176 | 1.8 | 0 | 0 | 108.1 | ||
| 30 | C | 54.1 | Low | 45.4 | Very low | 18 Ų | 18 | 68 Ų | 68 | 12% | 0.122 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.3 | 168.5 | -51.3 | 0 | 0 | 0 | 0 | 108.2 | Y16 C22 | Y16-C30 HydrophobicContact CD2-CB 3.1Å; Y16-C30 WeakPolarHBondContact CD2-O 3.44Å; Y16-C30 HydrophobicContact CE2-CB 3.59Å; Y16-C30 HydrophobicContact CG-CB 3.85Å; C22-C30 HydrophobicContact CB-CB 4.24Å; C22-C30 WeakPolarHBondContact CB-SG 3.39Å; C22-C30 WeakPolarHBondContact SG-CB 3.36Å; C22-C30 CovalentContact SG-SG 2.01Å; C22-C30 PolarHBondContact SG-SG 2.95Å |
| 31 | L | 56.9 | Low | 45.8 | Very low | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.2 | -178.4 | -64.3 | 178.2 | 0 | 0 | 0 | 111.9 | Y13 Y16 L63 L112 I113 V115 | Y13-L31 HydrophobicContact CD1-CB 3.87Å; Y13-L31 HydrophobicContact CD1-CD1 4.42Å; Y13-L31 HydrophobicContact CD1-CD2 3.88Å; Y13-L31 HydrophobicContact CD1-CG 4.26Å; Y13-L31 HydrophobicContact CE1-CB 3.77Å; Y13-L31 HydrophobicContact CE1-CD1 4.12Å; Y13-L31 HydrophobicContact CE1-CD2 4.39Å; Y13-L31 HydrophobicContact CE1-CG 4.31Å; Y13-L31 HydrophobicContact CE2-CD1 4.45Å; Y13-L31 HydrophobicContact CG-CD2 4Å; Y16-L31 WeakPolarHBondContact CE2-O 3.37Å; L31-L63 HydrophobicContact CD1-CD1 3.64Å; L31-L112 WeakPolarHBondContact CB-O 3.14Å; L31-L112 HydrophobicContact CD1-CB 4.4Å; L31-L112 VanDerWaalsContact O-O 3.07Å; L31-I113 PolarHBondContact N-O 3.31Å; L31-V115 HydrophobicContact CD1-CB 4.32Å; L31-V115 HydrophobicContact CD1-CG2 3.78Å |
| 32 | C | 52.6 | Low | 46.2 | Very low | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.1 | 175.8 | -90.2 | 0 | 0 | 0 | 0 | 109.7 | Y13 Y16 I40 C42 | Y13-C32 WeakPolarHBondContact CD1-O 3.49Å; Y16-C32 WeakPolarHBondContact CD1-SG 3.44Å; Y16-C32 HydrophobicContact CD2-CB 4.42Å; Y16-C32 VanDerWaalsContact CD2-SG 3.5Å; Y16-C32 WeakPolarHBondContact CE1-SG 3.5Å; Y16-C32 HydrophobicContact CE2-CB 4.28Å; Y16-C32 WeakPolarHBondContact CE2-SG 3.39Å; C32-I40 HydrophobicContact CB-CG2 4.26Å; C32-C42 WeakPolarHBondContact CA-SG 3.45Å; C32-C42 HydrophobicContact CB-CB 4.22Å; C32-C42 WeakPolarHBondContact CB-SG 3.43Å; C32-C42 WeakPolarHBondContact SG-CB 3.31Å; C32-C42 CovalentContact SG-SG 1.98Å; C32-C42 PolarHBondContact SG-SG 2.96Å |
| 33 | S | 46.8 | Very low | 46 | Very low | 17 Ų | 17 | 66.3 Ų | 66.3 | 12% | 0.119 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 117.2 | 166 | -158.6 | 0 | 0 | 0 | 0 | 108.1 | A35 K78 | S33-A35 PolarHBondContact O-N 3.38Å; S33-K78 PolarHBondContact OG-NZ 2.87Å; S33-K78 VanDerWaalsContact OG-NZ 3.1Å |
| 34 | T | 45.7 | Very low | 46.1 | Very low | 37 Ų | 37 | 69.9 Ų | 69.9 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 117.2 | 168.2 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | S11 L14 I40 | S11-T34 WeakPolarHBondContact CB-OG1 3.49Å; L14-T34 HydrophobicContact CD1-CG2 4.36Å; T34-I40 HydrophobicContact CG2-CG1 4.38Å |
| 35 | A | 41.2 | Very low | 46.6 | Very low | 40 Ų | 40 | 67.2 Ų | 67.2 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S33 G37 | S33-A35 PolarHBondContact O-N 3.38Å; A35-G37 PolarHBondContact O-N 3.27Å; A35-G37 VanDerWaalsContact O-N 3.15Å |
| 36 | D | 38.5 | Very low | 47.4 | Very low | 88 Ų | 88 | 64.1 Ų | 64.1 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 11.1 | 85.5 | 168.4 | -81.9 | 18.7 | 0 | 0 | 0 | 116.6 | S38 R108 | D36-S38 WeakPolarHBondContact O-CB 3.4Å; D36-S38 PolarHBondContact O-N 2.75Å; D36-S38 PolarHBondContact O-OG 3.12Å; D36-R108 IonicContact OD1-CZ 3.98Å; D36-R108 IonicContact OD1-NH1 3.34Å; D36-R108 IonicContact OD1-NH2 3.75Å; D36-R108 PolarHBondContact OD1-NH2 3.15Å; D36-R108 IonicContact OD2-CZ 3.19Å; D36-R108 IonicContact OD2-NH1 2.71Å; D36-R108 PolarHBondContact OD2-NH1 3.01Å; D36-R108 IonicContact OD2-NH2 3.43Å; D36-R108 PolarHBondContact OD2-NH2 2.67Å |
| 37 | G | 39.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 63.1 Ų | 63.1 | 98% | 0.979 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -3.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | A35 | A35-G37 PolarHBondContact O-N 3.27Å; A35-G37 VanDerWaalsContact O-N 3.15Å |
| 38 | S | 39.4 | Very low | 48.6 | Very low | 112 Ų | 112 | 59 Ų | 59 | 78% | 0.783 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -11.5 | -166.9 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | D36 | D36-S38 WeakPolarHBondContact O-CB 3.4Å; D36-S38 PolarHBondContact O-N 2.75Å; D36-S38 PolarHBondContact O-OG 3.12Å |
| 39 | G | 41.4 | Very low | 49.4 | Very low | 37 Ų | 37 | 58.1 Ų | 58.1 | 38% | 0.381 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | 138.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V41 | G39-V41 PolarHBondContact O-N 2.63Å; G39-V41 VanDerWaalsContact O-N 3.17Å |
| 40 | I | 46.3 | Very low | 50.5 | Low | 109 Ų | 109 | 56.4 Ų | 56.4 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 98 | 169.1 | -51.7 | -177.3 | 0 | 0 | 0 | 106.9 | C32 T34 C42 | C32-I40 HydrophobicContact CB-CG2 4.26Å; T34-I40 HydrophobicContact CG2-CG1 4.38Å; I40-C42 VanDerWaalsContact C-N 3.29Å; I40-C42 HydrophobicContact CG2-CB 3.53Å; I40-C42 WeakPolarHBondContact CG2-SG 3.46Å; I40-C42 PolarHBondContact O-N 3.28Å |
| 41 | V | 49.9 | Very low | 51.8 | Low | 33 Ų | 33 | 55.6 Ų | 55.6 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 83.5 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 108 | G39 L45 F46 L130 | G39-V41 PolarHBondContact O-N 2.63Å; G39-V41 VanDerWaalsContact O-N 3.17Å; V41-L45 HydrophobicContact CB-CD1 4.3Å; V41-L45 HydrophobicContact CG1-CB 4.33Å; V41-L45 HydrophobicContact CG1-CD1 3.38Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 HydrophobicContact CG2-CD1 4.3Å; V41-F46 HydrophobicContact CG1-CE2 3.67Å; V41-F46 HydrophobicContact CG1-CZ 3.6Å; V41-F46 WeakPolarHBondContact O-CE2 3.5Å; V41-L130 HydrophobicContact CG1-CD1 4.22Å |
| 42 | C | 51.1 | Low | 53.3 | Low | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | -46.7 | -167.2 | -88.8 | 0 | 0 | 0 | 0 | 117.2 | Y16 C32 I40 | Y16-C42 HydrophobicContact CD1-CB 4.21Å; Y16-C42 HydrophobicContact CE1-CB 3.41Å; Y16-C42 VanDerWaalsContact CE1-CB 3.41Å; Y16-C42 VanDerWaalsContact CE1-O 3.27Å; Y16-C42 WeakPolarHBondContact CE1-O 3.39Å; Y16-C42 PolarHBondContact OH-O 2.84Å; C32-C42 WeakPolarHBondContact CA-SG 3.45Å; C32-C42 HydrophobicContact CB-CB 4.22Å; C32-C42 WeakPolarHBondContact CB-SG 3.43Å; C32-C42 WeakPolarHBondContact SG-CB 3.31Å; C32-C42 CovalentContact SG-SG 1.98Å; C32-C42 PolarHBondContact SG-SG 2.96Å; I40-C42 VanDerWaalsContact C-N 3.29Å; I40-C42 HydrophobicContact CG2-CB 3.53Å; I40-C42 WeakPolarHBondContact CG2-SG 3.46Å; I40-C42 PolarHBondContact O-N 3.28Å |
| 43 | S | 43.9 | Very low | 55 | Low | 57 Ų | 57 | 55 Ų | 55 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -93 | -33.7 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 44 | D | 45.3 | Very low | 57 | Low | 146 Ų | 146 | 54.1 Ų | 54.1 | 78% | 0.781 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -99.2 | -31.3 | -160.8 | -58.5 | -9 | 0 | 0 | 0 | 112.5 | ||
| 45 | L | 50.8 | Low | 59.1 | Low | 77 Ų | 77 | 54.4 Ų | 54.4 | 40% | 0.403 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -81.1 | -17.8 | -178 | -82.1 | 157.2 | 0 | 0 | 0 | 114.1 | V41 | V41-L45 HydrophobicContact CB-CD1 4.3Å; V41-L45 HydrophobicContact CG1-CB 4.33Å; V41-L45 HydrophobicContact CG1-CD1 3.38Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 HydrophobicContact CG2-CD1 4.3Å |
| 46 | F | 56.3 | Low | 61.4 | Low | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | trans | -118.4 | 12.9 | -165.5 | -54.9 | -48.6 | 0 | 0 | 0 | 114.7 | V41 N48 I49 V111 V128 L130 L151 | V41-F46 HydrophobicContact CG1-CE2 3.67Å; V41-F46 HydrophobicContact CG1-CZ 3.6Å; V41-F46 WeakPolarHBondContact O-CE2 3.5Å; F46-N48 PolarHBondContact O-N 3.42Å; F46-I49 HydrophobicContact CB-CG2 4.14Å; F46-I49 HydrophobicContact CD1-CD1 3.67Å; F46-I49 HydrophobicContact CE1-CD1 4.28Å; F46-I49 WeakPolarHBondContact O-CG2 3.38Å; F46-V111 HydrophobicContact CE2-CG1 3.89Å; F46-V111 HydrophobicContact CZ-CB 4.18Å; F46-V111 HydrophobicContact CZ-CG1 3.89Å; F46-V111 HydrophobicContact CZ-CG2 4.22Å; F46-V128 HydrophobicContact CD1-CG2 4.14Å; F46-V128 HydrophobicContact CE1-CG2 3.56Å; F46-V128 HydrophobicContact CZ-CG2 4.06Å; F46-L130 HydrophobicContact CE1-CD2 4.49Å; F46-L130 HydrophobicContact CZ-CD1 4.31Å; F46-L151 HydrophobicContact CE1-CD2 4.18Å | ||
| 47 | A | 53.1 | Low | 63.6 | Low | 51 Ų | 51 | 51.9 Ų | 51.9 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 120 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 48 | N | 61.4 | Low | 65.6 | Low | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 41.1 | 178.3 | -54.1 | -43.5 | 0 | 0 | 0 | 113.8 | F46 I184 | F46-N48 PolarHBondContact O-N 3.42Å; N48-I184 CarbonylContact C-O 3.48Å; N48-I184 WeakPolarHBondContact CA-O 2.99Å; N48-I184 PolarHBondContact N-O 3.19Å; N48-I184 VanDerWaalsContact N-O 3.09Å |
| 49 | I | 69.2 | Low | 67.5 | Low | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 144.1 | 179.2 | -165.8 | 165.5 | 0 | 0 | 0 | 112.3 | F46 A51 I113 V128 L151 I184 | F46-I49 HydrophobicContact CB-CG2 4.14Å; F46-I49 HydrophobicContact CD1-CD1 3.67Å; F46-I49 HydrophobicContact CE1-CD1 4.28Å; F46-I49 WeakPolarHBondContact O-CG2 3.38Å; I49-A51 PolarHBondContact O-N 2.75Å; I49-I113 HydrophobicContact CG2-CD1 4.23Å; I49-V128 HydrophobicContact CD1-CB 4.33Å; I49-V128 HydrophobicContact CD1-CG1 3.71Å; I49-V128 HydrophobicContact CD1-CG2 4.48Å; I49-V128 HydrophobicContact CG1-CG1 4.19Å; I49-L151 HydrophobicContact CD1-CD1 3.18Å; I49-L151 HydrophobicContact CD1-CD2 3.37Å; I49-L151 HydrophobicContact CD1-CG 3.83Å; I49-L151 HydrophobicContact CG1-CD1 4.03Å; I49-I184 HydrophobicContact CG2-CB 4.01Å; I49-I184 PolarHBondContact N-O 3.45Å; I49-I184 PolarHBondContact O-N 3.09Å |
| 50 | Q | 76.5 | Confident | 69 | Low | 104 Ų | 104 | 49.6 Ų | 49.6 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 104.9 | 165.4 | -67.2 | -171.6 | 9.6 | 0 | 0 | 109.2 | S154 L183 | Q50-S154 WeakPolarHBondContact O-CB 3.5Å; Q50-S154 PolarHBondContact OE1-OG 3.46Å; Q50-S154 VanDerWaalsContact OE1-OG 3.11Å; Q50-L183 HydrophobicContact CG-CD1 4.28Å |
| 51 | A | 81.9 | Confident | 70.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 156 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | I49 I113 V128 R181 T182 I184 | I49-A51 PolarHBondContact O-N 2.75Å; A51-I113 HydrophobicContact CB-CD1 4.1Å; A51-V128 HydrophobicContact CB-CG1 3.96Å; A51-R181 CarbonylContact O-C 3.57Å; A51-R181 WeakPolarHBondContact O-CA 3.31Å; A51-T182 PolarHBondContact N-O 3.01Å; A51-T182 PolarHBondContact O-N 3.04Å; A51-I184 HydrophobicContact CB-CD1 3.52Å; A51-I184 HydrophobicContact CB-CG1 3.97Å |
| 52 | V | 88.1 | Confident | 71.7 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.2 | 167.3 | -178 | 0 | 0 | 0 | 0 | 108.4 | S126 F127 S154 V157 A158 L161 I179 | V52-S126 CarbonylContact O-C 3.27Å; V52-S126 WeakPolarHBondContact O-CA 3.48Å; V52-F127 HydrophobicContact CG1-CE1 4.48Å; V52-F127 PolarHBondContact N-O 3.38Å; V52-F127 PolarHBondContact O-N 3.32Å; V52-S154 WeakPolarHBondContact CG2-O 2.86Å; V52-V157 HydrophobicContact CB-CG1 4.16Å; V52-V157 HydrophobicContact CG1-CG1 4.47Å; V52-V157 HydrophobicContact CG2-CB 3.8Å; V52-V157 HydrophobicContact CG2-CG1 3.75Å; V52-A158 HydrophobicContact CG1-CB 4.38Å; V52-A158 HydrophobicContact CG2-CB 4.37Å; V52-L161 HydrophobicContact CG1-CD1 3.52Å; V52-I179 HydrophobicContact CG1-CG2 3.9Å |
| 53 | S | 87.7 | Confident | 73 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.1 | 179.7 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | L125 S126 I179 N180 T182 | S53-L125 CarbonylContact C-O 3.57Å; S53-L125 VanDerWaalsContact CA-O 3.29Å; S53-L125 WeakPolarHBondContact CA-O 3.35Å; S53-S126 WeakPolarHBondContact OG-CB 3.23Å; S53-S126 PolarHBondContact OG-OG 3.1Å; S53-I179 WeakPolarHBondContact O-CA 3.2Å; S53-N180 PolarHBondContact N-O 3.15Å; S53-N180 PolarHBondContact O-N 2.92Å; S53-T182 WeakPolarHBondContact CB-OG1 3.45Å; S53-T182 VanDerWaalsContact OG-CB 3.24Å; S53-T182 WeakPolarHBondContact OG-CB 3.48Å; S53-T182 PolarHBondContact OG-OG1 3.33Å |
| 54 | V | 89.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.2 | 172.5 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | F56 R124 L125 F127 L161 F172 I177 | V54-F56 HydrophobicContact CG1-CD1 4.31Å; V54-R124 WeakPolarHBondContact O-CA 3.36Å; V54-L125 PolarHBondContact N-O 2.86Å; V54-L125 PolarHBondContact O-N 3.47Å; V54-F127 HydrophobicContact CG2-CE1 4Å; V54-L161 HydrophobicContact CG2-CD1 4.04Å; V54-F172 HydrophobicContact CG1-CD2 4.33Å; V54-F172 HydrophobicContact CG1-CE2 3.89Å; V54-I177 HydrophobicContact CG1-CG2 3.78Å |
| 55 | H | 89.5 | Confident | 76.2 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.3 | 177.7 | -59.4 | -115.7 | 0 | 0 | 0 | 109.6 | T123 R124 I177 V178 N180 | H55-T123 VanDerWaalsContact CA-O 3.32Å; H55-T123 WeakPolarHBondContact CA-O 3.31Å; H55-R124 VanDerWaalsContact CE1-CD 3.43Å; H55-R124 WeakPolarHBondContact CE1-CD 3.45Å; H55-I177 WeakPolarHBondContact O-CA 3.36Å; H55-V178 HydrophobicContact CB-CB 4.21Å; H55-V178 PolarHBondContact CD2-O 2.01Å; H55-V178 PolarHBondContact N-O 3.31Å; H55-V178 PolarHBondContact O-N 2.84Å; H55-N180 PolarHBondContact NE2-ND2 3.3Å |
| 56 | F | 88.7 | Confident | 77.6 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.1 | 178.4 | 54.8 | -86.9 | 0 | 0 | 0 | 112.3 | V54 F61 R122 T123 L125 F172 T174 H176 I177 | V54-F56 HydrophobicContact CG1-CD1 4.31Å; F56-F61 HydrophobicContact CE2-CB 4.18Å; F56-F61 HydrophobicContact CE2-CD2 4.04Å; F56-F61 HydrophobicContact CE2-CG 4.32Å; F56-F61 HydrophobicContact CZ-CB 4.05Å; F56-F61 HydrophobicContact CZ-CD1 4.49Å; F56-F61 AromaticContact CZ-CD2 3.51Å; F56-F61 HydrophobicContact CZ-CD2 3.51Å; F56-F61 HydrophobicContact CZ-CE2 4.04Å; F56-F61 AromaticContact CZ-CG 3.77Å; F56-F61 HydrophobicContact CZ-CG 3.77Å; F56-R122 CarbonylContact O-C 3.58Å; F56-R122 VanDerWaalsContact O-CA 3.31Å; F56-R122 WeakPolarHBondContact O-CA 3.42Å; F56-T123 HydrophobicContact CE1-CG2 3.72Å; F56-T123 HydrophobicContact CE2-CG2 3.86Å; F56-T123 VanDerWaalsContact CZ-CB 3.49Å; F56-T123 HydrophobicContact CZ-CG2 3.27Å; F56-T123 PolarHBondContact N-O 3.39Å; F56-T123 PolarHBondContact O-N 3.01Å; F56-L125 HydrophobicContact CE1-CB 4.32Å; F56-F172 HydrophobicContact CB-CB 4.49Å; F56-F172 HydrophobicContact CD1-CB 4.43Å; F56-F172 HydrophobicContact CD1-CD1 4.16Å; F56-F172 HydrophobicContact CD1-CD2 4.29Å; F56-F172 HydrophobicContact CD1-CG 4.05Å; F56-F172 HydrophobicContact CD2-CB 4.16Å; F56-F172 HydrophobicContact CD2-CG 4.5Å; F56-F172 AromaticContact CE1-CD1 3.75Å; F56-F172 HydrophobicContact CE1-CD1 3.75Å; F56-F172 AromaticContact CE1-CE1 3.89Å; F56-F172 HydrophobicContact CE1-CE1 3.89Å; F56-F172 HydrophobicContact CE1-CG 4.12Å; F56-F172 HydrophobicContact CE1-CZ 4.35Å; F56-F172 HydrophobicContact CE2-CB 4.49Å; F56-F172 HydrophobicContact CE2-CD1 4.18Å; F56-F172 HydrophobicContact CG-CB 4.12Å; F56-F172 HydrophobicContact CG-CG 4.24Å; F56-F172 AromaticContact CZ-CD1 3.75Å; F56-F172 HydrophobicContact CZ-CD1 3.75Å; F56-F172 HydrophobicContact CZ-CE1 4.11Å; F56-F172 HydrophobicContact CZ-CG 4.36Å; F56-T174 HydrophobicContact CB-CG2 3.49Å; F56-T174 VanDerWaalsContact CB-CG2 3.49Å; F56-T174 HydrophobicContact CG-CG2 4.39Å; F56-H176 WeakPolarHBondContact CA-O 3Å; F56-I177 HydrophobicContact CB-CG1 4.38Å |
| 57 | D | 86.2 | Confident | 78.6 | Confident | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.5 | 177.7 | -65.9 | -25.4 | 0 | 0 | 0 | 111.5 | R122 H176 | D57-R122 WeakPolarHBondContact OD1-CG 3.28Å; D57-R122 IonicContact OD1-NE 3.67Å; D57-R122 PolarHBondContact OD1-NE 3.43Å; D57-R122 VanDerWaalsContact OD1-NE 3.12Å; D57-H176 IonicContact OD2-CG 3.97Å |
| 58 | G | 81.9 | Confident | 79.1 | Confident | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | 102.9 | 153.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K121 T123 | G58-K121 CarbonylContact C-O 3.43Å; G58-K121 WeakPolarHBondContact CA-O 3.45Å; G58-K121 PolarHBondContact N-O 3Å; G58-T123 WeakPolarHBondContact O-CB 3.36Å; G58-T123 PolarHBondContact O-N 2.87Å; G58-T123 PolarHBondContact O-OG1 3.4Å |
| 59 | C | 79.3 | Confident | 79.7 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -124.5 | 14 | 174.7 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | F61 C117 | C59-F61 PolarHBondContact O-N 3.35Å; C59-F61 VanDerWaalsContact O-N 3.1Å; C59-C117 HydrophobicContact CB-CB 3.72Å; C59-C117 WeakPolarHBondContact CB-SG 3.32Å; C59-C117 WeakPolarHBondContact SG-CB 3.46Å; C59-C117 CovalentContact SG-SG 2.01Å; C59-C117 PolarHBondContact SG-SG 3.25Å |
| 60 | S | 71.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 83% | 0.825 | 32% | 0.316 | S | S | * | . | trans | -80.6 | 25.6 | 176.7 | 56 | 0 | 0 | 0 | 0 | 112.5 | D62 | S60-D62 PolarHBondContact O-N 3.35Š| ||
| 61 | F | 75.6 | Confident | 80.2 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | trans | -84 | 108.1 | -176.6 | -171.2 | -104.3 | 0 | 0 | 0 | 109.7 | F56 C59 L63 Y73 I77 V115 T123 L125 F172 | F56-F61 HydrophobicContact CE2-CB 4.18Å; F56-F61 HydrophobicContact CE2-CD2 4.04Å; F56-F61 HydrophobicContact CE2-CG 4.32Å; F56-F61 HydrophobicContact CZ-CB 4.05Å; F56-F61 HydrophobicContact CZ-CD1 4.49Å; F56-F61 AromaticContact CZ-CD2 3.51Å; F56-F61 HydrophobicContact CZ-CD2 3.51Å; F56-F61 HydrophobicContact CZ-CE2 4.04Å; F56-F61 AromaticContact CZ-CG 3.77Å; F56-F61 HydrophobicContact CZ-CG 3.77Å; C59-F61 PolarHBondContact O-N 3.35Å; C59-F61 VanDerWaalsContact O-N 3.1Å; F61-L63 HydrophobicContact CD1-CG 4.32Å; F61-L63 HydrophobicContact CE1-CD1 4.31Å; F61-L63 HydrophobicContact CE1-CD2 3.42Å; F61-L63 VanDerWaalsContact CE1-CD2 3.42Å; F61-L63 HydrophobicContact CE1-CG 3.58Å; F61-L63 HydrophobicContact CZ-CD2 3.52Å; F61-L63 HydrophobicContact CZ-CG 4.18Å; F61-Y73 HydrophobicContact CD2-CD1 4.42Å; F61-Y73 AromaticContact CD2-CE1 3.75Å; F61-Y73 HydrophobicContact CD2-CE1 3.75Å; F61-Y73 AromaticContact CE2-CD1 3.97Å; F61-Y73 HydrophobicContact CE2-CD1 3.97Å; F61-Y73 AromaticContact CE2-CE1 3.37Å; F61-Y73 HydrophobicContact CE2-CE1 3.37Å; F61-Y73 HydrophobicContact CZ-CE1 4.29Å; F61-I77 HydrophobicContact CE2-CD1 3.54Å; F61-I77 HydrophobicContact CZ-CD1 3.58Å; F61-V115 HydrophobicContact CD1-CG1 3.76Å; F61-V115 HydrophobicContact CD1-CG2 4.36Å; F61-V115 HydrophobicContact CE1-CG1 4.22Å; F61-V115 HydrophobicContact CE1-CG2 3.98Å; F61-T123 HydrophobicContact CB-CG2 3.95Å; F61-T123 HydrophobicContact CD1-CG2 4.21Å; F61-T123 HydrophobicContact CG-CG2 4.15Å; F61-L125 HydrophobicContact CE1-CD1 4.29Å; F61-L125 HydrophobicContact CZ-CD2 4.08Å; F61-F172 HydrophobicContact CD2-CD1 4.35Å; F61-F172 HydrophobicContact CD2-CE1 4.4Å; F61-F172 AromaticContact CE2-CD1 3.96Å; F61-F172 HydrophobicContact CE2-CD1 3.96Å; F61-F172 AromaticContact CE2-CE1 3.62Å; F61-F172 HydrophobicContact CE2-CE1 3.62Å; F61-F172 HydrophobicContact CZ-CE1 4.23Å | ||
| 62 | D | 78.2 | Confident | 80.1 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | trans | -121.3 | 107.9 | 179.5 | 178 | 9.4 | 0 | 0 | 0 | 109.3 | S60 A64 K65 Y73 | S60-D62 PolarHBondContact O-N 3.35Å; D62-A64 PolarHBondContact O-N 3.31Å; D62-A64 WeakPolarHBondContact OD1-CB 3.45Å; D62-A64 PolarHBondContact OD1-N 2.92Å; D62-K65 HydrophobicContact CB-CB 4.1Å; D62-K65 VanDerWaalsContact O-CB 3.22Å; D62-K65 WeakPolarHBondContact O-CB 3.19Å; D62-K65 PolarHBondContact O-N 3.16Å; D62-K65 PolarHBondContact OD1-N 3.37Å; D62-Y73 WeakPolarHBondContact O-CD1 3.38Å | ||
| 63 | L | 77.3 | Confident | 79.8 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -27 | 178.1 | -74 | 172.5 | 0 | 0 | 0 | 112.5 | Y13 L31 F61 K65 Y73 E74 L112 V115 | Y13-L63 HydrophobicContact CD2-CD1 4.32Å; Y13-L63 HydrophobicContact CE2-CB 4.24Å; Y13-L63 HydrophobicContact CE2-CD1 3.64Å; Y13-L63 HydrophobicContact CE2-CG 4.42Å; L31-L63 HydrophobicContact CD1-CD1 3.64Å; F61-L63 HydrophobicContact CD1-CG 4.32Å; F61-L63 HydrophobicContact CE1-CD1 4.31Å; F61-L63 HydrophobicContact CE1-CD2 3.42Å; F61-L63 VanDerWaalsContact CE1-CD2 3.42Å; F61-L63 HydrophobicContact CE1-CG 3.58Å; F61-L63 HydrophobicContact CZ-CD2 3.52Å; F61-L63 HydrophobicContact CZ-CG 4.18Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-Y73 PolarHBondContact O-N 3.26Å; L63-E74 HydrophobicContact CB-CB 4.24Å; L63-E74 HydrophobicContact CD2-CB 3.93Å; L63-E74 HydrophobicContact CD2-CG 4.34Å; L63-E74 PolarHBondContact O-N 3.24Å; L63-L112 HydrophobicContact CD1-CD1 4.12Å; L63-L112 HydrophobicContact CD2-CD1 3.73Å; L63-V115 HydrophobicContact CD1-CG2 3.61Å; L63-V115 HydrophobicContact CG-CG2 4.39Å |
| 64 | A | 76.4 | Confident | 79.4 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D62 Q66 L72 | D62-A64 PolarHBondContact O-N 3.31Å; D62-A64 WeakPolarHBondContact OD1-CB 3.45Å; D62-A64 PolarHBondContact OD1-N 2.92Å; A64-Q66 PolarHBondContact O-N 3.31Å; A64-L72 WeakPolarHBondContact O-CD2 2.91Å |
| 65 | K | 80 | Confident | 79 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | trans | -57.8 | 134 | 175.9 | -179.1 | -178 | 175.3 | -173 | 0 | 109.9 | D62 L63 Y73 | D62-K65 HydrophobicContact CB-CB 4.1Å; D62-K65 VanDerWaalsContact O-CB 3.22Å; D62-K65 WeakPolarHBondContact O-CB 3.19Å; D62-K65 PolarHBondContact O-N 3.16Å; D62-K65 PolarHBondContact OD1-N 3.37Å; L63-K65 VanDerWaalsContact C-N 3.32Å; K65-Y73 VanDerWaalsContact O-CB 3.28Å; K65-Y73 WeakPolarHBondContact O-CB 3.43Å; K65-Y73 PolarHBondContact O-N 3.26Å | ||
| 66 | Q | 81.8 | Confident | 78.7 | Confident | 139 Ų | 139 | 60 Ų | 60 | 65% | 0.65 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.9 | 171.4 | -68.3 | -175.6 | 14 | 0 | 0 | 110.8 | A64 Q71 | A64-Q66 PolarHBondContact O-N 3.31Å; Q66-Q71 CarbonylContact C-O 3.55Å; Q66-Q71 WeakPolarHBondContact CA-O 3.09Å |
| 67 | V | 76.3 | Confident | 78.6 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.1 | 171.6 | -64.3 | 0 | 0 | 0 | 0 | 108.4 | G70 Q71 Y73 Y76 | V67-G70 PolarHBondContact O-N 3.4Å; V67-Q71 PolarHBondContact N-O 3.26Å; V67-Q71 PolarHBondContact O-N 2.96Å; V67-Y73 HydrophobicContact CB-CD2 4.44Å; V67-Y73 HydrophobicContact CG1-CD2 3.67Å; V67-Y73 HydrophobicContact CG1-CE2 4.42Å; V67-Y73 HydrophobicContact CG1-CG 4.23Å; V67-Y73 HydrophobicContact CG2-CD2 3.98Å; V67-Y76 HydrophobicContact CG2-CD1 4.44Å; V67-Y76 HydrophobicContact CG2-CD2 4.01Å; V67-Y76 HydrophobicContact CG2-CG 3.79Å |
| 68 | H | 64.7 | Low | 78.6 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42 | 82 | 166.4 | -71.5 | 53.3 | 0 | 0 | 0 | 114.9 | G70 Y76 | H68-G70 VanDerWaalsContact C-N 3.26Å; H68-G70 PolarHBondContact O-N 3.49Å; H68-Y76 HydrophobicContact CB-CD2 4.43Å; H68-Y76 HydrophobicContact CB-CE2 4.47Å; H68-Y76 AromaticContact CD2-CE2 3.74Å; H68-Y76 AromaticContact CE1-CE2 3.87Å; H68-Y76 AromaticContact CG-CE2 3.78Å; H68-Y76 AromaticContact ND1-CE2 3.85Å; H68-Y76 AromaticContact NE2-CE2 3.82Å |
| 69 | R | 72.5 | Confident | 78.8 | Confident | 211 Ų | 211 | 56.9 Ų | 56.9 | 80% | 0.796 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 26.6 | 177.8 | -50.6 | -174.8 | -179.8 | -178.5 | 0.4 | 115.1 | M1 | M1-R69 VanDerWaalsContact CE-CZ 3.49Å; M1-R69 PolarHBondContact SD-NH1 3.5Å |
| 70 | G | 77.6 | Confident | 79.2 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 38% | 0.381 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V67 H68 | V67-G70 PolarHBondContact O-N 3.4Å; H68-G70 VanDerWaalsContact C-N 3.26Å; H68-G70 PolarHBondContact O-N 3.49Å |
| 71 | Q | 78.9 | Confident | 80 | Confident | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.2 | 171.9 | -170.3 | -177.9 | 9.4 | 0 | 0 | 110.2 | Q66 V67 N75 E79 | Q66-Q71 CarbonylContact C-O 3.55Å; Q66-Q71 WeakPolarHBondContact CA-O 3.09Å; V67-Q71 PolarHBondContact N-O 3.26Å; V67-Q71 PolarHBondContact O-N 2.96Å; Q71-N75 HydrophobicContact CG-CB 4.06Å; Q71-N75 PolarHBondContact NE2-ND2 3.23Å; Q71-E79 PolarHBondContact NE2-OE1 2.9Å; Q71-E79 VanDerWaalsContact NE2-OE1 3.07Å; Q71-E79 PolarHBondContact NE2-OE2 2.86Å |
| 72 | L | 79.4 | Confident | 80.6 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.9 | 172.2 | -65.3 | 175.5 | 0 | 0 | 0 | 110.1 | A64 E74 N75 Y76 | A64-L72 WeakPolarHBondContact O-CD2 2.91Å; L72-E74 HydrophobicContact CB-CB 4.48Å; L72-E74 PolarHBondContact O-N 3.32Å; L72-N75 PolarHBondContact O-N 3.29Å; L72-Y76 PolarHBondContact O-N 3.47Å |
| 73 | Y | 82 | Confident | 81 | Confident | 27 Ų | 27 | 48 Ų | 48 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | -179.5 | -171.8 | -133.5 | 0 | 0 | 0 | 112.3 | F61 D62 L63 K65 V67 Y76 I77 I171 | F61-Y73 HydrophobicContact CD2-CD1 4.42Å; F61-Y73 AromaticContact CD2-CE1 3.75Å; F61-Y73 HydrophobicContact CD2-CE1 3.75Å; F61-Y73 AromaticContact CE2-CD1 3.97Å; F61-Y73 HydrophobicContact CE2-CD1 3.97Å; F61-Y73 AromaticContact CE2-CE1 3.37Å; F61-Y73 HydrophobicContact CE2-CE1 3.37Å; F61-Y73 HydrophobicContact CZ-CE1 4.29Å; D62-Y73 WeakPolarHBondContact O-CD1 3.38Å; L63-Y73 PolarHBondContact O-N 3.26Å; K65-Y73 VanDerWaalsContact O-CB 3.28Å; K65-Y73 WeakPolarHBondContact O-CB 3.43Å; K65-Y73 PolarHBondContact O-N 3.26Å; V67-Y73 HydrophobicContact CB-CD2 4.44Å; V67-Y73 HydrophobicContact CG1-CD2 3.67Å; V67-Y73 HydrophobicContact CG1-CE2 4.42Å; V67-Y73 HydrophobicContact CG1-CG 4.23Å; V67-Y73 HydrophobicContact CG2-CD2 3.98Å; Y73-Y76 HydrophobicContact CD2-CD1 4.11Å; Y73-Y76 HydrophobicContact CE2-CD1 4.07Å; Y73-Y76 WeakPolarHBondContact O-CB 3.35Å; Y73-Y76 PolarHBondContact O-N 3.15Å; Y73-I77 HydrophobicContact CD1-CD1 3.85Å; Y73-I77 HydrophobicContact CD2-CD1 4.27Å; Y73-I77 HydrophobicContact CD2-CG1 4.39Å; Y73-I77 HydrophobicContact CE1-CD1 3.61Å; Y73-I77 HydrophobicContact CE2-CD1 4.03Å; Y73-I77 HydrophobicContact CE2-CG1 4.11Å; Y73-I77 HydrophobicContact CG-CD1 4.18Å; Y73-I77 WeakPolarHBondContact O-CG1 3.31Å; Y73-I77 PolarHBondContact O-N 3.14Å; Y73-I171 PolarHBondContact OH-O 3.1Å |
| 74 | E | 80.2 | Confident | 81.6 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -50.4 | -59.9 | 166.1 | 179.8 | -162.7 | 166.7 | 0 | 0 | 112.9 | Y13 L63 L72 Y76 I77 K78 L112 | Y13-E74 VanDerWaalsContact CD2-OE2 3.3Å; Y13-E74 WeakPolarHBondContact CD2-OE2 3.34Å; Y13-E74 HydrophobicContact CE2-CB 4.14Å; Y13-E74 HydrophobicContact CE2-CG 3.5Å; Y13-E74 VanDerWaalsContact CE2-OE1 3.3Å; Y13-E74 WeakPolarHBondContact CE2-OE1 3.41Å; Y13-E74 WeakPolarHBondContact CE2-OE2 3.44Å; Y13-E74 WeakPolarHBondContact OH-CG 3.4Å; Y13-E74 PolarHBondContact OH-OE1 2.91Å; L63-E74 HydrophobicContact CB-CB 4.24Å; L63-E74 HydrophobicContact CD2-CB 3.93Å; L63-E74 HydrophobicContact CD2-CG 4.34Å; L63-E74 PolarHBondContact O-N 3.24Å; L72-E74 HydrophobicContact CB-CB 4.48Å; L72-E74 PolarHBondContact O-N 3.32Å; E74-Y76 VanDerWaalsContact C-N 3.26Å; E74-Y76 PolarHBondContact O-N 3.32Å; E74-I77 PolarHBondContact O-N 2.99Å; E74-K78 HydrophobicContact CG-CD 3.96Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 2.93Å; E74-K78 WeakPolarHBondContact OE1-CE 3.32Å; E74-K78 IonicContact OE1-NZ 3.42Å; E74-K78 PolarHBondContact OE1-NZ 3.45Å; E74-L112 HydrophobicContact CG-CD1 4.12Å |
| 75 | N | 80.9 | Confident | 82.1 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | -175.1 | -172.8 | 37.3 | 0 | 0 | 0 | 109.9 | Q71 L72 I77 K78 E79 A107 | Q71-N75 HydrophobicContact CG-CB 4.06Å; Q71-N75 PolarHBondContact NE2-ND2 3.23Å; L72-N75 PolarHBondContact O-N 3.29Å; N75-I77 PolarHBondContact O-N 3.22Å; N75-K78 PolarHBondContact O-N 3.3Å; N75-E79 PolarHBondContact ND2-OE1 2.8Å; N75-E79 WeakPolarHBondContact O-CB 3.42Å; N75-E79 VanDerWaalsContact O-CG 3.28Å; N75-E79 WeakPolarHBondContact O-CG 3.29Å; N75-E79 PolarHBondContact O-N 2.82Å; N75-A107 WeakPolarHBondContact OD1-CB 3.47Å |
| 76 | Y | 83.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -51.8 | -53.4 | 173.5 | -178.9 | -92.6 | 0 | 0 | 0 | 111.5 | V67 H68 L72 Y73 E74 K78 E79 Y80 I171 | V67-Y76 HydrophobicContact CG2-CD1 4.44Å; V67-Y76 HydrophobicContact CG2-CD2 4.01Å; V67-Y76 HydrophobicContact CG2-CG 3.79Å; H68-Y76 HydrophobicContact CB-CD2 4.43Å; H68-Y76 HydrophobicContact CB-CE2 4.47Å; H68-Y76 AromaticContact CD2-CE2 3.74Å; H68-Y76 AromaticContact CE1-CE2 3.87Å; H68-Y76 AromaticContact CG-CE2 3.78Å; H68-Y76 AromaticContact ND1-CE2 3.85Å; H68-Y76 AromaticContact NE2-CE2 3.82Å; L72-Y76 PolarHBondContact O-N 3.47Å; Y73-Y76 HydrophobicContact CD2-CD1 4.11Å; Y73-Y76 HydrophobicContact CE2-CD1 4.07Å; Y73-Y76 WeakPolarHBondContact O-CB 3.35Å; Y73-Y76 PolarHBondContact O-N 3.15Å; E74-Y76 VanDerWaalsContact C-N 3.26Å; E74-Y76 PolarHBondContact O-N 3.32Å; Y76-K78 PolarHBondContact O-N 2.86Å; Y76-E79 PolarHBondContact O-N 2.89Å; Y76-Y80 HydrophobicContact CD1-CD2 4.09Å; Y76-Y80 HydrophobicContact CD1-CE2 4.12Å; Y76-Y80 AromaticContact CD2-CE2 3.96Å; Y76-Y80 HydrophobicContact CD2-CE2 3.96Å; Y76-Y80 AromaticContact CE1-CD2 3.82Å; Y76-Y80 HydrophobicContact CE1-CD2 3.82Å; Y76-Y80 AromaticContact CE1-CE2 3.57Å; Y76-Y80 HydrophobicContact CE1-CE2 3.57Å; Y76-Y80 HydrophobicContact CE2-CD2 4.31Å; Y76-Y80 AromaticContact CE2-CE2 3.43Å; Y76-Y80 HydrophobicContact CE2-CE2 3.43Å; Y76-Y80 VanDerWaalsContact CE2-CE2 3.43Å; Y76-Y80 HydrophobicContact CG-CD2 4.41Å; Y76-Y80 HydrophobicContact CG-CE2 4.28Å; Y76-Y80 AromaticContact CZ-CD2 3.93Å; Y76-Y80 AromaticContact CZ-CE2 3.18Å; Y76-Y80 AromaticContact CZ-CZ 3.92Å; Y76-Y80 VanDerWaalsContact O-CD2 3.24Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.33Å; Y76-Y80 PolarHBondContact O-N 3.17Å; Y76-Y80 WeakPolarHBondContact OH-CE2 3.3Å; Y76-Y80 PolarHBondContact OH-OH 2.01Å; Y76-I171 HydrophobicContact CE1-CD1 4.4Å; Y76-I171 HydrophobicContact CE1-CG1 4.45Å; Y76-I171 HydrophobicContact CE1-CG2 4.43Å |
| 77 | I | 86.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 179.6 | -68.3 | 163.3 | 0 | 0 | 0 | 111.9 | F61 Y73 E74 N75 E79 Y80 M81 I171 F172 | F61-I77 HydrophobicContact CE2-CD1 3.54Å; F61-I77 HydrophobicContact CZ-CD1 3.58Å; Y73-I77 HydrophobicContact CD1-CD1 3.85Å; Y73-I77 HydrophobicContact CD2-CD1 4.27Å; Y73-I77 HydrophobicContact CD2-CG1 4.39Å; Y73-I77 HydrophobicContact CE1-CD1 3.61Å; Y73-I77 HydrophobicContact CE2-CD1 4.03Å; Y73-I77 HydrophobicContact CE2-CG1 4.11Å; Y73-I77 HydrophobicContact CG-CD1 4.18Å; Y73-I77 WeakPolarHBondContact O-CG1 3.31Å; Y73-I77 PolarHBondContact O-N 3.14Å; E74-I77 PolarHBondContact O-N 2.99Å; N75-I77 PolarHBondContact O-N 3.22Å; I77-E79 VanDerWaalsContact C-N 3.32Å; I77-E79 PolarHBondContact O-N 2.88Å; I77-Y80 PolarHBondContact O-N 3.13Å; I77-M81 HydrophobicContact CG2-CE 3.51Å; I77-M81 HydrophobicContact CG2-CG 4.26Å; I77-M81 HydrophobicContact CG2-SD 3.79Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.47Å; I77-I171 HydrophobicContact CG1-CG2 4.01Å; I77-F172 HydrophobicContact CD1-CE1 3.89Å; I77-F172 HydrophobicContact CG2-CZ 4.38Å |
| 78 | K | 86.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | -179.8 | -72.6 | 177.4 | 167.5 | -172.9 | 0 | 111.9 | Y13 S33 E74 N75 Y76 M81 A82 A107 I110 L112 | Y13-K78 WeakPolarHBondContact OH-CE 3.22Å; S33-K78 PolarHBondContact OG-NZ 2.87Å; S33-K78 VanDerWaalsContact OG-NZ 3.1Å; E74-K78 HydrophobicContact CG-CD 3.96Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 2.93Å; E74-K78 WeakPolarHBondContact OE1-CE 3.32Å; E74-K78 IonicContact OE1-NZ 3.42Å; E74-K78 PolarHBondContact OE1-NZ 3.45Å; N75-K78 PolarHBondContact O-N 3.3Å; Y76-K78 PolarHBondContact O-N 2.86Å; K78-M81 PolarHBondContact O-N 2.91Å; K78-A82 WeakPolarHBondContact O-CB 3.38Å; K78-A82 PolarHBondContact O-N 3.01Å; K78-A107 HydrophobicContact CB-CB 3.73Å; K78-A107 WeakPolarHBondContact CD-O 3.26Å; K78-I110 HydrophobicContact CB-CB 4.08Å; K78-I110 HydrophobicContact CB-CG2 4.43Å; K78-I110 WeakPolarHBondContact CE-O 3.32Å; K78-I110 HydrophobicContact CG-CB 3.97Å; K78-I110 HydrophobicContact CG-CG2 4Å; K78-I110 PolarHBondContact NZ-O 2.86Å; K78-L112 HydrophobicContact CG-CD2 4.43Å |
| 79 | E | 85.8 | Confident | 84 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 175.9 | -71.9 | -178.2 | 174.2 | 0 | 0 | 111.8 | W4 Q71 N75 Y76 I77 A82 W83 A107 | W4-E79 HydrophobicContact CH2-CB 4.3Å; W4-E79 HydrophobicContact CH2-CG 4.29Å; W4-E79 HydrophobicContact CZ3-CB 4.28Å; W4-E79 HydrophobicContact CZ3-CG 3.78Å; Q71-E79 PolarHBondContact NE2-OE1 2.9Å; Q71-E79 VanDerWaalsContact NE2-OE1 3.07Å; Q71-E79 PolarHBondContact NE2-OE2 2.86Å; N75-E79 PolarHBondContact ND2-OE1 2.8Å; N75-E79 WeakPolarHBondContact O-CB 3.42Å; N75-E79 VanDerWaalsContact O-CG 3.28Å; N75-E79 WeakPolarHBondContact O-CG 3.29Å; N75-E79 PolarHBondContact O-N 2.82Å; Y76-E79 PolarHBondContact O-N 2.89Å; I77-E79 VanDerWaalsContact C-N 3.32Å; I77-E79 PolarHBondContact O-N 2.88Å; E79-A82 PolarHBondContact O-N 2.95Å; E79-W83 VanDerWaalsContact O-CB 3.26Å; E79-W83 WeakPolarHBondContact O-CB 3.49Å; E79-W83 PolarHBondContact O-N 3.08Å; E79-A107 HydrophobicContact CG-CB 3.76Å |
| 80 | Y | 87.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 25.9 Ų | 25.9 | 18% | 0.176 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.7 | -83.7 | -79.2 | 0 | 0 | 0 | 112.1 | Y76 I77 W83 W84 I171 | Y76-Y80 HydrophobicContact CD1-CD2 4.09Å; Y76-Y80 HydrophobicContact CD1-CE2 4.12Å; Y76-Y80 AromaticContact CD2-CE2 3.96Å; Y76-Y80 HydrophobicContact CD2-CE2 3.96Å; Y76-Y80 AromaticContact CE1-CD2 3.82Å; Y76-Y80 HydrophobicContact CE1-CD2 3.82Å; Y76-Y80 AromaticContact CE1-CE2 3.57Å; Y76-Y80 HydrophobicContact CE1-CE2 3.57Å; Y76-Y80 HydrophobicContact CE2-CD2 4.31Å; Y76-Y80 AromaticContact CE2-CE2 3.43Å; Y76-Y80 HydrophobicContact CE2-CE2 3.43Å; Y76-Y80 VanDerWaalsContact CE2-CE2 3.43Å; Y76-Y80 HydrophobicContact CG-CD2 4.41Å; Y76-Y80 HydrophobicContact CG-CE2 4.28Å; Y76-Y80 AromaticContact CZ-CD2 3.93Å; Y76-Y80 AromaticContact CZ-CE2 3.18Å; Y76-Y80 AromaticContact CZ-CZ 3.92Å; Y76-Y80 VanDerWaalsContact O-CD2 3.24Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.33Å; Y76-Y80 PolarHBondContact O-N 3.17Å; Y76-Y80 WeakPolarHBondContact OH-CE2 3.3Å; Y76-Y80 PolarHBondContact OH-OH 2.01Å; I77-Y80 PolarHBondContact O-N 3.13Å; Y80-W83 HydrophobicContact CD1-CE3 4.26Å; Y80-W83 PolarHBondContact O-N 2.87Å; Y80-W84 AromaticContact CD1-CZ2 3.82Å; Y80-W84 HydrophobicContact CD1-CZ2 3.82Å; Y80-W84 HydrophobicContact CG-CZ2 4.22Å; Y80-W84 WeakPolarHBondContact O-CB 3.26Å; Y80-W84 VanDerWaalsContact O-CD2 3.27Å; Y80-W84 PolarHBondContact O-N 3.49Å; Y80-I171 HydrophobicContact CD1-CD1 4.09Å; Y80-I171 HydrophobicContact CD2-CD1 3.8Å; Y80-I171 HydrophobicContact CE2-CD1 4.47Å; Y80-I171 HydrophobicContact CG-CD1 3.6Å |
| 81 | M | 88.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.7 | -72.4 | 176.6 | 171.9 | 0 | 0 | 111.7 | I77 K78 W83 W84 I85 I110 L125 F127 L161 F172 | I77-M81 HydrophobicContact CG2-CE 3.51Å; I77-M81 HydrophobicContact CG2-CG 4.26Å; I77-M81 HydrophobicContact CG2-SD 3.79Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.47Å; K78-M81 PolarHBondContact O-N 2.91Å; M81-W83 VanDerWaalsContact C-N 3.34Å; M81-W83 PolarHBondContact O-N 3.13Å; M81-W84 PolarHBondContact O-N 3.43Å; M81-I85 VanDerWaalsContact O-CG1 3.28Å; M81-I85 WeakPolarHBondContact O-CG1 3.35Å; M81-I85 PolarHBondContact O-N 3.43Å; M81-I110 HydrophobicContact CB-CD1 4.4Å; M81-I110 HydrophobicContact CB-CG1 4.25Å; M81-I110 HydrophobicContact CB-CG2 4.43Å; M81-I110 HydrophobicContact SD-CG2 4.04Å; M81-L125 HydrophobicContact CE-CD2 4.17Å; M81-F127 HydrophobicContact CE-CD1 4.02Å; M81-F127 HydrophobicContact CE-CE1 3.41Å; M81-F127 VanDerWaalsContact CE-CE1 3.41Å; M81-F127 HydrophobicContact CE-CZ 3.69Å; M81-F127 HydrophobicContact CG-CZ 4.29Å; M81-F127 HydrophobicContact SD-CD1 4.09Å; M81-F127 HydrophobicContact SD-CD2 4.17Å; M81-F127 HydrophobicContact SD-CE1 3.67Å; M81-F127 HydrophobicContact SD-CE2 3.76Å; M81-F127 HydrophobicContact SD-CG 4.3Å; M81-F127 HydrophobicContact SD-CZ 3.45Å; M81-F127 WeakPolarHBondContact SD-CZ 3.36Å; M81-L161 HydrophobicContact CG-CD2 4.48Å; M81-F172 HydrophobicContact CE-CZ 4.39Å |
| 82 | A | 87.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K78 E79 R86 L105 N106 I110 | K78-A82 WeakPolarHBondContact O-CB 3.38Å; K78-A82 PolarHBondContact O-N 3.01Å; E79-A82 PolarHBondContact O-N 2.95Å; A82-R86 WeakPolarHBondContact O-CG 3.06Å; A82-R86 PolarHBondContact O-N 2.87Å; A82-R86 VanDerWaalsContact O-N 3.14Å; A82-L105 HydrophobicContact CB-CD2 4.39Å; A82-L105 HydrophobicContact CB-CG 4.23Å; A82-N106 WeakPolarHBondContact CB-O 3.24Å; A82-I110 HydrophobicContact CB-CD1 4.32Å; A82-I110 HydrophobicContact CB-CG1 4Å |
| 83 | W | 87.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 31.8 Ų | 31.8 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 176.7 | 178.8 | 57.1 | 0 | 0 | 0 | 112.1 | E79 Y80 M81 I85 R86 E87 I276 | E79-W83 VanDerWaalsContact O-CB 3.26Å; E79-W83 WeakPolarHBondContact O-CB 3.49Å; E79-W83 PolarHBondContact O-N 3.08Å; Y80-W83 HydrophobicContact CD1-CE3 4.26Å; Y80-W83 PolarHBondContact O-N 2.87Å; M81-W83 VanDerWaalsContact C-N 3.34Å; M81-W83 PolarHBondContact O-N 3.13Å; W83-I85 VanDerWaalsContact C-N 3.32Å; W83-I85 PolarHBondContact O-N 3.49Å; W83-R86 PolarHBondContact O-N 3.08Å; W83-R86 VanDerWaalsContact O-N 3.12Å; W83-E87 HydrophobicContact CD2-CG 4.15Å; W83-E87 HydrophobicContact CG-CG 4.29Å; W83-E87 HydrophobicContact CZ2-CG 3.9Å; W83-E87 PolarHBondContact NE1-OE1 3.23Å; W83-E87 WeakPolarHBondContact O-CG 3.27Å; W83-E87 PolarHBondContact O-N 2.7Å; W83-I276 HydrophobicContact CE3-CD1 4.5Å; W83-I276 HydrophobicContact CH2-CD1 3.35Å; W83-I276 HydrophobicContact CZ2-CD1 4.13Å; W83-I276 HydrophobicContact CZ3-CD1 3.57Å |
| 84 | W | 89 | Confident | 83.6 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 178.3 | -64.8 | -28.8 | 0 | 0 | 0 | 113.2 | Y80 M81 R86 E87 E88 V160 L161 R164 L167 L168 I171 | Y80-W84 AromaticContact CD1-CZ2 3.82Å; Y80-W84 HydrophobicContact CD1-CZ2 3.82Å; Y80-W84 HydrophobicContact CG-CZ2 4.22Å; Y80-W84 WeakPolarHBondContact O-CB 3.26Å; Y80-W84 VanDerWaalsContact O-CD2 3.27Å; Y80-W84 PolarHBondContact O-N 3.49Å; M81-W84 PolarHBondContact O-N 3.43Å; W84-R86 VanDerWaalsContact C-N 3.34Å; W84-R86 PolarHBondContact O-N 2.92Å; W84-E87 PolarHBondContact O-N 2.66Å; W84-E88 WeakPolarHBondContact O-CB 3.27Å; W84-E88 WeakPolarHBondContact O-CG 3.5Å; W84-E88 PolarHBondContact O-N 3.09Å; W84-V160 HydrophobicContact CB-CG1 3.96Å; W84-V160 WeakPolarHBondContact O-CG1 3.27Å; W84-L161 HydrophobicContact CE3-CD2 4.34Å; W84-R164 HydrophobicContact CB-CG 4.42Å; W84-R164 HydrophobicContact CD2-CB 4.31Å; W84-R164 HydrophobicContact CG-CB 4.43Å; W84-R164 HydrophobicContact CG-CG 4.19Å; W84-L167 HydrophobicContact CH2-CB 3.81Å; W84-L167 HydrophobicContact CZ2-CB 3.33Å; W84-L167 HydrophobicContact CZ2-CD1 3.83Å; W84-L167 HydrophobicContact CZ2-CG 4.21Å; W84-L167 VanDerWaalsContact NE1-CD1 3.3Å; W84-L168 HydrophobicContact CE3-CD2 4.43Å; W84-L168 HydrophobicContact CH2-CD2 4.03Å; W84-L168 HydrophobicContact CH2-CG 4.1Å; W84-L168 HydrophobicContact CZ3-CD2 3.44Å; W84-L168 VanDerWaalsContact CZ3-CD2 3.44Å; W84-L168 HydrophobicContact CZ3-CG 3.72Å; W84-I171 HydrophobicContact CH2-CD1 3.4Å; W84-I171 HydrophobicContact CH2-CG1 4.31Å; W84-I171 HydrophobicContact CZ2-CD1 3.81Å; W84-I171 HydrophobicContact CZ3-CD1 4.36Å |
| 85 | I | 87.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 175.5 | -67.1 | 164.9 | 0 | 0 | 0 | 110.2 | M81 W83 C89 L102 L105 I110 A129 L152 V157 V160 | M81-I85 VanDerWaalsContact O-CG1 3.28Å; M81-I85 WeakPolarHBondContact O-CG1 3.35Å; M81-I85 PolarHBondContact O-N 3.43Å; W83-I85 VanDerWaalsContact C-N 3.32Å; W83-I85 PolarHBondContact O-N 3.49Å; I85-C89 WeakPolarHBondContact O-CB 3.24Å; I85-C89 PolarHBondContact O-N 3.45Å; I85-C89 PolarHBondContact O-SG 2.92Å; I85-L102 HydrophobicContact CG2-CD2 4.3Å; I85-L105 HydrophobicContact CB-CD2 3.62Å; I85-L105 HydrophobicContact CD1-CD2 4.11Å; I85-L105 HydrophobicContact CG1-CD2 4.48Å; I85-L105 HydrophobicContact CG2-CD2 3.46Å; I85-L105 VanDerWaalsContact CG2-CD2 3.46Å; I85-I110 HydrophobicContact CD1-CD1 3.99Å; I85-A129 HydrophobicContact CD1-CB 4.02Å; I85-L152 HydrophobicContact CG2-CD1 3.89Å; I85-V157 HydrophobicContact CD1-CG1 4.31Å; I85-V157 HydrophobicContact CD1-CG2 4.34Å; I85-V160 HydrophobicContact CB-CG1 4.42Å; I85-V160 HydrophobicContact CG1-CB 4.42Å; I85-V160 HydrophobicContact CG1-CG1 3.91Å |
| 86 | R | 87.4 | Confident | 82.5 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 25% | 0.249 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.7 | -71.3 | -172.5 | -63.2 | 178.5 | -0.6 | 112.6 | A82 W83 W84 S90 L102 I103 L105 | A82-R86 WeakPolarHBondContact O-CG 3.06Å; A82-R86 PolarHBondContact O-N 2.87Å; A82-R86 VanDerWaalsContact O-N 3.14Å; W83-R86 PolarHBondContact O-N 3.08Å; W83-R86 VanDerWaalsContact O-N 3.12Å; W84-R86 VanDerWaalsContact C-N 3.34Å; W84-R86 PolarHBondContact O-N 2.92Å; R86-S90 WeakPolarHBondContact O-CB 3.05Å; R86-S90 PolarHBondContact O-N 3.28Å; R86-S90 PolarHBondContact O-OG 2.89Å; R86-L102 WeakPolarHBondContact CD-O 3.32Å; R86-L102 VanDerWaalsContact CG-O 3.26Å; R86-L102 WeakPolarHBondContact CG-O 3.3Å; R86-I103 PolarHBondContact NH1-O 3.42Å; R86-L105 WeakPolarHBondContact CD-O 3.37Å; R86-L105 HydrophobicContact CG-CB 3.88Å; R86-L105 HydrophobicContact CG-CD2 4.25Å; R86-L105 PolarHBondContact NE-O 3.44Å; R86-L105 VanDerWaalsContact NE-O 3.14Å; R86-L105 PolarHBondContact NH1-O 3.34Å |
| 87 | E | 84.8 | Confident | 82 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | -179.1 | -68.8 | -67 | 157.1 | 0 | 0 | 112.1 | W83 W84 C89 S90 M91 | W83-E87 HydrophobicContact CD2-CG 4.15Å; W83-E87 HydrophobicContact CG-CG 4.29Å; W83-E87 HydrophobicContact CZ2-CG 3.9Å; W83-E87 PolarHBondContact NE1-OE1 3.23Å; W83-E87 WeakPolarHBondContact O-CG 3.27Å; W83-E87 PolarHBondContact O-N 2.7Å; W84-E87 PolarHBondContact O-N 2.66Å; E87-C89 VanDerWaalsContact C-N 3.34Å; E87-C89 PolarHBondContact O-N 3.38Å; E87-S90 PolarHBondContact O-N 3.44Å; E87-S90 PolarHBondContact O-OG 3.42Å; E87-M91 WeakPolarHBondContact O-CG 3.43Å; E87-M91 PolarHBondContact O-N 3.47Å; E87-M91 VanDerWaalsContact O-N 3.15Å |
| 88 | E | 86 | Confident | 81.4 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 179.6 | -75.1 | -58.1 | 140.9 | 0 | 0 | 112 | W84 M91 S93 V160 A163 R164 | W84-E88 WeakPolarHBondContact O-CB 3.27Å; W84-E88 WeakPolarHBondContact O-CG 3.5Å; W84-E88 PolarHBondContact O-N 3.09Å; E88-M91 PolarHBondContact O-N 2.89Å; E88-S93 VanDerWaalsContact O-CB 3.27Å; E88-S93 WeakPolarHBondContact O-CB 3.47Å; E88-S93 PolarHBondContact O-N 2.67Å; E88-S93 PolarHBondContact O-OG 3.13Å; E88-V160 HydrophobicContact CB-CB 4.26Å; E88-V160 HydrophobicContact CB-CG1 4Å; E88-V160 HydrophobicContact CB-CG2 3.67Å; E88-V160 HydrophobicContact CG-CB 4.31Å; E88-V160 HydrophobicContact CG-CG1 3.83Å; E88-V160 HydrophobicContact CG-CG2 4.25Å; E88-A163 HydrophobicContact CG-CB 4.49Å; E88-R164 HydrophobicContact CG-CG 4.38Å; E88-R164 IonicContact OE1-CZ 2.84Å; E88-R164 IonicContact OE1-NE 3.12Å; E88-R164 PolarHBondContact OE1-NE 2.84Å; E88-R164 IonicContact OE1-NH2 3.74Å; E88-R164 PolarHBondContact OE1-NH2 3.04Å |
| 89 | C | 84.3 | Confident | 80.8 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.1 | -31.3 | 177.2 | -62 | 0 | 0 | 0 | 0 | 112.7 | I85 E87 M91 G92 C94 L102 | I85-C89 WeakPolarHBondContact O-CB 3.24Å; I85-C89 PolarHBondContact O-N 3.45Å; I85-C89 PolarHBondContact O-SG 2.92Å; E87-C89 VanDerWaalsContact C-N 3.34Å; E87-C89 PolarHBondContact O-N 3.38Å; C89-M91 PolarHBondContact O-N 3.04Å; C89-G92 PolarHBondContact O-N 3.37Å; C89-G92 VanDerWaalsContact O-N 3.09Å; C89-C94 WeakPolarHBondContact CA-SG 3.26Å; C89-C94 HydrophobicContact CB-CB 3.59Å; C89-C94 WeakPolarHBondContact CB-SG 3.47Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å; C89-C94 CovalentContact SG-SG 2.02Å; C89-C94 PolarHBondContact SG-SG 2.78Å; C89-L102 HydrophobicContact CB-CD1 3.21Å; C89-L102 WeakPolarHBondContact SG-CD1 3.48Å |
| 90 | S | 81.6 | Confident | 80.2 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -28.1 | 174.6 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | R86 E87 G92 Q99 | R86-S90 WeakPolarHBondContact O-CB 3.05Å; R86-S90 PolarHBondContact O-N 3.28Å; R86-S90 PolarHBondContact O-OG 2.89Å; E87-S90 PolarHBondContact O-N 3.44Å; E87-S90 PolarHBondContact O-OG 3.42Å; S90-G92 PolarHBondContact O-N 3.1Å; S90-Q99 VanDerWaalsContact CB-NE2 3.35Å |
| 91 | M | 77.3 | Confident | 79.5 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 66% | 0.66 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -1.3 | 172.7 | -66.8 | -177.9 | 71.4 | 0 | 0 | 113.7 | E87 E88 C89 | E87-M91 WeakPolarHBondContact O-CG 3.43Å; E87-M91 PolarHBondContact O-N 3.47Å; E87-M91 VanDerWaalsContact O-N 3.15Å; E88-M91 PolarHBondContact O-N 2.89Å; C89-M91 PolarHBondContact O-N 3.04Å |
| 92 | G | 70.9 | Confident | 79.1 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 67% | 0.67 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 13.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C89 S90 C94 | C89-G92 PolarHBondContact O-N 3.37Å; C89-G92 VanDerWaalsContact O-N 3.09Å; S90-G92 PolarHBondContact O-N 3.1Å; G92-C94 VanDerWaalsContact C-N 3.34Å |
| 93 | S | 72.5 | Confident | 78.3 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | trans | -76.4 | -20 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | E88 | E88-S93 VanDerWaalsContact O-CB 3.27Å; E88-S93 WeakPolarHBondContact O-CB 3.47Å; E88-S93 PolarHBondContact O-N 2.67Å; E88-S93 PolarHBondContact O-OG 3.13Å | ||
| 94 | C | 79.7 | Confident | 77.6 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | trans | -94.7 | 104.5 | -173.4 | -61 | 0 | 0 | 0 | 0 | 111.4 | C89 G92 T156 | C89-C94 WeakPolarHBondContact CA-SG 3.26Å; C89-C94 HydrophobicContact CB-CB 3.59Å; C89-C94 WeakPolarHBondContact CB-SG 3.47Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å; C89-C94 CovalentContact SG-SG 2.02Å; C89-C94 PolarHBondContact SG-SG 2.78Å; G92-C94 VanDerWaalsContact C-N 3.34Å; C94-T156 HydrophobicContact CB-CG2 3.61Å; C94-T156 WeakPolarHBondContact SG-CG2 3.19Å | ||
| 95 | T | 68.2 | Low | 77.2 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 145.3 | 166.4 | 61.3 | 0 | 0 | 0 | 0 | 109.3 | V97 | T95-V97 PolarHBondContact O-N 2.89Š|
| 96 | D | 69.8 | Low | 76.9 | Confident | 150 Ų | 150 | 64.2 Ų | 64.2 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.7 | 174.2 | -42.8 | -49.5 | 0 | 0 | 0 | 117.3 | ||
| 97 | V | 72.7 | Confident | 76.5 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -128.9 | 124 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | T95 Q99 L102 L152 P153 T156 | T95-V97 PolarHBondContact O-N 2.89Å; V97-Q99 PolarHBondContact O-N 2.81Å; V97-L102 HydrophobicContact CG1-CD1 3.75Å; V97-L102 HydrophobicContact CG1-CD2 3.84Å; V97-L102 HydrophobicContact CG1-CG 3.7Å; V97-L152 HydrophobicContact CB-CD2 4.42Å; V97-L152 HydrophobicContact CG1-CD2 3.63Å; V97-L152 HydrophobicContact CG2-CD2 3.85Å; V97-P153 HydrophobicContact CG2-CG 4.47Å; V97-T156 HydrophobicContact CG2-CG2 4.19Å | ||
| 98 | D | 73.1 | Confident | 75.9 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | trans | -70.4 | 125.4 | 171.9 | -169.2 | -26 | 0 | 0 | 0 | 108.8 | R100 D101 | D98-R100 PolarHBondContact O-N 2.86Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.28Å; D98-R100 WeakPolarHBondContact OD1-CG 3.37Å; D98-R100 PolarHBondContact OD1-N 2.79Å; D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.84Å | ||
| 99 | Q | 75 | Confident | 75.6 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.8 | -30.2 | 177.3 | -172.7 | -177.6 | 2.9 | 0 | 0 | 112 | S90 V97 D101 L102 | S90-Q99 VanDerWaalsContact CB-NE2 3.35Å; V97-Q99 PolarHBondContact O-N 2.81Å; Q99-D101 PolarHBondContact O-N 2.92Å; Q99-L102 PolarHBondContact O-N 2.7Å; Q99-L102 VanDerWaalsContact O-N 3.14Å |
| 100 | R | 72.2 | Confident | 75.4 | Confident | 165 Ų | 165 | 62.4 Ų | 62.4 | 62% | 0.623 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.2 | -32.5 | 177 | -66.3 | 175.8 | 179.8 | -171.8 | 2.6 | 112.6 | D98 L102 | D98-R100 PolarHBondContact O-N 2.86Å; D98-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 WeakPolarHBondContact OD1-CB 3.28Å; D98-R100 WeakPolarHBondContact OD1-CG 3.37Å; D98-R100 PolarHBondContact OD1-N 2.79Å; R100-L102 PolarHBondContact O-N 3.1Å |
| 101 | D | 73 | Confident | 75.1 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.1 | -16.8 | -179.2 | -59.5 | -19.5 | 0 | 0 | 0 | 112.1 | D98 Q99 H131 | D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.84Å; Q99-D101 PolarHBondContact O-N 2.92Å; D101-H131 WeakPolarHBondContact CB-ND1 3.34Å; D101-H131 IonicContact OD2-CE1 2.61Å; D101-H131 IonicContact OD2-ND1 3.59Å |
| 102 | L | 79.6 | Confident | 75.1 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -93.7 | -11.7 | -178.1 | -63.5 | 179.6 | 0 | 0 | 0 | 113.9 | I85 R86 C89 V97 Q99 R100 D104 L105 H131 L152 | I85-L102 HydrophobicContact CG2-CD2 4.3Å; R86-L102 WeakPolarHBondContact CD-O 3.32Å; R86-L102 VanDerWaalsContact CG-O 3.26Å; R86-L102 WeakPolarHBondContact CG-O 3.3Å; C89-L102 HydrophobicContact CB-CD1 3.21Å; C89-L102 WeakPolarHBondContact SG-CD1 3.48Å; V97-L102 HydrophobicContact CG1-CD1 3.75Å; V97-L102 HydrophobicContact CG1-CD2 3.84Å; V97-L102 HydrophobicContact CG1-CG 3.7Å; Q99-L102 PolarHBondContact O-N 2.7Å; Q99-L102 VanDerWaalsContact O-N 3.14Å; R100-L102 PolarHBondContact O-N 3.1Å; L102-D104 PolarHBondContact O-N 2.97Å; L102-L105 HydrophobicContact CD2-CD2 4.41Å; L102-L105 WeakPolarHBondContact O-CB 3.28Å; L102-L105 PolarHBondContact O-N 3.06Å; L102-H131 HydrophobicContact CD2-CB 4.47Å; L102-L152 HydrophobicContact CD2-CD1 3.83Å; L102-L152 HydrophobicContact CD2-CD2 3.68Å; L102-L152 HydrophobicContact CD2-CG 4.36Å |
| 103 | I | 72.8 | Confident | 75.2 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -40.9 | -174.2 | -65.8 | 173.9 | 0 | 0 | 0 | 111.1 | R86 L105 | R86-I103 PolarHBondContact NH1-O 3.42Å; I103-L105 VanDerWaalsContact C-N 3.34Å |
| 104 | D | 72.7 | Confident | 75.2 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.6 | -176.7 | -61.3 | -20.5 | 0 | 0 | 0 | 113.5 | L102 N106 N109 R135 | L102-D104 PolarHBondContact O-N 2.97Å; D104-N106 PolarHBondContact O-N 2.57Å; D104-N106 VanDerWaalsContact O-N 3.11Å; D104-N106 PolarHBondContact O-ND2 2.71Å; D104-N109 PolarHBondContact O-OD1 2.72Å; D104-R135 IonicContact OD1-CZ 2.57Å; D104-R135 IonicContact OD1-NH2 3.09Å; D104-R135 PolarHBondContact OD1-NH2 3.21Å; D104-R135 IonicContact OD2-CZ 2.97Å; D104-R135 IonicContact OD2-NE 2.79Å; D104-R135 IonicContact OD2-NH2 2.72Å; D104-R135 PolarHBondContact OD2-NH2 2.95Å |
| 105 | L | 80.2 | Confident | 75.1 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -63 | 115.1 | -178.8 | -167.7 | 80.4 | 0 | 0 | 0 | 110.4 | A82 I85 R86 L102 I103 N109 L130 L152 | A82-L105 HydrophobicContact CB-CD2 4.39Å; A82-L105 HydrophobicContact CB-CG 4.23Å; I85-L105 HydrophobicContact CB-CD2 3.62Å; I85-L105 HydrophobicContact CD1-CD2 4.11Å; I85-L105 HydrophobicContact CG1-CD2 4.48Å; I85-L105 HydrophobicContact CG2-CD2 3.46Å; I85-L105 VanDerWaalsContact CG2-CD2 3.46Å; R86-L105 WeakPolarHBondContact CD-O 3.37Å; R86-L105 HydrophobicContact CG-CB 3.88Å; R86-L105 HydrophobicContact CG-CD2 4.25Å; R86-L105 PolarHBondContact NE-O 3.44Å; R86-L105 VanDerWaalsContact NE-O 3.14Å; R86-L105 PolarHBondContact NH1-O 3.34Å; L102-L105 HydrophobicContact CD2-CD2 4.41Å; L102-L105 WeakPolarHBondContact O-CB 3.28Å; L102-L105 PolarHBondContact O-N 3.06Å; I103-L105 VanDerWaalsContact C-N 3.34Å; L105-N109 WeakPolarHBondContact CA-OD1 3.46Å; L105-N109 HydrophobicContact CD1-CB 3.42Å; L105-N109 VanDerWaalsContact CD1-CB 3.42Å; L105-N109 HydrophobicContact CG-CB 4.19Å; L105-L130 VanDerWaalsContact CD1-O 3.23Å; L105-L130 WeakPolarHBondContact CD1-O 3.22Å; L105-L152 HydrophobicContact CD1-CD1 4.23Å; L105-L152 HydrophobicContact CD2-CD1 4.28Å | ||
| 106 | N | 80.7 | Confident | 75.4 | Confident | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -133.1 | -175.1 | -177.9 | 63.9 | 57.3 | 0 | 0 | 0 | 110.9 | A82 D104 R108 N109 | A82-N106 WeakPolarHBondContact CB-O 3.24Å; D104-N106 PolarHBondContact O-N 2.57Å; D104-N106 VanDerWaalsContact O-N 3.11Å; D104-N106 PolarHBondContact O-ND2 2.71Å; N106-R108 PolarHBondContact O-N 3.4Å; N106-R108 WeakPolarHBondContact OD1-CA 3.45Å; N106-R108 WeakPolarHBondContact OD1-CB 2.95Å; N106-R108 WeakPolarHBondContact OD1-CG 3.41Å; N106-R108 PolarHBondContact OD1-N 2.99Å; N106-N109 PolarHBondContact N-OD1 3.19Å; N106-N109 PolarHBondContact ND2-OD1 2.71Å; N106-N109 VanDerWaalsContact O-CB 3.27Å; N106-N109 WeakPolarHBondContact O-CB 3.4Å; N106-N109 PolarHBondContact O-N 2.79Å; N106-N109 VanDerWaalsContact O-N 3.07Å; N106-N109 PolarHBondContact OD1-OD1 3.34Å | ||
| 107 | A | 80.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -57.5 | -35.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N75 K78 E79 N109 I110 | N75-A107 WeakPolarHBondContact OD1-CB 3.47Å; K78-A107 HydrophobicContact CB-CB 3.73Å; K78-A107 WeakPolarHBondContact CD-O 3.26Å; E79-A107 HydrophobicContact CG-CB 3.76Å; A107-N109 PolarHBondContact O-N 3.42Å; A107-I110 PolarHBondContact O-N 3.33Å |
| 108 | R | 72 | Confident | 75.6 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -63.4 | -28 | 179.5 | -52.2 | 175.7 | 176 | -158.2 | -19.8 | 112.6 | E8 D36 N106 I110 | E8-R108 WeakPolarHBondContact OE1-CD 3.3Å; E8-R108 WeakPolarHBondContact OE1-CG 3.41Å; E8-R108 IonicContact OE1-CZ 3.46Å; E8-R108 IonicContact OE1-NE 3.25Å; E8-R108 PolarHBondContact OE1-NE 3.1Å; E8-R108 IonicContact OE1-NH2 2.97Å; D36-R108 IonicContact OD1-CZ 3.98Å; D36-R108 IonicContact OD1-NH1 3.34Å; D36-R108 IonicContact OD1-NH2 3.75Å; D36-R108 PolarHBondContact OD1-NH2 3.15Å; D36-R108 IonicContact OD2-CZ 3.19Å; D36-R108 IonicContact OD2-NH1 2.71Å; D36-R108 PolarHBondContact OD2-NH1 3.01Å; D36-R108 IonicContact OD2-NH2 3.43Å; D36-R108 PolarHBondContact OD2-NH2 2.67Å; N106-R108 PolarHBondContact O-N 3.4Å; N106-R108 WeakPolarHBondContact OD1-CA 3.45Å; N106-R108 WeakPolarHBondContact OD1-CB 2.95Å; N106-R108 WeakPolarHBondContact OD1-CG 3.41Å; N106-R108 PolarHBondContact OD1-N 2.99Å; R108-I110 VanDerWaalsContact C-N 3.26Å; R108-I110 PolarHBondContact O-N 2.84Å |
| 109 | N | 78.4 | Confident | 74.9 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -74.8 | -19.3 | 178.9 | -63.9 | 110.9 | 0 | 0 | 0 | 113.1 | D104 L105 N106 A107 A129 L130 W149 | D104-N109 PolarHBondContact O-OD1 2.72Å; L105-N109 WeakPolarHBondContact CA-OD1 3.46Å; L105-N109 HydrophobicContact CD1-CB 3.42Å; L105-N109 VanDerWaalsContact CD1-CB 3.42Å; L105-N109 HydrophobicContact CG-CB 4.19Å; N106-N109 PolarHBondContact N-OD1 3.19Å; N106-N109 PolarHBondContact ND2-OD1 2.71Å; N106-N109 VanDerWaalsContact O-CB 3.27Å; N106-N109 WeakPolarHBondContact O-CB 3.4Å; N106-N109 PolarHBondContact O-N 2.79Å; N106-N109 VanDerWaalsContact O-N 3.07Å; N106-N109 PolarHBondContact OD1-OD1 3.34Å; A107-N109 PolarHBondContact O-N 3.42Å; N109-A129 CarbonylContact O-C 3.58Å; N109-A129 WeakPolarHBondContact O-CA 3.4Å; N109-L130 WeakPolarHBondContact CB-O 3.4Å; N109-L130 PolarHBondContact ND2-O 2.02Å; N109-L130 PolarHBondContact O-N 2.81Å; N109-W149 WeakPolarHBondContact ND2-CH2 3.35Å; N109-W149 WeakPolarHBondContact ND2-CZ3 3.23Å |
| 110 | I | 80.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 107.4 | 176.4 | -52.2 | -56.2 | 0 | 0 | 0 | 108.4 | K78 M81 A82 I85 A107 R108 L112 F127 A129 | K78-I110 HydrophobicContact CB-CB 4.08Å; K78-I110 HydrophobicContact CB-CG2 4.43Å; K78-I110 WeakPolarHBondContact CE-O 3.32Å; K78-I110 HydrophobicContact CG-CB 3.97Å; K78-I110 HydrophobicContact CG-CG2 4Å; K78-I110 PolarHBondContact NZ-O 2.86Å; M81-I110 HydrophobicContact CB-CD1 4.4Å; M81-I110 HydrophobicContact CB-CG1 4.25Å; M81-I110 HydrophobicContact CB-CG2 4.43Å; M81-I110 HydrophobicContact SD-CG2 4.04Å; A82-I110 HydrophobicContact CB-CD1 4.32Å; A82-I110 HydrophobicContact CB-CG1 4Å; I85-I110 HydrophobicContact CD1-CD1 3.99Å; A107-I110 PolarHBondContact O-N 3.33Å; R108-I110 VanDerWaalsContact C-N 3.26Å; R108-I110 PolarHBondContact O-N 2.84Å; I110-L112 HydrophobicContact CG2-CD2 4.16Å; I110-F127 HydrophobicContact CG2-CD2 3.79Å; I110-F127 HydrophobicContact CG2-CE2 4.31Å; I110-F127 HydrophobicContact CG2-CG 4.37Å; I110-A129 HydrophobicContact CD1-CB 3.65Å |
| 111 | V | 75.2 | Confident | 74.7 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.7 | -179.2 | -175 | 0 | 0 | 0 | 0 | 108.8 | F46 I113 F127 V128 L130 | F46-V111 HydrophobicContact CE2-CG1 3.89Å; F46-V111 HydrophobicContact CZ-CB 4.18Å; F46-V111 HydrophobicContact CZ-CG1 3.89Å; F46-V111 HydrophobicContact CZ-CG2 4.22Å; V111-I113 PolarHBondContact O-N 3.29Å; V111-F127 CarbonylContact O-C 3.59Å; V111-F127 VanDerWaalsContact O-CA 3.23Å; V111-F127 WeakPolarHBondContact O-CA 3.36Å; V111-F127 WeakPolarHBondContact O-CB 3.07Å; V111-V128 HydrophobicContact CB-CG2 3.91Å; V111-V128 PolarHBondContact N-O 3.3Å; V111-V128 PolarHBondContact O-N 3.46Å; V111-L130 HydrophobicContact CG2-CD1 3.76Å; V111-L130 HydrophobicContact CG2-CG 4.41Å |
| 112 | L | 78.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.4 | 170.6 | -48.1 | -171.8 | 0 | 0 | 0 | 108.3 | Y13 L31 L63 E74 K78 I110 L125 F127 | Y13-L112 VanDerWaalsContact OH-CB 3.32Å; Y13-L112 WeakPolarHBondContact OH-CB 3.4Å; Y13-L112 WeakPolarHBondContact OH-CD1 3.2Å; Y13-L112 WeakPolarHBondContact OH-CG 2.94Å; L31-L112 WeakPolarHBondContact CB-O 3.14Å; L31-L112 HydrophobicContact CD1-CB 4.4Å; L31-L112 VanDerWaalsContact O-O 3.07Å; L63-L112 HydrophobicContact CD1-CD1 4.12Å; L63-L112 HydrophobicContact CD2-CD1 3.73Å; E74-L112 HydrophobicContact CG-CD1 4.12Å; K78-L112 HydrophobicContact CG-CD2 4.43Å; I110-L112 HydrophobicContact CG2-CD2 4.16Å; L112-L125 HydrophobicContact CB-CD1 4.45Å; L112-L125 HydrophobicContact CD1-CD1 3.92Å; L112-L125 HydrophobicContact CD2-CD1 4.17Å; L112-L125 HydrophobicContact CG-CD1 4.39Å; L112-F127 HydrophobicContact CD2-CB 3.56Å; L112-F127 HydrophobicContact CD2-CG 4.24Å |
| 113 | I | 72.6 | Confident | 75.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -39.6 | -176.4 | -54.9 | 178.2 | 0 | 0 | 0 | 111 | L31 I49 A51 V111 S126 V128 I184 | L31-I113 PolarHBondContact N-O 3.31Å; I49-I113 HydrophobicContact CG2-CD1 4.23Å; A51-I113 HydrophobicContact CB-CD1 4.1Å; V111-I113 PolarHBondContact O-N 3.29Å; I113-S126 PolarHBondContact N-O 3.31Å; I113-V128 HydrophobicContact CD1-CB 4.21Å; I113-V128 HydrophobicContact CD1-CG1 3.52Å; I113-V128 HydrophobicContact CD1-CG2 3.8Å; I113-V128 HydrophobicContact CG1-CG2 4.25Å; I113-I184 HydrophobicContact CB-CD1 3.74Å; I113-I184 HydrophobicContact CD1-CD1 3.65Å; I113-I184 HydrophobicContact CG1-CD1 4.29Å; I113-I184 HydrophobicContact CG2-CD1 3.37Å; I113-I184 HydrophobicContact CG2-CG2 4.37Å |
| 114 | S | 72 | Confident | 76 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 145.6 | 178.1 | 76.2 | 0 | 0 | 0 | 0 | 113 | E116 S126 | S114-E116 PolarHBondContact OG-OE1 3.09Å; S114-S126 PolarHBondContact N-O 3.24Å; S114-S126 PolarHBondContact O-N 3.43Å; S114-S126 WeakPolarHBondContact OG-CB 3.45Å; S114-S126 PolarHBondContact OG-OG 3.27Å; S114-S126 VanDerWaalsContact OG-OG 3.1Å |
| 115 | V | 76.7 | Confident | 76.6 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.1 | 163.1 | 174.6 | 0 | 0 | 0 | 0 | 107.7 | L31 F61 L63 T123 R124 L125 | L31-V115 HydrophobicContact CD1-CB 4.32Å; L31-V115 HydrophobicContact CD1-CG2 3.78Å; F61-V115 HydrophobicContact CD1-CG1 3.76Å; F61-V115 HydrophobicContact CD1-CG2 4.36Å; F61-V115 HydrophobicContact CE1-CG1 4.22Å; F61-V115 HydrophobicContact CE1-CG2 3.98Å; L63-V115 HydrophobicContact CD1-CG2 3.61Å; L63-V115 HydrophobicContact CG-CG2 4.39Å; V115-T123 HydrophobicContact CG1-CG2 4.38Å; V115-R124 WeakPolarHBondContact CA-O 3.23Å; V115-L125 HydrophobicContact CG2-CD1 3.47Å; V115-L125 VanDerWaalsContact CG2-CD1 3.47Å |
| 116 | E | 74.9 | Confident | 76.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.7 | 179.1 | -63.8 | 163.6 | -122 | 0 | 0 | 109.7 | W28 S114 T123 R124 | W28-E116 HydrophobicContact CB-CG 4.2Å; W28-E116 VanDerWaalsContact CD1-CD 3.43Å; W28-E116 HydrophobicContact CD2-CG 3.92Å; W28-E116 HydrophobicContact CG-CG 3.71Å; W28-E116 WeakPolarHBondContact CH2-OE1 3.17Å; W28-E116 VanDerWaalsContact CZ2-OE1 3.27Å; W28-E116 WeakPolarHBondContact CZ2-OE1 3.33Å; W28-E116 VanDerWaalsContact CZ3-OE1 3.26Å; W28-E116 WeakPolarHBondContact CZ3-OE1 3.26Å; W28-E116 PolarHBondContact NE1-OE2 3.42Å; S114-E116 PolarHBondContact OG-OE1 3.09Å; E116-T123 CarbonylContact O-C 3.58Å; E116-T123 WeakPolarHBondContact O-CA 3.49Å; E116-R124 HydrophobicContact CB-CB 4.48Å; E116-R124 PolarHBondContact N-O 3.5Å; E116-R124 PolarHBondContact O-N 2.93Å; E116-R124 IonicContact OE1-CZ 2.7Å; E116-R124 VanDerWaalsContact OE1-CZ 3.23Å; E116-R124 IonicContact OE1-NE 3.36Å; E116-R124 PolarHBondContact OE1-NE 3.12Å; E116-R124 IonicContact OE1-NH2 3.88Å; E116-R124 PolarHBondContact OE1-NH2 3.42Å; E116-R124 IonicContact OE2-CZ 3.03Å; E116-R124 IonicContact OE2-NE 2.66Å; E116-R124 PolarHBondContact OE2-NE 3.35Å; E116-R124 IonicContact OE2-NH2 2.66Å; E116-R124 PolarHBondContact OE2-NH2 3.15Å |
| 117 | C | 79 | Confident | 77 | Confident | 81 Ų | 81 | 40.7 Ų | 40.7 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 106.1 | 159.1 | 164.2 | 0 | 0 | 0 | 0 | 106.3 | C59 | C59-C117 HydrophobicContact CB-CB 3.72Å; C59-C117 WeakPolarHBondContact CB-SG 3.32Å; C59-C117 WeakPolarHBondContact SG-CB 3.46Å; C59-C117 CovalentContact SG-SG 2.01Å; C59-C117 PolarHBondContact SG-SG 3.25Å |
| 118 | A | 68.7 | Low | 77.1 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 176 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R122 | A118-R122 PolarHBondContact N-O 2.86Å; A118-R122 VanDerWaalsContact N-O 3.13Å; A118-R122 PolarHBondContact O-N 3.31Å |
| 119 | E | 58.3 | Low | 77.7 | Confident | 177 Ų | 177 | 36.6 Ų | 36.6 | 83% | 0.827 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -17.7 | 130.2 | -176.9 | -63.4 | 178 | 165.9 | 0 | 0 | 116.1 | ||
| 120 | A | 64.3 | Low | 77.7 | Confident | 82 Ų | 82 | 36.6 Ų | 36.6 | 68% | 0.678 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 22.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | R122 | A120-R122 VanDerWaalsContact C-N 3.32Š|
| 121 | K | 78.6 | Confident | 77.3 | Confident | 167 Ų | 167 | 37.1 Ų | 37.1 | 73% | 0.726 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 42.2 | -178.2 | -56.2 | 178.5 | 177.3 | 178.5 | 0 | 111.7 | G58 | G58-K121 CarbonylContact C-O 3.43Å; G58-K121 WeakPolarHBondContact CA-O 3.45Å; G58-K121 PolarHBondContact N-O 3Å |
| 122 | R | 82.4 | Confident | 77 | Confident | 109 Ų | 109 | 38 Ų | 38 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129 | 177.7 | -73.6 | -179.5 | 174.9 | 162.5 | -0.3 | 110.1 | F56 D57 A118 A120 | F56-R122 CarbonylContact O-C 3.58Å; F56-R122 VanDerWaalsContact O-CA 3.31Å; F56-R122 WeakPolarHBondContact O-CA 3.42Å; D57-R122 WeakPolarHBondContact OD1-CG 3.28Å; D57-R122 IonicContact OD1-NE 3.67Å; D57-R122 PolarHBondContact OD1-NE 3.43Å; D57-R122 VanDerWaalsContact OD1-NE 3.12Å; A118-R122 PolarHBondContact N-O 2.86Å; A118-R122 VanDerWaalsContact N-O 3.13Å; A118-R122 PolarHBondContact O-N 3.31Å; A120-R122 VanDerWaalsContact C-N 3.32Å |
| 123 | T | 84.7 | Confident | 76.2 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.9 | 169 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | H55 F56 G58 F61 V115 E116 | H55-T123 VanDerWaalsContact CA-O 3.32Å; H55-T123 WeakPolarHBondContact CA-O 3.31Å; F56-T123 HydrophobicContact CE1-CG2 3.72Å; F56-T123 HydrophobicContact CE2-CG2 3.86Å; F56-T123 VanDerWaalsContact CZ-CB 3.49Å; F56-T123 HydrophobicContact CZ-CG2 3.27Å; F56-T123 PolarHBondContact N-O 3.39Å; F56-T123 PolarHBondContact O-N 3.01Å; G58-T123 WeakPolarHBondContact O-CB 3.36Å; G58-T123 PolarHBondContact O-N 2.87Å; G58-T123 PolarHBondContact O-OG1 3.4Å; F61-T123 HydrophobicContact CB-CG2 3.95Å; F61-T123 HydrophobicContact CD1-CG2 4.21Å; F61-T123 HydrophobicContact CG-CG2 4.15Å; V115-T123 HydrophobicContact CG1-CG2 4.38Å; E116-T123 CarbonylContact O-C 3.58Å; E116-T123 WeakPolarHBondContact O-CA 3.49Å |
| 124 | R | 84.3 | Confident | 75.3 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 19% | 0.192 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.9 | 165.7 | 177.1 | 172.3 | 63.4 | -170.1 | -8.6 | 109 | W28 V54 H55 V115 E116 | W28-R124 VanDerWaalsContact CE2-NH2 3.31Å; W28-R124 VanDerWaalsContact CH2-NH2 3.26Å; V54-R124 WeakPolarHBondContact O-CA 3.36Å; H55-R124 VanDerWaalsContact CE1-CD 3.43Å; H55-R124 WeakPolarHBondContact CE1-CD 3.45Å; V115-R124 WeakPolarHBondContact CA-O 3.23Å; E116-R124 HydrophobicContact CB-CB 4.48Å; E116-R124 PolarHBondContact N-O 3.5Å; E116-R124 PolarHBondContact O-N 2.93Å; E116-R124 IonicContact OE1-CZ 2.7Å; E116-R124 VanDerWaalsContact OE1-CZ 3.23Å; E116-R124 IonicContact OE1-NE 3.36Å; E116-R124 PolarHBondContact OE1-NE 3.12Å; E116-R124 IonicContact OE1-NH2 3.88Å; E116-R124 PolarHBondContact OE1-NH2 3.42Å; E116-R124 IonicContact OE2-CZ 3.03Å; E116-R124 IonicContact OE2-NE 2.66Å; E116-R124 PolarHBondContact OE2-NE 3.35Å; E116-R124 IonicContact OE2-NH2 2.66Å; E116-R124 PolarHBondContact OE2-NH2 3.15Å |
| 125 | L | 85.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.2 | 170.9 | 173.2 | 64.9 | 0 | 0 | 0 | 108.8 | S53 V54 F56 F61 M81 L112 V115 F172 | S53-L125 CarbonylContact C-O 3.57Å; S53-L125 VanDerWaalsContact CA-O 3.29Å; S53-L125 WeakPolarHBondContact CA-O 3.35Å; V54-L125 PolarHBondContact N-O 2.86Å; V54-L125 PolarHBondContact O-N 3.47Å; F56-L125 HydrophobicContact CE1-CB 4.32Å; F61-L125 HydrophobicContact CE1-CD1 4.29Å; F61-L125 HydrophobicContact CZ-CD2 4.08Å; M81-L125 HydrophobicContact CE-CD2 4.17Å; L112-L125 HydrophobicContact CB-CD1 4.45Å; L112-L125 HydrophobicContact CD1-CD1 3.92Å; L112-L125 HydrophobicContact CD2-CD1 4.17Å; L112-L125 HydrophobicContact CG-CD1 4.39Å; V115-L125 HydrophobicContact CG2-CD1 3.47Å; V115-L125 VanDerWaalsContact CG2-CD1 3.47Å; L125-F172 HydrophobicContact CD2-CE1 4.22Å; L125-F172 HydrophobicContact CD2-CZ 3.96Å |
| 126 | S | 84.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.4 | 177.9 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | V52 S53 I113 S114 | V52-S126 CarbonylContact O-C 3.27Å; V52-S126 WeakPolarHBondContact O-CA 3.48Å; S53-S126 WeakPolarHBondContact OG-CB 3.23Å; S53-S126 PolarHBondContact OG-OG 3.1Å; I113-S126 PolarHBondContact N-O 3.31Å; S114-S126 PolarHBondContact N-O 3.24Å; S114-S126 PolarHBondContact O-N 3.43Å; S114-S126 WeakPolarHBondContact OG-CB 3.45Å; S114-S126 PolarHBondContact OG-OG 3.27Å; S114-S126 VanDerWaalsContact OG-OG 3.1Å |
| 127 | F | 84.8 | Confident | 71 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 167.6 | -178.3 | 69.8 | -86.8 | 0 | 0 | 0 | 112.8 | V52 V54 M81 I110 V111 L112 V157 L161 | V52-F127 HydrophobicContact CG1-CE1 4.48Å; V52-F127 PolarHBondContact N-O 3.38Å; V52-F127 PolarHBondContact O-N 3.32Å; V54-F127 HydrophobicContact CG2-CE1 4Å; M81-F127 HydrophobicContact CE-CD1 4.02Å; M81-F127 HydrophobicContact CE-CE1 3.41Å; M81-F127 VanDerWaalsContact CE-CE1 3.41Å; M81-F127 HydrophobicContact CE-CZ 3.69Å; M81-F127 HydrophobicContact CG-CZ 4.29Å; M81-F127 HydrophobicContact SD-CD1 4.09Å; M81-F127 HydrophobicContact SD-CD2 4.17Å; M81-F127 HydrophobicContact SD-CE1 3.67Å; M81-F127 HydrophobicContact SD-CE2 3.76Å; M81-F127 HydrophobicContact SD-CG 4.3Å; M81-F127 HydrophobicContact SD-CZ 3.45Å; M81-F127 WeakPolarHBondContact SD-CZ 3.36Å; I110-F127 HydrophobicContact CG2-CD2 3.79Å; I110-F127 HydrophobicContact CG2-CE2 4.31Å; I110-F127 HydrophobicContact CG2-CG 4.37Å; V111-F127 CarbonylContact O-C 3.59Å; V111-F127 VanDerWaalsContact O-CA 3.23Å; V111-F127 WeakPolarHBondContact O-CA 3.36Å; V111-F127 WeakPolarHBondContact O-CB 3.07Å; L112-F127 HydrophobicContact CD2-CB 3.56Å; L112-F127 HydrophobicContact CD2-CG 4.24Å; F127-V157 HydrophobicContact CE2-CG1 3.76Å; F127-V157 HydrophobicContact CZ-CG1 4.11Å; F127-L161 HydrophobicContact CE1-CD1 3.89Å; F127-L161 HydrophobicContact CZ-CD1 3.47Å; F127-L161 VanDerWaalsContact CZ-CD1 3.47Å; F127-L161 HydrophobicContact CZ-CD2 4.23Å; F127-L161 HydrophobicContact CZ-CG 4.34Å |
| 128 | V | 83.1 | Confident | 69 | Low | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.1 | 171.5 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | F46 I49 A51 V111 I113 L151 | F46-V128 HydrophobicContact CD1-CG2 4.14Å; F46-V128 HydrophobicContact CE1-CG2 3.56Å; F46-V128 HydrophobicContact CZ-CG2 4.06Å; I49-V128 HydrophobicContact CD1-CB 4.33Å; I49-V128 HydrophobicContact CD1-CG1 3.71Å; I49-V128 HydrophobicContact CD1-CG2 4.48Å; I49-V128 HydrophobicContact CG1-CG1 4.19Å; A51-V128 HydrophobicContact CB-CG1 3.96Å; V111-V128 HydrophobicContact CB-CG2 3.91Å; V111-V128 PolarHBondContact N-O 3.3Å; V111-V128 PolarHBondContact O-N 3.46Å; I113-V128 HydrophobicContact CD1-CB 4.21Å; I113-V128 HydrophobicContact CD1-CG1 3.52Å; I113-V128 HydrophobicContact CD1-CG2 3.8Å; I113-V128 HydrophobicContact CG1-CG2 4.25Å; V128-L151 HydrophobicContact CB-CD2 3.9Å; V128-L151 HydrophobicContact CG1-CD2 4.45Å; V128-L151 HydrophobicContact CG2-CD2 4.01Å |
| 129 | A | 84 | Confident | 67.6 | Low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.3 | I85 N109 I110 L152 V157 | I85-A129 HydrophobicContact CD1-CB 4.02Å; N109-A129 CarbonylContact O-C 3.58Å; N109-A129 WeakPolarHBondContact O-CA 3.4Å; I110-A129 HydrophobicContact CD1-CB 3.65Å; A129-L152 HydrophobicContact CB-CB 4.21Å; A129-L152 HydrophobicContact CB-CD1 3.72Å; A129-L152 HydrophobicContact CB-CG 4.38Å; A129-L152 PolarHBondContact O-N 3.45Å; A129-V157 HydrophobicContact CB-CG2 4.12Å |
| 130 | L | 78 | Confident | 66.7 | Low | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.1 | 178.5 | -66.5 | 168.9 | 0 | 0 | 0 | 109.6 | V41 F46 L105 N109 V111 W149 Q150 L151 | V41-L130 HydrophobicContact CG1-CD1 4.22Å; F46-L130 HydrophobicContact CE1-CD2 4.49Å; F46-L130 HydrophobicContact CZ-CD1 4.31Å; L105-L130 VanDerWaalsContact CD1-O 3.23Å; L105-L130 WeakPolarHBondContact CD1-O 3.22Å; N109-L130 WeakPolarHBondContact CB-O 3.4Å; N109-L130 PolarHBondContact ND2-O 2.02Å; N109-L130 PolarHBondContact O-N 2.81Å; V111-L130 HydrophobicContact CG2-CD1 3.76Å; V111-L130 HydrophobicContact CG2-CG 4.41Å; L130-W149 HydrophobicContact CB-CE3 4.23Å; L130-Q150 CarbonylContact C-O 3.51Å; L130-Q150 VanDerWaalsContact CA-O 3.31Å; L130-Q150 WeakPolarHBondContact CA-O 3.38Å; L130-L151 HydrophobicContact CD2-CD2 3.48Å; L130-L151 VanDerWaalsContact CD2-CD2 3.48Å; L130-L151 HydrophobicContact CD2-CG 3.79Å; L130-L151 HydrophobicContact CG-CD2 4.35Å |
| 131 | H | 74 | Confident | 65.2 | Low | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.046 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.9 | 171.5 | 68.5 | 105 | 0 | 0 | 0 | 110 | D101 L102 V133 W149 Q150 L152 | D101-H131 WeakPolarHBondContact CB-ND1 3.34Å; D101-H131 IonicContact OD2-CE1 2.61Å; D101-H131 IonicContact OD2-ND1 3.59Å; L102-H131 HydrophobicContact CD2-CB 4.47Å; H131-V133 WeakPolarHBondContact CE1-CG2 3.16Å; H131-V133 WeakPolarHBondContact ND1-CG2 3.06Å; H131-W149 CarbonylContact O-C 3.54Å; H131-W149 WeakPolarHBondContact O-CA 3.13Å; H131-Q150 PolarHBondContact CD2-O 3.38Å; H131-Q150 PolarHBondContact N-O 3.12Å; H131-Q150 PolarHBondContact O-N 3.07Å; H131-L152 HydrophobicContact CB-CD2 4.34Å; H131-L152 HydrophobicContact CB-CG 4.35Å; H131-L152 WeakPolarHBondContact CD2-CD2 3.5Å |
| 132 | S | 67.8 | Low | 63.2 | Low | 24 Ų | 24 | 69.5 Ų | 69.5 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.8 | 177 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 133 | V | 62.8 | Low | 60.8 | Low | 40 Ų | 40 | 73.2 Ų | 73.2 | 24% | 0.242 | 41% | 0.406 | C | S | . | . | trans | -115.8 | 76.8 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | H131 A148 Q150 | H131-V133 WeakPolarHBondContact CE1-CG2 3.16Å; H131-V133 WeakPolarHBondContact ND1-CG2 3.06Å; V133-A148 PolarHBondContact N-O 2.94Å; V133-Q150 HydrophobicContact CB-CB 4.38Å; V133-Q150 HydrophobicContact CG2-CB 3.38Å; V133-Q150 HydrophobicContact CG2-CG 4.35Å | ||
| 134 | N | 52.5 | Low | 58.2 | Low | 117 Ų | 117 | 76.2 Ų | 76.2 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | trans | 174.7 | 94.5 | 160.1 | -101.5 | -26.9 | 0 | 0 | 0 | 110 | ||||
| 135 | R | 50.4 | Low | 55.9 | Low | 158 Ų | 158 | 82.2 Ų | 82.2 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | trans | -112.3 | 112.1 | 147.5 | -75.5 | -173.9 | -180 | 178.9 | 0.1 | 106.6 | D104 I137 | D104-R135 IonicContact OD1-CZ 2.57Å; D104-R135 IonicContact OD1-NH2 3.09Å; D104-R135 PolarHBondContact OD1-NH2 3.21Å; D104-R135 IonicContact OD2-CZ 2.97Å; D104-R135 IonicContact OD2-NE 2.79Å; D104-R135 IonicContact OD2-NH2 2.72Å; D104-R135 PolarHBondContact OD2-NH2 2.95Å; R135-I137 PolarHBondContact O-N 3.43Å | ||
| 136 | S | 39.3 | Very low | 53.7 | Low | 112 Ų | 112 | 88.9 Ų | 88.9 | 78% | 0.783 | 50% | 0.504 | S | S | * | . | trans | -29.4 | 99.1 | 178 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 137 | I | 43.5 | Very low | 52.1 | Low | 131 Ų | 131 | 94.6 Ų | 94.6 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -87.6 | 112.4 | 153.1 | -58.7 | 175.9 | 0 | 0 | 0 | 103.7 | R135 | R135-I137 PolarHBondContact O-N 3.43Š|
| 138 | E | 38.4 | Very low | 50.7 | Low | 176 Ų | 176 | 96.9 Ų | 96.9 | 82% | 0.822 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 85.7 | 76.8 | 178 | -58.2 | 171.8 | -174.3 | 0 | 0 | 116.8 | N140 | E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 3.01Å |
| 139 | G | 39 | Very low | 49.9 | Very low | 75 Ų | 75 | 102.2 Ų | 102.2 | 77% | 0.773 | 57% | 0.568 | S | S | * | * | 57.2 | 20 | 106.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 140 | N | 38.6 | Very low | 49.2 | Very low | 155 Ų | 155 | 107.3 Ų | 107.3 | 83% | 0.829 | 59% | 0.592 | S | S | * | * | trans | -136.9 | 116.2 | 168.1 | -98.4 | -23 | 0 | 0 | 0 | 112.4 | E138 S142 | E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 3.01Å; N140-S142 PolarHBondContact O-N 3.37Å | ||
| 141 | D | 32.7 | Very low | 49.1 | Very low | 171 Ų | 171 | 109.5 Ų | 109.5 | 91% | 0.914 | 60% | 0.604 | S | S | * | * | trans | -50.9 | 113.1 | 167 | -69.5 | -46.4 | 0 | 0 | 0 | 111.4 | ||||
| 142 | S | 37.8 | Very low | 49.5 | Very low | 110 Ų | 110 | 109.5 Ų | 109.5 | 77% | 0.769 | 60% | 0.604 | S | S | * | * | trans | -151 | 117.1 | 144.1 | 63.1 | 0 | 0 | 0 | 0 | 109.3 | N140 G144 | N140-S142 PolarHBondContact O-N 3.37Å; S142-G144 PolarHBondContact O-N 3.17Å | ||
| 143 | L | 31.2 | Very low | 50.3 | Low | 187 Ų | 187 | 110.7 Ų | 110.7 | 98% | 0.979 | 61% | 0.611 | S | S | * | * | trans | -38.2 | 118.1 | 171.7 | -87.4 | 74.7 | 0 | 0 | 0 | 112.1 | ||||
| 144 | G | 30.2 | Very low | 51.4 | Low | 66 Ų | 66 | 109.4 Ų | 109.4 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | trans | 173.5 | 65.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S142 D146 | S142-G144 PolarHBondContact O-N 3.17Å; G144-D146 PolarHBondContact O-N 3.22Å | ||
| 145 | E | 35.4 | Very low | 53 | Low | 177 Ų | 177 | 108 Ų | 108 | 83% | 0.827 | 60% | 0.596 | S | S | * | * | trans | -66.5 | 58.1 | 172.4 | -68.9 | -178.8 | 150.8 | 0 | 0 | 111.2 | H147 | E145-H147 PolarHBondContact O-N 3.2Š| ||
| 146 | D | 39.3 | Very low | 54.8 | Low | 140 Ų | 140 | 100.7 Ų | 100.7 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | trans | -84.8 | 95.7 | 159.9 | -88.2 | -17 | 0 | 0 | 0 | 106.3 | G144 A148 | G144-D146 PolarHBondContact O-N 3.22Å; D146-A148 PolarHBondContact O-N 3.49Å | ||
| 147 | H | 50.4 | Low | 57.1 | Low | 119 Ų | 119 | 95.4 Ų | 95.4 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | trans | -55.7 | 91.9 | 162.8 | -66 | -62.7 | 0 | 0 | 0 | 107.8 | E145 W149 | E145-H147 PolarHBondContact O-N 3.2Å; H147-W149 VanDerWaalsContact C-N 3.34Å; H147-W149 PolarHBondContact O-N 2.8Å | ||
| 148 | A | 57.4 | Low | 59.3 | Low | 48 Ų | 48 | 89.6 Ų | 89.6 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | trans | -68 | 97.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | V133 D146 | V133-A148 PolarHBondContact N-O 2.94Å; D146-A148 PolarHBondContact O-N 3.49Å | ||
| 149 | W | 65 | Low | 61.7 | Low | 120 Ų | 120 | 85.1 Ų | 85.1 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.6 | 172.3 | -65.8 | 100.7 | 0 | 0 | 0 | 108.6 | N109 L130 H131 H147 | N109-W149 WeakPolarHBondContact ND2-CH2 3.35Å; N109-W149 WeakPolarHBondContact ND2-CZ3 3.23Å; L130-W149 HydrophobicContact CB-CE3 4.23Å; H131-W149 CarbonylContact O-C 3.54Å; H131-W149 WeakPolarHBondContact O-CA 3.13Å; H147-W149 VanDerWaalsContact C-N 3.34Å; H147-W149 PolarHBondContact O-N 2.8Å |
| 150 | Q | 69.1 | Low | 64.1 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.8 | 172.4 | -174.3 | 169 | -8.1 | 0 | 0 | 110.1 | L130 H131 V133 | L130-Q150 CarbonylContact C-O 3.51Å; L130-Q150 VanDerWaalsContact CA-O 3.31Å; L130-Q150 WeakPolarHBondContact CA-O 3.38Å; H131-Q150 PolarHBondContact CD2-O 3.38Å; H131-Q150 PolarHBondContact N-O 3.12Å; H131-Q150 PolarHBondContact O-N 3.07Å; V133-Q150 HydrophobicContact CB-CB 4.38Å; V133-Q150 HydrophobicContact CG2-CB 3.38Å; V133-Q150 HydrophobicContact CG2-CG 4.35Å |
| 151 | L | 77.4 | Confident | 66.6 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.5 | 174.1 | -75.7 | 154.7 | 0 | 0 | 0 | 110.5 | F46 I49 V128 L130 | F46-L151 HydrophobicContact CE1-CD2 4.18Å; I49-L151 HydrophobicContact CD1-CD1 3.18Å; I49-L151 HydrophobicContact CD1-CD2 3.37Å; I49-L151 HydrophobicContact CD1-CG 3.83Å; I49-L151 HydrophobicContact CG1-CD1 4.03Å; V128-L151 HydrophobicContact CB-CD2 3.9Å; V128-L151 HydrophobicContact CG1-CD2 4.45Å; V128-L151 HydrophobicContact CG2-CD2 4.01Å; L130-L151 HydrophobicContact CD2-CD2 3.48Å; L130-L151 VanDerWaalsContact CD2-CD2 3.48Å; L130-L151 HydrophobicContact CD2-CG 3.79Å; L130-L151 HydrophobicContact CG-CD2 4.35Å |
| 152 | L | 81 | Confident | 69.3 | Low | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.3 | 167.4 | -74.3 | 173.7 | 0 | 0 | 0 | 109.2 | I85 V97 L102 L105 A129 H131 S154 V157 | I85-L152 HydrophobicContact CG2-CD1 3.89Å; V97-L152 HydrophobicContact CB-CD2 4.42Å; V97-L152 HydrophobicContact CG1-CD2 3.63Å; V97-L152 HydrophobicContact CG2-CD2 3.85Å; L102-L152 HydrophobicContact CD2-CD1 3.83Å; L102-L152 HydrophobicContact CD2-CD2 3.68Å; L102-L152 HydrophobicContact CD2-CG 4.36Å; L105-L152 HydrophobicContact CD1-CD1 4.23Å; L105-L152 HydrophobicContact CD2-CD1 4.28Å; A129-L152 HydrophobicContact CB-CB 4.21Å; A129-L152 HydrophobicContact CB-CD1 3.72Å; A129-L152 HydrophobicContact CB-CG 4.38Å; A129-L152 PolarHBondContact O-N 3.45Å; H131-L152 HydrophobicContact CB-CD2 4.34Å; H131-L152 HydrophobicContact CB-CG 4.35Å; H131-L152 WeakPolarHBondContact CD2-CD2 3.5Å; L152-S154 PolarHBondContact O-N 3.39Å; L152-V157 HydrophobicContact CB-CG2 3.83Å |
| 153 | P | 85 | Confident | 71.6 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 31% | 0.312 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 130.4 | 177.2 | -25.3 | 33.2 | 0 | 0 | 0 | 110.9 | V97 N155 T156 V157 | V97-P153 HydrophobicContact CG2-CG 4.47Å; P153-N155 PolarHBondContact O-N 3.28Å; P153-N155 VanDerWaalsContact O-N 3.13Å; P153-T156 WeakPolarHBondContact O-CB 3.3Å; P153-T156 PolarHBondContact O-N 3.4Å; P153-V157 PolarHBondContact O-N 3.11Å; P153-V157 VanDerWaalsContact O-N 3.11Å |
| 154 | S | 85.5 | Confident | 74.3 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -30 | -178.7 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | Q50 V52 L152 A158 | Q50-S154 WeakPolarHBondContact O-CB 3.5Å; Q50-S154 PolarHBondContact OE1-OG 3.46Å; Q50-S154 VanDerWaalsContact OE1-OG 3.11Å; V52-S154 WeakPolarHBondContact CG2-O 2.86Å; L152-S154 PolarHBondContact O-N 3.39Å; S154-A158 VanDerWaalsContact O-CB 3.22Å; S154-A158 WeakPolarHBondContact O-CB 3.32Å; S154-A158 PolarHBondContact O-N 2.93Å |
| 155 | N | 86.9 | Confident | 77.1 | Confident | 86 Ų | 86 | 61 Ų | 61 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 174 | -68 | -7.5 | 0 | 0 | 0 | 112.1 | P153 A158 M159 R181 | P153-N155 PolarHBondContact O-N 3.28Å; P153-N155 VanDerWaalsContact O-N 3.13Å; N155-A158 PolarHBondContact O-N 3.45Å; N155-M159 VanDerWaalsContact O-CB 3.3Å; N155-M159 WeakPolarHBondContact O-CB 3.43Å; N155-M159 PolarHBondContact O-N 2.96Å; N155-R181 VanDerWaalsContact OD1-CD 3.26Å; N155-R181 WeakPolarHBondContact OD1-CD 3.3Å; N155-R181 PolarHBondContact OD1-NH1 3.11Å |
| 156 | T | 86.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 178.5 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | C94 V97 P153 A158 M159 V160 | C94-T156 HydrophobicContact CB-CG2 3.61Å; C94-T156 WeakPolarHBondContact SG-CG2 3.19Å; V97-T156 HydrophobicContact CG2-CG2 4.19Å; P153-T156 WeakPolarHBondContact O-CB 3.3Å; P153-T156 PolarHBondContact O-N 3.4Å; T156-A158 PolarHBondContact O-N 2.91Å; T156-M159 PolarHBondContact O-N 3.26Å; T156-V160 WeakPolarHBondContact O-CG2 3.49Å; T156-V160 PolarHBondContact O-N 3.19Å |
| 157 | V | 88.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 177.6 | 179 | 0 | 0 | 0 | 0 | 111.1 | V52 I85 F127 A129 L152 P153 M159 V160 L161 | V52-V157 HydrophobicContact CB-CG1 4.16Å; V52-V157 HydrophobicContact CG1-CG1 4.47Å; V52-V157 HydrophobicContact CG2-CB 3.8Å; V52-V157 HydrophobicContact CG2-CG1 3.75Å; I85-V157 HydrophobicContact CD1-CG1 4.31Å; I85-V157 HydrophobicContact CD1-CG2 4.34Å; F127-V157 HydrophobicContact CE2-CG1 3.76Å; F127-V157 HydrophobicContact CZ-CG1 4.11Å; A129-V157 HydrophobicContact CB-CG2 4.12Å; L152-V157 HydrophobicContact CB-CG2 3.83Å; P153-V157 PolarHBondContact O-N 3.11Å; P153-V157 VanDerWaalsContact O-N 3.11Å; V157-M159 PolarHBondContact O-N 2.79Å; V157-V160 PolarHBondContact O-N 2.85Å; V157-L161 HydrophobicContact CG1-CD1 4.35Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 3.43Å; V157-L161 VanDerWaalsContact O-N 3.09Å |
| 158 | A | 90.1 | Very high | 83.6 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V52 S154 N155 T156 V160 L161 E162 I179 | V52-A158 HydrophobicContact CG1-CB 4.38Å; V52-A158 HydrophobicContact CG2-CB 4.37Å; S154-A158 VanDerWaalsContact O-CB 3.22Å; S154-A158 WeakPolarHBondContact O-CB 3.32Å; S154-A158 PolarHBondContact O-N 2.93Å; N155-A158 PolarHBondContact O-N 3.45Å; T156-A158 PolarHBondContact O-N 2.91Å; A158-V160 PolarHBondContact O-N 3.39Å; A158-L161 PolarHBondContact O-N 2.86Å; A158-E162 WeakPolarHBondContact O-CB 3.17Å; A158-E162 VanDerWaalsContact O-CG 3.31Å; A158-E162 WeakPolarHBondContact O-CG 3.33Å; A158-E162 PolarHBondContact O-N 3.09Å; A158-I179 HydrophobicContact CB-CG2 4.03Å |
| 159 | M | 88.9 | Confident | 85 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 177.7 | -175.7 | -167.4 | -55 | 0 | 0 | 111.9 | N155 T156 V157 E162 A163 | N155-M159 VanDerWaalsContact O-CB 3.3Å; N155-M159 WeakPolarHBondContact O-CB 3.43Å; N155-M159 PolarHBondContact O-N 2.96Å; T156-M159 PolarHBondContact O-N 3.26Å; V157-M159 PolarHBondContact O-N 2.79Å; M159-E162 PolarHBondContact O-N 3.18Å; M159-A163 WeakPolarHBondContact O-CB 2.97Å; M159-A163 PolarHBondContact O-N 3.28Å |
| 160 | V | 88.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111 | W84 I85 E88 T156 V157 A158 E162 A163 R164 | W84-V160 HydrophobicContact CB-CG1 3.96Å; W84-V160 WeakPolarHBondContact O-CG1 3.27Å; I85-V160 HydrophobicContact CB-CG1 4.42Å; I85-V160 HydrophobicContact CG1-CB 4.42Å; I85-V160 HydrophobicContact CG1-CG1 3.91Å; E88-V160 HydrophobicContact CB-CB 4.26Å; E88-V160 HydrophobicContact CB-CG1 4Å; E88-V160 HydrophobicContact CB-CG2 3.67Å; E88-V160 HydrophobicContact CG-CB 4.31Å; E88-V160 HydrophobicContact CG-CG1 3.83Å; E88-V160 HydrophobicContact CG-CG2 4.25Å; T156-V160 WeakPolarHBondContact O-CG2 3.49Å; T156-V160 PolarHBondContact O-N 3.19Å; V157-V160 PolarHBondContact O-N 2.85Å; A158-V160 PolarHBondContact O-N 3.39Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.29Å; V160-A163 PolarHBondContact O-N 3.14Å; V160-R164 PolarHBondContact O-N 3.14Å; V160-R164 VanDerWaalsContact O-N 3.15Å |
| 161 | L | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 179.2 | -66.2 | 178.8 | 0 | 0 | 0 | 111.7 | V52 V54 M81 W84 F127 V157 A158 R164 I165 L168 I179 | V52-L161 HydrophobicContact CG1-CD1 3.52Å; V54-L161 HydrophobicContact CG2-CD1 4.04Å; M81-L161 HydrophobicContact CG-CD2 4.48Å; W84-L161 HydrophobicContact CE3-CD2 4.34Å; F127-L161 HydrophobicContact CE1-CD1 3.89Å; F127-L161 HydrophobicContact CZ-CD1 3.47Å; F127-L161 VanDerWaalsContact CZ-CD1 3.47Å; F127-L161 HydrophobicContact CZ-CD2 4.23Å; F127-L161 HydrophobicContact CZ-CG 4.34Å; V157-L161 HydrophobicContact CG1-CD1 4.35Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 3.43Å; V157-L161 VanDerWaalsContact O-N 3.09Å; A158-L161 PolarHBondContact O-N 2.86Å; L161-R164 CarbonylContact O-C 3.52Å; L161-R164 VanDerWaalsContact O-C 3.27Å; L161-R164 PolarHBondContact O-N 2.9Å; L161-I165 WeakPolarHBondContact O-CA 3.35Å; L161-I165 PolarHBondContact O-N 3.07Å; L161-L168 HydrophobicContact CB-CD1 3.81Å; L161-L168 HydrophobicContact CD2-CD1 4.01Å; L161-L168 HydrophobicContact CD2-CD2 4.19Å; L161-L168 HydrophobicContact CG-CD1 4.4Å; L161-L168 WeakPolarHBondContact O-CD1 3.38Å; L161-I179 VanDerWaalsContact C-CD1 3.47Å; L161-I179 HydrophobicContact CB-CD1 3.58Å; L161-I179 HydrophobicContact CB-CG1 4.35Å; L161-I179 HydrophobicContact CD1-CG2 4.48Å |
| 162 | E | 89.4 | Confident | 87 | Confident | 110 Ų | 110 | 37.8 Ų | 37.8 | 51% | 0.514 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -42 | 175.8 | -75.7 | 175.1 | -175.9 | 0 | 0 | 111.4 | A158 M159 V160 R164 I165 I179 | A158-E162 WeakPolarHBondContact O-CB 3.17Å; A158-E162 VanDerWaalsContact O-CG 3.31Å; A158-E162 WeakPolarHBondContact O-CG 3.33Å; A158-E162 PolarHBondContact O-N 3.09Å; M159-E162 PolarHBondContact O-N 3.18Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.29Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-I165 WeakPolarHBondContact O-CB 3.4Å; E162-I165 PolarHBondContact O-N 3.08Å; E162-I179 HydrophobicContact CB-CD1 4.33Å; E162-I179 HydrophobicContact CG-CB 4.33Å; E162-I179 HydrophobicContact CG-CD1 3.68Å |
| 163 | A | 86.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -30.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E88 M159 V160 | E88-A163 HydrophobicContact CG-CB 4.49Å; M159-A163 WeakPolarHBondContact O-CB 2.97Å; M159-A163 PolarHBondContact O-N 3.28Å; V160-A163 PolarHBondContact O-N 3.14Å |
| 164 | R | 87.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 26.1 | -179.7 | -60.3 | -64.5 | 179 | 176 | -3.3 | 113.7 | W84 E88 V160 L161 E162 H166 L167 L168 | W84-R164 HydrophobicContact CB-CG 4.42Å; W84-R164 HydrophobicContact CD2-CB 4.31Å; W84-R164 HydrophobicContact CG-CB 4.43Å; W84-R164 HydrophobicContact CG-CG 4.19Å; E88-R164 HydrophobicContact CG-CG 4.38Å; E88-R164 IonicContact OE1-CZ 2.84Å; E88-R164 IonicContact OE1-NE 3.12Å; E88-R164 PolarHBondContact OE1-NE 2.84Å; E88-R164 IonicContact OE1-NH2 3.74Å; E88-R164 PolarHBondContact OE1-NH2 3.04Å; V160-R164 PolarHBondContact O-N 3.14Å; V160-R164 VanDerWaalsContact O-N 3.15Å; L161-R164 CarbonylContact O-C 3.52Å; L161-R164 VanDerWaalsContact O-C 3.27Å; L161-R164 PolarHBondContact O-N 2.9Å; E162-R164 PolarHBondContact O-N 3.48Å; R164-H166 VanDerWaalsContact C-N 3.26Å; R164-H166 PolarHBondContact O-N 3.23Å; R164-H166 VanDerWaalsContact O-N 3.16Å; R164-L167 HydrophobicContact CB-CD1 4.3Å; R164-L167 HydrophobicContact CG-CD1 4.46Å; R164-L167 WeakPolarHBondContact O-CB 3.42Å; R164-L167 PolarHBondContact O-N 3.41Å; R164-L168 PolarHBondContact O-N 3.5Å |
| 165 | I | 88.6 | Confident | 86.9 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.5 | -38.6 | -175.5 | -164.5 | 167.5 | 0 | 0 | 0 | 113.5 | L161 E162 L167 L168 E169 I177 | L161-I165 WeakPolarHBondContact O-CA 3.35Å; L161-I165 PolarHBondContact O-N 3.07Å; E162-I165 WeakPolarHBondContact O-CB 3.4Å; E162-I165 PolarHBondContact O-N 3.08Å; I165-L167 VanDerWaalsContact C-N 3.28Å; I165-L167 PolarHBondContact O-N 2.9Å; I165-L168 WeakPolarHBondContact O-CB 3.35Å; I165-L168 PolarHBondContact O-N 2.94Å; I165-L168 VanDerWaalsContact O-N 3.14Å; I165-E169 WeakPolarHBondContact O-CG 3.15Å; I165-E169 PolarHBondContact O-N 2.96Å; I165-I177 HydrophobicContact CD1-CB 4.34Å; I165-I177 HydrophobicContact CD1-CG2 4.37Å; I165-I177 HydrophobicContact CG1-CB 4.16Å; I165-I177 HydrophobicContact CG1-CG2 4.18Å |
| 166 | H | 86.7 | Confident | 86.8 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -31.9 | 176.8 | 64.4 | -78.7 | 0 | 0 | 0 | 113.4 | R164 N170 | R164-H166 VanDerWaalsContact C-N 3.26Å; R164-H166 PolarHBondContact O-N 3.23Å; R164-H166 VanDerWaalsContact O-N 3.16Å; H166-N170 PolarHBondContact O-N 2.99Å; H166-N170 PolarHBondContact O-ND2 2.83Å |
| 167 | L | 87.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.4 | -37.4 | 175.6 | -59.4 | -178.3 | 0 | 0 | 0 | 111.1 | W84 R164 I165 E169 N170 I171 | W84-L167 HydrophobicContact CH2-CB 3.81Å; W84-L167 HydrophobicContact CZ2-CB 3.33Å; W84-L167 HydrophobicContact CZ2-CD1 3.83Å; W84-L167 HydrophobicContact CZ2-CG 4.21Å; W84-L167 VanDerWaalsContact NE1-CD1 3.3Å; R164-L167 HydrophobicContact CB-CD1 4.3Å; R164-L167 HydrophobicContact CG-CD1 4.46Å; R164-L167 WeakPolarHBondContact O-CB 3.42Å; R164-L167 PolarHBondContact O-N 3.41Å; I165-L167 VanDerWaalsContact C-N 3.28Å; I165-L167 PolarHBondContact O-N 2.9Å; L167-E169 VanDerWaalsContact C-N 3.3Å; L167-E169 PolarHBondContact O-N 2.88Å; L167-N170 PolarHBondContact O-N 2.85Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.38Å |
| 168 | L | 87.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 172 | -70.2 | 163.1 | 0 | 0 | 0 | 110.8 | W84 L161 R164 I165 N170 I171 F172 I177 I179 | W84-L168 HydrophobicContact CE3-CD2 4.43Å; W84-L168 HydrophobicContact CH2-CD2 4.03Å; W84-L168 HydrophobicContact CH2-CG 4.1Å; W84-L168 HydrophobicContact CZ3-CD2 3.44Å; W84-L168 VanDerWaalsContact CZ3-CD2 3.44Å; W84-L168 HydrophobicContact CZ3-CG 3.72Å; L161-L168 HydrophobicContact CB-CD1 3.81Å; L161-L168 HydrophobicContact CD2-CD1 4.01Å; L161-L168 HydrophobicContact CD2-CD2 4.19Å; L161-L168 HydrophobicContact CG-CD1 4.4Å; L161-L168 WeakPolarHBondContact O-CD1 3.38Å; R164-L168 PolarHBondContact O-N 3.5Å; I165-L168 WeakPolarHBondContact O-CB 3.35Å; I165-L168 PolarHBondContact O-N 2.94Å; I165-L168 VanDerWaalsContact O-N 3.14Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.5Å; L168-I171 PolarHBondContact O-N 3.44Å; L168-F172 HydrophobicContact CB-CD2 4.31Å; L168-F172 HydrophobicContact CB-CE2 4.42Å; L168-F172 HydrophobicContact CD2-CD2 4.37Å; L168-F172 HydrophobicContact CD2-CE2 3.68Å; L168-F172 VanDerWaalsContact O-CD2 3.23Å; L168-F172 WeakPolarHBondContact O-CD2 3.2Å; L168-F172 PolarHBondContact O-N 3.06Å; L168-I177 HydrophobicContact CB-CD1 3.45Å; L168-I177 VanDerWaalsContact CB-CD1 3.45Å; L168-I177 WeakPolarHBondContact O-CD1 3.24Å; L168-I179 HydrophobicContact CD1-CD1 4.12Å |
| 169 | E | 87.5 | Confident | 86.9 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 177 | -76.9 | 175.6 | 162.6 | 0 | 0 | 111.3 | I165 L167 S173 T174 I177 | I165-E169 WeakPolarHBondContact O-CG 3.15Å; I165-E169 PolarHBondContact O-N 2.96Å; L167-E169 VanDerWaalsContact C-N 3.3Å; L167-E169 PolarHBondContact O-N 2.88Å; E169-S173 WeakPolarHBondContact O-CA 3.32Å; E169-S173 PolarHBondContact O-N 2.65Å; E169-T174 CarbonylContact C-O 3.56Å; E169-T174 VanDerWaalsContact CA-O 3.29Å; E169-T174 WeakPolarHBondContact CA-O 3.27Å; E169-T174 WeakPolarHBondContact CB-O 3.47Å; E169-T174 WeakPolarHBondContact CG-O 3.49Å; E169-T174 PolarHBondContact O-N 2.87Å; E169-I177 HydrophobicContact CB-CD1 4.28Å; E169-I177 HydrophobicContact CG-CB 4.37Å; E169-I177 HydrophobicContact CG-CD1 3.78Å; E169-I177 HydrophobicContact CG-CG1 3.88Å |
| 170 | N | 85 | Confident | 86.8 | Confident | 73 Ų | 73 | 49 Ų | 49 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 175.1 | -72.1 | -25 | 0 | 0 | 0 | 112.5 | H166 L167 L168 S173 | H166-N170 PolarHBondContact O-N 2.99Å; H166-N170 PolarHBondContact O-ND2 2.83Å; L167-N170 PolarHBondContact O-N 2.85Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.5Å; N170-S173 PolarHBondContact O-N 3.07Å |
| 171 | I | 84.8 | Confident | 86.6 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | -179.9 | -70.2 | -173.6 | 0 | 0 | 0 | 110.4 | Y73 Y76 I77 Y80 W84 L167 L168 S173 | Y73-I171 PolarHBondContact OH-O 3.1Å; Y76-I171 HydrophobicContact CE1-CD1 4.4Å; Y76-I171 HydrophobicContact CE1-CG1 4.45Å; Y76-I171 HydrophobicContact CE1-CG2 4.43Å; I77-I171 HydrophobicContact CG1-CG2 4.01Å; Y80-I171 HydrophobicContact CD1-CD1 4.09Å; Y80-I171 HydrophobicContact CD2-CD1 3.8Å; Y80-I171 HydrophobicContact CE2-CD1 4.47Å; Y80-I171 HydrophobicContact CG-CD1 3.6Å; W84-I171 HydrophobicContact CH2-CD1 3.4Å; W84-I171 HydrophobicContact CH2-CG1 4.31Å; W84-I171 HydrophobicContact CZ2-CD1 3.81Å; W84-I171 HydrophobicContact CZ3-CD1 4.36Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.38Å; L168-I171 PolarHBondContact O-N 3.44Å; I171-S173 PolarHBondContact O-N 2.86Å |
| 172 | F | 84.7 | Confident | 85.9 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.3 | 0.1 | -178.7 | -63.1 | -60 | 0 | 0 | 0 | 113.7 | V54 F56 F61 I77 M81 L125 L168 T174 I177 | V54-F172 HydrophobicContact CG1-CD2 4.33Å; V54-F172 HydrophobicContact CG1-CE2 3.89Å; F56-F172 HydrophobicContact CB-CB 4.49Å; F56-F172 HydrophobicContact CD1-CB 4.43Å; F56-F172 HydrophobicContact CD1-CD1 4.16Å; F56-F172 HydrophobicContact CD1-CD2 4.29Å; F56-F172 HydrophobicContact CD1-CG 4.05Å; F56-F172 HydrophobicContact CD2-CB 4.16Å; F56-F172 HydrophobicContact CD2-CG 4.5Å; F56-F172 AromaticContact CE1-CD1 3.75Å; F56-F172 HydrophobicContact CE1-CD1 3.75Å; F56-F172 AromaticContact CE1-CE1 3.89Å; F56-F172 HydrophobicContact CE1-CE1 3.89Å; F56-F172 HydrophobicContact CE1-CG 4.12Å; F56-F172 HydrophobicContact CE1-CZ 4.35Å; F56-F172 HydrophobicContact CE2-CB 4.49Å; F56-F172 HydrophobicContact CE2-CD1 4.18Å; F56-F172 HydrophobicContact CG-CB 4.12Å; F56-F172 HydrophobicContact CG-CG 4.24Å; F56-F172 AromaticContact CZ-CD1 3.75Å; F56-F172 HydrophobicContact CZ-CD1 3.75Å; F56-F172 HydrophobicContact CZ-CE1 4.11Å; F56-F172 HydrophobicContact CZ-CG 4.36Å; F61-F172 HydrophobicContact CD2-CD1 4.35Å; F61-F172 HydrophobicContact CD2-CE1 4.4Å; F61-F172 AromaticContact CE2-CD1 3.96Å; F61-F172 HydrophobicContact CE2-CD1 3.96Å; F61-F172 AromaticContact CE2-CE1 3.62Å; F61-F172 HydrophobicContact CE2-CE1 3.62Å; F61-F172 HydrophobicContact CZ-CE1 4.23Å; I77-F172 HydrophobicContact CD1-CE1 3.89Å; I77-F172 HydrophobicContact CG2-CZ 4.38Å; M81-F172 HydrophobicContact CE-CZ 4.39Å; L125-F172 HydrophobicContact CD2-CE1 4.22Å; L125-F172 HydrophobicContact CD2-CZ 3.96Å; L168-F172 HydrophobicContact CB-CD2 4.31Å; L168-F172 HydrophobicContact CB-CE2 4.42Å; L168-F172 HydrophobicContact CD2-CD2 4.37Å; L168-F172 HydrophobicContact CD2-CE2 3.68Å; L168-F172 VanDerWaalsContact O-CD2 3.23Å; L168-F172 WeakPolarHBondContact O-CD2 3.2Å; L168-F172 PolarHBondContact O-N 3.06Å; F172-T174 VanDerWaalsContact C-N 3.26Å; F172-T174 HydrophobicContact CB-CG2 3.73Å; F172-T174 PolarHBondContact O-N 2.93Å; F172-I177 HydrophobicContact CD2-CD1 3.89Å |
| 173 | S | 84.5 | Confident | 85.1 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 45.6 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | E169 N170 I171 | E169-S173 WeakPolarHBondContact O-CA 3.32Å; E169-S173 PolarHBondContact O-N 2.65Å; N170-S173 PolarHBondContact O-N 3.07Å; I171-S173 PolarHBondContact O-N 2.86Å |
| 174 | T | 83.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | trans | -139 | 148.7 | -175.3 | -172.7 | 0 | 0 | 0 | 0 | 111 | F56 E169 F172 H176 I177 | F56-T174 HydrophobicContact CB-CG2 3.49Å; F56-T174 VanDerWaalsContact CB-CG2 3.49Å; F56-T174 HydrophobicContact CG-CG2 4.39Å; E169-T174 CarbonylContact C-O 3.56Å; E169-T174 VanDerWaalsContact CA-O 3.29Å; E169-T174 WeakPolarHBondContact CA-O 3.27Å; E169-T174 WeakPolarHBondContact CB-O 3.47Å; E169-T174 WeakPolarHBondContact CG-O 3.49Å; E169-T174 PolarHBondContact O-N 2.87Å; F172-T174 VanDerWaalsContact C-N 3.26Å; F172-T174 HydrophobicContact CB-CG2 3.73Å; F172-T174 PolarHBondContact O-N 2.93Å; T174-H176 PolarHBondContact OG1-N 3.48Å; T174-I177 HydrophobicContact CG2-CD1 3.91Å; T174-I177 HydrophobicContact CG2-CG1 3.55Å | ||
| 175 | N | 80.5 | Confident | 82.7 | Confident | 158 Ų | 158 | 57.9 Ų | 57.9 | 85% | 0.845 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -98.9 | 4.7 | 176.8 | -63 | -27.8 | 0 | 0 | 0 | 112.2 | ||
| 176 | H | 84.6 | Confident | 80.9 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | trans | -135.6 | 97.8 | -176.2 | -176.7 | -75.9 | 0 | 0 | 0 | 109.2 | F56 D57 T174 V178 | F56-H176 WeakPolarHBondContact CA-O 3Å; D57-H176 IonicContact OD2-CG 3.97Å; T174-H176 PolarHBondContact OG1-N 3.48Å; H176-V178 VanDerWaalsContact CE1-CG2 3.44Å; H176-V178 WeakPolarHBondContact CE1-CG2 3.4Å | ||
| 177 | I | 88.8 | Confident | 79 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.2 | 173.4 | -66.1 | -168.7 | 0 | 0 | 0 | 109.9 | V54 H55 F56 I165 L168 E169 F172 T174 I179 | V54-I177 HydrophobicContact CG1-CG2 3.78Å; H55-I177 WeakPolarHBondContact O-CA 3.36Å; F56-I177 HydrophobicContact CB-CG1 4.38Å; I165-I177 HydrophobicContact CD1-CB 4.34Å; I165-I177 HydrophobicContact CD1-CG2 4.37Å; I165-I177 HydrophobicContact CG1-CB 4.16Å; I165-I177 HydrophobicContact CG1-CG2 4.18Å; L168-I177 HydrophobicContact CB-CD1 3.45Å; L168-I177 VanDerWaalsContact CB-CD1 3.45Å; L168-I177 WeakPolarHBondContact O-CD1 3.24Å; E169-I177 HydrophobicContact CB-CD1 4.28Å; E169-I177 HydrophobicContact CG-CB 4.37Å; E169-I177 HydrophobicContact CG-CD1 3.78Å; E169-I177 HydrophobicContact CG-CG1 3.88Å; F172-I177 HydrophobicContact CD2-CD1 3.89Å; T174-I177 HydrophobicContact CG2-CD1 3.91Å; T174-I177 HydrophobicContact CG2-CG1 3.55Å; I177-I179 HydrophobicContact CG2-CG1 4.14Å |
| 178 | V | 89.1 | Confident | 76.7 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.8 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | H55 H176 N180 | H55-V178 HydrophobicContact CB-CB 4.21Å; H55-V178 PolarHBondContact CD2-O 2.01Å; H55-V178 PolarHBondContact N-O 3.31Å; H55-V178 PolarHBondContact O-N 2.84Å; H176-V178 VanDerWaalsContact CE1-CG2 3.44Å; H176-V178 WeakPolarHBondContact CE1-CG2 3.4Å; V178-N180 WeakPolarHBondContact CG1-ND2 3.44Å |
| 179 | I | 89.5 | Confident | 74.2 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.3 | 176.6 | -62.1 | 159 | 0 | 0 | 0 | 107.4 | V52 S53 A158 L161 E162 L168 I177 | V52-I179 HydrophobicContact CG1-CG2 3.9Å; S53-I179 WeakPolarHBondContact O-CA 3.2Å; A158-I179 HydrophobicContact CB-CG2 4.03Å; L161-I179 VanDerWaalsContact C-CD1 3.47Å; L161-I179 HydrophobicContact CB-CD1 3.58Å; L161-I179 HydrophobicContact CB-CG1 4.35Å; L161-I179 HydrophobicContact CD1-CG2 4.48Å; E162-I179 HydrophobicContact CB-CD1 4.33Å; E162-I179 HydrophobicContact CG-CB 4.33Å; E162-I179 HydrophobicContact CG-CD1 3.68Å; L168-I179 HydrophobicContact CD1-CD1 4.12Å; I177-I179 HydrophobicContact CG2-CG1 4.14Å |
| 180 | N | 87.4 | Confident | 71.4 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 159.9 | 179.9 | -76.4 | -39.7 | 0 | 0 | 0 | 110.4 | S53 H55 V178 | S53-N180 PolarHBondContact N-O 3.15Å; S53-N180 PolarHBondContact O-N 2.92Å; H55-N180 PolarHBondContact NE2-ND2 3.3Å; V178-N180 WeakPolarHBondContact CG1-ND2 3.44Å |
| 181 | R | 84.9 | Confident | 68.6 | Low | 148 Ų | 148 | 71.7 Ų | 71.7 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.8 | 168.6 | -67 | 169.6 | -68.1 | 169.3 | 1.2 | 108.7 | A51 N155 | A51-R181 CarbonylContact O-C 3.57Å; A51-R181 WeakPolarHBondContact O-CA 3.31Å; N155-R181 VanDerWaalsContact OD1-CD 3.26Å; N155-R181 WeakPolarHBondContact OD1-CD 3.3Å; N155-R181 PolarHBondContact OD1-NH1 3.11Å |
| 182 | T | 75.8 | Confident | 65.9 | Low | 20 Ų | 20 | 77.5 Ų | 77.5 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.2 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | W28 A51 S53 I184 | W28-T182 HydrophobicContact CH2-CG2 4.47Å; A51-T182 PolarHBondContact N-O 3.01Å; A51-T182 PolarHBondContact O-N 3.04Å; S53-T182 WeakPolarHBondContact CB-OG1 3.45Å; S53-T182 VanDerWaalsContact OG-CB 3.24Å; S53-T182 WeakPolarHBondContact OG-CB 3.48Å; S53-T182 PolarHBondContact OG-OG1 3.33Å; T182-I184 PolarHBondContact O-N 3.14Å |
| 183 | L | 72.2 | Confident | 63.4 | Low | 88 Ų | 88 | 84.1 Ų | 84.1 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.3 | 171.3 | -177.2 | 69.7 | 0 | 0 | 0 | 109.2 | Q50 K185 | Q50-L183 HydrophobicContact CG-CD1 4.28Å; L183-K185 HydrophobicContact CD2-CG 4.5Å |
| 184 | I | 65.5 | Low | 60.8 | Low | 8 Ų | 8 | 86 Ų | 86 | 4% | 0.041 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.2 | 174.7 | -57.5 | -174.9 | 0 | 0 | 0 | 107.6 | N48 I49 A51 I113 T182 | N48-I184 CarbonylContact C-O 3.48Å; N48-I184 WeakPolarHBondContact CA-O 2.99Å; N48-I184 PolarHBondContact N-O 3.19Å; N48-I184 VanDerWaalsContact N-O 3.09Å; I49-I184 HydrophobicContact CG2-CB 4.01Å; I49-I184 PolarHBondContact N-O 3.45Å; I49-I184 PolarHBondContact O-N 3.09Å; A51-I184 HydrophobicContact CB-CD1 3.52Å; A51-I184 HydrophobicContact CB-CG1 3.97Å; I113-I184 HydrophobicContact CB-CD1 3.74Å; I113-I184 HydrophobicContact CD1-CD1 3.65Å; I113-I184 HydrophobicContact CG1-CD1 4.29Å; I113-I184 HydrophobicContact CG2-CD1 3.37Å; I113-I184 HydrophobicContact CG2-CG2 4.37Å; T182-I184 PolarHBondContact O-N 3.14Å |
| 185 | K | 58.1 | Low | 58.2 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 128.5 | 179.6 | -66.8 | -177.6 | -179.4 | 178.3 | 0 | 108.7 | L183 | L183-K185 HydrophobicContact CD2-CG 4.5Š|
| 186 | G | 51.2 | Low | 55.7 | Low | 16 Ų | 16 | 91 Ų | 91 | 17% | 0.165 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 168.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | S188 | G186-S188 PolarHBondContact O-N 3.42Å; G186-S188 VanDerWaalsContact O-N 3.15Å |
| 187 | P | 46 | Very low | 53.1 | Low | 61 Ų | 61 | 97 Ų | 97 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 126.3 | 168.8 | 24 | -31.4 | 0 | 0 | 0 | 108.2 | G189 | P187-G189 PolarHBondContact O-N 3.41Š|
| 188 | S | 40 | Very low | 50.1 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 79% | 0.79 | 55% | 0.553 | S | S | * | * | trans | -55.5 | 112.4 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 107.6 | G186 R190 | G186-S188 PolarHBondContact O-N 3.42Å; G186-S188 VanDerWaalsContact O-N 3.15Å; S188-R190 PolarHBondContact O-N 2.89Å | ||
| 189 | G | 33.8 | Very low | 47.1 | Very low | 69 Ų | 69 | 107.6 Ų | 107.6 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | -47.8 | 113.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P187 N191 | P187-G189 PolarHBondContact O-N 3.41Å; G189-N191 PolarHBondContact O-N 2.96Å | ||
| 190 | R | 29.5 | Very low | 44 | Very low | 202 Ų | 202 | 109.8 Ų | 109.8 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | trans | -64.3 | 108.1 | 161.7 | -173.8 | 174.2 | 170.2 | 174.4 | -3.4 | 104.6 | S188 T192 | S188-R190 PolarHBondContact O-N 2.89Å; R190-T192 PolarHBondContact O-N 3.1Å | ||
| 191 | N | 26.3 | Very low | 41.1 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -41.3 | 118.7 | 175.6 | -85.3 | -18.3 | 0 | 0 | 0 | 108.9 | G189 N193 | G189-N191 PolarHBondContact O-N 2.96Å; N191-N193 PolarHBondContact O-N 3.44Å | ||
| 192 | T | 28.9 | Very low | 38.4 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 19.7 | -174.3 | 30.6 | 0 | 0 | 0 | 0 | 114.1 | R190 | R190-T192 PolarHBondContact O-N 3.1Š|
| 193 | N | 31.2 | Very low | 36 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 81% | 0.807 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -2.1 | 177.7 | -75.6 | -14.5 | 0 | 0 | 0 | 114.9 | N191 | N191-N193 PolarHBondContact O-N 3.44Š|
| 194 | D | 30.2 | Very low | 33.9 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -119.4 | 104.3 | -179.5 | -77.9 | -40.9 | 0 | 0 | 0 | 113.4 | ||
| 195 | G | 28.2 | Very low | 32.2 | Very low | 59 Ų | 59 | 124.2 Ų | 124.2 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | 117.8 | 68.5 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118 | K197 | G195-K197 PolarHBondContact O-N 3Š| ||
| 196 | K | 29.3 | Very low | 30.8 | Very low | 216 Ų | 216 | 121.6 Ų | 121.6 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | -59.1 | 89.9 | 127.9 | -85.2 | -177.7 | 177.9 | 175.2 | 0 | 106.8 | |||||
| 197 | K | 29.2 | Very low | 29.9 | Very low | 198 Ų | 198 | 127 Ų | 127 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -173.1 | 131.9 | 151.9 | -103.2 | 156.8 | -171.9 | -175 | 0 | 111 | G195 | G195-K197 PolarHBondContact O-N 3Š| ||
| 198 | S | 25.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -47.1 | 152.5 | -174.4 | 53 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 199 | L | 26.3 | Very low | 29.8 | Very low | 181 Ų | 181 | 130 Ų | 130 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | trans | -3.2 | 125.4 | 139.7 | -115.6 | 86.2 | 0 | 0 | 0 | 115.3 | ||||
| 200 | G | 25.1 | Very low | 30.2 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | 144.7 | 103.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 201 | N | 26.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | 81.8 | 137.3 | 139.1 | -67.7 | -11.8 | 0 | 0 | 0 | 120.3 | ||||
| 202 | L | 27.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 77.6 | 105.6 | 160.8 | -81.7 | 79.2 | 0 | 0 | 0 | 117.1 | ||||
| 203 | A | 26.3 | Very low | 32.3 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 88.6 | 110.3 | 64.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 204 | A | 27.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 28.2 | 115.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 205 | S | 28.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 128 Ų | 128 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | trans | 166.5 | 135 | 141.2 | 179 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 206 | G | 29.7 | Very low | 34.8 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | -169.3 | 149.6 | 6.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 207 | T | 33.2 | Very low | 35.7 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 127.4 | -177.7 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 208 | T | 37.9 | Very low | 36.3 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | -96.4 | 99.4 | 158.2 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | L210 | T208-L210 PolarHBondContact O-N 3.2Š| ||
| 209 | T | 44.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 12.1 | 179.2 | 36.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 210 | L | 44 | Very low | 38.2 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 71% | 0.707 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -21.1 | -176.9 | -129.1 | 138.5 | 0 | 0 | 0 | 113.2 | T208 | T208-L210 PolarHBondContact O-N 3.2Š|
| 211 | H | 39.4 | Very low | 39.5 | Very low | 140 Ų | 140 | 120 Ų | 120 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85.7 | -14.9 | 179.8 | -99.4 | -54 | 0 | 0 | 0 | 115.2 | ||
| 212 | K | 42.3 | Very low | 40.7 | Very low | 176 Ų | 176 | 116.1 Ų | 116.1 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.8 | -20.5 | 173.7 | -82.1 | -173.7 | 174.7 | -177.2 | 0 | 113.6 | ||
| 213 | A | 46.5 | Very low | 41.8 | Very low | 60 Ų | 60 | 111.3 Ų | 111.3 | 50% | 0.496 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.4 | -33.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S217 | A213-S217 PolarHBondContact O-OG 3.32Å |
| 214 | I | 50.3 | Low | 42.8 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.7 | -27.5 | -176.7 | -62.4 | 171.1 | 0 | 0 | 0 | 112 | ||
| 215 | Y | 42.5 | Very low | 43.8 | Very low | 178 Ų | 178 | 111 Ų | 111 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.1 | -23.8 | 178.7 | -107.6 | -89.9 | 0 | 0 | 0 | 113.8 | ||
| 216 | I | 48.2 | Very low | 44.8 | Very low | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.2 | -29.6 | -179.7 | -62.8 | 171.6 | 0 | 0 | 0 | 110.7 | ||
| 217 | S | 47.8 | Very low | 45.8 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76 | -29.3 | 178.2 | -50 | 0 | 0 | 0 | 0 | 113.7 | A213 | A213-S217 PolarHBondContact O-OG 3.32Å |
| 218 | L | 43.5 | Very low | 46.2 | Very low | 131 Ų | 131 | 112.9 Ų | 112.9 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.9 | -26 | 177.5 | -123.7 | 78.2 | 0 | 0 | 0 | 113 | F220 | L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 2.81Å |
| 219 | A | 44.4 | Very low | 46.4 | Very low | 59 Ų | 59 | 116.9 Ų | 116.9 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75 | -18.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 220 | F | 46.9 | Very low | 46.4 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -12.8 | 178.3 | -93.6 | -83.2 | 0 | 0 | 0 | 114.5 | L218 | L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 2.81Å |
| 221 | I | 51.7 | Low | 46.2 | Very low | 122 Ų | 122 | 112.4 Ų | 112.4 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -27.1 | 179.9 | -59.8 | 175.2 | 0 | 0 | 0 | 111.2 | ||
| 222 | S | 50.6 | Low | 46.4 | Very low | 72 Ų | 72 | 109.2 Ų | 109.2 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -79.2 | -20.7 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 223 | S | 50.7 | Low | 46.5 | Very low | 60 Ų | 60 | 105 Ų | 105 | 42% | 0.42 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.2 | -24.3 | 179.3 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | I227 | S223-I227 WeakPolarHBondContact O-CD1 3.21Å; S223-I227 WeakPolarHBondContact O-CG1 3.4Å |
| 224 | A | 47.8 | Very low | 46.3 | Very low | 64 Ų | 64 | 111 Ų | 111 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.5 | -28.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 225 | I | 49.2 | Very low | 45.7 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.6 | -29.9 | -179.1 | -60.5 | 175.2 | 0 | 0 | 0 | 110.9 | W229 | I225-W229 PolarHBondContact O-N 3.3Å |
| 226 | V | 50.1 | Low | 45.4 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73 | -31 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 112 | T230 | V226-T230 WeakPolarHBondContact O-CG2 2.73Å; V226-T230 PolarHBondContact O-N 2.89Å; V226-T230 PolarHBondContact O-OG1 3Å |
| 227 | I | 51.4 | Low | 44.8 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 57% | 0.574 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75 | -26.8 | 179.9 | -61.4 | 167.2 | 0 | 0 | 0 | 111.9 | S223 T230 | S223-I227 WeakPolarHBondContact O-CD1 3.21Å; S223-I227 WeakPolarHBondContact O-CG1 3.4Å; I227-T230 PolarHBondContact O-OG1 3.07Å; I227-T230 VanDerWaalsContact O-OG1 3.1Å |
| 228 | F | 40 | Very low | 44 | Very low | 161 Ų | 161 | 119.1 Ų | 119.1 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81 | -28.3 | 178.3 | -144.9 | -92.1 | 0 | 0 | 0 | 112.8 | S232 | F228-S232 PolarHBondContact O-OG 2.66Å |
| 229 | W | 41.8 | Very low | 43.5 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.2 | -33.6 | 176.3 | -126.1 | 56 | 0 | 0 | 0 | 112.5 | I225 C231 S232 | I225-W229 PolarHBondContact O-N 3.3Å; W229-C231 VanDerWaalsContact C-N 3.32Å; W229-C231 PolarHBondContact O-N 3.22Å; W229-S232 PolarHBondContact O-N 3.11Å |
| 230 | T | 45.7 | Very low | 42.9 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71 | -24.5 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | V226 I227 F234 | V226-T230 WeakPolarHBondContact O-CG2 2.73Å; V226-T230 PolarHBondContact O-N 2.89Å; V226-T230 PolarHBondContact O-OG1 3Å; I227-T230 PolarHBondContact O-OG1 3.07Å; I227-T230 VanDerWaalsContact O-OG1 3.1Å; T230-F234 WeakPolarHBondContact O-CD2 3.19Å |
| 231 | C | 40.3 | Very low | 42.4 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81 | -24.4 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 113.7 | W229 | W229-C231 VanDerWaalsContact C-N 3.32Å; W229-C231 PolarHBondContact O-N 3.22Å |
| 232 | S | 42.6 | Very low | 41.7 | Very low | 73 Ų | 73 | 127 Ų | 127 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -79.5 | -24.8 | -177.8 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | F228 W229 | F228-S232 PolarHBondContact O-OG 2.66Å; W229-S232 PolarHBondContact O-N 3.11Å |
| 233 | C | 45.1 | Very low | 41 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.2 | -17 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | L235 | C233-L235 PolarHBondContact O-N 2.97Å |
| 234 | F | 41.4 | Very low | 40.5 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -2.3 | -177.5 | -103.3 | -87.9 | 0 | 0 | 0 | 114.9 | T230 | T230-F234 WeakPolarHBondContact O-CD2 3.19Š|
| 235 | L | 38.1 | Very low | 39.9 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 7.4 | -179.1 | -80.2 | 166.1 | 0 | 0 | 0 | 115.1 | C233 P237 | C233-L235 PolarHBondContact O-N 2.97Å; L235-P237 VanDerWaalsContact O-CD 3.3Å; L235-P237 WeakPolarHBondContact O-CD 2.88Å |
| 236 | C | 35.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | trans | -95.7 | 108.1 | 171.2 | -85.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 237 | P | 36.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -67.5 | 139.5 | 176.2 | 28 | -32.6 | 0 | 0 | 0 | 111.1 | L235 A239 | L235-P237 VanDerWaalsContact O-CD 3.3Å; L235-P237 WeakPolarHBondContact O-CD 2.88Å; P237-A239 PolarHBondContact O-N 3.18Å | ||
| 238 | R | 31.9 | Very low | 38 | Very low | 252 Ų | 252 | 145 Ų | 145 | 95% | 0.951 | 74% | 0.74 | S | S | * | * | trans | -33.9 | 119.8 | 165.3 | -76.1 | 173.5 | 152.3 | 93.6 | -1.8 | 112.8 | ||||
| 239 | A | 32.3 | Very low | 37.8 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -157.7 | 135.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P237 | P237-A239 PolarHBondContact O-N 3.18Š| ||
| 240 | S | 31.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 71.4 | 71.5 | 159.6 | 71.7 | 0 | 0 | 0 | 0 | 119.7 | ||
| 241 | R | 36.3 | Very low | 37 | Very low | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -142.6 | 6.2 | 147.9 | -78.9 | -156.4 | -177.8 | -179.7 | 0.9 | 115.9 | ||
| 242 | F | 36.7 | Very low | 36.9 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -102.8 | 5.8 | -179.9 | -91.9 | -80.2 | 0 | 0 | 0 | 115.8 | ||
| 243 | D | 35.7 | Very low | 36.4 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -93.7 | -6.8 | -178.9 | -85.1 | -37.8 | 0 | 0 | 0 | 115.5 | ||
| 244 | I | 40 | Very low | 35.9 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -27.6 | -173.1 | -63.6 | 173.3 | 0 | 0 | 0 | 112.7 | ||
| 245 | C | 35.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -7.4 | 174.5 | -74.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 246 | K | 37.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -11.6 | -178.7 | -133.5 | 176.3 | -175.1 | 178.4 | 0 | 113.9 | ||
| 247 | C | 36.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 68% | 0.676 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -86.4 | -6.9 | -176.7 | -72 | 0 | 0 | 0 | 0 | 115.3 | ||
| 248 | W | 37 | Very low | 35.2 | Very low | 256 Ų | 256 | 150.9 Ų | 150.9 | 97% | 0.97 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -107.7 | 1.3 | -179 | -88.8 | 12.4 | 0 | 0 | 0 | 115.4 | ||
| 249 | S | 36.7 | Very low | 35.2 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -102.4 | 0.7 | -177.8 | -174 | 0 | 0 | 0 | 0 | 115.2 | ||
| 250 | N | 36.4 | Very low | 35.3 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -122.6 | 23.3 | -176.8 | -78.1 | -7.4 | 0 | 0 | 0 | 114.2 | ||||
| 251 | G | 33.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -99.9 | 52.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 252 | E | 38.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 141.4 | 163.4 | -86.4 | -172.5 | 151.5 | 0 | 0 | 110.2 | ||||
| 253 | E | 32.6 | Very low | 34.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 69 | 91.4 | 162.3 | -67 | -168.7 | 139.2 | 0 | 0 | 118.9 | ||||
| 254 | K | 34.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 165.8 | 125.6 | 105.9 | -90.3 | 163.8 | -174.6 | 173.3 | 0 | 113.3 | |||||
| 255 | Q | 35.7 | Very low | 34 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 59.2 | 114.9 | 137.2 | -66.6 | -176.4 | -7.7 | 0 | 0 | 120.7 | ||||
| 256 | N | 33.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 82.1 | 125.2 | 129.8 | -64.4 | -13.2 | 0 | 0 | 0 | 120.8 | |||||
| 257 | S | 32.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 101.3 | 98.5 | 142.2 | 75.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 258 | S | 35.2 | Very low | 34.5 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 52.9 | 98.6 | 127.6 | 54.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 259 | S | 31.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | 168.7 | 152.5 | 87.8 | -89.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 260 | P | 33.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | trans | -112 | 144.2 | -151.6 | 36.4 | -23.9 | 0 | 0 | 0 | 113.6 | ||||
| 261 | L | 28.9 | Very low | 35.3 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -173.9 | 71.8 | 151.9 | -100.8 | 144.2 | 0 | 0 | 0 | 108.2 | ||||
| 262 | V | 35.5 | Very low | 35.8 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -127.2 | 102.4 | 166 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 263 | G | 29.3 | Very low | 36.1 | Very low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -72.9 | 124.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 264 | N | 27.6 | Very low | 37.1 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 88% | 0.882 | 68% | 0.676 | S | S | * | * | trans | -25.4 | 122.6 | 165 | -64.3 | -24.9 | 0 | 0 | 0 | 117 | ||||
| 265 | S | 31.5 | Very low | 38 | Very low | 110 Ų | 110 | 107.9 Ų | 107.9 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | -162.8 | 110.7 | 127.8 | 55 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 266 | S | 34.6 | Very low | 38.8 | Very low | 78 Ų | 78 | 101.3 Ų | 101.3 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | trans | 51.4 | 97 | 152.8 | 58.9 | 0 | 0 | 0 | 0 | 121.3 | S268 | S266-S268 PolarHBondContact O-N 2.83Š| ||
| 267 | S | 37.4 | Very low | 39.6 | Very low | 125 Ų | 125 | 99 Ų | 99 | 87% | 0.874 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 22 | 155.5 | 51.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 268 | S | 48.3 | Very low | 40.7 | Very low | 53 Ų | 53 | 98.1 Ų | 98.1 | 37% | 0.371 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -29.9 | -177.5 | 54.1 | 0 | 0 | 0 | 0 | 114 | S266 S271 E272 | S266-S268 PolarHBondContact O-N 2.83Å; S268-S271 PolarHBondContact O-N 3.24Å; S268-S271 VanDerWaalsContact O-N 3.15Å; S268-S271 PolarHBondContact O-OG 3.2Å; S268-E272 PolarHBondContact O-N 2.81Å |
| 269 | D | 45.1 | Very low | 41.3 | Very low | 87 Ų | 87 | 97.5 Ų | 97.5 | 47% | 0.465 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -82.1 | -28.5 | -158.8 | -58.4 | -17.7 | 0 | 0 | 0 | 112.8 | S271 L273 | D269-S271 VanDerWaalsContact C-N 3.33Å; D269-L273 PolarHBondContact O-N 3.17Å |
| 270 | C | 37.1 | Very low | 41.8 | Very low | 100 Ų | 100 | 93.6 Ų | 93.6 | 68% | 0.676 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.8 | -26.3 | 169 | -81.4 | 0 | 0 | 0 | 0 | 113.2 | M274 | C270-M274 WeakPolarHBondContact O-CG 3.25Å; C270-M274 PolarHBondContact O-N 3.25Å; C270-M274 VanDerWaalsContact O-N 3.08Å |
| 271 | S | 44.2 | Very low | 42.5 | Very low | 68 Ų | 68 | 95.9 Ų | 95.9 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73.5 | -37.4 | -177.2 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | S268 D269 R275 | S268-S271 PolarHBondContact O-N 3.24Å; S268-S271 VanDerWaalsContact O-N 3.15Å; S268-S271 PolarHBondContact O-OG 3.2Å; D269-S271 VanDerWaalsContact C-N 3.33Å; S271-R275 PolarHBondContact O-N 3.41Å |
| 272 | E | 45 | Very low | 43.3 | Very low | 70 Ų | 70 | 90 Ų | 90 | 33% | 0.327 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 174.9 | -73.8 | -70.7 | 136.5 | 0 | 0 | 111.2 | S268 M274 R275 I276 | S268-E272 PolarHBondContact O-N 2.81Å; E272-M274 PolarHBondContact O-N 2.95Å; E272-R275 PolarHBondContact O-N 3.07Å; E272-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 IonicContact OE1-CZ 2.87Å; E272-R275 IonicContact OE1-NH1 3.12Å; E272-R275 PolarHBondContact OE1-NH1 2.93Å; E272-R275 IonicContact OE1-NH2 2.61Å; E272-R275 IonicContact OE2-CZ 3.89Å; E272-R275 IonicContact OE2-NE 3.7Å; E272-R275 IonicContact OE2-NH1 3.9Å; E272-R275 PolarHBondContact OE2-NH1 2.96Å; E272-R275 IonicContact OE2-NH2 3.43Å; E272-R275 PolarHBondContact OE2-NH2 3.47Å; E272-I276 WeakPolarHBondContact O-CG1 3.46Å; E272-I276 PolarHBondContact O-N 1.98Å |
| 273 | L | 44.4 | Very low | 43.7 | Very low | 76 Ų | 76 | 88 Ų | 88 | 40% | 0.398 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.1 | -138.3 | 132.3 | 0 | 0 | 0 | 111.7 | D269 I276 E277 | D269-L273 PolarHBondContact O-N 3.17Å; L273-I276 PolarHBondContact O-N 2.7Å; L273-E277 PolarHBondContact O-N 3.21Å; L273-E277 VanDerWaalsContact O-N 3.08Å |
| 274 | M | 52.8 | Low | 44.5 | Very low | 116 Ų | 116 | 89.7 Ų | 89.7 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 171.5 | -75.2 | -72.7 | -72.5 | 0 | 0 | 112 | C270 E272 E277 T278 | C270-M274 WeakPolarHBondContact O-CG 3.25Å; C270-M274 PolarHBondContact O-N 3.25Å; C270-M274 VanDerWaalsContact O-N 3.08Å; E272-M274 PolarHBondContact O-N 2.95Å; M274-E277 PolarHBondContact O-N 2.97Å; M274-T278 WeakPolarHBondContact O-CB 3.28Å; M274-T278 PolarHBondContact O-N 3.14Å; M274-T278 PolarHBondContact O-OG1 3.17Å |
| 275 | R | 53.8 | Low | 45.5 | Very low | 84 Ų | 84 | 89.8 Ų | 89.8 | 32% | 0.317 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.1 | -162.7 | -177.5 | 82.2 | -140.3 | -16.5 | 111.4 | S271 E272 T278 E279 | S271-R275 PolarHBondContact O-N 3.41Å; E272-R275 PolarHBondContact O-N 3.07Å; E272-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 IonicContact OE1-CZ 2.87Å; E272-R275 IonicContact OE1-NH1 3.12Å; E272-R275 PolarHBondContact OE1-NH1 2.93Å; E272-R275 IonicContact OE1-NH2 2.61Å; E272-R275 IonicContact OE2-CZ 3.89Å; E272-R275 IonicContact OE2-NE 3.7Å; E272-R275 IonicContact OE2-NH1 3.9Å; E272-R275 PolarHBondContact OE2-NH1 2.96Å; E272-R275 IonicContact OE2-NH2 3.43Å; E272-R275 PolarHBondContact OE2-NH2 3.47Å; R275-T278 PolarHBondContact O-N 2.83Å; R275-E279 HydrophobicContact CG-CG 4.4Å; R275-E279 IonicContact NE-OE1 3.23Å; R275-E279 PolarHBondContact NE-OE1 2.61Å; R275-E279 WeakPolarHBondContact O-CB 3.27Å; R275-E279 WeakPolarHBondContact O-CG 3.48Å; R275-E279 PolarHBondContact O-N 2.87Å |
| 276 | I | 52.7 | Low | 46.3 | Very low | 23 Ų | 23 | 93.4 Ų | 93.4 | 12% | 0.118 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.4 | -65.6 | 164.7 | 0 | 0 | 0 | 110.8 | W83 E272 L273 T278 E279 C280 | W83-I276 HydrophobicContact CE3-CD1 4.5Å; W83-I276 HydrophobicContact CH2-CD1 3.35Å; W83-I276 HydrophobicContact CZ2-CD1 4.13Å; W83-I276 HydrophobicContact CZ3-CD1 3.57Å; E272-I276 WeakPolarHBondContact O-CG1 3.46Å; E272-I276 PolarHBondContact O-N 1.98Å; L273-I276 PolarHBondContact O-N 2.7Å; I276-T278 VanDerWaalsContact C-N 3.31Å; I276-T278 PolarHBondContact O-N 2.88Å; I276-E279 PolarHBondContact O-N 3.04Å; I276-C280 WeakPolarHBondContact O-CB 3.47Å; I276-C280 PolarHBondContact O-N 2.97Å |
| 277 | E | 50.9 | Low | 46.6 | Very low | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.7 | -164.5 | -172.9 | 158.3 | 0 | 0 | 111.7 | L273 M274 R281 | L273-E277 PolarHBondContact O-N 3.21Å; L273-E277 VanDerWaalsContact O-N 3.08Å; M274-E277 PolarHBondContact O-N 2.97Å; E277-R281 PolarHBondContact O-N 3.25Å; E277-R281 VanDerWaalsContact O-N 3.09Å; E277-R281 IonicContact OE1-CZ 2.65Å; E277-R281 IonicContact OE1-NE 3.8Å; E277-R281 IonicContact OE1-NH2 3.61Å; E277-R281 PolarHBondContact OE1-NH2 2.61Å |
| 278 | T | 54.7 | Low | 47 | Very low | 88 Ų | 88 | 100.5 Ų | 100.5 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | -179.6 | -46.3 | 0 | 0 | 0 | 0 | 111.6 | M274 R275 I276 R281 S282 | M274-T278 WeakPolarHBondContact O-CB 3.28Å; M274-T278 PolarHBondContact O-N 3.14Å; M274-T278 PolarHBondContact O-OG1 3.17Å; R275-T278 PolarHBondContact O-N 2.83Å; I276-T278 VanDerWaalsContact C-N 3.31Å; I276-T278 PolarHBondContact O-N 2.88Å; T278-R281 PolarHBondContact O-N 2.69Å; T278-S282 PolarHBondContact O-N 3Å; T278-S282 VanDerWaalsContact O-N 3.1Å |
| 279 | E | 48.4 | Very low | 47 | Very low | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.8 | -76.3 | 177.3 | -175.5 | 0 | 0 | 111.3 | R275 I276 S282 L283 | R275-E279 HydrophobicContact CG-CG 4.4Å; R275-E279 IonicContact NE-OE1 3.23Å; R275-E279 PolarHBondContact NE-OE1 2.61Å; R275-E279 WeakPolarHBondContact O-CB 3.27Å; R275-E279 WeakPolarHBondContact O-CG 3.48Å; R275-E279 PolarHBondContact O-N 2.87Å; I276-E279 PolarHBondContact O-N 3.04Å; E279-S282 PolarHBondContact O-N 2.78Å; E279-S282 PolarHBondContact O-OG 3.24Å; E279-L283 PolarHBondContact O-N 2.84Å |
| 280 | C | 43 | Very low | 47.1 | Very low | 34 Ų | 34 | 103.9 Ų | 103.9 | 23% | 0.23 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 174.4 | -80.3 | 0 | 0 | 0 | 0 | 113.3 | I276 S282 L283 N284 | I276-C280 WeakPolarHBondContact O-CB 3.47Å; I276-C280 PolarHBondContact O-N 2.97Å; C280-S282 VanDerWaalsContact C-N 3.33Å; C280-S282 PolarHBondContact O-N 2.83Å; C280-L283 PolarHBondContact O-N 3.22Å; C280-N284 PolarHBondContact O-N 3.15Å |
| 281 | R | 47.2 | Very low | 47.7 | Very low | 162 Ų | 162 | 104.1 Ų | 104.1 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 173.8 | -77.4 | -169.9 | -165.2 | -175.7 | 9.5 | 111.9 | E277 T278 L283 N284 E285 | E277-R281 PolarHBondContact O-N 3.25Å; E277-R281 VanDerWaalsContact O-N 3.09Å; E277-R281 IonicContact OE1-CZ 2.65Å; E277-R281 IonicContact OE1-NE 3.8Å; E277-R281 IonicContact OE1-NH2 3.61Å; E277-R281 PolarHBondContact OE1-NH2 2.61Å; T278-R281 PolarHBondContact O-N 2.69Å; R281-L283 PolarHBondContact O-N 3.15Å; R281-N284 PolarHBondContact O-N 2.76Å; R281-N284 VanDerWaalsContact O-N 3.16Å; R281-E285 PolarHBondContact O-N 3.31Å; R281-E285 VanDerWaalsContact O-N 3.13Å |
| 282 | S | 46.6 | Very low | 47.9 | Very low | 52 Ų | 52 | 106.4 Ų | 106.4 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -26.9 | -179 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | T278 E279 C280 | T278-S282 PolarHBondContact O-N 3Å; T278-S282 VanDerWaalsContact O-N 3.1Å; E279-S282 PolarHBondContact O-N 2.78Å; E279-S282 PolarHBondContact O-OG 3.24Å; C280-S282 VanDerWaalsContact C-N 3.33Å; C280-S282 PolarHBondContact O-N 2.83Å |
| 283 | L | 43.9 | Very low | 48.1 | Very low | 100 Ų | 100 | 108.8 Ų | 108.8 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.5 | -31.1 | 176.3 | -76.9 | 166.9 | 0 | 0 | 0 | 112.6 | E279 C280 R281 | E279-L283 PolarHBondContact O-N 2.84Å; C280-L283 PolarHBondContact O-N 3.22Å; R281-L283 PolarHBondContact O-N 3.15Å |
| 284 | N | 45.4 | Very low | 48.3 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -79.3 | -22.8 | 175.3 | -81.5 | -14 | 0 | 0 | 0 | 113.3 | C280 R281 | C280-N284 PolarHBondContact O-N 3.15Å; R281-N284 PolarHBondContact O-N 2.76Å; R281-N284 VanDerWaalsContact O-N 3.16Å |
| 285 | E | 48.9 | Very low | 48 | Very low | 166 Ų | 166 | 110.8 Ų | 110.8 | 78% | 0.776 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.8 | 173.5 | -77.6 | 179.7 | 164 | 0 | 0 | 113.9 | R281 | R281-E285 PolarHBondContact O-N 3.31Å; R281-E285 VanDerWaalsContact O-N 3.13Å |
| 286 | K | 47.7 | Very low | 47.5 | Very low | 187 Ų | 187 | 113 Ų | 113 | 81% | 0.813 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 12 | -180 | -74.3 | -177.9 | 178.3 | 175.5 | 0 | 114.1 | ||
| 287 | R | 41 | Very low | 47 | Very low | 251 Ų | 251 | 121.2 Ų | 121.2 | 95% | 0.947 | 57% | 0.568 | S | S | * | * | trans | -123.5 | 0 | 179.8 | -146.1 | -178.3 | -162.4 | 178.9 | 2.5 | 110.5 |
Retrieved 287 of 287 residues in 96.5 ms
(Link to these results)