| 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 | 70.6 | Confident | 91.9 | Very high | 155 Ų | 155 | 101.5 Ų | 101.5 | 76% | 0.764 | 49% | 0.487 | S | S | * | . | 0 | 128.2 | 0 | -88 | -171 | -76.1 | 0 | 0 | 109 | K24 | M1-K24 HydrophobicContact CB-CB 4.48Å; M1-K24 HydrophobicContact CB-CD 4.31Å; M1-K24 HydrophobicContact CE-CB 3.47Å; M1-K24 VanDerWaalsContact CE-CB 3.47Å; M1-K24 WeakPolarHBondContact CE-O 3.49Å; M1-K24 HydrophobicContact SD-CB 3.36Å; M1-K24 WeakPolarHBondContact SD-CB 3.4Å | |||
| 2 | G | 88.8 | Confident | 92.3 | Very high | 59 Ų | 59 | 105.3 Ų | 105.3 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | trans | -85.7 | -136.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K24 | G2-K24 PolarHBondContact O-NZ 3.1Š| ||
| 3 | I | 94.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 114.4 Ų | 114.4 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | trans | -54.9 | 137.5 | 175.9 | -57.3 | 167 | 0 | 0 | 0 | 109.5 | G30 | I3-G30 PolarHBondContact O-N 3.45Š| ||
| 4 | S | 94.9 | Very high | 93 | Very high | 23 Ų | 23 | 115.1 Ų | 115.1 | 16% | 0.161 | 55% | 0.546 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 143.4 | -178.9 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | D6 E28 | S4-D6 WeakPolarHBondContact CB-OD1 3.41Å; S4-D6 PolarHBondContact OG-OD1 3.37Å; S4-E28 CarbonylContact C-O 3.21Å; S4-E28 WeakPolarHBondContact CA-O 3.48Å |
| 5 | R | 95.1 | Very high | 93.2 | Very high | 207 Ų | 207 | 109.8 Ų | 109.8 | 78% | 0.781 | 53% | 0.534 | S | S | * | . | trans | -106.5 | 18.9 | -179.6 | -61.1 | -177.1 | 66.8 | -179 | -0.4 | 112.1 | E28 | R5-E28 PolarHBondContact N-O 2.97Š| ||
| 6 | D | 94.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 104.9 Ų | 104.9 | 6% | 0.064 | 52% | 0.521 | C | S | . | . | trans | -66.9 | 162.6 | 175 | 65.4 | -70.5 | 0 | 0 | 0 | 111.6 | S4 W8 H9 | S4-D6 WeakPolarHBondContact CB-OD1 3.41Å; S4-D6 PolarHBondContact OG-OD1 3.37Å; D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.29Å; D6-W8 HydrophobicContact CB-CZ2 4.19Å; D6-W8 VanDerWaalsContact CB-NE1 3.27Å; D6-W8 VanDerWaalsContact OD2-CD2 3.27Å; D6-W8 VanDerWaalsContact OD2-CE2 3.31Å; D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 PolarHBondContact O-CE1 3.39Å; D6-H9 PolarHBondContact O-ND1 3.09Å; D6-H9 VanDerWaalsContact O-ND1 3.07Å; D6-H9 IonicContact OD1-ND1 2.92Å; D6-H9 PolarHBondContact OD1-ND1 3.24Å; D6-H9 WeakPolarHBondContact OD2-CB 3.34Å; D6-H9 IonicContact OD2-CE1 3.21Å; D6-H9 IonicContact OD2-CG 2.83Å; D6-H9 PolarHBondContact OD2-N 3.16Å; D6-H9 VanDerWaalsContact OD2-N 3.1Å; D6-H9 IonicContact OD2-ND1 3.69Å; D6-H9 PolarHBondContact OD2-ND1 3.45Å | ||
| 7 | N | 94.6 | Very high | 93.7 | Very high | 113 Ų | 113 | 109.3 Ų | 109.3 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -107.1 | -9.4 | 178.4 | 62.5 | 1.2 | 0 | 0 | 0 | 112.9 | K10 | N7-K10 PolarHBondContact O-N 2.98Š|
| 8 | W | 92.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 108.7 Ų | 108.7 | 11% | 0.11 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18 | -172.6 | 50.8 | -102.1 | 0 | 0 | 0 | 113.2 | D6 K10 P20 H22 K24 E28 | D6-W8 HydrophobicContact CB-CD2 4.28Å; D6-W8 HydrophobicContact CB-CG 4.29Å; D6-W8 HydrophobicContact CB-CZ2 4.19Å; D6-W8 VanDerWaalsContact CB-NE1 3.27Å; D6-W8 VanDerWaalsContact OD2-CD2 3.27Å; D6-W8 VanDerWaalsContact OD2-CE2 3.31Å; W8-K10 PolarHBondContact O-N 3.22Å; W8-P20 HydrophobicContact CE3-CB 3.96Å; W8-P20 HydrophobicContact CE3-CG 4.18Å; W8-P20 HydrophobicContact CH2-CB 4.44Å; W8-P20 HydrophobicContact CZ3-CB 3.58Å; W8-P20 HydrophobicContact CZ3-CG 3.84Å; W8-H22 AromaticContact CE2-CE1 3.74Å; W8-H22 AromaticContact CZ2-CE1 3.85Å; W8-H22 AromaticContact CZ2-ND1 3.94Å; W8-H22 AromaticContact NE1-CE1 3.43Å; W8-H22 PolarHBondContact NE1-CE1 3.44Å; W8-K24 HydrophobicContact CH2-CG 4.31Å; W8-K24 HydrophobicContact CZ2-CG 4.43Å; W8-E28 PolarHBondContact NE1-OE1 3.32Å |
| 9 | H | 93.1 | Very high | 94 | Very high | 108 Ų | 108 | 113.5 Ų | 113.5 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.3 | 168.1 | 72.3 | -90.4 | 0 | 0 | 0 | 113.6 | D6 | D6-H9 VanDerWaalsContact CG-ND1 3.29Å; D6-H9 PolarHBondContact O-CE1 3.39Å; D6-H9 PolarHBondContact O-ND1 3.09Å; D6-H9 VanDerWaalsContact O-ND1 3.07Å; D6-H9 IonicContact OD1-ND1 2.92Å; D6-H9 PolarHBondContact OD1-ND1 3.24Å; D6-H9 WeakPolarHBondContact OD2-CB 3.34Å; D6-H9 IonicContact OD2-CE1 3.21Å; D6-H9 IonicContact OD2-CG 2.83Å; D6-H9 PolarHBondContact OD2-N 3.16Å; D6-H9 VanDerWaalsContact OD2-N 3.1Å; D6-H9 IonicContact OD2-ND1 3.69Å; D6-H9 PolarHBondContact OD2-ND1 3.45Å |
| 10 | K | 95.9 | Very high | 94.1 | Very high | 132 Ų | 132 | 112.4 Ų | 112.4 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -84.8 | 159 | 178.5 | -60.9 | -171.6 | 179.5 | -175.8 | 0 | 111.9 | N7 W8 R18 | N7-K10 PolarHBondContact O-N 2.98Å; W8-K10 PolarHBondContact O-N 3.22Å; K10-R18 WeakPolarHBondContact O-CD 3.14Å |
| 11 | R | 96.6 | Very high | 94.1 | Very high | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -65 | 158.6 | 173.2 | -71 | 177.9 | 176.7 | -96.8 | 5.7 | 111.6 | G15 | R11-G15 WeakPolarHBondContact CD-O 3.45Å; R11-G15 PolarHBondContact NH1-O 2.71Å |
| 12 | R | 96.4 | Very high | 95.3 | Very high | 147 Ų | 147 | 109.8 Ų | 109.8 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 164.9 | 170.1 | -71.4 | 177.7 | 176 | -168 | -1.1 | 110.6 | T14 G15 G16 R18 | R12-T14 PolarHBondContact O-N 2.99Å; R12-G15 PolarHBondContact O-N 3.2Å; R12-G16 PolarHBondContact N-O 3.48Å; R12-R18 HydrophobicContact CG-CG 3.78Å |
| 13 | K | 96.9 | Very high | 95.6 | Very high | 223 Ų | 223 | 115.6 Ų | 115.6 | 97% | 0.97 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.8 | 169.3 | -172.5 | 178.3 | 178.4 | -176.4 | 0 | 111.8 | G15 | K13-G15 PolarHBondContact O-N 2.99Š|
| 14 | T | 97.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 0.5 | 174.6 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | R12 G16 | R12-T14 PolarHBondContact O-N 2.99Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.09Å |
| 15 | G | 97.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 119.4 Ų | 119.4 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 83.2 | -13.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R11 R12 K13 | R11-G15 WeakPolarHBondContact CD-O 3.45Å; R11-G15 PolarHBondContact NH1-O 2.71Å; R12-G15 PolarHBondContact O-N 3.2Å; K13-G15 PolarHBondContact O-N 2.99Å |
| 16 | G | 97.8 | Very high | 95.7 | Very high | 32 Ų | 32 | 118.2 Ų | 118.2 | 33% | 0.33 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 137.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R12 T14 | R12-G16 PolarHBondContact N-O 3.48Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 3.09Å |
| 17 | K | 96.8 | Very high | 95.8 | Very high | 179 Ų | 179 | 124.3 Ų | 124.3 | 78% | 0.778 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 135.2 | 176 | -172.1 | 176.4 | -178.9 | 179.1 | 0 | 110.2 | ||
| 18 | R | 96.3 | Very high | 95.8 | Very high | 98 Ų | 98 | 120 Ų | 120 | 37% | 0.37 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -93 | 134.2 | 175.1 | -65.7 | -178.6 | 173.8 | 178.4 | -6.4 | 109.8 | K10 R12 | K10-R18 WeakPolarHBondContact O-CD 3.14Å; R12-R18 HydrophobicContact CG-CG 3.78Å |
| 19 | K | 95.9 | Very high | 96 | Very high | 201 Ų | 201 | 122 Ų | 122 | 87% | 0.874 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 126.2 | 168.3 | -68.4 | -175.2 | -179.3 | 180 | 0 | 108.6 | Y21 | K19-Y21 PolarHBondContact O-N 3.44Š|
| 20 | P | 95.7 | Very high | 96.1 | Very high | 90 Ų | 90 | 117.6 Ų | 117.6 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 129.9 | 172.9 | -25 | 35.8 | 0 | 0 | 0 | 111.3 | W8 | W8-P20 HydrophobicContact CE3-CB 3.96Å; W8-P20 HydrophobicContact CE3-CG 4.18Å; W8-P20 HydrophobicContact CH2-CB 4.44Å; W8-P20 HydrophobicContact CZ3-CB 3.58Å; W8-P20 HydrophobicContact CZ3-CG 3.84Å |
| 21 | Y | 95.5 | Very high | 96.1 | Very high | 180 Ų | 180 | 116.4 Ų | 116.4 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | trans | -98.2 | -15.5 | 179.9 | 66.4 | -80.7 | 0 | 0 | 0 | 113.2 | K19 | K19-Y21 PolarHBondContact O-N 3.44Š| ||
| 22 | H | 95.4 | Very high | 96 | Very high | 34 Ų | 34 | 112.7 Ų | 112.7 | 16% | 0.157 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -145.2 | 165 | 175.1 | 63.8 | 51.2 | 0 | 0 | 0 | 111.9 | W8 E28 | W8-H22 AromaticContact CE2-CE1 3.74Å; W8-H22 AromaticContact CZ2-CE1 3.85Å; W8-H22 AromaticContact CZ2-ND1 3.94Å; W8-H22 AromaticContact NE1-CE1 3.43Å; W8-H22 PolarHBondContact NE1-CE1 3.44Å; H22-E28 IonicContact CE1-OE1 3.96Å |
| 23 | K | 95.1 | Very high | 96 | Very high | 180 Ų | 180 | 109.1 Ų | 109.1 | 78% | 0.783 | 53% | 0.53 | S | S | * | . | trans | -69.7 | 158.3 | 170 | -61 | -179.2 | -178.2 | 177.7 | 0 | 110.5 | ||||
| 24 | K | 96.2 | Very high | 96 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | trans | -52 | 148 | 175.9 | -70.6 | 173.6 | 174.8 | 180 | 0 | 111.2 | M1 G2 W8 | M1-K24 HydrophobicContact CB-CB 4.48Å; M1-K24 HydrophobicContact CB-CD 4.31Å; M1-K24 HydrophobicContact CE-CB 3.47Å; M1-K24 VanDerWaalsContact CE-CB 3.47Å; M1-K24 WeakPolarHBondContact CE-O 3.49Å; M1-K24 HydrophobicContact SD-CB 3.36Å; M1-K24 WeakPolarHBondContact SD-CB 3.4Å; G2-K24 PolarHBondContact O-NZ 3.1Å; W8-K24 HydrophobicContact CH2-CG 4.31Å; W8-K24 HydrophobicContact CZ2-CG 4.43Å | ||
| 25 | R | 95.4 | Very high | 96 | Very high | 125 Ų | 125 | 98 Ų | 98 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | trans | -112.5 | 152.6 | 179.2 | -60.3 | -62.3 | -171.1 | 173.7 | 1.8 | 112.2 | Y27 E28 | R25-Y27 HydrophobicContact CB-CD1 3.78Å; R25-Y27 HydrophobicContact CB-CE1 3.31Å; R25-Y27 HydrophobicContact CB-CE2 4.16Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.75Å; R25-Y27 PolarHBondContact O-N 3.41Å; R25-E28 HydrophobicContact CB-CG 4.22Å; R25-E28 PolarHBondContact N-OE2 3.04Å; R25-E28 PolarHBondContact O-N 2.71Å | ||
| 26 | K | 95.3 | Very high | 96 | Very high | 182 Ų | 182 | 96.5 Ų | 96.5 | 79% | 0.791 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -58.9 | -33.6 | -178.5 | -170.7 | 173 | -176.7 | 174.9 | 0 | 112.4 | E28 L29 | K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 2.77Å; K26-L29 HydrophobicContact CG-CD2 4.39Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 WeakPolarHBondContact O-CD2 3.33Å; K26-L29 WeakPolarHBondContact O-CG 3.29Å; K26-L29 PolarHBondContact O-N 2.99Å |
| 27 | Y | 95.1 | Very high | 96 | Very high | 140 Ų | 140 | 98.1 Ų | 98.1 | 55% | 0.549 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -74.4 | -16.6 | 179 | 60.1 | -100.5 | 0 | 0 | 0 | 113.8 | R25 L29 | R25-Y27 HydrophobicContact CB-CD1 3.78Å; R25-Y27 HydrophobicContact CB-CE1 3.31Å; R25-Y27 HydrophobicContact CB-CE2 4.16Å; R25-Y27 HydrophobicContact CB-CG 4.36Å; R25-Y27 HydrophobicContact CG-CE1 3.75Å; R25-Y27 PolarHBondContact O-N 3.41Å; Y27-L29 VanDerWaalsContact C-N 3.26Å |
| 28 | E | 95.4 | Very high | 96 | Very high | 23 Ų | 23 | 91.8 Ų | 91.8 | 11% | 0.107 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -86.1 | 2.2 | 177.2 | -56.8 | 174.2 | 137.9 | 0 | 0 | 112 | S4 R5 W8 H22 R25 K26 G30 | S4-E28 CarbonylContact C-O 3.21Å; S4-E28 WeakPolarHBondContact CA-O 3.48Å; R5-E28 PolarHBondContact N-O 2.97Å; W8-E28 PolarHBondContact NE1-OE1 3.32Å; H22-E28 IonicContact CE1-OE1 3.96Å; R25-E28 HydrophobicContact CB-CG 4.22Å; R25-E28 PolarHBondContact N-OE2 3.04Å; R25-E28 PolarHBondContact O-N 2.71Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 2.77Å; E28-G30 PolarHBondContact O-N 2.87Å |
| 29 | L | 95.9 | Very high | 96 | Very high | 70 Ų | 70 | 87.9 Ų | 87.9 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 134.7 | -171.5 | 83.4 | 90.4 | 0 | 0 | 0 | 112.8 | K26 Y27 R31 | K26-L29 HydrophobicContact CG-CD2 4.39Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 WeakPolarHBondContact O-CD2 3.33Å; K26-L29 WeakPolarHBondContact O-CG 3.29Å; K26-L29 PolarHBondContact O-N 2.99Å; Y27-L29 VanDerWaalsContact C-N 3.26Å; L29-R31 HydrophobicContact CD1-CG 3.72Å |
| 30 | G | 95.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 82.5 Ų | 82.5 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | trans | -95.8 | 159.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I3 E28 | I3-G30 PolarHBondContact O-N 3.45Å; E28-G30 PolarHBondContact O-N 2.87Å | ||
| 31 | R | 95.7 | Very high | 96.2 | Very high | 106 Ų | 106 | 87.2 Ų | 87.2 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | trans | -127.2 | 152.2 | 170.8 | -69.3 | -172.8 | 176 | 97.7 | -11.7 | 109.4 | L29 R47 | L29-R31 HydrophobicContact CD1-CG 3.72Å; R31-R47 PolarHBondContact NH2-O 3.44Å | ||
| 32 | P | 96.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 84.4 Ų | 84.4 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | trans | -51.2 | 150.1 | 173 | -26.8 | 35.2 | 0 | 0 | 0 | 112.8 | ||||
| 33 | A | 96.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 85.7 Ų | 85.7 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | trans | -64.4 | 151.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N35 | A33-N35 WeakPolarHBondContact CB-OD1 3.28Š| ||
| 34 | A | 95.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 82.1 Ų | 82.1 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -80.9 | -28.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T36 | A34-T36 VanDerWaalsContact C-N 3.27Å; A34-T36 PolarHBondContact O-N 3.14Å | ||
| 35 | N | 96.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 82.7 Ų | 82.7 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | trans | 43.8 | 50.6 | -177.8 | -63.8 | -16.5 | 0 | 0 | 0 | 113.2 | A33 K37 T95 | A33-N35 WeakPolarHBondContact CB-OD1 3.28Å; N35-K37 WeakPolarHBondContact O-CG 3.44Å; N35-K37 PolarHBondContact O-N 3.49Å; N35-T95 HydrophobicContact CB-CG2 4.49Å | ||
| 36 | T | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | trans | -52 | 128.6 | -177.3 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | A34 A57 L58 L60 T95 L96 P176 | A34-T36 VanDerWaalsContact C-N 3.27Å; A34-T36 PolarHBondContact O-N 3.14Å; T36-A57 HydrophobicContact CG2-CB 3.58Å; T36-A57 PolarHBondContact OG1-O 3.48Å; T36-A57 VanDerWaalsContact OG1-O 3.06Å; T36-L58 WeakPolarHBondContact CA-O 3.46Å; T36-L60 HydrophobicContact CG2-CB 4.46Å; T36-L60 HydrophobicContact CG2-CD1 4.22Å; T36-L60 HydrophobicContact CG2-CG 4.19Å; T36-T95 CarbonylContact O-C 3.51Å; T36-T95 WeakPolarHBondContact O-CA 3.37Å; T36-L96 HydrophobicContact CG2-CB 4.38Å; T36-L96 HydrophobicContact CG2-CD1 4.38Å; T36-L96 PolarHBondContact O-N 3.23Å; T36-P176 HydrophobicContact CG2-CB 4.14Å | ||
| 37 | K | 97.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 78.8 Ų | 78.8 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 163.2 | 178.6 | -58.6 | -56.3 | -174 | 174.5 | 0 | 112.2 | N35 L58 R59 L60 T93 T95 | N35-K37 WeakPolarHBondContact O-CG 3.44Å; N35-K37 PolarHBondContact O-N 3.49Å; K37-L58 PolarHBondContact N-O 3.24Å; K37-R59 CarbonylContact O-C 3.49Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.38Å; K37-L60 PolarHBondContact O-N 3.1Å; K37-T93 WeakPolarHBondContact CD-O 3.23Å; K37-T93 PolarHBondContact NZ-O 3.37Å; K37-T93 PolarHBondContact NZ-OG1 3.17Å; K37-T95 PolarHBondContact NZ-OG1 3.05Å |
| 38 | I | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 73.6 Ų | 73.6 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.3 | 166.8 | -58.3 | 175 | 0 | 0 | 0 | 108.9 | L60 I78 V81 K94 L96 | I38-L60 VanDerWaalsContact CA-O 3.3Å; I38-L60 WeakPolarHBondContact CA-O 3.44Å; I38-I78 HydrophobicContact CD1-CG2 4.03Å; I38-I78 HydrophobicContact CG1-CG2 4.33Å; I38-V81 HydrophobicContact CD1-CG2 4.1Å; I38-K94 HydrophobicContact CD1-CB 4.41Å; I38-L96 HydrophobicContact CD1-CD2 4.39Å; I38-L96 HydrophobicContact CG1-CD1 4.29Å; I38-L96 HydrophobicContact CG1-CD2 3.99Å; I38-L96 HydrophobicContact CG1-CG 4.23Å |
| 39 | G | 97 | Very high | 96.9 | Very high | 16 Ų | 16 | 82.3 Ų | 82.3 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 157.1 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R41 L60 D61 | G39-R41 PolarHBondContact O-N 3.41Å; G39-L60 PolarHBondContact N-O 2.99Å; G39-L60 CarbonylContact O-C 3.52Å; G39-L60 PolarHBondContact O-N 3.48Å; G39-D61 WeakPolarHBondContact O-CB 3.25Å; G39-D61 PolarHBondContact O-N 3.45Å |
| 40 | P | 97.5 | Very high | 97 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -58.7 | 133 | -174.6 | 24.1 | -34.4 | 0 | 0 | 0 | 111 | R42 R59 | P40-R42 PolarHBondContact O-N 3Å; P40-R42 VanDerWaalsContact O-N 3.1Å; P40-R59 WeakPolarHBondContact O-CB 3.5Å |
| 41 | R | 97.8 | Very high | 97 | Very high | 190 Ų | 190 | 83.3 Ų | 83.3 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | trans | -48.8 | 114 | -171.7 | -172.4 | 178.3 | 79.9 | 157.3 | 1.7 | 112.6 | G39 I43 R59 L60 | G39-R41 PolarHBondContact O-N 3.41Å; R41-I43 HydrophobicContact CG-CD1 4.12Å; R41-I43 HydrophobicContact CG-CG1 4.34Å; R41-R59 WeakPolarHBondContact CA-O 3.49Å; R41-L60 HydrophobicContact CG-CD2 4.04Å | ||
| 42 | R | 98.2 | Very high | 97.1 | Very high | 120 Ų | 120 | 83.6 Ų | 83.6 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 115.5 | 174.1 | -173.3 | -178.1 | -66.3 | -178.3 | -4.4 | 110.2 | P40 L58 R59 | P40-R42 PolarHBondContact O-N 3Å; P40-R42 VanDerWaalsContact O-N 3.1Å; R42-L58 HydrophobicContact CG-CB 4.46Å; R42-L58 HydrophobicContact CG-CD1 4.41Å; R42-L58 PolarHBondContact O-N 3.18Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 PolarHBondContact N-O 2.94Å; R42-R59 PolarHBondContact O-N 3.08Å |
| 43 | I | 98 | Very high | 97.1 | Very high | 62 Ų | 62 | 86 Ų | 86 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.7 | -176.2 | -57.5 | 170 | 0 | 0 | 0 | 109.2 | R41 Y55 R56 A57 L60 G180 | R41-I43 HydrophobicContact CG-CD1 4.12Å; R41-I43 HydrophobicContact CG-CG1 4.34Å; I43-Y55 HydrophobicContact CG2-CD1 4.29Å; I43-R56 WeakPolarHBondContact CA-O 3.49Å; I43-A57 HydrophobicContact CG1-CB 4.39Å; I43-L60 HydrophobicContact CD1-CD2 4.11Å; I43-L60 HydrophobicContact CG1-CD2 4.24Å; I43-G180 WeakPolarHBondContact CD1-O 3.29Å |
| 44 | H | 98 | Very high | 97.2 | Very high | 104 Ų | 104 | 86.7 Ų | 86.7 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.2 | 174.7 | -71.5 | -163.2 | 0 | 0 | 0 | 110.6 | R56 | H44-R56 PolarHBondContact N-O 3.21Å; H44-R56 PolarHBondContact O-N 2.81Å |
| 45 | T | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 91 Ų | 91 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.1 | 173.8 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | Y55 | T45-Y55 HydrophobicContact CG2-CD1 3.65Å; T45-Y55 HydrophobicContact CG2-CE1 3.56Å |
| 46 | V | 97.2 | Very high | 97.4 | Very high | 34 Ų | 34 | 88.5 Ų | 88.5 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.1 | 177.5 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | K54 R56 | V46-K54 PolarHBondContact N-O 3.49Å; V46-K54 PolarHBondContact O-N 2.93Å; V46-R56 HydrophobicContact CG2-CB 4.47Å; V46-R56 HydrophobicContact CG2-CG 3.64Å |
| 47 | R | 97.3 | Very high | 97.4 | Very high | 192 Ų | 192 | 88.4 Ų | 88.4 | 73% | 0.725 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 132.1 | 171.9 | -172.6 | 175.1 | 178.2 | 152 | 1.2 | 110.5 | R31 | R31-R47 PolarHBondContact NH2-O 3.44Å |
| 48 | V | 96.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 88 Ų | 88 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | trans | -117.8 | -178.8 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | G51 N52 K54 | V48-G51 PolarHBondContact O-N 3.48Å; V48-N52 HydrophobicContact CG2-CB 3.68Å; V48-N52 WeakPolarHBondContact CG2-O 3.5Å; V48-N52 PolarHBondContact N-O 3.21Å; V48-K54 HydrophobicContact CG1-CB 4.26Å; V48-K54 HydrophobicContact CG1-CD 3.97Å; V48-K54 HydrophobicContact CG1-CG 3.88Å; V48-K54 HydrophobicContact CG2-CG 4.33Å | ||
| 49 | R | 95.1 | Very high | 97.4 | Very high | 205 Ų | 205 | 90.5 Ų | 90.5 | 77% | 0.774 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -56.9 | 141.7 | 178.9 | -172.9 | 177.4 | -178.1 | 178.4 | 0.2 | 110.2 | G51 | R49-G51 VanDerWaalsContact C-N 3.3Š|
| 50 | G | 96.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 90 Ų | 90 | 75% | 0.753 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | 76.6 | 12.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N52 | G50-N52 PolarHBondContact O-N 3.1Š|
| 51 | G | 95.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 88.3 Ų | 88.3 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | 81.9 | -5.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V48 R49 | V48-G51 PolarHBondContact O-N 3.48Å; R49-G51 VanDerWaalsContact C-N 3.3Å |
| 52 | N | 97.7 | Very high | 97.4 | Very high | 112 Ų | 112 | 81.3 Ų | 81.3 | 60% | 0.599 | 40% | 0.395 | S | S | * | . | trans | -63.3 | 161.3 | 177.8 | -66.7 | -32.6 | 0 | 0 | 0 | 112.9 | V48 G50 | V48-N52 HydrophobicContact CG2-CB 3.68Å; V48-N52 WeakPolarHBondContact CG2-O 3.5Å; V48-N52 PolarHBondContact N-O 3.21Å; G50-N52 PolarHBondContact O-N 3.1Å | ||
| 53 | K | 97.1 | Very high | 97.3 | Very high | 149 Ų | 149 | 75.9 Ų | 75.9 | 65% | 0.648 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.7 | 177.5 | -65.5 | 176.2 | -178 | 173.9 | 0 | 110.6 | ||
| 54 | K | 98.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.7 | 165.1 | -70.1 | -167 | 173.8 | -175.3 | 0 | 109.7 | V46 V48 Q178 | V46-K54 PolarHBondContact N-O 3.49Å; V46-K54 PolarHBondContact O-N 2.93Å; V48-K54 HydrophobicContact CG1-CB 4.26Å; V48-K54 HydrophobicContact CG1-CD 3.97Å; V48-K54 HydrophobicContact CG1-CG 3.88Å; V48-K54 HydrophobicContact CG2-CG 4.33Å; K54-Q178 VanDerWaalsContact CD-OE1 3.27Å |
| 55 | Y | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 71.3 Ų | 71.3 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.8 | -176.6 | -58.5 | -83.2 | 0 | 0 | 0 | 109.3 | I43 T45 Q178 G180 | I43-Y55 HydrophobicContact CG2-CD1 4.29Å; T45-Y55 HydrophobicContact CG2-CD1 3.65Å; T45-Y55 HydrophobicContact CG2-CE1 3.56Å; Y55-Q178 PolarHBondContact N-O 3.2Å; Y55-Q178 CarbonylContact O-C 3.58Å; Y55-Q178 VanDerWaalsContact O-O 3.14Å; Y55-G180 PolarHBondContact O-N 3.33Å; Y55-G180 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 98.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 68.6 Ų | 68.6 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 98.5 | 177.1 | -70.8 | -78 | 178.3 | 175.7 | 15.6 | 107.9 | I43 H44 V46 L58 G177 Q178 | I43-R56 WeakPolarHBondContact CA-O 3.49Å; H44-R56 PolarHBondContact N-O 3.21Å; H44-R56 PolarHBondContact O-N 2.81Å; V46-R56 HydrophobicContact CG2-CB 4.47Å; V46-R56 HydrophobicContact CG2-CG 3.64Å; R56-L58 PolarHBondContact O-N 3.24Å; R56-G177 WeakPolarHBondContact CD-O 3.42Å; R56-G177 VanDerWaalsContact CZ-O 3.3Å; R56-G177 PolarHBondContact NE-O 3.2Å; R56-G177 PolarHBondContact NH1-O 3.25Å; R56-Q178 VanDerWaalsContact CZ-NE2 3.34Å |
| 57 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | T36 I43 L60 P176 | T36-A57 HydrophobicContact CG2-CB 3.58Å; T36-A57 PolarHBondContact OG1-O 3.48Å; T36-A57 VanDerWaalsContact OG1-O 3.06Å; I43-A57 HydrophobicContact CG1-CB 4.39Å; A57-L60 HydrophobicContact CB-CD1 3.6Å; A57-L60 HydrophobicContact CB-CD2 4.35Å; A57-L60 HydrophobicContact CB-CG 3.78Å; A57-P176 HydrophobicContact CB-CB 4.27Å; A57-P176 WeakPolarHBondContact CB-O 3.4Å; A57-P176 PolarHBondContact N-O 3.31Å |
| 58 | L | 97.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -37.9 | 170 | -60.8 | 179.8 | 0 | 0 | 0 | 110.1 | T36 K37 R42 R56 | T36-L58 WeakPolarHBondContact CA-O 3.46Å; K37-L58 PolarHBondContact N-O 3.24Å; R42-L58 HydrophobicContact CG-CB 4.46Å; R42-L58 HydrophobicContact CG-CD1 4.41Å; R42-L58 PolarHBondContact O-N 3.18Å; R56-L58 PolarHBondContact O-N 3.24Å |
| 59 | R | 98.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.2 | 174.9 | -63.8 | 179.8 | -171.4 | 166.7 | -1.2 | 110.4 | K37 P40 R41 R42 | K37-R59 CarbonylContact O-C 3.49Å; K37-R59 VanDerWaalsContact O-CA 3.24Å; K37-R59 WeakPolarHBondContact O-CA 3.38Å; P40-R59 WeakPolarHBondContact O-CB 3.5Å; R41-R59 WeakPolarHBondContact CA-O 3.49Å; R42-R59 HydrophobicContact CB-CB 4.17Å; R42-R59 PolarHBondContact N-O 2.94Å; R42-R59 PolarHBondContact O-N 3.08Å |
| 60 | L | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 138.9 | 173.5 | -68.2 | 175 | 0 | 0 | 0 | 109.5 | T36 K37 I38 G39 R41 I43 A57 L96 P176 A182 | T36-L60 HydrophobicContact CG2-CB 4.46Å; T36-L60 HydrophobicContact CG2-CD1 4.22Å; T36-L60 HydrophobicContact CG2-CG 4.19Å; K37-L60 PolarHBondContact O-N 3.1Å; I38-L60 VanDerWaalsContact CA-O 3.3Å; I38-L60 WeakPolarHBondContact CA-O 3.44Å; G39-L60 PolarHBondContact N-O 2.99Å; G39-L60 CarbonylContact O-C 3.52Å; G39-L60 PolarHBondContact O-N 3.48Å; R41-L60 HydrophobicContact CG-CD2 4.04Å; I43-L60 HydrophobicContact CD1-CD2 4.11Å; I43-L60 HydrophobicContact CG1-CD2 4.24Å; A57-L60 HydrophobicContact CB-CD1 3.6Å; A57-L60 HydrophobicContact CB-CD2 4.35Å; A57-L60 HydrophobicContact CB-CG 3.78Å; L60-L96 HydrophobicContact CB-CD1 4.11Å; L60-P176 HydrophobicContact CD1-CB 4.17Å; L60-A182 HydrophobicContact CD1-CB 3.84Å |
| 61 | D | 96.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | trans | -122 | -10.2 | 177.8 | 54.5 | -12.8 | 0 | 0 | 0 | 112.5 | G39 R77 I78 | G39-D61 WeakPolarHBondContact O-CB 3.25Å; G39-D61 PolarHBondContact O-N 3.45Å; D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.37Å; D61-R77 WeakPolarHBondContact O-CG 3.26Å; D61-I78 PolarHBondContact O-N 3.41Å | ||
| 62 | V | 97.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.8 | -179.6 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | T76 | V62-T76 WeakPolarHBondContact CA-O 3.44Å |
| 63 | G | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 162.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K75 T76 A182 | G63-K75 WeakPolarHBondContact O-CA 3.31Å; G63-T76 PolarHBondContact N-O 3.24Å; G63-T76 PolarHBondContact O-N 3.31Å; G63-A182 WeakPolarHBondContact CA-O 3.32Å |
| 64 | N | 97.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 53 Ų | 53 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.6 | 170.8 | -162 | 18.1 | 0 | 0 | 0 | 109.6 | T73 R74 D183 G184 | N64-T73 VanDerWaalsContact ND2-CG2 3.27Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.27Å; N64-R74 VanDerWaalsContact OD1-C 3.23Å; N64-R74 PolarHBondContact OD1-O 3.42Å; N64-D183 HydrophobicContact CB-CB 4.47Å; N64-D183 WeakPolarHBondContact CB-OD1 3.44Å; N64-D183 PolarHBondContact N-OD1 2.85Å; N64-D183 VanDerWaalsContact N-OD1 3.1Å; N64-D183 CarbonylContact O-C 3.58Å; N64-D183 WeakPolarHBondContact O-CA 3.39Å; N64-D183 WeakPolarHBondContact O-CB 3.5Å; N64-G184 PolarHBondContact O-N 3.21Å |
| 65 | F | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.5 | -175.3 | -69.9 | -90.2 | 0 | 0 | 0 | 110.2 | R74 T76 I78 V102 I104 Y109 A170 I172 A182 G184 | F65-R74 PolarHBondContact N-O 3.24Å; F65-R74 PolarHBondContact O-N 2.91Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.41Å; F65-I78 HydrophobicContact CE2-CD1 4.13Å; F65-I78 HydrophobicContact CE2-CG1 3.74Å; F65-I78 HydrophobicContact CZ-CD1 4.07Å; F65-I78 HydrophobicContact CZ-CG1 3.92Å; F65-V102 HydrophobicContact CE1-CG2 3.97Å; F65-V102 HydrophobicContact CZ-CG2 3.95Å; F65-I104 HydrophobicContact CB-CD1 3.8Å; F65-I104 HydrophobicContact CD1-CD1 4.28Å; F65-I104 HydrophobicContact CD1-CG2 4.27Å; F65-I104 HydrophobicContact CD2-CD1 4.29Å; F65-I104 HydrophobicContact CD2-CG2 3.95Å; F65-I104 HydrophobicContact CE1-CG2 3.99Å; F65-I104 HydrophobicContact CE2-CG2 3.64Å; F65-I104 HydrophobicContact CG-CD1 3.89Å; F65-I104 HydrophobicContact CG-CG2 4.24Å; F65-I104 HydrophobicContact CZ-CG2 3.66Å; F65-Y109 WeakPolarHBondContact CB-OH 3.32Å; F65-Y109 PolarHBondContact O-OH 3.19Å; F65-A170 HydrophobicContact CD1-CB 3.62Å; F65-A170 HydrophobicContact CE1-CB 3.79Å; F65-I172 HydrophobicContact CE1-CG1 4.3Å; F65-I172 HydrophobicContact CZ-CG1 4.36Å; F65-A182 WeakPolarHBondContact CZ-O 3.33Å; F65-G184 WeakPolarHBondContact CA-O 3.24Å |
| 66 | S | 96.2 | Very high | 95 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131 | 179.3 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | T73 G184 Y185 V186 | S66-T73 WeakPolarHBondContact CB-OG1 3.26Å; S66-T73 PolarHBondContact OG-OG1 2.98Å; S66-G184 PolarHBondContact N-O 3.21Å; S66-Y185 CarbonylContact O-C 3.14Å; S66-Y185 WeakPolarHBondContact O-CA 3.4Å; S66-Y185 WeakPolarHBondContact O-CB 3.35Å; S66-V186 PolarHBondContact O-N 3.32Å |
| 67 | W | 93.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 108.1 | 165.1 | -172.5 | 5.1 | 0 | 0 | 0 | 108.6 | S69 E70 C71 C72 Y109 I155 F163 V186 E188 | W67-S69 PolarHBondContact NE1-OG 3.37Å; W67-E70 HydrophobicContact CD2-CB 4.2Å; W67-E70 HydrophobicContact CD2-CG 4.04Å; W67-E70 HydrophobicContact CE3-CB 4.31Å; W67-E70 HydrophobicContact CE3-CG 4.19Å; W67-E70 VanDerWaalsContact CH2-CD 3.43Å; W67-E70 HydrophobicContact CH2-CG 4.17Å; W67-E70 WeakPolarHBondContact CH2-OE1 3.45Å; W67-E70 HydrophobicContact CZ2-CG 4Å; W67-E70 VanDerWaalsContact CZ3-CD 3.49Å; W67-E70 HydrophobicContact CZ3-CG 4.27Å; W67-E70 WeakPolarHBondContact CZ3-OE2 3.15Å; W67-C71 WeakPolarHBondContact O-CA 3.38Å; W67-C71 PolarHBondContact O-N 2.92Å; W67-C72 HydrophobicContact CB-CB 4.4Å; W67-C72 PolarHBondContact N-O 3.3Å; W67-C72 PolarHBondContact O-N 2.87Å; W67-C72 VanDerWaalsContact O-N 3.07Å; W67-Y109 HydrophobicContact CB-CD1 4.06Å; W67-Y109 HydrophobicContact CB-CE1 3.97Å; W67-Y109 HydrophobicContact CE3-CD1 4.16Å; W67-Y109 HydrophobicContact CE3-CG 4.44Å; W67-I155 HydrophobicContact CH2-CD1 3.84Å; W67-I155 HydrophobicContact CH2-CG1 4.45Å; W67-I155 HydrophobicContact CZ2-CD1 4.25Å; W67-I155 HydrophobicContact CZ2-CG1 4.39Å; W67-I155 HydrophobicContact CZ2-CG2 4.48Å; W67-F163 HydrophobicContact CE3-CZ 4.28Å; W67-F163 AromaticContact CH2-CE2 3.73Å; W67-F163 HydrophobicContact CH2-CE2 3.73Å; W67-F163 AromaticContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CZ2-CE2 4.07Å; W67-F163 HydrophobicContact CZ2-CZ 4.31Å; W67-F163 HydrophobicContact CZ3-CE2 4.2Å; W67-F163 AromaticContact CZ3-CZ 3.67Å; W67-F163 HydrophobicContact CZ3-CZ 3.67Å; W67-V186 HydrophobicContact CB-CG2 4.42Å; W67-E188 VanDerWaalsContact CD1-CD 3.5Å; W67-E188 VanDerWaalsContact CD1-OE1 3.26Å; W67-E188 PolarHBondContact NE1-OE1 2.91Å |
| 68 | G | 89.9 | Confident | 94.9 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -49.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E70 C71 | G68-E70 VanDerWaalsContact C-N 3.25Å; G68-E70 PolarHBondContact O-N 3.14Å; G68-C71 PolarHBondContact O-N 3.35Å |
| 69 | S | 89 | Confident | 94.8 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.6 | -176.8 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | W67 E188 | W67-S69 PolarHBondContact NE1-OG 3.37Å; S69-E188 WeakPolarHBondContact CB-OE1 3.5Å; S69-E188 WeakPolarHBondContact CB-OE2 3.41Å; S69-E188 PolarHBondContact N-OE2 3.42Å; S69-E188 PolarHBondContact OG-OE1 3.22Å; S69-E188 VanDerWaalsContact OG-OE1 3.06Å |
| 70 | E | 86.6 | Confident | 94.7 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 1.1 | -177.9 | -59.7 | -160.2 | 163.8 | 0 | 0 | 113.8 | W67 G68 C72 Q111 | W67-E70 HydrophobicContact CD2-CB 4.2Å; W67-E70 HydrophobicContact CD2-CG 4.04Å; W67-E70 HydrophobicContact CE3-CB 4.31Å; W67-E70 HydrophobicContact CE3-CG 4.19Å; W67-E70 VanDerWaalsContact CH2-CD 3.43Å; W67-E70 HydrophobicContact CH2-CG 4.17Å; W67-E70 WeakPolarHBondContact CH2-OE1 3.45Å; W67-E70 HydrophobicContact CZ2-CG 4Å; W67-E70 VanDerWaalsContact CZ3-CD 3.49Å; W67-E70 HydrophobicContact CZ3-CG 4.27Å; W67-E70 WeakPolarHBondContact CZ3-OE2 3.15Å; G68-E70 VanDerWaalsContact C-N 3.25Å; G68-E70 PolarHBondContact O-N 3.14Å; E70-C72 HydrophobicContact CB-CB 4.33Å; E70-C72 PolarHBondContact O-N 3.4Å; E70-Q111 PolarHBondContact OE1-NE2 3.1Å; E70-Q111 PolarHBondContact OE2-NE2 3.16Å |
| 71 | C | 90 | Very high | 94.6 | Very high | 117 Ų | 117 | 52 Ų | 52 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.4 | -175 | -161.7 | 0 | 0 | 0 | 0 | 112.1 | W67 G68 | W67-C71 WeakPolarHBondContact O-CA 3.38Å; W67-C71 PolarHBondContact O-N 2.92Å; G68-C71 PolarHBondContact O-N 3.35Å |
| 72 | C | 90.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.5 | -175.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | W67 E70 | W67-C72 HydrophobicContact CB-CB 4.4Å; W67-C72 PolarHBondContact N-O 3.3Å; W67-C72 PolarHBondContact O-N 2.87Å; W67-C72 VanDerWaalsContact O-N 3.07Å; E70-C72 HydrophobicContact CB-CB 4.33Å; E70-C72 PolarHBondContact O-N 3.4Å |
| 73 | T | 94.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.1 | 176.4 | -65 | 0 | 0 | 0 | 0 | 110.3 | N64 S66 | N64-T73 VanDerWaalsContact ND2-CG2 3.27Å; N64-T73 WeakPolarHBondContact ND2-CG2 3.42Å; N64-T73 WeakPolarHBondContact OD1-CG2 3.27Å; S66-T73 WeakPolarHBondContact CB-OG1 3.26Å; S66-T73 PolarHBondContact OG-OG1 2.98Å |
| 74 | R | 95 | Very high | 94 | Very high | 125 Ų | 125 | 55.4 Ų | 55.4 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.9 | -177.5 | -66 | -69.4 | -178.8 | -118 | 7.2 | 111 | N64 F65 T76 P108 Y109 | N64-R74 VanDerWaalsContact OD1-C 3.23Å; N64-R74 PolarHBondContact OD1-O 3.42Å; F65-R74 PolarHBondContact N-O 3.24Å; F65-R74 PolarHBondContact O-N 2.91Å; R74-T76 HydrophobicContact CB-CG2 4.11Å; R74-T76 PolarHBondContact O-N 3.01Å; R74-P108 HydrophobicContact CB-CB 4.02Å; R74-P108 HydrophobicContact CG-CB 4.38Å; R74-P108 WeakPolarHBondContact CG-O 3.5Å; R74-Y109 HydrophobicContact CB-CD1 4.29Å; R74-Y109 HydrophobicContact CB-CE1 3.92Å; R74-Y109 HydrophobicContact CG-CD1 4.08Å; R74-Y109 HydrophobicContact CG-CE1 4.12Å |
| 75 | K | 96.2 | Very high | 93.6 | Very high | 149 Ų | 149 | 55.5 Ų | 55.5 | 65% | 0.648 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116.2 | 167.7 | -177.1 | -175.8 | 175.9 | -169.3 | 0 | 107.9 | G63 | G63-K75 WeakPolarHBondContact O-CA 3.31Å |
| 76 | T | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.7 | -178.8 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | V62 G63 F65 R74 P108 Y109 | V62-T76 WeakPolarHBondContact CA-O 3.44Å; G63-T76 PolarHBondContact N-O 3.24Å; G63-T76 PolarHBondContact O-N 3.31Å; F65-T76 WeakPolarHBondContact CD2-OG1 3.41Å; R74-T76 HydrophobicContact CB-CG2 4.11Å; R74-T76 PolarHBondContact O-N 3.01Å; T76-P108 HydrophobicContact CG2-CB 3.94Å; T76-P108 HydrophobicContact CG2-CG 3.73Å; T76-Y109 HydrophobicContact CG2-CD2 4.18Å; T76-Y109 HydrophobicContact CG2-CE2 3.44Å; T76-Y109 VanDerWaalsContact CG2-CE2 3.44Å |
| 77 | R | 97.2 | Very high | 93 | Very high | 132 Ų | 132 | 62.8 Ų | 62.8 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135 | 176.7 | -170.5 | 176 | 61.9 | 112.3 | -1.6 | 109.5 | D61 I104 D105 | D61-R77 CarbonylContact O-C 3.57Å; D61-R77 WeakPolarHBondContact O-CA 3.37Å; D61-R77 WeakPolarHBondContact O-CG 3.26Å; R77-I104 WeakPolarHBondContact O-CA 3.48Å; R77-D105 HydrophobicContact CB-CB 4.35Å; R77-D105 PolarHBondContact O-N 3.04Å |
| 78 | I | 97.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.2 | 171.7 | -56.9 | 172.1 | 0 | 0 | 0 | 107.3 | I38 D61 F65 L96 V102 A182 | I38-I78 HydrophobicContact CD1-CG2 4.03Å; I38-I78 HydrophobicContact CG1-CG2 4.33Å; D61-I78 PolarHBondContact O-N 3.41Å; F65-I78 HydrophobicContact CE2-CD1 4.13Å; F65-I78 HydrophobicContact CE2-CG1 3.74Å; F65-I78 HydrophobicContact CZ-CD1 4.07Å; F65-I78 HydrophobicContact CZ-CG1 3.92Å; I78-L96 HydrophobicContact CD1-CD1 4.13Å; I78-L96 HydrophobicContact CG2-CD2 4.15Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.26Å; I78-A182 HydrophobicContact CD1-CB 3.59Å |
| 79 | I | 96.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -54.3 | -174.5 | -57.6 | 169.2 | 0 | 0 | 0 | 109.6 | L103 D105 K167 | I79-L103 HydrophobicContact CB-CB 4.31Å; I79-L103 WeakPolarHBondContact CB-O 3.38Å; I79-L103 PolarHBondContact N-O 3.1Å; I79-D105 HydrophobicContact CD1-CB 4.39Å; I79-K167 HydrophobicContact CD1-CB 4.43Å; I79-K167 HydrophobicContact CD1-CD 4.01Å; I79-K167 HydrophobicContact CD1-CG 3.76Å |
| 80 | D | 96.2 | Very high | 93.3 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 164.1 | -177.3 | -146.3 | -5.1 | 0 | 0 | 0 | 113.2 | K94 V102 L103 | D80-K94 VanDerWaalsContact OD1-CD 3.24Å; D80-K94 WeakPolarHBondContact OD1-CD 3.42Å; D80-K94 WeakPolarHBondContact OD1-CE 3.15Å; D80-K94 IonicContact OD1-NZ 3.12Å; D80-K94 PolarHBondContact OD1-NZ 3.16Å; D80-K94 IonicContact OD2-NZ 2.77Å; D80-K94 PolarHBondContact OD2-NZ 3.21Å; D80-V102 CarbonylContact O-C 3.54Å; D80-V102 WeakPolarHBondContact O-CA 3.4Å; D80-V102 WeakPolarHBondContact O-CB 3.31Å; D80-L103 HydrophobicContact CB-CD1 4.46Å; D80-L103 PolarHBondContact N-O 3.19Å; D80-L103 PolarHBondContact O-N 2.84Å |
| 81 | V | 94.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.1 | 168.7 | 179 | 0 | 0 | 0 | 0 | 108.5 | I38 V91 K94 L96 C100 V102 | I38-V81 HydrophobicContact CD1-CG2 4.1Å; V81-V91 HydrophobicContact CG1-CG2 4.35Å; V81-K94 HydrophobicContact CG2-CB 4.43Å; V81-L96 HydrophobicContact CG2-CD2 3.73Å; V81-C100 WeakPolarHBondContact CG1-SG 3.45Å; V81-V102 HydrophobicContact CG2-CG1 4.14Å |
| 82 | V | 94.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 70.6 Ų | 70.6 | 42% | 0.418 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -45 | -176.9 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | V91 I101 L103 L169 | V82-V91 VanDerWaalsContact O-CG1 3.31Å; V82-V91 WeakPolarHBondContact O-CG1 3.34Å; V82-I101 PolarHBondContact N-O 3.06Å; V82-L103 HydrophobicContact CG2-CB 4.5Å; V82-L103 HydrophobicContact CG2-CD1 3.62Å; V82-L103 HydrophobicContact CG2-CD2 4.46Å; V82-L103 HydrophobicContact CG2-CG 3.52Å; V82-L169 HydrophobicContact CG2-CD2 4.18Å |
| 83 | Y | 93.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 72.6 Ų | 72.6 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149 | -173.4 | 175.9 | -106.5 | 0 | 0 | 0 | 112.2 | A85 C100 I101 | Y83-A85 HydrophobicContact CE1-CB 4.1Å; Y83-C100 PolarHBondContact O-SG 3.39Å; Y83-I101 HydrophobicContact CD1-CG1 3.89Å; Y83-I101 PolarHBondContact N-O 3.27Å; Y83-I101 PolarHBondContact O-N 3.21Å |
| 84 | N | 92.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | trans | -146.1 | 118.1 | 175.1 | -171.4 | -36.5 | 0 | 0 | 0 | 109.9 | S86 L90 V91 V97 | N84-S86 PolarHBondContact O-N 3.24Å; N84-S86 PolarHBondContact OD1-N 3.45Å; N84-L90 WeakPolarHBondContact ND2-CB 3.43Å; N84-L90 VanDerWaalsContact ND2-CD1 3.33Å; N84-L90 WeakPolarHBondContact ND2-CD1 3.24Å; N84-V91 HydrophobicContact CB-CG2 3.76Å; N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å | ||
| 85 | A | 89.3 | Confident | 94.3 | Very high | 73 Ų | 73 | 68.1 Ų | 68.1 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -65.5 | -21.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y83 | Y83-A85 HydrophobicContact CE1-CB 4.1Š|
| 86 | S | 90 | Very high | 94.4 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 77% | 0.769 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -89.5 | -37.5 | -175.4 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | N84 | N84-S86 PolarHBondContact O-N 3.24Å; N84-S86 PolarHBondContact OD1-N 3.45Å |
| 87 | N | 90.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 63.1 Ų | 63.1 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | trans | -164 | 127.1 | -175.6 | -173.9 | -11.2 | 0 | 0 | 0 | 111.7 | E89 L90 | N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.24Å; N87-E89 WeakPolarHBondContact OD1-CB 3.49Å; N87-E89 PolarHBondContact OD1-N 3.21Å; N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.14Å; N87-L90 WeakPolarHBondContact O-CB 3.16Å; N87-L90 PolarHBondContact O-N 3.12Å | ||
| 88 | N | 91.8 | Very high | 94.4 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.4 | 178.6 | -67.7 | -4.6 | 0 | 0 | 0 | 113.7 | L90 V91 R92 | N88-L90 PolarHBondContact O-N 3.21Å; N88-V91 WeakPolarHBondContact O-CB 3.47Å; N88-V91 PolarHBondContact O-N 3.42Å; N88-R92 PolarHBondContact O-N 3.42Å |
| 89 | E | 95.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -24.9 | 175.7 | -67.8 | -58.5 | 141.6 | 0 | 0 | 112.5 | N87 V91 R92 T93 | N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.24Å; N87-E89 WeakPolarHBondContact OD1-CB 3.49Å; N87-E89 PolarHBondContact OD1-N 3.21Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.09Å; E89-R92 IonicContact OE1-CZ 3.8Å; E89-R92 IonicContact OE1-NH1 3.68Å; E89-R92 PolarHBondContact OE1-NH1 3.41Å; E89-R92 IonicContact OE2-CZ 2.99Å; E89-R92 IonicContact OE2-NE 3.24Å; E89-R92 IonicContact OE2-NH1 3.5Å; E89-R92 PolarHBondContact OE2-NH1 2.88Å; E89-T93 WeakPolarHBondContact O-CB 3.45Å; E89-T93 WeakPolarHBondContact O-CG2 3.44Å; E89-T93 PolarHBondContact O-N 2.92Å; E89-T93 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-OG1 3.36Å |
| 90 | L | 92.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.3 | -27.3 | 175.3 | -62.8 | 176.9 | 0 | 0 | 0 | 112.2 | N84 N87 N88 K94 T95 V97 | N84-L90 WeakPolarHBondContact ND2-CB 3.43Å; N84-L90 VanDerWaalsContact ND2-CD1 3.33Å; N84-L90 WeakPolarHBondContact ND2-CD1 3.24Å; N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.14Å; N87-L90 WeakPolarHBondContact O-CB 3.16Å; N87-L90 PolarHBondContact O-N 3.12Å; N88-L90 PolarHBondContact O-N 3.21Å; L90-K94 PolarHBondContact O-N 2.84Å; L90-T95 HydrophobicContact CD2-CG2 4.12Å; L90-T95 PolarHBondContact O-N 3.36Å; L90-V97 HydrophobicContact CD1-CG1 4.45Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å |
| 91 | V | 93.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.6 | -52.1 | 173 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | V81 V82 N84 N88 E89 T93 K94 | V81-V91 HydrophobicContact CG1-CG2 4.35Å; V82-V91 VanDerWaalsContact O-CG1 3.31Å; V82-V91 WeakPolarHBondContact O-CG1 3.34Å; N84-V91 HydrophobicContact CB-CG2 3.76Å; N88-V91 WeakPolarHBondContact O-CB 3.47Å; N88-V91 PolarHBondContact O-N 3.42Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.09Å; V91-T93 PolarHBondContact O-N 2.87Å; V91-K94 PolarHBondContact O-N 2.88Å |
| 92 | R | 94.3 | Very high | 94.2 | Very high | 186 Ų | 186 | 62.6 Ų | 62.6 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.1 | -41.4 | 179.3 | -66.2 | 177.5 | 69.8 | -176.6 | 6.6 | 112.3 | N88 E89 K94 | N88-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE1-CZ 3.8Å; E89-R92 IonicContact OE1-NH1 3.68Å; E89-R92 PolarHBondContact OE1-NH1 3.41Å; E89-R92 IonicContact OE2-CZ 2.99Å; E89-R92 IonicContact OE2-NE 3.24Å; E89-R92 IonicContact OE2-NH1 3.5Å; E89-R92 PolarHBondContact OE2-NH1 2.88Å; R92-K94 VanDerWaalsContact C-N 3.34Å |
| 93 | T | 96.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.5 | -178.9 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | K37 E89 V91 T95 | K37-T93 WeakPolarHBondContact CD-O 3.23Å; K37-T93 PolarHBondContact NZ-O 3.37Å; K37-T93 PolarHBondContact NZ-OG1 3.17Å; E89-T93 WeakPolarHBondContact O-CB 3.45Å; E89-T93 WeakPolarHBondContact O-CG2 3.44Å; E89-T93 PolarHBondContact O-N 2.92Å; E89-T93 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-OG1 3.36Å; V91-T93 PolarHBondContact O-N 2.87Å; T93-T95 PolarHBondContact O-N 3.46Å; T93-T95 PolarHBondContact OG1-OG1 2.94Å |
| 94 | K | 96.4 | Very high | 94.5 | Very high | 91 Ų | 91 | 56.2 Ų | 56.2 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 49.3 | 179.5 | -55.1 | -173.8 | 179.1 | -141 | 0 | 113.5 | I38 D80 V81 L90 V91 R92 | I38-K94 HydrophobicContact CD1-CB 4.41Å; D80-K94 VanDerWaalsContact OD1-CD 3.24Å; D80-K94 WeakPolarHBondContact OD1-CD 3.42Å; D80-K94 WeakPolarHBondContact OD1-CE 3.15Å; D80-K94 IonicContact OD1-NZ 3.12Å; D80-K94 PolarHBondContact OD1-NZ 3.16Å; D80-K94 IonicContact OD2-NZ 2.77Å; D80-K94 PolarHBondContact OD2-NZ 3.21Å; V81-K94 HydrophobicContact CG2-CB 4.43Å; L90-K94 PolarHBondContact O-N 2.84Å; V91-K94 PolarHBondContact O-N 2.88Å; R92-K94 VanDerWaalsContact C-N 3.34Å |
| 95 | T | 97.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 125.8 | -178 | -50 | 0 | 0 | 0 | 0 | 111.7 | N35 T36 K37 L90 T93 V97 | N35-T95 HydrophobicContact CB-CG2 4.49Å; T36-T95 CarbonylContact O-C 3.51Å; T36-T95 WeakPolarHBondContact O-CA 3.37Å; K37-T95 PolarHBondContact NZ-OG1 3.05Å; L90-T95 HydrophobicContact CD2-CG2 4.12Å; L90-T95 PolarHBondContact O-N 3.36Å; T93-T95 PolarHBondContact O-N 3.46Å; T93-T95 PolarHBondContact OG1-OG1 2.94Å; T95-V97 HydrophobicContact CG2-CG1 4.17Å; T95-V97 PolarHBondContact O-N 3.01Å |
| 96 | L | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | trans | -85.3 | 112 | 178.1 | -55.6 | 177.6 | 0 | 0 | 0 | 111.1 | T36 I38 L60 I78 V81 V102 I172 P176 A182 | T36-L96 HydrophobicContact CG2-CB 4.38Å; T36-L96 HydrophobicContact CG2-CD1 4.38Å; T36-L96 PolarHBondContact O-N 3.23Å; I38-L96 HydrophobicContact CD1-CD2 4.39Å; I38-L96 HydrophobicContact CG1-CD1 4.29Å; I38-L96 HydrophobicContact CG1-CD2 3.99Å; I38-L96 HydrophobicContact CG1-CG 4.23Å; L60-L96 HydrophobicContact CB-CD1 4.11Å; I78-L96 HydrophobicContact CD1-CD1 4.13Å; I78-L96 HydrophobicContact CG2-CD2 4.15Å; V81-L96 HydrophobicContact CG2-CD2 3.73Å; L96-V102 HydrophobicContact CD2-CG1 4.07Å; L96-I172 HydrophobicContact CB-CD1 4.25Å; L96-I172 HydrophobicContact CD2-CD1 3.92Å; L96-P176 HydrophobicContact CB-CG 4.32Å; L96-A182 HydrophobicContact CD1-CB 4.45Å | ||
| 97 | V | 97.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | trans | -128.5 | 168.4 | 175.2 | -61 | 0 | 0 | 0 | 0 | 111 | N84 L90 T95 C100 | N84-V97 WeakPolarHBondContact ND2-CG2 3.47Å; L90-V97 HydrophobicContact CD1-CG1 4.45Å; L90-V97 HydrophobicContact CD1-CG2 4.43Å; T95-V97 HydrophobicContact CG2-CG1 4.17Å; T95-V97 PolarHBondContact O-N 3.01Å; V97-C100 HydrophobicContact CG2-CB 3.96Å; V97-C100 VanDerWaalsContact O-CB 3.25Å; V97-C100 WeakPolarHBondContact O-CB 3.35Å; V97-C100 PolarHBondContact O-N 3.36Å | ||
| 98 | K | 96.9 | Very high | 94.6 | Very high | 96 Ų | 96 | 52 Ų | 52 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 141.9 | 172.7 | -177.1 | 175.5 | 178.2 | -177.5 | 0 | 109.7 | C100 A173 S174 R175 | K98-C100 PolarHBondContact O-N 2.92Å; K98-A173 WeakPolarHBondContact CD-O 3.42Å; K98-A173 VanDerWaalsContact CE-O 3.24Å; K98-A173 WeakPolarHBondContact CE-O 3.33Å; K98-S174 WeakPolarHBondContact CA-O 3.43Å; K98-S174 VanDerWaalsContact CB-O 3.29Å; K98-S174 WeakPolarHBondContact CB-O 3.43Å; K98-R175 HydrophobicContact CB-CG 3.94Å; K98-R175 HydrophobicContact CD-CG 4.04Å; K98-R175 HydrophobicContact CG-CG 4.47Å |
| 99 | N | 94.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 47 Ų | 47 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 17.3 | -176.8 | -65.1 | 10.7 | 0 | 0 | 0 | 114.5 | I172 | N99-I172 WeakPolarHBondContact CA-O 3.3Å; N99-I172 PolarHBondContact N-O 2.98Å |
| 100 | C | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -74.9 | 138.1 | 171.2 | -151.7 | 0 | 0 | 0 | 0 | 109.5 | V81 Y83 V97 K98 I172 | V81-C100 WeakPolarHBondContact CG1-SG 3.45Å; Y83-C100 PolarHBondContact O-SG 3.39Å; V97-C100 HydrophobicContact CG2-CB 3.96Å; V97-C100 VanDerWaalsContact O-CB 3.25Å; V97-C100 WeakPolarHBondContact O-CB 3.35Å; V97-C100 PolarHBondContact O-N 3.36Å; K98-C100 PolarHBondContact O-N 2.92Å; C100-I172 PolarHBondContact O-N 2.83Å | ||
| 101 | I | 96.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.7 | 173.2 | -52.4 | -49.6 | 0 | 0 | 0 | 108.8 | V82 Y83 L169 A170 C171 L187 | V82-I101 PolarHBondContact N-O 3.06Å; Y83-I101 HydrophobicContact CD1-CG1 3.89Å; Y83-I101 PolarHBondContact N-O 3.27Å; Y83-I101 PolarHBondContact O-N 3.21Å; I101-L169 HydrophobicContact CG2-CD2 4.04Å; I101-A170 CarbonylContact C-O 3.55Å; I101-A170 WeakPolarHBondContact CA-O 3.34Å; I101-C171 HydrophobicContact CD1-CB 3.76Å; I101-L187 HydrophobicContact CD1-CD1 3.96Å; I101-L187 HydrophobicContact CD1-CD2 4.42Å; I101-L187 HydrophobicContact CG2-CD1 3.98Å |
| 102 | V | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.9 | -175.1 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | F65 I78 D80 V81 L96 I104 A170 I172 | F65-V102 HydrophobicContact CE1-CG2 3.97Å; F65-V102 HydrophobicContact CZ-CG2 3.95Å; I78-V102 HydrophobicContact CG2-CB 4.17Å; I78-V102 HydrophobicContact CG2-CG1 4.26Å; D80-V102 CarbonylContact O-C 3.54Å; D80-V102 WeakPolarHBondContact O-CA 3.4Å; D80-V102 WeakPolarHBondContact O-CB 3.31Å; V81-V102 HydrophobicContact CG2-CG1 4.14Å; L96-V102 HydrophobicContact CD2-CG1 4.07Å; V102-I104 HydrophobicContact CG2-CG2 3.96Å; V102-A170 HydrophobicContact CG2-CB 4.26Å; V102-A170 WeakPolarHBondContact CG2-O 3.44Å; V102-A170 PolarHBondContact N-O 3.23Å; V102-A170 PolarHBondContact O-N 3.1Å; V102-I172 HydrophobicContact CG1-CD1 3.8Å; V102-I172 HydrophobicContact CG1-CG1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 4.34Å; V102-I172 HydrophobicContact CG2-CG1 4.01Å |
| 103 | L | 96.8 | Very high | 89 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.4 | 165.1 | -74.9 | 165.2 | 0 | 0 | 0 | 108.9 | I79 D80 V82 K167 L168 L169 | I79-L103 HydrophobicContact CB-CB 4.31Å; I79-L103 WeakPolarHBondContact CB-O 3.38Å; I79-L103 PolarHBondContact N-O 3.1Å; D80-L103 HydrophobicContact CB-CD1 4.46Å; D80-L103 PolarHBondContact N-O 3.19Å; D80-L103 PolarHBondContact O-N 2.84Å; V82-L103 HydrophobicContact CG2-CB 4.5Å; V82-L103 HydrophobicContact CG2-CD1 3.62Å; V82-L103 HydrophobicContact CG2-CD2 4.46Å; V82-L103 HydrophobicContact CG2-CG 3.52Å; L103-K167 HydrophobicContact CD2-CB 4.1Å; L103-L168 WeakPolarHBondContact CA-O 3.14Å; L103-L169 HydrophobicContact CD2-CD2 3.59Å; L103-L169 HydrophobicContact CD2-CG 4.19Å; L103-L169 HydrophobicContact CG-CD2 4.12Å |
| 104 | I | 96.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 157 | 174.7 | 65.1 | 170.1 | 0 | 0 | 0 | 110.5 | F65 R77 V102 Y109 K167 L168 A170 V186 | F65-I104 HydrophobicContact CB-CD1 3.8Å; F65-I104 HydrophobicContact CD1-CD1 4.28Å; F65-I104 HydrophobicContact CD1-CG2 4.27Å; F65-I104 HydrophobicContact CD2-CD1 4.29Å; F65-I104 HydrophobicContact CD2-CG2 3.95Å; F65-I104 HydrophobicContact CE1-CG2 3.99Å; F65-I104 HydrophobicContact CE2-CG2 3.64Å; F65-I104 HydrophobicContact CG-CD1 3.89Å; F65-I104 HydrophobicContact CG-CG2 4.24Å; F65-I104 HydrophobicContact CZ-CG2 3.66Å; R77-I104 WeakPolarHBondContact O-CA 3.48Å; V102-I104 HydrophobicContact CG2-CG2 3.96Å; I104-Y109 HydrophobicContact CD1-CE2 3.78Å; I104-K167 CarbonylContact O-C 3.54Å; I104-K167 VanDerWaalsContact O-CA 3.27Å; I104-K167 WeakPolarHBondContact O-CA 3.33Å; I104-L168 HydrophobicContact CD1-CB 4.38Å; I104-L168 HydrophobicContact CG1-CB 3.88Å; I104-L168 WeakPolarHBondContact CG1-O 3.34Å; I104-L168 PolarHBondContact N-O 3.01Å; I104-L168 PolarHBondContact O-N 3.25Å; I104-A170 HydrophobicContact CD1-CB 3.75Å; I104-A170 HydrophobicContact CG1-CB 4.02Å; I104-A170 HydrophobicContact CG2-CB 4Å; I104-V186 HydrophobicContact CD1-CG2 4.05Å |
| 105 | D | 94.8 | Very high | 87.2 | Confident | 33 Ų | 33 | 36 Ų | 36 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.5 | 173.1 | -167.2 | -14.5 | 0 | 0 | 0 | 111.3 | R77 I79 T107 | R77-D105 HydrophobicContact CB-CB 4.35Å; R77-D105 PolarHBondContact O-N 3.04Å; I79-D105 HydrophobicContact CD1-CB 4.39Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.34Å; D105-T107 PolarHBondContact OD1-N 3.18Å; D105-T107 PolarHBondContact OD1-OG1 3.46Å; D105-T107 PolarHBondContact OD2-OG1 2.88Å |
| 106 | S | 91.8 | Very high | 86.3 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -84.5 | -20.4 | 179.5 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | P108 Y109 G166 | S106-P108 VanDerWaalsContact C-CD 3.4Å; S106-P108 VanDerWaalsContact C-N 3.34Å; S106-Y109 PolarHBondContact O-N 3.26Å; S106-Y109 VanDerWaalsContact O-N 3.07Å; S106-G166 PolarHBondContact N-O 2.74Å; S106-G166 VanDerWaalsContact OG-CA 3.24Å; S106-G166 WeakPolarHBondContact OG-CA 3.44Å; S106-G166 PolarHBondContact OG-O 3.18Å |
| 107 | T | 88 | Confident | 85.3 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 56% | 0.558 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -54.1 | -38.6 | -171.8 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | D105 Y109 W110 | D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.34Å; D105-T107 PolarHBondContact OD1-N 3.18Å; D105-T107 PolarHBondContact OD1-OG1 3.46Å; D105-T107 PolarHBondContact OD2-OG1 2.88Å; T107-Y109 VanDerWaalsContact C-N 3.25Å; T107-Y109 PolarHBondContact O-N 2.88Å; T107-W110 VanDerWaalsContact O-CB 3.23Å; T107-W110 WeakPolarHBondContact O-CB 3.42Å; T107-W110 PolarHBondContact O-N 3.07Å |
| 108 | P | 88.7 | Confident | 84.3 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 28% | 0.279 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -73.6 | -15.3 | -176.9 | -20.8 | 38.6 | 0 | 0 | 0 | 114.1 | R74 T76 S106 | R74-P108 HydrophobicContact CB-CB 4.02Å; R74-P108 HydrophobicContact CG-CB 4.38Å; R74-P108 WeakPolarHBondContact CG-O 3.5Å; T76-P108 HydrophobicContact CG2-CB 3.94Å; T76-P108 HydrophobicContact CG2-CG 3.73Å; S106-P108 VanDerWaalsContact C-CD 3.4Å; S106-P108 VanDerWaalsContact C-N 3.34Å |
| 109 | Y | 82.4 | Confident | 83 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -83.2 | 0.3 | 175.6 | -63.8 | -75.1 | 0 | 0 | 0 | 112.9 | F65 W67 R74 T76 I104 S106 T107 Q111 L168 V186 | F65-Y109 WeakPolarHBondContact CB-OH 3.32Å; F65-Y109 PolarHBondContact O-OH 3.19Å; W67-Y109 HydrophobicContact CB-CD1 4.06Å; W67-Y109 HydrophobicContact CB-CE1 3.97Å; W67-Y109 HydrophobicContact CE3-CD1 4.16Å; W67-Y109 HydrophobicContact CE3-CG 4.44Å; R74-Y109 HydrophobicContact CB-CD1 4.29Å; R74-Y109 HydrophobicContact CB-CE1 3.92Å; R74-Y109 HydrophobicContact CG-CD1 4.08Å; R74-Y109 HydrophobicContact CG-CE1 4.12Å; T76-Y109 HydrophobicContact CG2-CD2 4.18Å; T76-Y109 HydrophobicContact CG2-CE2 3.44Å; T76-Y109 VanDerWaalsContact CG2-CE2 3.44Å; I104-Y109 HydrophobicContact CD1-CE2 3.78Å; S106-Y109 PolarHBondContact O-N 3.26Å; S106-Y109 VanDerWaalsContact O-N 3.07Å; T107-Y109 VanDerWaalsContact C-N 3.25Å; T107-Y109 PolarHBondContact O-N 2.88Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Y109-L168 HydrophobicContact CD2-CD1 3.6Å; Y109-L168 HydrophobicContact CE2-CD1 3.95Å; Y109-L168 HydrophobicContact CG-CD1 4.29Å; Y109-V186 HydrophobicContact CE2-CG2 4.33Å |
| 110 | W | 65.4 | Low | 81.8 | Confident | 68 Ų | 68 | 36 Ų | 36 | 26% | 0.258 | 20% | 0.197 | S | C | . | . | trans | -54.7 | 124.3 | 177.6 | -179.5 | -109.2 | 0 | 0 | 0 | 112.5 | T107 S112 P117 L118 L134 | T107-W110 VanDerWaalsContact O-CB 3.23Å; T107-W110 WeakPolarHBondContact O-CB 3.42Å; T107-W110 PolarHBondContact O-N 3.07Å; W110-S112 PolarHBondContact O-N 3.08Å; W110-P117 HydrophobicContact CH2-CB 4.28Å; W110-L118 HydrophobicContact CE3-CB 4.28Å; W110-L118 HydrophobicContact CZ3-CB 3.86Å; W110-L118 VanDerWaalsContact CZ3-O 3.28Å; W110-L118 WeakPolarHBondContact CZ3-O 3.39Å; W110-L134 HydrophobicContact CZ2-CD1 3.93Å | ||
| 111 | Q | 63.5 | Low | 80.8 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | trans | -88.9 | 89.1 | -169.3 | -71 | 163.2 | 9.1 | 0 | 0 | 112.2 | E70 Y109 H113 Y114 | E70-Q111 PolarHBondContact OE1-NE2 3.1Å; E70-Q111 PolarHBondContact OE2-NE2 3.16Å; Y109-Q111 PolarHBondContact O-N 3.39Å; Q111-H113 HydrophobicContact CB-CB 4.47Å; Q111-H113 PolarHBondContact O-N 2.89Å; Q111-H113 VanDerWaalsContact O-N 3.08Å; Q111-Y114 HydrophobicContact CB-CD2 3.98Å; Q111-Y114 HydrophobicContact CG-CD2 3.88Å; Q111-Y114 HydrophobicContact CG-CE2 4.32Å | ||
| 112 | S | 63.1 | Low | 79.6 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -15.8 | 150.7 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | W110 Y146 | W110-S112 PolarHBondContact O-N 3.08Å; S112-Y146 PolarHBondContact O-OH 3.47Å |
| 113 | H | 76.1 | Confident | 78.2 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -36.6 | -174 | -171.7 | -101 | 0 | 0 | 0 | 114.8 | Q111 Y146 R149 | Q111-H113 HydrophobicContact CB-CB 4.47Å; Q111-H113 PolarHBondContact O-N 2.89Å; Q111-H113 VanDerWaalsContact O-N 3.08Å; H113-Y146 WeakPolarHBondContact O-CD1 3.47Å; H113-Y146 WeakPolarHBondContact O-CE1 3.35Å; H113-R149 PolarHBondContact NE2-NE 3.49Å; H113-R149 PolarHBondContact NE2-NH2 2.68Å; H113-R149 PolarHBondContact O-NH1 2.85Å; H113-R149 VanDerWaalsContact O-NH1 3.13Å |
| 114 | Y | 77.6 | Confident | 77.1 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 14% | 0.137 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -12.3 | -176.4 | -64.1 | -86.6 | 0 | 0 | 0 | 113.5 | Q111 L116 R149 K150 A153 | Q111-Y114 HydrophobicContact CB-CD2 3.98Å; Q111-Y114 HydrophobicContact CG-CD2 3.88Å; Q111-Y114 HydrophobicContact CG-CE2 4.32Å; Y114-L116 PolarHBondContact O-N 3.48Å; Y114-R149 HydrophobicContact CD1-CB 3.93Å; Y114-R149 HydrophobicContact CE1-CB 4.19Å; Y114-K150 VanDerWaalsContact O-CE 3.26Å; Y114-K150 WeakPolarHBondContact O-CE 3.45Å; Y114-A153 HydrophobicContact CD1-CB 3.54Å; Y114-A153 HydrophobicContact CE1-CB 4Å; Y114-A153 HydrophobicContact CG-CB 4.07Å |
| 115 | A | 78 | Confident | 75.9 | Confident | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 45.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L134 Y146 | A115-L134 WeakPolarHBondContact O-CD2 3.41Å; A115-Y146 HydrophobicContact CB-CD1 3.79Å; A115-Y146 HydrophobicContact CB-CE1 3.91Å |
| 116 | L | 77.4 | Confident | 74.6 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | trans | -125 | 141.4 | 174.4 | -71.8 | 174.5 | 0 | 0 | 0 | 108.5 | Y114 L118 K150 A153 | Y114-L116 PolarHBondContact O-N 3.48Å; L116-L118 PolarHBondContact O-N 2.98Å; L116-K150 HydrophobicContact CD1-CG 4.06Å; L116-K150 HydrophobicContact CD2-CD 4.17Å; L116-K150 HydrophobicContact CD2-CG 4.39Å; L116-K150 HydrophobicContact CG-CD 4.39Å; L116-K150 HydrophobicContact CG-CG 4.13Å; L116-A153 HydrophobicContact CD1-CB 3.73Å | ||
| 117 | P | 76.1 | Confident | 73.7 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | trans | -74 | 125.2 | 173.7 | 30.2 | -30.8 | 0 | 0 | 0 | 109.7 | W110 L134 | W110-P117 HydrophobicContact CH2-CB 4.28Å; P117-L134 HydrophobicContact CB-CD1 4.35Å | ||
| 118 | L | 75.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | trans | -107 | 146.7 | 177.6 | -168.7 | 62.9 | 0 | 0 | 0 | 111.4 | W110 L116 R120 I155 F163 | W110-L118 HydrophobicContact CE3-CB 4.28Å; W110-L118 HydrophobicContact CZ3-CB 3.86Å; W110-L118 VanDerWaalsContact CZ3-O 3.28Å; W110-L118 WeakPolarHBondContact CZ3-O 3.39Å; L116-L118 PolarHBondContact O-N 2.98Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.17Å; L118-I155 HydrophobicContact CD1-CD1 3.64Å; L118-I155 HydrophobicContact CD2-CD1 3.82Å; L118-I155 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CD2-CB 4.42Å; L118-F163 HydrophobicContact CD2-CD1 3.85Å; L118-F163 HydrophobicContact CD2-CD2 3.68Å; L118-F163 HydrophobicContact CD2-CE1 3.97Å; L118-F163 HydrophobicContact CD2-CE2 3.82Å; L118-F163 HydrophobicContact CD2-CG 3.72Å; L118-F163 HydrophobicContact CD2-CZ 3.96Å; L118-F163 HydrophobicContact CG-CB 4.18Å; L118-F163 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CG-CD2 4.22Å; L118-F163 HydrophobicContact CG-CG 4.03Å | ||
| 119 | G | 69.3 | Low | 72.3 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 18% | 0.175 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 61.8 | 33.2 | 169 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q164 | G119-Q164 WeakPolarHBondContact O-CA 3.19Š|
| 120 | R | 71.5 | Confident | 71.7 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 23% | 0.234 | 42% | 0.422 | C | S | . | . | trans | -106.3 | 141.5 | 176.5 | -62.6 | -167.8 | -165.1 | -136 | -0.5 | 112 | L118 K122 L126 E130 | L118-R120 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.17Å; R120-K122 PolarHBondContact O-N 2.64Å; R120-L126 VanDerWaalsContact NH1-CA 3.31Å; R120-L126 VanDerWaalsContact NH1-CG 3.28Å; R120-E130 IonicContact CZ-OE1 3.42Å; R120-E130 IonicContact CZ-OE2 3.94Å; R120-E130 IonicContact NH1-OE2 3.89Å; R120-E130 PolarHBondContact NH1-OE2 3.48Å; R120-E130 IonicContact NH2-OE1 2.88Å; R120-E130 PolarHBondContact NH2-OE1 3.09Å; R120-E130 IonicContact NH2-OE2 3.94Å; R120-E130 PolarHBondContact NH2-OE2 3.26Å | ||
| 121 | K | 71.8 | Confident | 72.1 | Confident | 160 Ų | 160 | 79.3 Ų | 79.3 | 70% | 0.696 | 43% | 0.428 | S | S | * | . | trans | -64.9 | 131 | 167.4 | -165.5 | 175.8 | -178.5 | -179.2 | 0 | 108.8 | G123 A124 | K121-G123 PolarHBondContact O-N 2.88Å; K121-G123 VanDerWaalsContact O-N 3.16Å; K121-A124 WeakPolarHBondContact O-CB 3.43Å; K121-A124 PolarHBondContact O-N 2.67Å; K121-A124 VanDerWaalsContact O-N 3.1Å | ||
| 122 | K | 70.4 | Confident | 72.6 | Confident | 213 Ų | 213 | 85.8 Ų | 85.8 | 93% | 0.926 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 121.5 | 176 | -69.3 | 179.7 | 179.7 | 177.7 | 0 | 109.6 | R120 | R120-K122 PolarHBondContact O-N 2.64Š|
| 123 | G | 66.3 | Low | 73.1 | Confident | 85 Ų | 85 | 86 Ų | 86 | 88% | 0.876 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -1.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | K121 | K121-G123 PolarHBondContact O-N 2.88Å; K121-G123 VanDerWaalsContact O-N 3.16Å |
| 124 | A | 75.3 | Confident | 73 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 49% | 0.488 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 131.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | K121 | K121-A124 WeakPolarHBondContact O-CB 3.43Å; K121-A124 PolarHBondContact O-N 2.67Å; K121-A124 VanDerWaalsContact O-N 3.1Å |
| 125 | K | 69.9 | Low | 72.9 | Confident | 197 Ų | 197 | 87.4 Ų | 87.4 | 86% | 0.857 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 143.5 | 174.5 | -67.5 | -175.5 | 177.8 | -178.2 | 0 | 110.1 | ||
| 126 | L | 67.8 | Low | 73.1 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 27% | 0.272 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -75 | 150.6 | 173.6 | -65.4 | 101.5 | 0 | 0 | 0 | 110.2 | R120 E130 E131 L134 | R120-L126 VanDerWaalsContact NH1-CA 3.31Å; R120-L126 VanDerWaalsContact NH1-CG 3.28Å; L126-E130 HydrophobicContact CD2-CB 4.35Å; L126-E131 HydrophobicContact CB-CB 4.15Å; L126-E131 HydrophobicContact CB-CG 3.62Å; L126-E131 WeakPolarHBondContact CB-OE1 3.47Å; L126-E131 HydrophobicContact CD1-CG 4.04Å; L126-E131 HydrophobicContact CD2-CG 4.37Å; L126-E131 HydrophobicContact CG-CG 4.2Å; L126-L134 HydrophobicContact CD2-CD1 3.76Å |
| 127 | T | 73.7 | Confident | 73.4 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 151 | 166.8 | 62.5 | 0 | 0 | 0 | 0 | 108.9 | E129 E130 E131 | T127-E129 PolarHBondContact O-N 3.11Å; T127-E130 PolarHBondContact N-OE2 2.87Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.09Å; T127-E130 WeakPolarHBondContact OG1-CG 3.4Å; T127-E130 PolarHBondContact OG1-OE2 3.19Å; T127-E131 PolarHBondContact O-N 3.47Å |
| 128 | P | 74.7 | Confident | 73.9 | Confident | 104 Ų | 104 | 100 Ų | 100 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55 | -39.7 | -176.3 | -24.2 | 32.5 | 0 | 0 | 0 | 113 | E130 E131 E132 | P128-E130 PolarHBondContact O-N 3.1Å; P128-E131 PolarHBondContact O-N 3.28Å; P128-E132 WeakPolarHBondContact O-CB 3.33Å; P128-E132 PolarHBondContact O-N 3.23Å |
| 129 | E | 72.9 | Confident | 74.7 | Confident | 151 Ų | 151 | 102 Ų | 102 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 179.8 | -61.5 | -178.9 | 178.6 | 0 | 0 | 112.3 | T127 I133 | T127-E129 PolarHBondContact O-N 3.11Å; E129-I133 WeakPolarHBondContact O-CD1 3.39Å; E129-I133 VanDerWaalsContact O-CG1 3.25Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 2.96Å |
| 130 | E | 70.1 | Confident | 75.8 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 25% | 0.248 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -75.6 | -36.6 | -179.3 | -64 | 168.5 | 131.5 | 0 | 0 | 111.7 | R120 L126 T127 P128 E132 I133 L134 | R120-E130 IonicContact CZ-OE1 3.42Å; R120-E130 IonicContact CZ-OE2 3.94Å; R120-E130 IonicContact NH1-OE2 3.89Å; R120-E130 PolarHBondContact NH1-OE2 3.48Å; R120-E130 IonicContact NH2-OE1 2.88Å; R120-E130 PolarHBondContact NH2-OE1 3.09Å; R120-E130 IonicContact NH2-OE2 3.94Å; R120-E130 PolarHBondContact NH2-OE2 3.26Å; L126-E130 HydrophobicContact CD2-CB 4.35Å; T127-E130 PolarHBondContact N-OE2 2.87Å; T127-E130 PolarHBondContact O-N 3.37Å; T127-E130 VanDerWaalsContact O-N 3.09Å; T127-E130 WeakPolarHBondContact OG1-CG 3.4Å; T127-E130 PolarHBondContact OG1-OE2 3.19Å; P128-E130 PolarHBondContact O-N 3.1Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E130-I133 PolarHBondContact O-N 3.2Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 WeakPolarHBondContact O-CD1 3.37Å; E130-L134 PolarHBondContact O-N 3.45Å |
| 131 | E | 72.4 | Confident | 76.9 | Confident | 79 Ų | 79 | 116.6 Ų | 116.6 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.4 | -43 | 173.7 | -118.9 | 164.1 | -143.9 | 0 | 0 | 111.2 | L126 T127 P128 L134 N135 | L126-E131 HydrophobicContact CB-CB 4.15Å; L126-E131 HydrophobicContact CB-CG 3.62Å; L126-E131 WeakPolarHBondContact CB-OE1 3.47Å; L126-E131 HydrophobicContact CD1-CG 4.04Å; L126-E131 HydrophobicContact CD2-CG 4.37Å; L126-E131 HydrophobicContact CG-CG 4.2Å; T127-E131 PolarHBondContact O-N 3.47Å; P128-E131 PolarHBondContact O-N 3.28Å; E131-L134 PolarHBondContact O-N 3.39Å; E131-N135 VanDerWaalsContact O-CB 3.29Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 PolarHBondContact O-N 2.97Å |
| 132 | E | 73.9 | Confident | 77.7 | Confident | 150 Ų | 150 | 112.6 Ų | 112.6 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64 | -43.3 | 177.3 | -165.2 | -174.8 | 166 | 0 | 0 | 111.7 | P128 E130 K136 | P128-E132 WeakPolarHBondContact O-CB 3.33Å; P128-E132 PolarHBondContact O-N 3.23Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E132-K136 WeakPolarHBondContact O-CA 3.37Å; E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å |
| 133 | I | 74.4 | Confident | 78.6 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 38% | 0.379 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.7 | -66.7 | 164.5 | 0 | 0 | 0 | 111.3 | E129 E130 R138 | E129-I133 WeakPolarHBondContact O-CD1 3.39Å; E129-I133 VanDerWaalsContact O-CG1 3.25Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 2.96Å; E130-I133 PolarHBondContact O-N 3.2Å; I133-R138 PolarHBondContact O-NH2 3.07Å |
| 134 | L | 74 | Confident | 79.9 | Confident | 24 Ų | 24 | 108 Ų | 108 | 13% | 0.126 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.4 | -49.3 | -179.8 | -99.3 | 131.3 | 0 | 0 | 0 | 111.9 | W110 A115 P117 L126 E130 E131 K136 R138 | W110-L134 HydrophobicContact CZ2-CD1 3.93Å; A115-L134 WeakPolarHBondContact O-CD2 3.41Å; P117-L134 HydrophobicContact CB-CD1 4.35Å; L126-L134 HydrophobicContact CD2-CD1 3.76Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 WeakPolarHBondContact O-CD1 3.37Å; E130-L134 PolarHBondContact O-N 3.45Å; E131-L134 PolarHBondContact O-N 3.39Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.47Å; L134-R138 PolarHBondContact O-NH1 3.49Å |
| 135 | N | 75.6 | Confident | 80.6 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 65% | 0.647 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -91.5 | 9.8 | -173 | -63.3 | -31.8 | 0 | 0 | 0 | 113.8 | E131 K137 | E131-N135 VanDerWaalsContact O-CB 3.29Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 PolarHBondContact O-N 2.97Å; N135-K137 PolarHBondContact O-N 3.01Å; N135-K137 VanDerWaalsContact O-N 3.14Å |
| 136 | K | 82.4 | Confident | 81.5 | Confident | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | trans | -50.1 | 123.2 | 175 | -169.5 | 165.9 | -174.9 | 165.2 | 0 | 110.7 | E132 L134 R138 | E132-K136 WeakPolarHBondContact O-CA 3.37Å; E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.47Å; K136-R138 WeakPolarHBondContact O-CG 3.29Å; K136-R138 PolarHBondContact O-N 3.09Å; K136-R138 PolarHBondContact O-NH1 3.24Å | ||
| 137 | K | 84.2 | Confident | 82.5 | Confident | 208 Ų | 208 | 103.7 Ų | 103.7 | 90% | 0.904 | 50% | 0.496 | S | S | * | . | trans | -59.4 | 121 | 172 | -70.7 | -177.1 | -178.7 | 176.4 | 0 | 108.6 | N135 | N135-K137 PolarHBondContact O-N 3.01Å; N135-K137 VanDerWaalsContact O-N 3.14Å | ||
| 138 | R | 85.5 | Confident | 83.3 | Confident | 60 Ų | 60 | 105.3 Ų | 105.3 | 23% | 0.226 | 50% | 0.499 | C | S | . | . | trans | -116.6 | 151 | -177.6 | -72.6 | 165.5 | -175.7 | 105.8 | -2.1 | 109.7 | I133 L134 K136 I142 | I133-R138 PolarHBondContact O-NH2 3.07Å; L134-R138 PolarHBondContact O-NH1 3.49Å; K136-R138 WeakPolarHBondContact O-CG 3.29Å; K136-R138 PolarHBondContact O-N 3.09Å; K136-R138 PolarHBondContact O-NH1 3.24Å; R138-I142 HydrophobicContact CB-CB 4.24Å; R138-I142 HydrophobicContact CB-CG2 3.94Å; R138-I142 HydrophobicContact CG-CG2 3.95Å | ||
| 139 | S | 93 | Very high | 84 | Confident | 65 Ų | 65 | 103.3 Ų | 103.3 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -65.7 | 155 | 173.2 | 70 | 0 | 0 | 0 | 0 | 110.9 | K141 I142 Q143 | S139-K141 PolarHBondContact O-N 2.96Å; S139-K141 VanDerWaalsContact O-N 3.17Å; S139-I142 PolarHBondContact O-N 3.35Å; S139-I142 WeakPolarHBondContact OG-CD1 3.38Å; S139-I142 WeakPolarHBondContact OG-CG1 3.2Å; S139-Q143 PolarHBondContact O-N 2.76Å | ||
| 140 | K | 92.6 | Very high | 84.6 | Confident | 197 Ų | 197 | 99.6 Ų | 99.6 | 86% | 0.857 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -53.5 | -39.5 | -177.5 | -64.6 | -177.9 | -179.8 | 179.5 | 0 | 113.2 | Q143 K144 | K140-Q143 PolarHBondContact O-N 3.4Å; K140-K144 PolarHBondContact O-N 3.04Å; K140-K144 VanDerWaalsContact O-N 3.1Å |
| 141 | K | 93.7 | Very high | 85.4 | Confident | 188 Ų | 188 | 104.9 Ų | 104.9 | 82% | 0.817 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 176.5 | -69.9 | -176.4 | 178.3 | -179.8 | 0 | 112.3 | S139 K145 | S139-K141 PolarHBondContact O-N 2.96Å; S139-K141 VanDerWaalsContact O-N 3.17Å; K141-K145 PolarHBondContact O-N 2.95Å |
| 142 | I | 89.8 | Confident | 86 | Confident | 76 Ų | 76 | 107.5 Ų | 107.5 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 178.9 | -66.8 | 173.8 | 0 | 0 | 0 | 110.1 | R138 S139 K144 K145 Y146 | R138-I142 HydrophobicContact CB-CB 4.24Å; R138-I142 HydrophobicContact CB-CG2 3.94Å; R138-I142 HydrophobicContact CG-CG2 3.95Å; S139-I142 PolarHBondContact O-N 3.35Å; S139-I142 WeakPolarHBondContact OG-CD1 3.38Å; S139-I142 WeakPolarHBondContact OG-CG1 3.2Å; I142-K144 PolarHBondContact O-N 2.99Å; I142-K145 WeakPolarHBondContact O-CB 3.34Å; I142-K145 PolarHBondContact O-N 2.98Å; I142-K145 VanDerWaalsContact O-N 3.16Å; I142-Y146 HydrophobicContact CG2-CD2 3.75Å; I142-Y146 HydrophobicContact CG2-CE2 3.55Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.17Å; I142-Y146 PolarHBondContact O-N 3.34Å; I142-Y146 VanDerWaalsContact O-N 3.1Å |
| 143 | Q | 89 | Confident | 86.5 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 177.9 | -170.1 | 58 | 40.2 | 0 | 0 | 111.3 | S139 K140 K145 Y146 D147 | S139-Q143 PolarHBondContact O-N 2.76Å; K140-Q143 PolarHBondContact O-N 3.4Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.82Å; Q143-Y146 PolarHBondContact O-N 2.79Å; Q143-D147 PolarHBondContact NE2-OD1 2.87Å; Q143-D147 VanDerWaalsContact O-CG 3.23Å; Q143-D147 PolarHBondContact O-N 3.09Å |
| 144 | K | 92.3 | Very high | 87 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.8 | -42.7 | 175 | -173.6 | 178.1 | 177.8 | -178.2 | 0 | 112.5 | K140 I142 Y146 D147 E148 | K140-K144 PolarHBondContact O-N 3.04Å; K140-K144 VanDerWaalsContact O-N 3.1Å; I142-K144 PolarHBondContact O-N 2.99Å; K144-Y146 PolarHBondContact O-N 3.42Å; K144-D147 PolarHBondContact O-N 3.26Å; K144-E148 VanDerWaalsContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CG 2.96Å; K144-E148 PolarHBondContact O-N 3.01Å |
| 145 | K | 91.3 | Very high | 87.5 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 176.4 | -173.3 | -176 | -173.1 | -177.3 | 0 | 112.7 | K141 I142 Q143 R149 | K141-K145 PolarHBondContact O-N 2.95Å; I142-K145 WeakPolarHBondContact O-CB 3.34Å; I142-K145 PolarHBondContact O-N 2.98Å; I142-K145 VanDerWaalsContact O-N 3.16Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.82Å; K145-R149 WeakPolarHBondContact O-CG 3.25Å; K145-R149 PolarHBondContact O-N 3.38Å |
| 146 | Y | 88 | Confident | 88.1 | Confident | 39 Ų | 39 | 104.4 Ų | 104.4 | 15% | 0.153 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 175.6 | -82.3 | -81 | 0 | 0 | 0 | 111.6 | S112 H113 A115 I142 Q143 K144 E148 R149 K150 | S112-Y146 PolarHBondContact O-OH 3.47Å; H113-Y146 WeakPolarHBondContact O-CD1 3.47Å; H113-Y146 WeakPolarHBondContact O-CE1 3.35Å; A115-Y146 HydrophobicContact CB-CD1 3.79Å; A115-Y146 HydrophobicContact CB-CE1 3.91Å; I142-Y146 HydrophobicContact CG2-CD2 3.75Å; I142-Y146 HydrophobicContact CG2-CE2 3.55Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.17Å; I142-Y146 PolarHBondContact O-N 3.34Å; I142-Y146 VanDerWaalsContact O-N 3.1Å; Q143-Y146 PolarHBondContact O-N 2.79Å; K144-Y146 PolarHBondContact O-N 3.42Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 2.92Å; Y146-R149 PolarHBondContact O-N 3.25Å; Y146-R149 VanDerWaalsContact O-N 3.11Å; Y146-K150 VanDerWaalsContact O-CG 3.31Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.18Å |
| 147 | D | 88.6 | Confident | 88.3 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -36 | 178.5 | -60 | -27.4 | 0 | 0 | 0 | 111.4 | Q143 K144 | Q143-D147 PolarHBondContact NE2-OD1 2.87Å; Q143-D147 VanDerWaalsContact O-CG 3.23Å; Q143-D147 PolarHBondContact O-N 3.09Å; K144-D147 PolarHBondContact O-N 3.26Å |
| 148 | E | 91.6 | Very high | 88.5 | Confident | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 170.8 | -74.8 | 169.8 | -171.8 | 0 | 0 | 112.5 | K144 Y146 K151 | K144-E148 VanDerWaalsContact CE-OE1 3.32Å; K144-E148 WeakPolarHBondContact CE-OE1 3.33Å; K144-E148 WeakPolarHBondContact O-CG 2.96Å; K144-E148 PolarHBondContact O-N 3.01Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 2.92Å; E148-K151 WeakPolarHBondContact O-CB 3.36Å; E148-K151 PolarHBondContact O-N 3.41Å |
| 149 | R | 88.5 | Confident | 88.6 | Confident | 61 Ų | 61 | 91.4 Ų | 91.4 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.5 | -71.9 | 169.6 | 177.3 | -175.9 | -9.3 | 113 | H113 Y114 K145 Y146 K151 N152 A153 | H113-R149 PolarHBondContact NE2-NE 3.49Å; H113-R149 PolarHBondContact NE2-NH2 2.68Å; H113-R149 PolarHBondContact O-NH1 2.85Å; H113-R149 VanDerWaalsContact O-NH1 3.13Å; Y114-R149 HydrophobicContact CD1-CB 3.93Å; Y114-R149 HydrophobicContact CE1-CB 4.19Å; K145-R149 WeakPolarHBondContact O-CG 3.25Å; K145-R149 PolarHBondContact O-N 3.38Å; Y146-R149 PolarHBondContact O-N 3.25Å; Y146-R149 VanDerWaalsContact O-N 3.11Å; R149-K151 PolarHBondContact O-N 3.04Å; R149-N152 PolarHBondContact O-N 2.84Å; R149-N152 VanDerWaalsContact O-N 3.09Å; R149-A153 PolarHBondContact O-N 3.23Å |
| 150 | K | 85.5 | Confident | 88.3 | Confident | 74 Ų | 74 | 93.3 Ų | 93.3 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -29.3 | -179 | -78.3 | 178 | 178.9 | -177 | 0 | 112.7 | Y114 L116 Y146 N152 A153 | Y114-K150 VanDerWaalsContact O-CE 3.26Å; Y114-K150 WeakPolarHBondContact O-CE 3.45Å; L116-K150 HydrophobicContact CD1-CG 4.06Å; L116-K150 HydrophobicContact CD2-CD 4.17Å; L116-K150 HydrophobicContact CD2-CG 4.39Å; L116-K150 HydrophobicContact CG-CD 4.39Å; L116-K150 HydrophobicContact CG-CG 4.13Å; Y146-K150 VanDerWaalsContact O-CG 3.31Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.18Å; K150-N152 PolarHBondContact O-N 3.13Å; K150-A153 WeakPolarHBondContact O-CB 3.42Å; K150-A153 PolarHBondContact O-N 2.9Å |
| 151 | K | 88.1 | Confident | 88 | Confident | 163 Ų | 163 | 89.1 Ų | 89.1 | 71% | 0.709 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33 | 176.7 | -63.2 | 177.9 | -176.8 | 179.4 | 0 | 112.8 | E148 R149 | E148-K151 WeakPolarHBondContact O-CB 3.36Å; E148-K151 PolarHBondContact O-N 3.41Å; R149-K151 PolarHBondContact O-N 3.04Å |
| 152 | N | 84.9 | Confident | 87.9 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.4 | -177.7 | -62.8 | -16 | 0 | 0 | 0 | 112.8 | R149 K150 K154 | R149-N152 PolarHBondContact O-N 2.84Å; R149-N152 VanDerWaalsContact O-N 3.09Å; K150-N152 PolarHBondContact O-N 3.13Å; N152-K154 PolarHBondContact O-N 3.28Å |
| 153 | A | 83.9 | Confident | 87.8 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -82.1 | 13.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y114 L116 R149 K150 I155 | Y114-A153 HydrophobicContact CD1-CB 3.54Å; Y114-A153 HydrophobicContact CE1-CB 4Å; Y114-A153 HydrophobicContact CG-CB 4.07Å; L116-A153 HydrophobicContact CD1-CB 3.73Å; R149-A153 PolarHBondContact O-N 3.23Å; K150-A153 WeakPolarHBondContact O-CB 3.42Å; K150-A153 PolarHBondContact O-N 2.9Å; A153-I155 PolarHBondContact O-N 2.87Å | ||
| 154 | K | 84.6 | Confident | 87.8 | Confident | 200 Ų | 200 | 80.1 Ų | 80.1 | 87% | 0.87 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -78 | 119.9 | -176.2 | -170.9 | 175.2 | -178.5 | 178.5 | 0 | 110.2 | N152 | N152-K154 PolarHBondContact O-N 3.28Š|
| 155 | I | 85.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 158.2 | 176.8 | -63.5 | 160.2 | 0 | 0 | 0 | 109.5 | W67 L118 A153 L159 | W67-I155 HydrophobicContact CH2-CD1 3.84Å; W67-I155 HydrophobicContact CH2-CG1 4.45Å; W67-I155 HydrophobicContact CZ2-CD1 4.25Å; W67-I155 HydrophobicContact CZ2-CG1 4.39Å; W67-I155 HydrophobicContact CZ2-CG2 4.48Å; L118-I155 HydrophobicContact CD1-CD1 3.64Å; L118-I155 HydrophobicContact CD2-CD1 3.82Å; L118-I155 HydrophobicContact CG-CD1 4.41Å; A153-I155 PolarHBondContact O-N 2.87Å; I155-L159 HydrophobicContact CG2-CB 3.62Å; I155-L159 HydrophobicContact CG2-CD1 4.04Å |
| 156 | S | 87 | Confident | 87.5 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.9 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | L158 L159 E160 | S156-L158 VanDerWaalsContact C-N 3.26Å; S156-L158 PolarHBondContact O-N 3.26Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 VanDerWaalsContact O-N 3.1Å; S156-E160 PolarHBondContact O-N 2.86Å |
| 157 | S | 87.1 | Confident | 87.7 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 179 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | L159 E160 E161 | S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 PolarHBondContact O-N 2.87Å; S157-E160 WeakPolarHBondContact O-CB 3.17Å; S157-E160 PolarHBondContact O-N 2.9Å; S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 3.3Å |
| 158 | L | 88.1 | Confident | 88 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 178.3 | -64.7 | 176 | 0 | 0 | 0 | 112.6 | S156 Q162 L192 L193 | S156-L158 VanDerWaalsContact C-N 3.26Å; S156-L158 PolarHBondContact O-N 3.26Å; L158-Q162 WeakPolarHBondContact O-CG 3.35Å; L158-Q162 PolarHBondContact O-N 3.45Å; L158-L192 HydrophobicContact CB-CD2 3.55Å; L158-L192 HydrophobicContact CD1-CD2 4.19Å; L158-L193 HydrophobicContact CD1-CD2 3.78Å; L158-L193 HydrophobicContact CD1-CG 4.39Å |
| 159 | L | 87.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.3 | -38 | 175.1 | -78.2 | 172.7 | 0 | 0 | 0 | 110.7 | I155 S156 S157 E161 Q162 F163 V186 E188 L192 | I155-L159 HydrophobicContact CG2-CB 3.62Å; I155-L159 HydrophobicContact CG2-CD1 4.04Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 VanDerWaalsContact O-N 3.1Å; S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 PolarHBondContact O-N 2.87Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.95Å; L159-Q162 PolarHBondContact O-N 2.93Å; L159-Q162 VanDerWaalsContact O-N 3.14Å; L159-F163 HydrophobicContact CB-CD2 4.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.24Å; L159-F163 PolarHBondContact O-N 2.68Å; L159-V186 HydrophobicContact CD2-CG1 4.27Å; L159-E188 HydrophobicContact CD1-CG 4.13Å; L159-E188 WeakPolarHBondContact CD1-OE1 3.44Å; L159-L192 HydrophobicContact CD2-CD2 4.22Å; L159-L192 HydrophobicContact CG-CD2 4.2Å |
| 160 | E | 86.7 | Confident | 88.6 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 176.5 | -167.6 | 174.5 | -169.9 | 0 | 0 | 111.9 | S156 S157 F163 Q164 | S156-E160 PolarHBondContact O-N 2.86Å; S157-E160 WeakPolarHBondContact O-CB 3.17Å; S157-E160 PolarHBondContact O-N 2.9Å; E160-F163 PolarHBondContact O-N 3.06Å; E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 PolarHBondContact O-N 3.25Å |
| 161 | E | 87.6 | Confident | 89.1 | Confident | 109 Ų | 109 | 66.6 Ų | 66.6 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 173.4 | -71.6 | 173.5 | -165 | 0 | 0 | 112.4 | S157 L159 Q164 Q165 | S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 3.3Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.95Å; E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.15Å; E161-Q165 WeakPolarHBondContact O-CG 2.98Å; E161-Q165 PolarHBondContact O-N 3.1Å |
| 162 | Q | 90.3 | Very high | 89.5 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.1 | -71.7 | -175.1 | 13.5 | 0 | 0 | 112.4 | L158 L159 Q164 Q165 G166 K167 L168 L169 L192 | L158-Q162 WeakPolarHBondContact O-CG 3.35Å; L158-Q162 PolarHBondContact O-N 3.45Å; L159-Q162 PolarHBondContact O-N 2.93Å; L159-Q162 VanDerWaalsContact O-N 3.14Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.3Å; Q162-Q165 PolarHBondContact O-N 2.91Å; Q162-G166 PolarHBondContact O-N 3.46Å; Q162-G166 VanDerWaalsContact O-N 3.1Å; Q162-K167 CarbonylContact C-O 3.54Å; Q162-K167 WeakPolarHBondContact CB-O 3.41Å; Q162-K167 PolarHBondContact O-N 3.36Å; Q162-K167 VanDerWaalsContact O-O 3.05Å; Q162-L168 HydrophobicContact CB-CD2 3.77Å; Q162-L169 VanDerWaalsContact OE1-N 3.08Å; Q162-L192 VanDerWaalsContact NE2-CD1 3.33Å |
| 163 | F | 89.1 | Confident | 90.1 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 172.2 | -83.5 | -70.3 | 0 | 0 | 0 | 111.4 | W67 L118 L159 E160 Q165 G166 L168 | W67-F163 HydrophobicContact CE3-CZ 4.28Å; W67-F163 AromaticContact CH2-CE2 3.73Å; W67-F163 HydrophobicContact CH2-CE2 3.73Å; W67-F163 AromaticContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CH2-CZ 3.69Å; W67-F163 HydrophobicContact CZ2-CE2 4.07Å; W67-F163 HydrophobicContact CZ2-CZ 4.31Å; W67-F163 HydrophobicContact CZ3-CE2 4.2Å; W67-F163 AromaticContact CZ3-CZ 3.67Å; W67-F163 HydrophobicContact CZ3-CZ 3.67Å; L118-F163 HydrophobicContact CD2-CB 4.42Å; L118-F163 HydrophobicContact CD2-CD1 3.85Å; L118-F163 HydrophobicContact CD2-CD2 3.68Å; L118-F163 HydrophobicContact CD2-CE1 3.97Å; L118-F163 HydrophobicContact CD2-CE2 3.82Å; L118-F163 HydrophobicContact CD2-CG 3.72Å; L118-F163 HydrophobicContact CD2-CZ 3.96Å; L118-F163 HydrophobicContact CG-CB 4.18Å; L118-F163 HydrophobicContact CG-CD1 4.41Å; L118-F163 HydrophobicContact CG-CD2 4.22Å; L118-F163 HydrophobicContact CG-CG 4.03Å; L159-F163 HydrophobicContact CB-CD2 4.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.24Å; L159-F163 PolarHBondContact O-N 2.68Å; E160-F163 PolarHBondContact O-N 3.06Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.91Å; F163-G166 PolarHBondContact O-N 2.95Å; F163-G166 VanDerWaalsContact O-N 3.08Å; F163-L168 HydrophobicContact CD1-CD2 4.23Å; F163-L168 HydrophobicContact CD2-CD2 4.02Å; F163-L168 HydrophobicContact CE1-CD1 3.96Å; F163-L168 HydrophobicContact CE1-CD2 4.14Å; F163-L168 HydrophobicContact CE1-CG 4.45Å; F163-L168 HydrophobicContact CE2-CD2 3.91Å; F163-L168 HydrophobicContact CG-CD2 4.16Å; F163-L168 HydrophobicContact CZ-CD1 3.82Å; F163-L168 HydrophobicContact CZ-CD2 3.97Å; F163-L168 HydrophobicContact CZ-CG 4.47Å |
| 164 | Q | 87.9 | Confident | 90.8 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.7 | -33.5 | 175 | -169.6 | 179.5 | -4.8 | 0 | 0 | 113.2 | G119 E160 E161 Q162 G166 | G119-Q164 WeakPolarHBondContact O-CA 3.19Å; E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 PolarHBondContact O-N 3.25Å; E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.15Å; Q162-Q164 VanDerWaalsContact C-N 3.26Å; Q162-Q164 PolarHBondContact O-N 3.3Å; Q164-G166 PolarHBondContact O-N 3.36Å |
| 165 | Q | 88.9 | Confident | 91.4 | Very high | 141 Ų | 141 | 53 Ų | 53 | 66% | 0.659 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -75.9 | -12.4 | 172.9 | -67.5 | 176.6 | 5.4 | 0 | 0 | 113.3 | E161 Q162 F163 K167 | E161-Q165 WeakPolarHBondContact O-CG 2.98Å; E161-Q165 PolarHBondContact O-N 3.1Å; Q162-Q165 PolarHBondContact O-N 2.91Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.91Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.24Å |
| 166 | G | 88.9 | Confident | 92 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 12.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S106 Q162 F163 Q164 | S106-G166 PolarHBondContact N-O 2.74Å; S106-G166 VanDerWaalsContact OG-CA 3.24Å; S106-G166 WeakPolarHBondContact OG-CA 3.44Å; S106-G166 PolarHBondContact OG-O 3.18Å; Q162-G166 PolarHBondContact O-N 3.46Å; Q162-G166 VanDerWaalsContact O-N 3.1Å; F163-G166 PolarHBondContact O-N 2.95Å; F163-G166 VanDerWaalsContact O-N 3.08Å; Q164-G166 PolarHBondContact O-N 3.36Å |
| 167 | K | 93.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 130.5 | -174.9 | -55.4 | 178.8 | -171.5 | 169.1 | 0 | 110.3 | I79 L103 I104 Q162 Q165 | I79-K167 HydrophobicContact CD1-CB 4.43Å; I79-K167 HydrophobicContact CD1-CD 4.01Å; I79-K167 HydrophobicContact CD1-CG 3.76Å; L103-K167 HydrophobicContact CD2-CB 4.1Å; I104-K167 CarbonylContact O-C 3.54Å; I104-K167 VanDerWaalsContact O-CA 3.27Å; I104-K167 WeakPolarHBondContact O-CA 3.33Å; Q162-K167 CarbonylContact C-O 3.54Å; Q162-K167 WeakPolarHBondContact CB-O 3.41Å; Q162-K167 PolarHBondContact O-N 3.36Å; Q162-K167 VanDerWaalsContact O-O 3.05Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.24Å |
| 168 | L | 93.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.3 | 177.3 | -59.6 | 173.9 | 0 | 0 | 0 | 110.7 | L103 I104 Y109 Q162 F163 V186 | L103-L168 WeakPolarHBondContact CA-O 3.14Å; I104-L168 HydrophobicContact CD1-CB 4.38Å; I104-L168 HydrophobicContact CG1-CB 3.88Å; I104-L168 WeakPolarHBondContact CG1-O 3.34Å; I104-L168 PolarHBondContact N-O 3.01Å; I104-L168 PolarHBondContact O-N 3.25Å; Y109-L168 HydrophobicContact CD2-CD1 3.6Å; Y109-L168 HydrophobicContact CE2-CD1 3.95Å; Y109-L168 HydrophobicContact CG-CD1 4.29Å; Q162-L168 HydrophobicContact CB-CD2 3.77Å; F163-L168 HydrophobicContact CD1-CD2 4.23Å; F163-L168 HydrophobicContact CD2-CD2 4.02Å; F163-L168 HydrophobicContact CE1-CD1 3.96Å; F163-L168 HydrophobicContact CE1-CD2 4.14Å; F163-L168 HydrophobicContact CE1-CG 4.45Å; F163-L168 HydrophobicContact CE2-CD2 3.91Å; F163-L168 HydrophobicContact CG-CD2 4.16Å; F163-L168 HydrophobicContact CZ-CD1 3.82Å; F163-L168 HydrophobicContact CZ-CD2 3.97Å; F163-L168 HydrophobicContact CZ-CG 4.47Å; L168-V186 HydrophobicContact CB-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG2 4.26Å |
| 169 | L | 95.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.1 | 167.5 | -70.6 | 172.5 | 0 | 0 | 0 | 110.1 | V82 I101 L103 Q162 L187 L192 | V82-L169 HydrophobicContact CG2-CD2 4.18Å; I101-L169 HydrophobicContact CG2-CD2 4.04Å; L103-L169 HydrophobicContact CD2-CD2 3.59Å; L103-L169 HydrophobicContact CD2-CG 4.19Å; L103-L169 HydrophobicContact CG-CD2 4.12Å; Q162-L169 VanDerWaalsContact OE1-N 3.08Å; L169-L187 HydrophobicContact CB-CD1 4.18Å; L169-L187 PolarHBondContact O-N 2.83Å; L169-L192 HydrophobicContact CB-CD1 4.31Å; L169-L192 HydrophobicContact CD1-CD1 4.34Å |
| 170 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | F65 I101 V102 I104 Y185 | F65-A170 HydrophobicContact CD1-CB 3.62Å; F65-A170 HydrophobicContact CE1-CB 3.79Å; I101-A170 CarbonylContact C-O 3.55Å; I101-A170 WeakPolarHBondContact CA-O 3.34Å; V102-A170 HydrophobicContact CG2-CB 4.26Å; V102-A170 WeakPolarHBondContact CG2-O 3.44Å; V102-A170 PolarHBondContact N-O 3.23Å; V102-A170 PolarHBondContact O-N 3.1Å; I104-A170 HydrophobicContact CD1-CB 3.75Å; I104-A170 HydrophobicContact CG1-CB 4.02Å; I104-A170 HydrophobicContact CG2-CB 4Å; A170-Y185 CarbonylContact C-O 3.59Å; A170-Y185 VanDerWaalsContact CA-O 3.25Å; A170-Y185 WeakPolarHBondContact CA-O 3.2Å; A170-Y185 WeakPolarHBondContact CB-O 3.45Å |
| 171 | C | 97 | Very high | 94.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.9 | 176 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | I101 A173 G184 Y185 L187 | I101-C171 HydrophobicContact CD1-CB 3.76Å; C171-A173 PolarHBondContact O-N 2.93Å; C171-G184 CarbonylContact O-C 3.51Å; C171-G184 WeakPolarHBondContact O-CA 3.35Å; C171-Y185 HydrophobicContact CB-CE1 3.99Å; C171-Y185 HydrophobicContact CB-CE2 4.27Å; C171-Y185 PolarHBondContact N-O 3.14Å; C171-Y185 PolarHBondContact O-N 3.47Å; C171-L187 HydrophobicContact CB-CD2 3.81Å |
| 172 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.3 | 174.5 | -63.3 | 179.3 | 0 | 0 | 0 | 109.8 | F65 L96 N99 C100 V102 P176 A182 | F65-I172 HydrophobicContact CE1-CG1 4.3Å; F65-I172 HydrophobicContact CZ-CG1 4.36Å; L96-I172 HydrophobicContact CB-CD1 4.25Å; L96-I172 HydrophobicContact CD2-CD1 3.92Å; N99-I172 WeakPolarHBondContact CA-O 3.3Å; N99-I172 PolarHBondContact N-O 2.98Å; C100-I172 PolarHBondContact O-N 2.83Å; V102-I172 HydrophobicContact CG1-CD1 3.8Å; V102-I172 HydrophobicContact CG1-CG1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 4.34Å; V102-I172 HydrophobicContact CG2-CG1 4.01Å; I172-P176 HydrophobicContact CG2-CG 4.5Å; I172-A182 HydrophobicContact CD1-CB 4.46Å |
| 173 | A | 97.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | trans | -87.6 | -23 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K98 C171 D183 Y185 | K98-A173 WeakPolarHBondContact CD-O 3.42Å; K98-A173 VanDerWaalsContact CE-O 3.24Å; K98-A173 WeakPolarHBondContact CE-O 3.33Å; C171-A173 PolarHBondContact O-N 2.93Å; A173-D183 PolarHBondContact N-O 2.77Å; A173-Y185 HydrophobicContact CB-CD1 4.31Å; A173-Y185 HydrophobicContact CB-CE1 4.46Å | ||
| 174 | S | 97.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -82.3 | 171.9 | -178.2 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | K98 P176 R181 A182 D183 | K98-S174 WeakPolarHBondContact CA-O 3.43Å; K98-S174 VanDerWaalsContact CB-O 3.29Å; K98-S174 WeakPolarHBondContact CB-O 3.43Å; S174-P176 WeakPolarHBondContact O-CD 3.25Å; S174-R181 PolarHBondContact OG-O 2.83Å; S174-R181 VanDerWaalsContact OG-O 3.1Å; S174-A182 WeakPolarHBondContact OG-CA 3.33Å; S174-D183 WeakPolarHBondContact CB-O 3.18Å; S174-D183 PolarHBondContact N-O 3.07Å; S174-D183 PolarHBondContact OG-N 2.96Å; S174-D183 PolarHBondContact OG-O 3.05Å |
| 175 | R | 97.9 | Very high | 96 | Very high | 162 Ų | 162 | 46.5 Ų | 46.5 | 61% | 0.611 | 23% | 0.233 | S | C | * | . | trans | -115.4 | 88.9 | 176.4 | -73.5 | 178.5 | 173.6 | 170.2 | -0.5 | 110.2 | K98 G177 Q178 C179 | K98-R175 HydrophobicContact CB-CG 3.94Å; K98-R175 HydrophobicContact CD-CG 4.04Å; K98-R175 HydrophobicContact CG-CG 4.47Å; R175-G177 PolarHBondContact O-N 3.04Å; R175-G177 VanDerWaalsContact O-N 3.08Å; R175-Q178 HydrophobicContact CB-CB 4.27Å; R175-Q178 HydrophobicContact CB-CG 4.38Å; R175-Q178 PolarHBondContact O-N 2.92Å; R175-C179 VanDerWaalsContact C-SG 3.53Å; R175-C179 PolarHBondContact O-N 3.32Å; R175-C179 PolarHBondContact O-SG 2.98Å | ||
| 176 | P | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.2 | -37.6 | -173.6 | -27 | 31.8 | 0 | 0 | 0 | 114.4 | T36 A57 L60 L96 I172 S174 Q178 G180 R181 A182 | T36-P176 HydrophobicContact CG2-CB 4.14Å; A57-P176 HydrophobicContact CB-CB 4.27Å; A57-P176 WeakPolarHBondContact CB-O 3.4Å; A57-P176 PolarHBondContact N-O 3.31Å; L60-P176 HydrophobicContact CD1-CB 4.17Å; L96-P176 HydrophobicContact CB-CG 4.32Å; I172-P176 HydrophobicContact CG2-CG 4.5Å; S174-P176 WeakPolarHBondContact O-CD 3.25Å; P176-Q178 PolarHBondContact O-N 3.02Å; P176-G180 VanDerWaalsContact O-CA 3.27Å; P176-G180 WeakPolarHBondContact O-CA 3.04Å; P176-G180 PolarHBondContact O-N 3.36Å; P176-R181 WeakPolarHBondContact CA-O 3.13Å; P176-R181 WeakPolarHBondContact CG-O 3.17Å; P176-A182 HydrophobicContact CG-CB 4.26Å |
| 177 | G | 96.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.2 | 3.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R56 R175 | R56-G177 WeakPolarHBondContact CD-O 3.42Å; R56-G177 VanDerWaalsContact CZ-O 3.3Å; R56-G177 PolarHBondContact NE-O 3.2Å; R56-G177 PolarHBondContact NH1-O 3.25Å; R175-G177 PolarHBondContact O-N 3.04Å; R175-G177 VanDerWaalsContact O-N 3.08Å |
| 178 | Q | 96.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 37.3 Ų | 37.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -126 | -44.1 | 176.3 | -63.1 | -64.6 | -71.3 | 0 | 0 | 112 | K54 Y55 R56 R175 P176 | K54-Q178 VanDerWaalsContact CD-OE1 3.27Å; Y55-Q178 PolarHBondContact N-O 3.2Å; Y55-Q178 CarbonylContact O-C 3.58Å; Y55-Q178 VanDerWaalsContact O-O 3.14Å; R56-Q178 VanDerWaalsContact CZ-NE2 3.34Å; R175-Q178 HydrophobicContact CB-CB 4.27Å; R175-Q178 HydrophobicContact CB-CG 4.38Å; R175-Q178 PolarHBondContact O-N 2.92Å; P176-Q178 PolarHBondContact O-N 3.02Å |
| 179 | C | 97.2 | Very high | 96.1 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 35% | 0.345 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -99 | -12.9 | -178.5 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | R175 R181 | R175-C179 VanDerWaalsContact C-SG 3.53Å; R175-C179 PolarHBondContact O-N 3.32Å; R175-C179 PolarHBondContact O-SG 2.98Å; C179-R181 VanDerWaalsContact C-N 3.27Å; C179-R181 PolarHBondContact O-N 3Å |
| 180 | G | 97.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 74.1 | 13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I43 Y55 P176 | I43-G180 WeakPolarHBondContact CD1-O 3.29Å; Y55-G180 PolarHBondContact O-N 3.33Å; Y55-G180 VanDerWaalsContact O-N 3.14Å; P176-G180 VanDerWaalsContact O-CA 3.27Å; P176-G180 WeakPolarHBondContact O-CA 3.04Å; P176-G180 PolarHBondContact O-N 3.36Å |
| 181 | R | 97.4 | Very high | 94.9 | Very high | 162 Ų | 162 | 51.1 Ų | 51.1 | 61% | 0.611 | 26% | 0.258 | S | S | * | . | trans | -126 | 153.4 | -178.7 | -57.1 | -176.7 | -174.3 | 174.1 | -1.1 | 111.1 | S174 P176 C179 D183 | S174-R181 PolarHBondContact OG-O 2.83Å; S174-R181 VanDerWaalsContact OG-O 3.1Å; P176-R181 WeakPolarHBondContact CA-O 3.13Å; P176-R181 WeakPolarHBondContact CG-O 3.17Å; C179-R181 VanDerWaalsContact C-N 3.27Å; C179-R181 PolarHBondContact O-N 3Å; R181-D183 WeakPolarHBondContact CB-OD2 3.42Å; R181-D183 WeakPolarHBondContact CD-OD2 3.46Å | ||
| 182 | A | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -121.2 | 56 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | L60 G63 F65 I78 L96 I172 S174 P176 | L60-A182 HydrophobicContact CD1-CB 3.84Å; G63-A182 WeakPolarHBondContact CA-O 3.32Å; F65-A182 WeakPolarHBondContact CZ-O 3.33Å; I78-A182 HydrophobicContact CD1-CB 3.59Å; L96-A182 HydrophobicContact CD1-CB 4.45Å; I172-A182 HydrophobicContact CD1-CB 4.46Å; S174-A182 WeakPolarHBondContact OG-CA 3.33Å; P176-A182 HydrophobicContact CG-CB 4.26Å | ||
| 183 | D | 97.7 | Very high | 92.8 | Very high | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | trans | -82.4 | 150.7 | 178.4 | -50.7 | -35.7 | 0 | 0 | 0 | 111.1 | N64 A173 S174 R181 | N64-D183 HydrophobicContact CB-CB 4.47Å; N64-D183 WeakPolarHBondContact CB-OD1 3.44Å; N64-D183 PolarHBondContact N-OD1 2.85Å; N64-D183 VanDerWaalsContact N-OD1 3.1Å; N64-D183 CarbonylContact O-C 3.58Å; N64-D183 WeakPolarHBondContact O-CA 3.39Å; N64-D183 WeakPolarHBondContact O-CB 3.5Å; A173-D183 PolarHBondContact N-O 2.77Å; S174-D183 WeakPolarHBondContact CB-O 3.18Å; S174-D183 PolarHBondContact N-O 3.07Å; S174-D183 PolarHBondContact OG-N 2.96Å; S174-D183 PolarHBondContact OG-O 3.05Å; R181-D183 WeakPolarHBondContact CB-OD2 3.42Å; R181-D183 WeakPolarHBondContact CD-OD2 3.46Å | ||
| 184 | G | 97.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | -163.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N64 F65 S66 C171 | N64-G184 PolarHBondContact O-N 3.21Å; F65-G184 WeakPolarHBondContact CA-O 3.24Å; S66-G184 PolarHBondContact N-O 3.21Å; C171-G184 CarbonylContact O-C 3.51Å; C171-G184 WeakPolarHBondContact O-CA 3.35Å |
| 185 | Y | 96.9 | Very high | 88.3 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.6 | 177.9 | 63.8 | -86.8 | 0 | 0 | 0 | 111 | S66 A170 C171 A173 L187 E191 | S66-Y185 CarbonylContact O-C 3.14Å; S66-Y185 WeakPolarHBondContact O-CA 3.4Å; S66-Y185 WeakPolarHBondContact O-CB 3.35Å; A170-Y185 CarbonylContact C-O 3.59Å; A170-Y185 VanDerWaalsContact CA-O 3.25Å; A170-Y185 WeakPolarHBondContact CA-O 3.2Å; A170-Y185 WeakPolarHBondContact CB-O 3.45Å; C171-Y185 HydrophobicContact CB-CE1 3.99Å; C171-Y185 HydrophobicContact CB-CE2 4.27Å; C171-Y185 PolarHBondContact N-O 3.14Å; C171-Y185 PolarHBondContact O-N 3.47Å; A173-Y185 HydrophobicContact CB-CD1 4.31Å; A173-Y185 HydrophobicContact CB-CE1 4.46Å; Y185-L187 HydrophobicContact CE2-CD2 4.08Å; Y185-E191 WeakPolarHBondContact CE2-OE2 3.27Å; Y185-E191 PolarHBondContact OH-OE2 3.22Å |
| 186 | V | 95.6 | Very high | 85.8 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 136.7 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 109 | S66 W67 I104 Y109 L159 L168 | S66-V186 PolarHBondContact O-N 3.32Å; W67-V186 HydrophobicContact CB-CG2 4.42Å; I104-V186 HydrophobicContact CD1-CG2 4.05Å; Y109-V186 HydrophobicContact CE2-CG2 4.33Å; L159-V186 HydrophobicContact CD2-CG1 4.27Å; L168-V186 HydrophobicContact CB-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG1 4.24Å; L168-V186 HydrophobicContact CD1-CG2 4.26Å |
| 187 | L | 94.1 | Very high | 83.2 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | trans | -75 | 134.6 | 178.2 | -66.7 | -176.6 | 0 | 0 | 0 | 110.5 | I101 L169 C171 Y185 E191 L192 | I101-L187 HydrophobicContact CD1-CD1 3.96Å; I101-L187 HydrophobicContact CD1-CD2 4.42Å; I101-L187 HydrophobicContact CG2-CD1 3.98Å; L169-L187 HydrophobicContact CB-CD1 4.18Å; L169-L187 PolarHBondContact O-N 2.83Å; C171-L187 HydrophobicContact CB-CD2 3.81Å; Y185-L187 HydrophobicContact CE2-CD2 4.08Å; L187-E191 HydrophobicContact CD2-CB 4.25Å; L187-L192 HydrophobicContact CB-CD1 3.65Å; L187-L192 WeakPolarHBondContact O-CD1 3.29Å | ||
| 188 | E | 90.6 | Very high | 80.7 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | trans | -140 | 161 | -178.8 | -54 | -165.9 | 97.8 | 0 | 0 | 112 | W67 S69 L159 K190 E191 | W67-E188 VanDerWaalsContact CD1-CD 3.5Å; W67-E188 VanDerWaalsContact CD1-OE1 3.26Å; W67-E188 PolarHBondContact NE1-OE1 2.91Å; S69-E188 WeakPolarHBondContact CB-OE1 3.5Å; S69-E188 WeakPolarHBondContact CB-OE2 3.41Å; S69-E188 PolarHBondContact N-OE2 3.42Å; S69-E188 PolarHBondContact OG-OE1 3.22Å; S69-E188 VanDerWaalsContact OG-OE1 3.06Å; L159-E188 HydrophobicContact CD1-CG 4.13Å; L159-E188 WeakPolarHBondContact CD1-OE1 3.44Å; E188-K190 PolarHBondContact O-N 3.06Å; E188-E191 PolarHBondContact O-N 3.1Å; E188-E191 VanDerWaalsContact O-N 3.15Å | ||
| 189 | G | 87.9 | Confident | 78 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | 56.5 | -126.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E191 L192 | G189-E191 VanDerWaalsContact C-N 3.28Å; G189-E191 PolarHBondContact O-N 2.86Å; G189-L192 PolarHBondContact O-N 3.23Å |
| 190 | K | 85.2 | Confident | 75.9 | Confident | 172 Ų | 172 | 69.8 Ų | 69.8 | 75% | 0.748 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -66.8 | -26.8 | -178.1 | -67.2 | -175 | -179.8 | -178.5 | 0 | 113.7 | E188 L192 L193 | E188-K190 PolarHBondContact O-N 3.06Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L193 PolarHBondContact O-N 3.44Å |
| 191 | E | 82.6 | Confident | 73.7 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -75.5 | -19.9 | 178.8 | -60.5 | -169.9 | 174.9 | 0 | 0 | 112.3 | Y185 L187 E188 G189 | Y185-E191 WeakPolarHBondContact CE2-OE2 3.27Å; Y185-E191 PolarHBondContact OH-OE2 3.22Å; L187-E191 HydrophobicContact CD2-CB 4.25Å; E188-E191 PolarHBondContact O-N 3.1Å; E188-E191 VanDerWaalsContact O-N 3.15Å; G189-E191 VanDerWaalsContact C-N 3.28Å; G189-E191 PolarHBondContact O-N 2.86Å |
| 192 | L | 79.1 | Confident | 71.6 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -23.2 | 176.3 | -161.6 | 68.1 | 0 | 0 | 0 | 112.5 | L158 L159 Q162 L169 L187 G189 K190 | L158-L192 HydrophobicContact CB-CD2 3.55Å; L158-L192 HydrophobicContact CD1-CD2 4.19Å; L159-L192 HydrophobicContact CD2-CD2 4.22Å; L159-L192 HydrophobicContact CG-CD2 4.2Å; Q162-L192 VanDerWaalsContact NE2-CD1 3.33Å; L169-L192 HydrophobicContact CB-CD1 4.31Å; L169-L192 HydrophobicContact CD1-CD1 4.34Å; L187-L192 HydrophobicContact CB-CD1 3.65Å; L187-L192 WeakPolarHBondContact O-CD1 3.29Å; G189-L192 PolarHBondContact O-N 3.23Å; K190-L192 VanDerWaalsContact C-N 3.26Å |
| 193 | L | 69.5 | Low | 69.5 | Low | 68 Ų | 68 | 80.1 Ų | 80.1 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -71.6 | 137 | -178.4 | -74 | 167.5 | 0 | 0 | 0 | 110.4 | L158 K190 | L158-L193 HydrophobicContact CD1-CD2 3.78Å; L158-L193 HydrophobicContact CD1-CG 4.39Å; K190-L193 PolarHBondContact O-N 3.44Å |
| 194 | P | 52.3 | Low | 67.7 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | trans | -57.7 | 142.6 | 173.1 | -19.2 | 30.7 | 0 | 0 | 0 | 111.2 | E196 D197 | P194-E196 PolarHBondContact O-N 3.06Å; P194-D197 PolarHBondContact O-N 2.71Å | ||
| 195 | E | 47.8 | Very low | 65.9 | Low | 147 Ų | 147 | 86.5 Ų | 86.5 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -53.1 | -21.9 | 177.7 | -82.9 | 179.1 | 158.1 | 0 | 0 | 113.8 | D197 Q198 | E195-D197 PolarHBondContact O-N 2.89Å; E195-Q198 PolarHBondContact O-N 2.97Å |
| 196 | E | 45.1 | Very low | 63.9 | Low | 127 Ų | 127 | 86.1 Ų | 86.1 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -58.4 | -30.5 | 175.3 | -71 | -166.1 | -177.3 | 0 | 0 | 113.9 | P194 Q198 S199 R202 | P194-E196 PolarHBondContact O-N 3.06Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.36Å; E196-S199 PolarHBondContact O-OG 2.97Å; E196-R202 IonicContact OE2-CZ 2.82Å; E196-R202 IonicContact OE2-NH1 3.35Å; E196-R202 PolarHBondContact OE2-NH1 2.95Å; E196-R202 IonicContact OE2-NH2 3.98Å; E196-R202 PolarHBondContact OE2-NH2 2.8Å |
| 197 | D | 43.9 | Very low | 62.6 | Low | 77 Ų | 77 | 92.8 Ų | 92.8 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -81.9 | -6.8 | 177.8 | -76.7 | -17.7 | 0 | 0 | 0 | 113.3 | P194 E195 R202 | P194-D197 PolarHBondContact O-N 2.71Å; E195-D197 PolarHBondContact O-N 2.89Å; D197-R202 IonicContact OD1-NH1 2.71Å |
| 198 | Q | 43 | Very low | 61.3 | Low | 109 Ų | 109 | 95.7 Ų | 95.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -95.6 | -4.6 | 175.6 | -60.2 | -174.3 | 5.7 | 0 | 0 | 112.9 | E195 E196 | E195-Q198 PolarHBondContact O-N 2.97Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.36Å |
| 199 | S | 40.7 | Very low | 60.2 | Low | 35 Ų | 35 | 96.1 Ų | 96.1 | 25% | 0.245 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -59.9 | 129.5 | 172 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | E196 E201 R202 Q203 | E196-S199 PolarHBondContact O-OG 2.97Å; S199-E201 PolarHBondContact O-N 2.79Å; S199-E201 VanDerWaalsContact O-N 3.09Å; S199-R202 PolarHBondContact O-N 2.94Å; S199-Q203 PolarHBondContact O-N 3.25Å |
| 200 | P | 52.9 | Low | 59.6 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.1 | -31.6 | 178.4 | -15.8 | 20.4 | 0 | 0 | 0 | 112.1 | Q203 I204 | P200-Q203 PolarHBondContact O-N 2.84Å; P200-I204 WeakPolarHBondContact O-CB 3.4Å; P200-I204 WeakPolarHBondContact O-CD1 3.4Å; P200-I204 WeakPolarHBondContact O-CG1 3.49Å; P200-I204 PolarHBondContact O-N 3.1Å |
| 201 | E | 51.3 | Low | 59 | Low | 146 Ų | 146 | 94 Ų | 94 | 68% | 0.682 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | -178.1 | -64.1 | 179.6 | 174.6 | 0 | 0 | 113 | S199 N205 | S199-E201 PolarHBondContact O-N 2.79Å; S199-E201 VanDerWaalsContact O-N 3.09Å; E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.14Å; E201-N205 PolarHBondContact O-ND2 2.84Å; E201-N205 VanDerWaalsContact O-ND2 3.09Å |
| 202 | R | 53.8 | Low | 58.6 | Low | 123 Ų | 123 | 95.4 Ų | 95.4 | 46% | 0.464 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.1 | -33.7 | 176.9 | -76.3 | -172.1 | -177.2 | 165.4 | 9.3 | 112.4 | E196 D197 S199 N205 S206 | E196-R202 IonicContact OE2-CZ 2.82Å; E196-R202 IonicContact OE2-NH1 3.35Å; E196-R202 PolarHBondContact OE2-NH1 2.95Å; E196-R202 IonicContact OE2-NH2 3.98Å; E196-R202 PolarHBondContact OE2-NH2 2.8Å; D197-R202 IonicContact OD1-NH1 2.71Å; S199-R202 PolarHBondContact O-N 2.94Å; R202-N205 PolarHBondContact O-N 3.05Å; R202-S206 WeakPolarHBondContact O-CB 3.24Å; R202-S206 PolarHBondContact O-N 3.18Å |
| 203 | Q | 52.7 | Low | 58.3 | Low | 115 Ų | 115 | 102.3 Ų | 102.3 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 174 | -72.2 | -175.9 | 2.9 | 0 | 0 | 111.8 | S199 P200 S206 F207 | S199-Q203 PolarHBondContact O-N 3.25Å; P200-Q203 PolarHBondContact O-N 2.84Å; Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 PolarHBondContact O-OG 2.85Å; Q203-S206 VanDerWaalsContact O-OG 3.12Å; Q203-F207 WeakPolarHBondContact O-CB 3.49Å; Q203-F207 PolarHBondContact O-N 3.08Å |
| 204 | I | 59.5 | Low | 58.4 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174 | -69.4 | 164.6 | 0 | 0 | 0 | 110.5 | P200 S206 F207 I208 | P200-I204 WeakPolarHBondContact O-CB 3.4Å; P200-I204 WeakPolarHBondContact O-CD1 3.4Å; P200-I204 WeakPolarHBondContact O-CG1 3.49Å; P200-I204 PolarHBondContact O-N 3.1Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 2.92Å; I204-F207 PolarHBondContact O-N 3.02Å; I204-I208 HydrophobicContact CG2-CD1 3.61Å; I204-I208 HydrophobicContact CG2-CG1 4.27Å; I204-I208 WeakPolarHBondContact O-CB 3.33Å; I204-I208 VanDerWaalsContact O-CG1 3.26Å; I204-I208 WeakPolarHBondContact O-CG1 3.5Å; I204-I208 PolarHBondContact O-N 2.76Å |
| 205 | N | 58.8 | Low | 59.1 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.3 | -75 | -30.7 | 0 | 0 | 0 | 112.8 | E201 R202 A209 | E201-N205 WeakPolarHBondContact O-CB 3.43Å; E201-N205 PolarHBondContact O-N 3.14Å; E201-N205 PolarHBondContact O-ND2 2.84Å; E201-N205 VanDerWaalsContact O-ND2 3.09Å; R202-N205 PolarHBondContact O-N 3.05Å; N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.07Å; N205-A209 PolarHBondContact O-N 3.07Å |
| 206 | S | 55.7 | Low | 60 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 174.2 | 96.7 | 0 | 0 | 0 | 0 | 112.1 | R202 Q203 I204 A209 H210 | R202-S206 WeakPolarHBondContact O-CB 3.24Å; R202-S206 PolarHBondContact O-N 3.18Å; Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 PolarHBondContact O-OG 2.85Å; Q203-S206 VanDerWaalsContact O-OG 3.12Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 2.92Å; S206-A209 PolarHBondContact O-N 3.37Å; S206-H210 WeakPolarHBondContact O-CB 3.14Å; S206-H210 PolarHBondContact O-N 2.86Å |
| 207 | F | 67.4 | Low | 61 | Low | 144 Ų | 144 | 109.4 Ų | 109.4 | 63% | 0.632 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | 176.8 | -175.2 | -101.1 | 0 | 0 | 0 | 111.3 | Q203 I204 A209 H210 V211 | Q203-F207 WeakPolarHBondContact O-CB 3.49Å; Q203-F207 PolarHBondContact O-N 3.08Å; I204-F207 PolarHBondContact O-N 3.02Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.46Å; F207-H210 WeakPolarHBondContact O-CB 3.27Å; F207-H210 PolarHBondContact O-N 3.42Å; F207-H210 VanDerWaalsContact O-N 3.16Å; F207-V211 HydrophobicContact CD1-CG2 4.18Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 HydrophobicContact CZ-CG2 4.09Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.81Å |
| 208 | I | 66.7 | Low | 62 | Low | 74 Ų | 74 | 113.7 Ų | 113.7 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.1 | -69.2 | 170.1 | 0 | 0 | 0 | 110.5 | I204 H210 V211 K212 | I204-I208 HydrophobicContact CG2-CD1 3.61Å; I204-I208 HydrophobicContact CG2-CG1 4.27Å; I204-I208 WeakPolarHBondContact O-CB 3.33Å; I204-I208 VanDerWaalsContact O-CG1 3.26Å; I204-I208 WeakPolarHBondContact O-CG1 3.5Å; I204-I208 PolarHBondContact O-N 2.76Å; I208-H210 VanDerWaalsContact C-N 3.34Å; I208-H210 PolarHBondContact O-N 2.93Å; I208-V211 PolarHBondContact O-N 2.82Å; I208-K212 HydrophobicContact CG2-CD 4.17Å; I208-K212 HydrophobicContact CG2-CG 4.45Å; I208-K212 WeakPolarHBondContact O-CB 3.46Å; I208-K212 WeakPolarHBondContact O-CG 3.38Å; I208-K212 PolarHBondContact O-N 3.35Å |
| 209 | A | 68.2 | Low | 63.1 | Low | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.3 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N205 S206 F207 K213 | N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.07Å; N205-A209 PolarHBondContact O-N 3.07Å; S206-A209 PolarHBondContact O-N 3.37Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.46Å; A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.82Å |
| 210 | H | 76.6 | Confident | 63.9 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -43.5 | 176 | -162.7 | 89.8 | 0 | 0 | 0 | 112.1 | S206 F207 I208 K213 K214 | S206-H210 WeakPolarHBondContact O-CB 3.14Å; S206-H210 PolarHBondContact O-N 2.86Å; F207-H210 WeakPolarHBondContact O-CB 3.27Å; F207-H210 PolarHBondContact O-N 3.42Å; F207-H210 VanDerWaalsContact O-N 3.16Å; I208-H210 VanDerWaalsContact C-N 3.34Å; I208-H210 PolarHBondContact O-N 2.93Å; H210-K213 PolarHBondContact O-N 3.32Å; H210-K214 PolarHBondContact O-N 2.89Å |
| 211 | V | 72.5 | Confident | 64 | Low | 61 Ų | 61 | 127.4 Ų | 127.4 | 37% | 0.37 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | F207 I208 K213 K214 K215 | F207-V211 HydrophobicContact CD1-CG2 4.18Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 HydrophobicContact CZ-CG2 4.09Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.81Å; I208-V211 PolarHBondContact O-N 2.82Å; V211-K213 PolarHBondContact O-N 3.31Å; V211-K214 PolarHBondContact O-N 3.24Å; V211-K215 PolarHBondContact O-N 3.21Å |
| 212 | K | 72.4 | Confident | 63.7 | Low | 146 Ų | 146 | 128.6 Ų | 128.6 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.9 | -42.5 | 174.7 | -77.8 | -177.9 | 178.6 | -179.8 | 0 | 111.9 | I208 K214 K215 K216 | I208-K212 HydrophobicContact CG2-CD 4.17Å; I208-K212 HydrophobicContact CG2-CG 4.45Å; I208-K212 WeakPolarHBondContact O-CB 3.46Å; I208-K212 WeakPolarHBondContact O-CG 3.38Å; I208-K212 PolarHBondContact O-N 3.35Å; K212-K214 PolarHBondContact O-N 3.28Å; K212-K215 PolarHBondContact O-N 3.41Å; K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 3.43Å |
| 213 | K | 73.2 | Confident | 64.2 | Low | 165 Ų | 165 | 128.9 Ų | 128.9 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.3 | -39.5 | 174.3 | -91.5 | -179.6 | 175.6 | 174.3 | 0 | 112.6 | A209 H210 V211 K217 | A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.82Å; H210-K213 PolarHBondContact O-N 3.32Å; V211-K213 PolarHBondContact O-N 3.31Å; K213-K217 WeakPolarHBondContact O-CB 3.36Å; K213-K217 PolarHBondContact O-N 3.02Å; K213-K217 VanDerWaalsContact O-N 3.09Å |
| 214 | K | 71.1 | Confident | 64.8 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 62% | 0.617 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -43.2 | 175.9 | -83.2 | -171 | 176.5 | 179.9 | 0 | 112.5 | H210 V211 K212 K217 K218 | H210-K214 PolarHBondContact O-N 2.89Å; V211-K214 PolarHBondContact O-N 3.24Å; K212-K214 PolarHBondContact O-N 3.28Å; K214-K217 PolarHBondContact O-N 2.58Å; K214-K218 PolarHBondContact O-N 3.29Å; K214-K218 VanDerWaalsContact O-N 3.1Å |
| 215 | K | 68.1 | Low | 65.1 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.7 | -48.9 | 174.5 | -87.7 | -172.2 | 171 | -174.2 | 0 | 111.8 | V211 K212 K217 K218 E219 | V211-K215 PolarHBondContact O-N 3.21Å; K212-K215 PolarHBondContact O-N 3.41Å; K215-K217 VanDerWaalsContact C-N 3.26Å; K215-K217 PolarHBondContact O-N 3.43Å; K215-K218 WeakPolarHBondContact O-CA 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.19Å; K215-E219 PolarHBondContact O-N 2.98Å |
| 216 | K | 66.4 | Low | 65.5 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.5 | -28.4 | 179.1 | -154.1 | 170.9 | -170.5 | 173.7 | 0 | 113.5 | K212 R220 | K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 3.43Å; K216-R220 WeakPolarHBondContact O-CG 3Å; K216-R220 PolarHBondContact O-N 2.91Å |
| 217 | K | 66.9 | Low | 66.1 | Low | 162 Ų | 162 | 136.9 Ų | 136.9 | 70% | 0.704 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.5 | -27.5 | 171.8 | -105.4 | -175.7 | 175.4 | -177.3 | 0 | 113.3 | K213 K214 K215 | K213-K217 WeakPolarHBondContact O-CB 3.36Å; K213-K217 PolarHBondContact O-N 3.02Å; K213-K217 VanDerWaalsContact O-N 3.09Å; K214-K217 PolarHBondContact O-N 2.58Å; K215-K217 VanDerWaalsContact C-N 3.26Å; K215-K217 PolarHBondContact O-N 3.43Å |
| 218 | K | 65.2 | Low | 66 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 73% | 0.726 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -78.6 | -39 | 178.1 | -157.1 | 174.6 | -177.6 | -175.1 | 0 | 110.8 | K214 K215 R220 K221 | K214-K218 PolarHBondContact O-N 3.29Å; K214-K218 VanDerWaalsContact O-N 3.1Å; K215-K218 WeakPolarHBondContact O-CA 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.19Å; K218-R220 VanDerWaalsContact C-N 3.28Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-K221 PolarHBondContact O-N 3.1Å |
| 219 | E | 64.3 | Low | 65.9 | Low | 136 Ų | 136 | 140.9 Ų | 140.9 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.7 | -22.5 | 174.1 | -72.2 | 164.8 | -176.2 | 0 | 0 | 114 | K215 | K215-E219 PolarHBondContact O-N 2.98Å |
| 220 | R | 59.2 | Low | 65.8 | Low | 197 Ų | 197 | 147.7 Ų | 147.7 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.2 | 175 | -73 | 178.3 | 174.3 | -166.9 | -4.1 | 114 | K216 K218 | K216-R220 WeakPolarHBondContact O-CG 3Å; K216-R220 PolarHBondContact O-N 2.91Å; K218-R220 VanDerWaalsContact C-N 3.28Å; K218-R220 PolarHBondContact O-N 3.44Å |
| 221 | K | 54 | Low | 64.9 | Low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -111.4 | -0.8 | -179.8 | -86.2 | -169.8 | 171 | -164.9 | 0 | 113 | K218 | K218-K221 PolarHBondContact O-N 3.1Š| ||
| 222 | C | 45.1 | Very low | 64.2 | Low | 172 Ų | 172 | 158.8 Ų | 158.8 | 100% | 1.162 | 72% | 0.722 | S | S | * | * | trans | -103.7 | 0 | 158.7 | -71.2 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 222 of 222 residues in 85.2 ms
(Link to these results)