| 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 | 69.8 | Low | 87.8 | Confident | 202 Ų | 202 | 118.7 Ų | 118.7 | 100% | 0.995 | 62% | 0.616 | S | S | * | * | 0 | 140.5 | 0 | -171.2 | 166.5 | -122.3 | 0 | 0 | 107 | A6 | M1-A6 HydrophobicContact CE-CB 4.04Å; M1-A6 HydrophobicContact CG-CB 3.94Å; M1-A6 HydrophobicContact SD-CB 3.49Å; M1-A6 WeakPolarHBondContact SD-CB 3.49Å | |||
| 2 | Q | 84.4 | Confident | 88.3 | Confident | 127 Ų | 127 | 117.4 Ų | 117.4 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | trans | -92.8 | 146.6 | 179.4 | -68 | 171.6 | -15.3 | 0 | 0 | 109.9 | I4 I5 A6 | Q2-I4 PolarHBondContact O-N 3.2Å; Q2-I5 HydrophobicContact CB-CD1 4.04Å; Q2-I5 HydrophobicContact CB-CG1 4.16Å; Q2-I5 HydrophobicContact CG-CD1 4.42Å; Q2-I5 WeakPolarHBondContact O-CB 3.39Å; Q2-I5 PolarHBondContact O-N 3.4Å; Q2-A6 PolarHBondContact O-N 3.31Å | ||
| 3 | E | 88.3 | Confident | 88.8 | Confident | 168 Ų | 168 | 116.1 Ų | 116.1 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -34.5 | 175.8 | -66.8 | 158 | -173.6 | 0 | 0 | 112 | I5 A6 S7 | E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å; E3-A6 CarbonylContact O-C 3.57Å; E3-A6 PolarHBondContact O-N 3.44Å; E3-S7 WeakPolarHBondContact O-CA 3.49Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.22Å |
| 4 | I | 87.2 | Confident | 89.3 | Confident | 158 Ų | 158 | 117.9 Ų | 117.9 | 81% | 0.81 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -30.4 | 175.6 | -55 | 173.2 | 0 | 0 | 0 | 112.4 | Q2 | Q2-I4 PolarHBondContact O-N 3.2Š|
| 5 | I | 88.6 | Confident | 89.6 | Confident | 117 Ų | 117 | 118.7 Ų | 118.7 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -29.6 | -176.6 | -59.6 | 172.2 | 0 | 0 | 0 | 111.1 | Q2 E3 | Q2-I5 HydrophobicContact CB-CD1 4.04Å; Q2-I5 HydrophobicContact CB-CG1 4.16Å; Q2-I5 HydrophobicContact CG-CD1 4.42Å; Q2-I5 WeakPolarHBondContact O-CB 3.39Å; Q2-I5 PolarHBondContact O-N 3.4Å; E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å |
| 6 | A | 88 | Confident | 89.9 | Confident | 41 Ų | 41 | 116.2 Ų | 116.2 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -150.7 | 65.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 Q2 E3 V8 | M1-A6 HydrophobicContact CE-CB 4.04Å; M1-A6 HydrophobicContact CG-CB 3.94Å; M1-A6 HydrophobicContact SD-CB 3.49Å; M1-A6 WeakPolarHBondContact SD-CB 3.49Å; Q2-A6 PolarHBondContact O-N 3.31Å; E3-A6 CarbonylContact O-C 3.57Å; E3-A6 PolarHBondContact O-N 3.44Å; A6-V8 PolarHBondContact O-N 2.56Å |
| 7 | S | 90 | Very high | 90.1 | Very high | 55 Ų | 55 | 112.4 Ų | 112.4 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | trans | -64.5 | 127.7 | 168.5 | 158.9 | 0 | 0 | 0 | 0 | 108.7 | E3 D9 H10 | E3-S7 WeakPolarHBondContact O-CA 3.49Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.22Å; S7-D9 WeakPolarHBondContact CB-OD2 3.48Å; S7-D9 PolarHBondContact OG-OD2 2.89Å; S7-H10 PolarHBondContact O-CE1 2.86Å; S7-H10 PolarHBondContact O-ND1 3.07Å | ||
| 8 | V | 91.6 | Very high | 90.3 | Very high | 70 Ų | 70 | 108 Ų | 108 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | trans | -109.9 | 5.6 | 177.7 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | A6 H10 I11 F13 | A6-V8 PolarHBondContact O-N 2.56Å; V8-H10 PolarHBondContact O-N 3.15Å; V8-I11 HydrophobicContact CB-CD1 4.45Å; V8-I11 HydrophobicContact CG1-CD1 4.41Å; V8-I11 WeakPolarHBondContact O-CA 3.49Å; V8-I11 WeakPolarHBondContact O-CB 3.38Å; V8-I11 PolarHBondContact O-N 3.39Å; V8-F13 HydrophobicContact CB-CE2 4.01Å; V8-F13 HydrophobicContact CB-CZ 3.94Å; V8-F13 HydrophobicContact CG1-CZ 4.27Å; V8-F13 HydrophobicContact CG2-CE2 4.07Å; V8-F13 HydrophobicContact CG2-CZ 4.29Å | ||
| 9 | D | 92.2 | Very high | 90.4 | Very high | 142 Ų | 142 | 107.5 Ų | 107.5 | 76% | 0.759 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -14.6 | -173.5 | -44.7 | -82.4 | 0 | 0 | 0 | 113.5 | S7 | S7-D9 WeakPolarHBondContact CB-OD2 3.48Å; S7-D9 PolarHBondContact OG-OD2 2.89Å |
| 10 | H | 91.7 | Very high | 90.4 | Very high | 150 Ų | 150 | 106 Ų | 106 | 69% | 0.694 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 0.3 | 173.7 | 67.3 | -84.6 | 0 | 0 | 0 | 113.4 | S7 V8 | S7-H10 PolarHBondContact O-CE1 2.86Å; S7-H10 PolarHBondContact O-ND1 3.07Å; V8-H10 PolarHBondContact O-N 3.15Å |
| 11 | I | 93.8 | Very high | 90.4 | Very high | 76 Ų | 76 | 106 Ų | 106 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | trans | -115.1 | 101.1 | -176.5 | -50.9 | 178.1 | 0 | 0 | 0 | 108.6 | V8 F13 | V8-I11 HydrophobicContact CB-CD1 4.45Å; V8-I11 HydrophobicContact CG1-CD1 4.41Å; V8-I11 WeakPolarHBondContact O-CA 3.49Å; V8-I11 WeakPolarHBondContact O-CB 3.38Å; V8-I11 PolarHBondContact O-N 3.39Å; I11-F13 HydrophobicContact CB-CE2 4.33Å; I11-F13 HydrophobicContact CB-CZ 4.34Å; I11-F13 HydrophobicContact CG2-CD1 4.47Å; I11-F13 HydrophobicContact CG2-CE1 4.2Å; I11-F13 HydrophobicContact CG2-CE2 4.39Å; I11-F13 HydrophobicContact CG2-CZ 4.16Å; I11-F13 WeakPolarHBondContact O-CD2 3.24Å; I11-F13 WeakPolarHBondContact O-CE2 3.25Å; I11-F13 PolarHBondContact O-N 3.14Å | ||
| 12 | K | 93.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 97 Ų | 97 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | trans | -73.7 | 115 | 170.2 | -170.6 | 169.1 | -174.7 | 84.1 | 0 | 109 | E16 I17 E20 | K12-E16 HydrophobicContact CG-CB 4.49Å; K12-E16 IonicContact NZ-OE1 2.7Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; K12-I17 HydrophobicContact CD-CD1 4.49Å; K12-I17 HydrophobicContact CD-CG1 4.04Å; K12-I17 HydrophobicContact CG-CD1 4.39Å; K12-I17 HydrophobicContact CG-CG1 4.03Å; K12-E20 WeakPolarHBondContact CE-OE2 3.47Å; K12-E20 IonicContact NZ-OE1 2.67Å; K12-E20 PolarHBondContact NZ-OE1 3.24Å; K12-E20 IonicContact NZ-OE2 2.64Å; K12-E20 PolarHBondContact NZ-OE2 2.93Å | ||
| 13 | F | 95.5 | Very high | 91.7 | Very high | 100 Ų | 100 | 96 Ų | 96 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | trans | -82.4 | 150.1 | -176.4 | -67.9 | -87.8 | 0 | 0 | 0 | 112 | V8 I11 L15 E16 I17 | V8-F13 HydrophobicContact CB-CE2 4.01Å; V8-F13 HydrophobicContact CB-CZ 3.94Å; V8-F13 HydrophobicContact CG1-CZ 4.27Å; V8-F13 HydrophobicContact CG2-CE2 4.07Å; V8-F13 HydrophobicContact CG2-CZ 4.29Å; I11-F13 HydrophobicContact CB-CE2 4.33Å; I11-F13 HydrophobicContact CB-CZ 4.34Å; I11-F13 HydrophobicContact CG2-CD1 4.47Å; I11-F13 HydrophobicContact CG2-CE1 4.2Å; I11-F13 HydrophobicContact CG2-CE2 4.39Å; I11-F13 HydrophobicContact CG2-CZ 4.16Å; I11-F13 WeakPolarHBondContact O-CD2 3.24Å; I11-F13 WeakPolarHBondContact O-CE2 3.25Å; I11-F13 PolarHBondContact O-N 3.14Å; F13-L15 PolarHBondContact O-N 3.06Å; F13-L15 VanDerWaalsContact O-N 3.14Å; F13-E16 VanDerWaalsContact O-CB 3.24Å; F13-E16 WeakPolarHBondContact O-CB 3.41Å; F13-E16 PolarHBondContact O-N 2.93Å; F13-I17 PolarHBondContact O-N 2.89Å | ||
| 14 | D | 95.2 | Very high | 91.7 | Very high | 141 Ų | 141 | 91.5 Ų | 91.5 | 75% | 0.754 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.6 | -33.1 | 174.1 | -63.2 | -47.1 | 0 | 0 | 0 | 112.6 | E16 I17 A18 | D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 3.48Å; D14-I17 PolarHBondContact O-N 3.5Å; D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.22Å; D14-A18 PolarHBondContact O-N 3.32Å |
| 15 | L | 93.8 | Very high | 91.8 | Very high | 130 Ų | 130 | 85.2 Ų | 85.2 | 68% | 0.681 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | 174.9 | 178.8 | 62.4 | 0 | 0 | 0 | 112.4 | F13 A18 V19 | F13-L15 PolarHBondContact O-N 3.06Å; F13-L15 VanDerWaalsContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 2.64Å; L15-V19 HydrophobicContact CD1-CG2 4.15Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 2.92Å |
| 16 | E | 94.3 | Very high | 91.8 | Very high | 79 Ų | 79 | 86.7 Ų | 86.7 | 37% | 0.369 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -50 | 179.1 | -166.8 | -171.5 | 138.8 | 0 | 0 | 109.8 | K12 F13 D14 A18 V19 E20 | K12-E16 HydrophobicContact CG-CB 4.49Å; K12-E16 IonicContact NZ-OE1 2.7Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; F13-E16 VanDerWaalsContact O-CB 3.24Å; F13-E16 WeakPolarHBondContact O-CB 3.41Å; F13-E16 PolarHBondContact O-N 2.93Å; D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 3.48Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 2.86Å; E16-V19 PolarHBondContact O-N 3.06Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.2Å; E16-E20 PolarHBondContact O-N 2.93Å |
| 17 | I | 93.4 | Very high | 91.9 | Very high | 52 Ų | 52 | 88.2 Ų | 88.2 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 175.3 | -59.4 | 171.1 | 0 | 0 | 0 | 110.6 | K12 F13 D14 V19 Q21 | K12-I17 HydrophobicContact CD-CD1 4.49Å; K12-I17 HydrophobicContact CD-CG1 4.04Å; K12-I17 HydrophobicContact CG-CD1 4.39Å; K12-I17 HydrophobicContact CG-CG1 4.03Å; F13-I17 PolarHBondContact O-N 2.89Å; D14-I17 PolarHBondContact O-N 3.5Å; I17-V19 PolarHBondContact O-N 3.24Å; I17-Q21 VanDerWaalsContact O-CB 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.36Å; I17-Q21 PolarHBondContact O-N 3.34Å |
| 18 | A | 93.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 86.8 Ų | 86.8 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -34.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D14 L15 E16 Q22 L23 | D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.22Å; D14-A18 PolarHBondContact O-N 3.32Å; L15-A18 PolarHBondContact O-N 2.64Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 2.86Å; A18-Q22 CarbonylContact O-C 3.42Å; A18-Q22 WeakPolarHBondContact O-CA 3.24Å; A18-Q22 PolarHBondContact O-N 2.97Å; A18-L23 HydrophobicContact CB-CB 4.34Å; A18-L23 HydrophobicContact CB-CD1 4.34Å; A18-L23 PolarHBondContact O-N 3.06Å |
| 19 | V | 92 | Very high | 91.7 | Very high | 98 Ų | 98 | 87.5 Ų | 87.5 | 59% | 0.594 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.9 | -49.3 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L15 E16 I17 Q21 Q22 | L15-V19 HydrophobicContact CD1-CG2 4.15Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 2.92Å; E16-V19 PolarHBondContact O-N 3.06Å; I17-V19 PolarHBondContact O-N 3.24Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; V19-Q21 PolarHBondContact O-N 2.97Å; V19-Q22 PolarHBondContact O-N 3.48Å; V19-Q22 VanDerWaalsContact O-N 3.12Å |
| 20 | E | 91.2 | Very high | 91.4 | Very high | 78 Ų | 78 | 87.2 Ų | 87.2 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 176.5 | -72.9 | 174.4 | 150.9 | 0 | 0 | 111.7 | K12 E16 Q22 | K12-E20 WeakPolarHBondContact CE-OE2 3.47Å; K12-E20 IonicContact NZ-OE1 2.67Å; K12-E20 PolarHBondContact NZ-OE1 3.24Å; K12-E20 IonicContact NZ-OE2 2.64Å; K12-E20 PolarHBondContact NZ-OE2 2.93Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.2Å; E16-E20 PolarHBondContact O-N 2.93Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.39Å |
| 21 | Q | 91 | Very high | 91.1 | Very high | 107 Ų | 107 | 85.1 Ų | 85.1 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.8 | -179 | -61.4 | -178.8 | 13.7 | 0 | 0 | 113.4 | I17 V19 L23 | I17-Q21 VanDerWaalsContact O-CB 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.36Å; I17-Q21 PolarHBondContact O-N 3.34Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; V19-Q21 PolarHBondContact O-N 2.97Å; Q21-L23 VanDerWaalsContact C-N 3.28Å; Q21-L23 HydrophobicContact CB-CD2 3.86Å; Q21-L23 HydrophobicContact CB-CG 3.9Å; Q21-L23 PolarHBondContact O-N 3.45Å |
| 22 | Q | 90.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 85.3 Ų | 85.3 | 6% | 0.061 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.4 | -177 | -56.2 | -178.4 | 0.9 | 0 | 0 | 114 | A18 V19 E20 A25 F43 F57 | A18-Q22 CarbonylContact O-C 3.42Å; A18-Q22 WeakPolarHBondContact O-CA 3.24Å; A18-Q22 PolarHBondContact O-N 2.97Å; V19-Q22 PolarHBondContact O-N 3.48Å; V19-Q22 VanDerWaalsContact O-N 3.12Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.39Å; Q22-A25 HydrophobicContact CB-CB 4.4Å; Q22-A25 WeakPolarHBondContact O-CB 3.33Å; Q22-A25 PolarHBondContact O-N 3Å; Q22-F43 HydrophobicContact CB-CE2 4.05Å; Q22-F43 HydrophobicContact CG-CD2 4.17Å; Q22-F43 HydrophobicContact CG-CE2 3.8Å; Q22-F57 HydrophobicContact CB-CE2 3.65Å; Q22-F57 HydrophobicContact CB-CZ 3.93Å; Q22-F57 HydrophobicContact CG-CD2 4.14Å; Q22-F57 HydrophobicContact CG-CE1 4.46Å; Q22-F57 HydrophobicContact CG-CE2 3.58Å; Q22-F57 HydrophobicContact CG-CZ 3.76Å |
| 23 | L | 90.4 | Very high | 90 | Very high | 106 Ų | 106 | 82.1 Ų | 82.1 | 56% | 0.555 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 145.4 | -179.1 | -57.4 | -176.5 | 0 | 0 | 0 | 111 | A18 Q21 A25 | A18-L23 HydrophobicContact CB-CB 4.34Å; A18-L23 HydrophobicContact CB-CD1 4.34Å; A18-L23 PolarHBondContact O-N 3.06Å; Q21-L23 VanDerWaalsContact C-N 3.28Å; Q21-L23 HydrophobicContact CB-CD2 3.86Å; Q21-L23 HydrophobicContact CB-CG 3.9Å; Q21-L23 PolarHBondContact O-N 3.45Å; L23-A25 PolarHBondContact O-N 2.67Å |
| 24 | G | 87.8 | Confident | 89.2 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 75% | 0.753 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -8.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q26 | G24-Q26 PolarHBondContact O-N 2.88Š|
| 25 | A | 89.2 | Confident | 88.7 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | trans | -75.3 | 88.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q22 L23 K51 P56 F57 | Q22-A25 HydrophobicContact CB-CB 4.4Å; Q22-A25 WeakPolarHBondContact O-CB 3.33Å; Q22-A25 PolarHBondContact O-N 3Å; L23-A25 PolarHBondContact O-N 2.67Å; A25-K51 PolarHBondContact O-NZ 2.77Å; A25-P56 HydrophobicContact CB-CG 4.16Å; A25-F57 HydrophobicContact CB-CE2 3.48Å; A25-F57 VanDerWaalsContact CB-CE2 3.48Å; A25-F57 HydrophobicContact CB-CZ 3.76Å | ||
| 26 | Q | 89.5 | Confident | 88.2 | Confident | 147 Ų | 147 | 69 Ų | 69 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 154.3 | 177.5 | -64.5 | -63.7 | -9.3 | 0 | 0 | 113.4 | G24 P56 | G24-Q26 PolarHBondContact O-N 2.88Å; Q26-P56 WeakPolarHBondContact O-CG 3.37Å |
| 27 | P | 89.9 | Confident | 87.6 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 153.4 | 170 | -20.4 | 33 | 0 | 0 | 0 | 112.3 | M54 | P27-M54 HydrophobicContact CB-CB 4.5Š|
| 28 | L | 89.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 140.3 | 175.2 | -67.7 | -175.5 | 0 | 0 | 0 | 112 | F30 M33 K35 M54 P56 | L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 3.29Å; L28-M33 HydrophobicContact CD1-CB 4.24Å; L28-M33 HydrophobicContact CD2-CE 3.83Å; L28-K35 HydrophobicContact CD1-CD 3.65Å; L28-K35 HydrophobicContact CD1-CG 4.05Å; L28-M54 PolarHBondContact N-O 3.21Å; L28-M54 WeakPolarHBondContact O-CE 3.33Å; L28-P56 HydrophobicContact CD2-CB 3.91Å; L28-P56 HydrophobicContact CG-CB 4.36Å |
| 29 | P | 88.5 | Confident | 87.2 | Confident | 85 Ų | 85 | 68 Ų | 68 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -68.8 | -22.6 | -178.1 | 27.5 | -35.6 | 0 | 0 | 0 | 113.7 | M33 | P29-M33 HydrophobicContact CG-CE 4.27Š|
| 30 | F | 85.9 | Confident | 87.2 | Confident | 137 Ų | 137 | 66.7 Ų | 66.7 | 60% | 0.601 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -138.4 | 135.6 | -178.6 | -55.8 | -66.9 | 0 | 0 | 0 | 111.5 | L28 | L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 3.29Å |
| 31 | P | 85.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 63 Ų | 63 | 69% | 0.688 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 146 | 171.1 | -24 | 34.5 | 0 | 0 | 0 | 112.6 | M33 | P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 3.25Å |
| 32 | G | 81 | Confident | 87.4 | Confident | 79 Ų | 79 | 62 Ų | 62 | 81% | 0.814 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 33 | M | 82.8 | Confident | 87.5 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | trans | -66.1 | 141.2 | 171.8 | -167.5 | 151.5 | 70.2 | 0 | 0 | 111.2 | L28 P29 P31 K35 F265 | L28-M33 HydrophobicContact CD1-CB 4.24Å; L28-M33 HydrophobicContact CD2-CE 3.83Å; P29-M33 HydrophobicContact CG-CE 4.27Å; P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 3.25Å; M33-K35 PolarHBondContact O-N 3.47Å; M33-F265 HydrophobicContact CE-CE2 4.4Å; M33-F265 HydrophobicContact CE-CZ 4.09Å; M33-F265 HydrophobicContact SD-CZ 3.94Å | ||
| 34 | D | 78.1 | Confident | 87.7 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 24% | 0.235 | 40% | 0.4 | C | S | . | . | trans | -68.5 | 126.1 | 178.8 | 174.1 | 29.3 | 0 | 0 | 0 | 110.7 | S36 K247 | D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 3.39Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; D34-K247 IonicContact OD2-NZ 2.77Å | ||
| 35 | K | 86.4 | Confident | 87.8 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | trans | -107.3 | 17.7 | -179.8 | -52.1 | -159.7 | -60.2 | -74.9 | 0 | 112.7 | L28 M33 G37 A38 C55 F57 R58 D80 | L28-K35 HydrophobicContact CD1-CD 3.65Å; L28-K35 HydrophobicContact CD1-CG 4.05Å; M33-K35 PolarHBondContact O-N 3.47Å; K35-G37 PolarHBondContact O-N 3.4Å; K35-A38 HydrophobicContact CB-CB 4.37Å; K35-A38 PolarHBondContact O-N 3.01Å; K35-C55 WeakPolarHBondContact CD-O 3.35Å; K35-C55 WeakPolarHBondContact CE-O 3.47Å; K35-F57 WeakPolarHBondContact CE-O 3.38Å; K35-R58 HydrophobicContact CB-CG 4.19Å; K35-R58 VanDerWaalsContact O-CD 3.24Å; K35-R58 WeakPolarHBondContact O-CD 3.2Å; K35-R58 WeakPolarHBondContact O-CG 3.29Å; K35-R58 PolarHBondContact O-NH1 3.01Å; K35-D80 WeakPolarHBondContact CE-OD2 3.48Å; K35-D80 IonicContact NZ-OD2 3.57Å; K35-D80 PolarHBondContact NZ-OD2 3.3Å | ||
| 36 | S | 81.5 | Confident | 88 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.3 | -171.4 | -66.4 | 0 | 0 | 0 | 0 | 115.7 | D34 H86 | D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 3.39Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; S36-H86 PolarHBondContact OG-ND1 2.87Å |
| 37 | G | 82.3 | Confident | 88.1 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 5.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K35 H262 | K35-G37 PolarHBondContact O-N 3.4Å; G37-H262 WeakPolarHBondContact CA-NE2 3.47Å; G37-H262 PolarHBondContact N-NE2 3.03Å |
| 38 | A | 89.1 | Confident | 88.3 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -87.1 | 155.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K35 P56 R58 | K35-A38 HydrophobicContact CB-CB 4.37Å; K35-A38 PolarHBondContact O-N 3.01Å; A38-P56 WeakPolarHBondContact CB-O 3.49Å; A38-R58 HydrophobicContact CB-CG 4.29Å; A38-R58 WeakPolarHBondContact O-CD 3.35Å; A38-R58 VanDerWaalsContact O-CG 3.27Å; A38-R58 WeakPolarHBondContact O-CG 3.36Å |
| 39 | A | 90.6 | Very high | 88.4 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 162 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F57 R58 | A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.38Å; A39-F57 CarbonylContact O-C 3.53Å; A39-F57 WeakPolarHBondContact O-CA 3.28Å; A39-F57 WeakPolarHBondContact O-CB 3.49Å; A39-R58 PolarHBondContact O-N 3.47Å |
| 40 | V | 91.2 | Very high | 88.5 | Confident | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 137.9 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | E42 I60 | V40-E42 PolarHBondContact O-N 2.92Å; V40-E42 VanDerWaalsContact O-N 3.12Å; V40-I60 HydrophobicContact CB-CD1 4.45Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.09Å; V40-I60 HydrophobicContact CG2-CD1 3.65Å; V40-I60 HydrophobicContact CG2-CG1 4.4Å |
| 41 | C | 93.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 43% | 0.43 | C | S | . | . | trans | -76.7 | 99.4 | 178.4 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | F43 F44 L45 C49 F57 R58 H59 | C41-F43 VanDerWaalsContact C-N 3.27Å; C41-F43 PolarHBondContact O-N 2.82Å; C41-F44 HydrophobicContact CB-CB 3.71Å; C41-F44 WeakPolarHBondContact O-CB 3.43Å; C41-F44 PolarHBondContact O-N 3.34Å; C41-F44 PolarHBondContact SG-N 3.12Å; C41-F44 VanDerWaalsContact SG-N 3.44Å; C41-L45 PolarHBondContact O-N 2.85Å; C41-L45 VanDerWaalsContact O-N 3.13Å; C41-C49 VanDerWaalsContact SG-SG 3.64Å; C41-F57 HydrophobicContact CB-CB 3.63Å; C41-R58 PolarHBondContact N-O 3.39Å; C41-H59 VanDerWaalsContact CB-CD2 3.47Å; C41-H59 WeakPolarHBondContact CB-CD2 3.2Å | ||
| 42 | E | 92.5 | Very high | 88.7 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.8 | -40.9 | 173.1 | -76 | -165.7 | -137.4 | 0 | 0 | 112.9 | V40 F44 L45 K46 | V40-E42 PolarHBondContact O-N 2.92Å; V40-E42 VanDerWaalsContact O-N 3.12Å; E42-F44 PolarHBondContact O-N 3.4Å; E42-L45 PolarHBondContact O-N 3.13Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.5Å; E42-K46 IonicContact OE2-NZ 2.88Å; E42-K46 PolarHBondContact OE2-NZ 2.97Å |
| 43 | F | 93.4 | Very high | 88.9 | Confident | 73 Ų | 73 | 62 Ų | 62 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -26.6 | 175.8 | -60.8 | -60.3 | 0 | 0 | 0 | 112.4 | Q22 C41 K46 A47 A48 C49 | Q22-F43 HydrophobicContact CB-CE2 4.05Å; Q22-F43 HydrophobicContact CG-CD2 4.17Å; Q22-F43 HydrophobicContact CG-CE2 3.8Å; C41-F43 VanDerWaalsContact C-N 3.27Å; C41-F43 PolarHBondContact O-N 2.82Å; F43-K46 CarbonylContact O-C 3.58Å; F43-A47 CarbonylContact O-C 3.54Å; F43-A47 PolarHBondContact O-N 3.15Å; F43-A48 CarbonylContact O-C 3.55Å; F43-A48 WeakPolarHBondContact O-CA 3.17Å; F43-A48 PolarHBondContact O-N 3.42Å; F43-C49 HydrophobicContact CB-CB 3.89Å; F43-C49 PolarHBondContact O-N 2.97Å |
| 44 | F | 93.4 | Very high | 89.2 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.3 | -42.1 | 174.3 | -175.8 | -101.1 | 0 | 0 | 0 | 111.1 | C41 E42 K46 A47 C49 H59 S61 | C41-F44 HydrophobicContact CB-CB 3.71Å; C41-F44 WeakPolarHBondContact O-CB 3.43Å; C41-F44 PolarHBondContact O-N 3.34Å; C41-F44 PolarHBondContact SG-N 3.12Å; C41-F44 VanDerWaalsContact SG-N 3.44Å; E42-F44 PolarHBondContact O-N 3.4Å; F44-K46 PolarHBondContact O-N 3.14Å; F44-A47 PolarHBondContact O-N 3.25Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.47Å; F44-H59 HydrophobicContact CD1-CB 3.77Å; F44-H59 AromaticContact CD1-CG 3.94Å; F44-H59 HydrophobicContact CD2-CB 4.18Å; F44-H59 AromaticContact CD2-CE1 3.52Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 AromaticContact CD2-ND1 3.25Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.08Å; F44-H59 HydrophobicContact CE1-CB 3.82Å; F44-H59 HydrophobicContact CE2-CB 4.23Å; F44-H59 AromaticContact CE2-ND1 3.53Å; F44-H59 HydrophobicContact CG-CB 3.95Å; F44-H59 AromaticContact CG-CD2 3.78Å; F44-H59 AromaticContact CG-CG 3.57Å; F44-H59 AromaticContact CG-ND1 3.73Å; F44-H59 HydrophobicContact CZ-CB 4.05Å; F44-S61 WeakPolarHBondContact CZ-OG 3.46Å |
| 45 | L | 91.6 | Very high | 89.8 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 75% | 0.754 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.4 | -34.4 | 173.3 | -172.3 | 64.5 | 0 | 0 | 0 | 112.1 | C41 E42 A47 | C41-L45 PolarHBondContact O-N 2.85Å; C41-L45 VanDerWaalsContact O-N 3.13Å; E42-L45 PolarHBondContact O-N 3.13Å; L45-A47 VanDerWaalsContact C-N 3.31Å |
| 46 | K | 93.4 | Very high | 90 | Very high | 133 Ų | 133 | 62.4 Ų | 62.4 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 10.9 | 174.3 | -63.9 | 163 | 178.4 | 167.8 | 0 | 113.4 | E42 F43 F44 A48 | E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.5Å; E42-K46 IonicContact OE2-NZ 2.88Å; E42-K46 PolarHBondContact OE2-NZ 2.97Å; F43-K46 CarbonylContact O-C 3.58Å; F44-K46 PolarHBondContact O-N 3.14Å; K46-A48 PolarHBondContact O-N 2.85Å |
| 47 | A | 91.3 | Very high | 90.6 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 80% | 0.802 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 16.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | F43 F44 L45 | F43-A47 CarbonylContact O-C 3.54Å; F43-A47 PolarHBondContact O-N 3.15Å; F44-A47 PolarHBondContact O-N 3.25Å; L45-A47 VanDerWaalsContact C-N 3.31Å |
| 48 | A | 93.3 | Very high | 91 | Very high | 70 Ų | 70 | 61.7 Ų | 61.7 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | trans | -104.2 | 2.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F43 K46 G50 | F43-A48 CarbonylContact O-C 3.55Å; F43-A48 WeakPolarHBondContact O-CA 3.17Å; F43-A48 PolarHBondContact O-N 3.42Å; K46-A48 PolarHBondContact O-N 2.85Å; A48-G50 PolarHBondContact O-N 2.76Å | ||
| 49 | C | 92.1 | Very high | 91.1 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -75.3 | 89.9 | -173.5 | 179.5 | 0 | 0 | 0 | 0 | 114.2 | C41 F43 F44 K51 H59 | C41-C49 VanDerWaalsContact SG-SG 3.64Å; F43-C49 HydrophobicContact CB-CB 3.89Å; F43-C49 PolarHBondContact O-N 2.97Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.47Å; C49-K51 PolarHBondContact O-N 3.4Å; C49-K51 VanDerWaalsContact O-N 3.13Å; C49-H59 PolarHBondContact SG-NE2 3.12Å; C49-H59 VanDerWaalsContact SG-NE2 3.39Å | ||
| 50 | G | 89.9 | Confident | 91 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A48 G52 | A48-G50 PolarHBondContact O-N 2.76Å; G50-G52 PolarHBondContact O-N 3.44Å |
| 51 | K | 88.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.1 | -178.8 | -58.3 | -179 | -174.1 | 176.4 | 0 | 114.2 | A25 C49 M54 C55 | A25-K51 PolarHBondContact O-NZ 2.77Å; C49-K51 PolarHBondContact O-N 3.4Å; C49-K51 VanDerWaalsContact O-N 3.13Å; K51-M54 CarbonylContact O-C 3.2Å; K51-M54 PolarHBondContact O-N 3.29Å; K51-C55 HydrophobicContact CB-CB 3.72Å; K51-C55 PolarHBondContact O-N 3.48Å |
| 52 | G | 86.5 | Confident | 90.1 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 37% | 0.371 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | 53.9 | -143.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | G50 M54 C55 H59 | G50-G52 PolarHBondContact O-N 3.44Å; G52-M54 PolarHBondContact O-N 3Å; G52-C55 WeakPolarHBondContact O-CB 3.37Å; G52-C55 PolarHBondContact O-N 3.39Å; G52-H59 PolarHBondContact O-CE1 2.86Å |
| 53 | G | 85.6 | Confident | 89.8 | Confident | 67 Ų | 67 | 70 Ų | 70 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -68.3 | -12.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 54 | M | 88.8 | Confident | 89.6 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 41% | 0.414 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -95 | 6.4 | 177.9 | -65.3 | 176.9 | 68 | 0 | 0 | 113 | P27 L28 K51 G52 | P27-M54 HydrophobicContact CB-CB 4.5Å; L28-M54 PolarHBondContact N-O 3.21Å; L28-M54 WeakPolarHBondContact O-CE 3.33Å; K51-M54 CarbonylContact O-C 3.2Å; K51-M54 PolarHBondContact O-N 3.29Å; G52-M54 PolarHBondContact O-N 3Å |
| 55 | C | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 44% | 0.444 | C | S | . | . | trans | -57.5 | 132.7 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 111 | K35 K51 G52 F57 H59 | K35-C55 WeakPolarHBondContact CD-O 3.35Å; K35-C55 WeakPolarHBondContact CE-O 3.47Å; K51-C55 HydrophobicContact CB-CB 3.72Å; K51-C55 PolarHBondContact O-N 3.48Å; G52-C55 WeakPolarHBondContact O-CB 3.37Å; G52-C55 PolarHBondContact O-N 3.39Å; C55-F57 PolarHBondContact O-N 3.04Å; C55-H59 WeakPolarHBondContact CB-NE2 3.35Å; C55-H59 PolarHBondContact SG-NE2 2.62Å | ||
| 56 | P | 91.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 17% | 0.169 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -73.7 | -12.1 | 176.8 | 31.6 | -37.4 | 0 | 0 | 0 | 113.7 | A25 Q26 L28 A38 | A25-P56 HydrophobicContact CB-CG 4.16Å; Q26-P56 WeakPolarHBondContact O-CG 3.37Å; L28-P56 HydrophobicContact CD2-CB 3.91Å; L28-P56 HydrophobicContact CG-CB 4.36Å; A38-P56 WeakPolarHBondContact CB-O 3.49Å |
| 57 | F | 92.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 17% | 0.171 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -98.8 | 150.1 | 179.6 | -60.6 | -79.7 | 0 | 0 | 0 | 112.2 | Q22 A25 K35 A39 C41 C55 H59 | Q22-F57 HydrophobicContact CB-CE2 3.65Å; Q22-F57 HydrophobicContact CB-CZ 3.93Å; Q22-F57 HydrophobicContact CG-CD2 4.14Å; Q22-F57 HydrophobicContact CG-CE1 4.46Å; Q22-F57 HydrophobicContact CG-CE2 3.58Å; Q22-F57 HydrophobicContact CG-CZ 3.76Å; A25-F57 HydrophobicContact CB-CE2 3.48Å; A25-F57 VanDerWaalsContact CB-CE2 3.48Å; A25-F57 HydrophobicContact CB-CZ 3.76Å; K35-F57 WeakPolarHBondContact CE-O 3.38Å; A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.38Å; A39-F57 CarbonylContact O-C 3.53Å; A39-F57 WeakPolarHBondContact O-CA 3.28Å; A39-F57 WeakPolarHBondContact O-CB 3.49Å; C41-F57 HydrophobicContact CB-CB 3.63Å; C55-F57 PolarHBondContact O-N 3.04Å; F57-H59 PolarHBondContact O-CD2 3.02Å; F57-H59 PolarHBondContact O-N 2.92Å |
| 58 | R | 91.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.109 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 126.9 | -178.3 | -62.6 | -175.6 | 56.4 | 51.3 | 10.1 | 111.5 | K35 A38 A39 C41 D80 | K35-R58 HydrophobicContact CB-CG 4.19Å; K35-R58 VanDerWaalsContact O-CD 3.24Å; K35-R58 WeakPolarHBondContact O-CD 3.2Å; K35-R58 WeakPolarHBondContact O-CG 3.29Å; K35-R58 PolarHBondContact O-NH1 3.01Å; A38-R58 HydrophobicContact CB-CG 4.29Å; A38-R58 WeakPolarHBondContact O-CD 3.35Å; A38-R58 VanDerWaalsContact O-CG 3.27Å; A38-R58 WeakPolarHBondContact O-CG 3.36Å; A39-R58 PolarHBondContact O-N 3.47Å; C41-R58 PolarHBondContact N-O 3.39Å; R58-D80 IonicContact CZ-OD1 2.72Å; R58-D80 IonicContact NH1-OD1 3.16Å; R58-D80 PolarHBondContact NH1-OD1 3.39Å; R58-D80 IonicContact NH2-OD1 3.87Å |
| 59 | H | 91.1 | Very high | 89.8 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | trans | -95.2 | 111.7 | 170 | -71.7 | -167.2 | 0 | 0 | 0 | 108.6 | C41 F44 C49 G52 C55 F57 S61 D80 | C41-H59 VanDerWaalsContact CB-CD2 3.47Å; C41-H59 WeakPolarHBondContact CB-CD2 3.2Å; F44-H59 HydrophobicContact CD1-CB 3.77Å; F44-H59 AromaticContact CD1-CG 3.94Å; F44-H59 HydrophobicContact CD2-CB 4.18Å; F44-H59 AromaticContact CD2-CE1 3.52Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 AromaticContact CD2-ND1 3.25Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.08Å; F44-H59 HydrophobicContact CE1-CB 3.82Å; F44-H59 HydrophobicContact CE2-CB 4.23Å; F44-H59 AromaticContact CE2-ND1 3.53Å; F44-H59 HydrophobicContact CG-CB 3.95Å; F44-H59 AromaticContact CG-CD2 3.78Å; F44-H59 AromaticContact CG-CG 3.57Å; F44-H59 AromaticContact CG-ND1 3.73Å; F44-H59 HydrophobicContact CZ-CB 4.05Å; C49-H59 PolarHBondContact SG-NE2 3.12Å; C49-H59 VanDerWaalsContact SG-NE2 3.39Å; G52-H59 PolarHBondContact O-CE1 2.86Å; C55-H59 WeakPolarHBondContact CB-NE2 3.35Å; C55-H59 PolarHBondContact SG-NE2 2.62Å; F57-H59 PolarHBondContact O-CD2 3.02Å; F57-H59 PolarHBondContact O-N 2.92Å; H59-S61 PolarHBondContact O-N 3.46Å; H59-D80 PolarHBondContact N-OD2 3.18Å; H59-D80 WeakPolarHBondContact O-CB 3.47Å | ||
| 60 | I | 88.7 | Confident | 89.9 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 36% | 0.359 | 37% | 0.368 | S | S | . | . | trans | -92.4 | 100.9 | 177.3 | -58.3 | -177.8 | 0 | 0 | 0 | 108.5 | V40 | V40-I60 HydrophobicContact CB-CD1 4.45Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.09Å; V40-I60 HydrophobicContact CG2-CD1 3.65Å; V40-I60 HydrophobicContact CG2-CG1 4.4Å | ||
| 61 | S | 83.2 | Confident | 90.1 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 51% | 0.51 | 34% | 0.337 | S | S | . | . | trans | -99.5 | 133.4 | 170.1 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | F44 H59 K64 | F44-S61 WeakPolarHBondContact CZ-OG 3.46Å; H59-S61 PolarHBondContact O-N 3.46Å; S61-K64 PolarHBondContact O-NZ 3.46Å | ||
| 62 | G | 83.1 | Confident | 90.2 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 70.7 | 154.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | K64 | G62-K64 PolarHBondContact O-NZ 2.9Š|
| 63 | E | 85.5 | Confident | 90.4 | Very high | 198 Ų | 198 | 65 Ų | 65 | 93% | 0.925 | 35% | 0.35 | S | S | * | . | trans | -70.6 | 136.3 | 168.4 | -67.2 | 172.6 | -156.4 | 0 | 0 | 110 | ||||
| 64 | K | 89.2 | Confident | 90.6 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | trans | -129.7 | 121.1 | -177.3 | -71.8 | 170.8 | -67.5 | -62.5 | 0 | 109.2 | S61 G62 C82 L85 | S61-K64 PolarHBondContact O-NZ 3.46Å; G62-K64 PolarHBondContact O-NZ 2.9Å; K64-C82 VanDerWaalsContact CD-O 3.29Å; K64-C82 WeakPolarHBondContact CD-O 3.27Å; K64-L85 HydrophobicContact CB-CB 4.08Å; K64-L85 HydrophobicContact CB-CD1 3.86Å | ||
| 65 | T | 91.8 | Very high | 90.6 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | trans | -91.8 | -22.8 | -163.1 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | K92 | T65-K92 WeakPolarHBondContact O-CB 3.22Š| ||
| 66 | V | 93.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -132.6 | 136 | -171.6 | 178.6 | 0 | 0 | 0 | 0 | 111 | F84 L85 K92 P94 | V66-F84 HydrophobicContact CB-CD1 4.37Å; V66-F84 HydrophobicContact CG1-CD1 4.48Å; V66-F84 CarbonylContact O-C 3.52Å; V66-F84 WeakPolarHBondContact O-CA 3.24Å; V66-L85 PolarHBondContact O-N 3.31Å; V66-K92 CarbonylContact C-O 3.56Å; V66-K92 WeakPolarHBondContact CA-O 3.47Å; V66-P94 HydrophobicContact CG1-CB 3.77Å; V66-P94 HydrophobicContact CG1-CG 4.04Å |
| 67 | V | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 137.2 | -176.6 | 179 | 0 | 0 | 0 | 0 | 113 | K69 W71 L72 L85 E87 D89 K92 M93 P94 | V67-K69 PolarHBondContact O-N 2.84Å; V67-K69 VanDerWaalsContact O-N 3.13Å; V67-W71 HydrophobicContact CG1-CE3 4.34Å; V67-W71 HydrophobicContact CG1-CZ3 4.43Å; V67-L72 HydrophobicContact CG1-CD1 3.85Å; V67-L72 HydrophobicContact CG1-CD2 3.98Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; V67-L85 HydrophobicContact CG2-CD2 4.41Å; V67-E87 WeakPolarHBondContact CG1-O 3.34Å; V67-E87 WeakPolarHBondContact CG2-O 3.45Å; V67-D89 HydrophobicContact CG2-CB 4.44Å; V67-D89 WeakPolarHBondContact CG2-O 3.05Å; V67-K92 HydrophobicContact CG2-CB 4.03Å; V67-K92 PolarHBondContact N-O 3.02Å; V67-M93 HydrophobicContact CB-SD 4.3Å; V67-M93 HydrophobicContact CG1-CE 4.34Å; V67-M93 HydrophobicContact CG1-SD 4.36Å; V67-P94 WeakPolarHBondContact O-CD 3.05Å |
| 68 | C | 94 | Very high | 90.3 | Very high | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | trans | -72.9 | 102.5 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | H70 W71 L72 C82 F84 L85 | C68-H70 PolarHBondContact O-N 3.44Å; C68-W71 HydrophobicContact CB-CB 3.7Å; C68-W71 PolarHBondContact O-N 3.49Å; C68-W71 PolarHBondContact SG-N 3.29Å; C68-W71 VanDerWaalsContact SG-N 3.42Å; C68-L72 PolarHBondContact O-N 2.95Å; C68-L72 VanDerWaalsContact O-N 3.17Å; C68-C82 VanDerWaalsContact SG-SG 3.64Å; C68-F84 HydrophobicContact CB-CB 3.51Å; C68-L85 VanDerWaalsContact CB-O 3.27Å; C68-L85 WeakPolarHBondContact CB-O 3.43Å; C68-L85 PolarHBondContact N-O 2.94Å | ||
| 69 | K | 93.8 | Very high | 90 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -26.1 | 173.1 | -177.5 | 174.1 | 178.8 | 177 | 0 | 114.8 | V67 F112 | V67-K69 PolarHBondContact O-N 2.84Å; V67-K69 VanDerWaalsContact O-N 3.13Å; K69-F112 HydrophobicContact CD-CE1 4.43Å; K69-F112 HydrophobicContact CD-CZ 4.35Å; K69-F112 HydrophobicContact CG-CE1 4.3Å; K69-F112 HydrophobicContact CG-CZ 4.17Å |
| 70 | H | 93.3 | Very high | 89.7 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -32.1 | 177.9 | -57.9 | 108.1 | 0 | 0 | 0 | 113.1 | C68 R73 G74 L75 C76 | C68-H70 PolarHBondContact O-N 3.44Å; H70-R73 PolarHBondContact O-N 3.17Å; H70-G74 PolarHBondContact O-N 2.95Å; H70-L75 PolarHBondContact O-N 3.15Å; H70-C76 HydrophobicContact CB-CB 4.18Å; H70-C76 PolarHBondContact O-N 2.67Å |
| 71 | W | 93.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 79 Ų | 79 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -69.2 | -39.5 | 176 | 171.4 | 79.8 | 0 | 0 | 0 | 111.6 | V67 C68 R73 G74 C76 H86 E87 | V67-W71 HydrophobicContact CG1-CE3 4.34Å; V67-W71 HydrophobicContact CG1-CZ3 4.43Å; C68-W71 HydrophobicContact CB-CB 3.7Å; C68-W71 PolarHBondContact O-N 3.49Å; C68-W71 PolarHBondContact SG-N 3.29Å; C68-W71 VanDerWaalsContact SG-N 3.42Å; W71-R73 PolarHBondContact O-N 2.59Å; W71-G74 PolarHBondContact O-N 3.45Å; W71-C76 HydrophobicContact CB-CB 4.12Å; W71-H86 AromaticContact CD1-CE1 3.85Å; W71-H86 AromaticContact CD1-CG 3.47Å; W71-H86 VanDerWaalsContact CD1-CG 3.47Å; W71-H86 AromaticContact CD1-ND1 3.29Å; W71-H86 VanDerWaalsContact CD1-ND1 3.29Å; W71-H86 HydrophobicContact CD2-CB 4.02Å; W71-H86 HydrophobicContact CG-CB 3.92Å; W71-H86 AromaticContact CG-CD2 3.86Å; W71-H86 AromaticContact CG-CG 3.6Å; W71-H86 AromaticContact CG-ND1 3.81Å; W71-H86 VanDerWaalsContact CZ2-O 3.25Å; W71-H86 WeakPolarHBondContact CZ2-O 3.38Å; W71-H86 AromaticContact NE1-ND1 3.97Å; W71-E87 VanDerWaalsContact CH2-C 3.42Å; W71-E87 WeakPolarHBondContact CZ3-O 3.48Å |
| 72 | L | 91.8 | Very high | 90 | Very high | 58 Ų | 58 | 76 Ų | 76 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -56.5 | -12 | 172.2 | -66.3 | 171.3 | 0 | 0 | 0 | 114.5 | V67 C68 Y88 M93 | V67-L72 HydrophobicContact CG1-CD1 3.85Å; V67-L72 HydrophobicContact CG1-CD2 3.98Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; C68-L72 PolarHBondContact O-N 2.95Å; C68-L72 VanDerWaalsContact O-N 3.17Å; L72-Y88 HydrophobicContact CD2-CD2 3.87Å; L72-Y88 HydrophobicContact CD2-CE2 4.25Å; L72-M93 HydrophobicContact CD1-CE 3.68Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.33Å; L72-M93 HydrophobicContact CD2-CE 4.36Å |
| 73 | R | 90.3 | Very high | 90.4 | Very high | 173 Ų | 173 | 78.8 Ų | 78.8 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -112.6 | 1.3 | 176.4 | -61.9 | -179.6 | 174.8 | -166.5 | -5.9 | 113.2 | H70 W71 L75 | H70-R73 PolarHBondContact O-N 3.17Å; W71-R73 PolarHBondContact O-N 2.59Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.12Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 WeakPolarHBondContact O-CG 3.22Å; R73-L75 PolarHBondContact O-N 3.33Å |
| 74 | G | 89.1 | Confident | 90.8 | Very high | 36 Ų | 36 | 74 Ų | 74 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H70 W71 K247 | H70-G74 PolarHBondContact O-N 2.95Å; W71-G74 PolarHBondContact O-N 3.45Å; G74-K247 PolarHBondContact O-NZ 2.83Å |
| 75 | L | 89.9 | Confident | 90.9 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | trans | -114.6 | 10.1 | -170 | -59.3 | -179.1 | 0 | 0 | 0 | 114.6 | H70 R73 K77 N256 | H70-L75 PolarHBondContact O-N 3.15Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.12Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 WeakPolarHBondContact O-CG 3.22Å; R73-L75 PolarHBondContact O-N 3.33Å; L75-K77 PolarHBondContact O-N 2.68Å; L75-K77 VanDerWaalsContact O-N 3.17Å; L75-N256 HydrophobicContact CD2-CB 4.38Å; L75-N256 WeakPolarHBondContact CD2-OD1 3.42Å | ||
| 76 | C | 91 | Very high | 90.8 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 32% | 0.321 | C | S | . | . | trans | -73.4 | 109.5 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 112 | H70 W71 K78 C82 H86 | H70-C76 HydrophobicContact CB-CB 4.18Å; H70-C76 PolarHBondContact O-N 2.67Å; W71-C76 HydrophobicContact CB-CB 4.12Å; C76-K78 VanDerWaalsContact C-N 3.35Å; C76-C82 VanDerWaalsContact SG-SG 3.67Å; C76-H86 VanDerWaalsContact SG-CE1 3.51Å; C76-H86 PolarHBondContact SG-NE2 3.39Å | ||
| 77 | K | 88 | Confident | 90.6 | Very high | 203 Ų | 203 | 70.1 Ų | 70.1 | 88% | 0.883 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.6 | 176.2 | -64 | -172.4 | 178.6 | -175.3 | 0 | 114.7 | L75 G79 | L75-K77 PolarHBondContact O-N 2.68Å; L75-K77 VanDerWaalsContact O-N 3.17Å; K77-G79 VanDerWaalsContact C-N 3.34Å |
| 78 | K | 88.6 | Confident | 90.5 | Very high | 98 Ų | 98 | 78 Ų | 78 | 43% | 0.426 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18 | 178.5 | -67.2 | -165.2 | 175.2 | -173.1 | 0 | 113 | C76 D80 Q81 C82 E83 | C76-K78 VanDerWaalsContact C-N 3.35Å; K78-D80 PolarHBondContact O-N 2.87Å; K78-Q81 WeakPolarHBondContact O-CA 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 2.82Å; K78-C82 HydrophobicContact CB-CB 3.84Å; K78-E83 IonicContact NZ-OE1 3.96Å; K78-E83 PolarHBondContact NZ-OE1 3.26Å; K78-E83 IonicContact NZ-OE2 2.71Å; K78-E83 PolarHBondContact NZ-OE2 3.24Å |
| 79 | G | 85.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 79.8 Ų | 79.8 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | 53.5 | -121 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K77 Q81 H86 | K77-G79 VanDerWaalsContact C-N 3.34Å; G79-Q81 VanDerWaalsContact C-N 3.33Å; G79-H86 PolarHBondContact O-CE1 3.33Å |
| 80 | D | 86 | Confident | 90.3 | Very high | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -73.4 | -21.8 | 177.8 | -64.5 | -6 | 0 | 0 | 0 | 113.6 | K35 R58 H59 K78 C82 | K35-D80 WeakPolarHBondContact CE-OD2 3.48Å; K35-D80 IonicContact NZ-OD2 3.57Å; K35-D80 PolarHBondContact NZ-OD2 3.3Å; R58-D80 IonicContact CZ-OD1 2.72Å; R58-D80 IonicContact NH1-OD1 3.16Å; R58-D80 PolarHBondContact NH1-OD1 3.39Å; R58-D80 IonicContact NH2-OD1 3.87Å; H59-D80 PolarHBondContact N-OD2 3.18Å; H59-D80 WeakPolarHBondContact O-CB 3.47Å; K78-D80 PolarHBondContact O-N 2.87Å; D80-C82 PolarHBondContact O-N 3.35Å |
| 81 | Q | 86.8 | Confident | 90.2 | Very high | 172 Ų | 172 | 77.9 Ų | 77.9 | 80% | 0.804 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -86.3 | 22.2 | 179.7 | -58.1 | 178.2 | -5 | 0 | 0 | 112.3 | K78 G79 | K78-Q81 WeakPolarHBondContact O-CA 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 2.82Å; G79-Q81 VanDerWaalsContact C-N 3.33Å |
| 82 | C | 91 | Very high | 90.1 | Very high | 12 Ų | 12 | 79.3 Ų | 79.3 | 8% | 0.081 | 38% | 0.377 | C | S | . | . | trans | -82.8 | 132 | 176.7 | -156.3 | 0 | 0 | 0 | 0 | 110.6 | K64 C68 C76 K78 D80 F84 H86 | K64-C82 VanDerWaalsContact CD-O 3.29Å; K64-C82 WeakPolarHBondContact CD-O 3.27Å; C68-C82 VanDerWaalsContact SG-SG 3.64Å; C76-C82 VanDerWaalsContact SG-SG 3.67Å; K78-C82 HydrophobicContact CB-CB 3.84Å; D80-C82 PolarHBondContact O-N 3.35Å; C82-F84 PolarHBondContact O-N 3.17Å; C82-H86 WeakPolarHBondContact CB-NE2 3.19Å | ||
| 83 | E | 91.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 76.8 Ų | 76.8 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -70 | -10.9 | 172.3 | -49.2 | 90.8 | 165.7 | 0 | 0 | 112.5 | K78 | K78-E83 IonicContact NZ-OE1 3.96Å; K78-E83 PolarHBondContact NZ-OE1 3.26Å; K78-E83 IonicContact NZ-OE2 2.71Å; K78-E83 PolarHBondContact NZ-OE2 3.24Å |
| 84 | F | 93.5 | Very high | 90.4 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -106.5 | 147.3 | -177.2 | -59.4 | -81.4 | 0 | 0 | 0 | 111.4 | V66 C68 C82 H86 | V66-F84 HydrophobicContact CB-CD1 4.37Å; V66-F84 HydrophobicContact CG1-CD1 4.48Å; V66-F84 CarbonylContact O-C 3.52Å; V66-F84 WeakPolarHBondContact O-CA 3.24Å; C68-F84 HydrophobicContact CB-CB 3.51Å; C82-F84 PolarHBondContact O-N 3.17Å; F84-H86 PolarHBondContact O-CD2 2.87Å |
| 85 | L | 91.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -66.9 | 134 | -175.1 | -166.1 | 68.8 | 0 | 0 | 0 | 111.5 | K64 V66 V67 C68 E87 K92 | K64-L85 HydrophobicContact CB-CB 4.08Å; K64-L85 HydrophobicContact CB-CD1 3.86Å; V66-L85 PolarHBondContact O-N 3.31Å; V67-L85 HydrophobicContact CG2-CD2 4.41Å; C68-L85 VanDerWaalsContact CB-O 3.27Å; C68-L85 WeakPolarHBondContact CB-O 3.43Å; C68-L85 PolarHBondContact N-O 2.94Å; L85-E87 HydrophobicContact CD1-CG 4.21Å; L85-E87 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E87 HydrophobicContact CD2-CB 3.99Å; L85-E87 HydrophobicContact CG-CB 3.86Å; L85-E87 HydrophobicContact CG-CG 4.08Å; L85-K92 HydrophobicContact CD2-CD 3.78Å |
| 86 | H | 90.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 68.8 Ų | 68.8 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | trans | -103 | 49.9 | 176.6 | -79.8 | -153.4 | 0 | 0 | 0 | 110.1 | S36 W71 C76 G79 C82 F84 | S36-H86 PolarHBondContact OG-ND1 2.87Å; W71-H86 AromaticContact CD1-CE1 3.85Å; W71-H86 AromaticContact CD1-CG 3.47Å; W71-H86 VanDerWaalsContact CD1-CG 3.47Å; W71-H86 AromaticContact CD1-ND1 3.29Å; W71-H86 VanDerWaalsContact CD1-ND1 3.29Å; W71-H86 HydrophobicContact CD2-CB 4.02Å; W71-H86 HydrophobicContact CG-CB 3.92Å; W71-H86 AromaticContact CG-CD2 3.86Å; W71-H86 AromaticContact CG-CG 3.6Å; W71-H86 AromaticContact CG-ND1 3.81Å; W71-H86 VanDerWaalsContact CZ2-O 3.25Å; W71-H86 WeakPolarHBondContact CZ2-O 3.38Å; W71-H86 AromaticContact NE1-ND1 3.97Å; C76-H86 VanDerWaalsContact SG-CE1 3.51Å; C76-H86 PolarHBondContact SG-NE2 3.39Å; G79-H86 PolarHBondContact O-CE1 3.33Å; C82-H86 WeakPolarHBondContact CB-NE2 3.19Å; F84-H86 PolarHBondContact O-CD2 2.87Å | ||
| 87 | E | 89.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -137.2 | 148.8 | -178.2 | -64.1 | 160.9 | -152.8 | 0 | 0 | 109.1 | V67 W71 L85 D89 | V67-E87 WeakPolarHBondContact CG1-O 3.34Å; V67-E87 WeakPolarHBondContact CG2-O 3.45Å; W71-E87 VanDerWaalsContact CH2-C 3.42Å; W71-E87 WeakPolarHBondContact CZ3-O 3.48Å; L85-E87 HydrophobicContact CD1-CG 4.21Å; L85-E87 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E87 HydrophobicContact CD2-CB 3.99Å; L85-E87 HydrophobicContact CG-CB 3.86Å; L85-E87 HydrophobicContact CG-CG 4.08Å; E87-D89 PolarHBondContact O-N 3.44Å; E87-D89 VanDerWaalsContact O-N 3.15Å |
| 88 | Y | 91.1 | Very high | 91.1 | Very high | 168 Ų | 168 | 71 Ų | 71 | 66% | 0.659 | 33% | 0.332 | S | S | * | . | trans | -89.8 | 73.5 | -176.3 | -169.4 | -97.4 | 0 | 0 | 0 | 110.9 | L72 M90 | L72-Y88 HydrophobicContact CD2-CD2 3.87Å; L72-Y88 HydrophobicContact CD2-CE2 4.25Å; Y88-M90 HydrophobicContact CD1-CE 3.71Å; Y88-M90 HydrophobicContact CD2-CE 3.65Å; Y88-M90 HydrophobicContact CE1-CE 3.48Å; Y88-M90 VanDerWaalsContact CE1-CE 3.48Å; Y88-M90 HydrophobicContact CE1-CG 4.38Å; Y88-M90 HydrophobicContact CE1-SD 3.95Å; Y88-M90 HydrophobicContact CE2-CE 3.43Å; Y88-M90 VanDerWaalsContact CE2-CE 3.43Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 HydrophobicContact CG-CE 3.78Å | ||
| 89 | D | 92.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | trans | -111.2 | 113.9 | 176.7 | -175.2 | -16.5 | 0 | 0 | 0 | 110.7 | V67 E87 T91 K92 M93 | V67-D89 HydrophobicContact CG2-CB 4.44Å; V67-D89 WeakPolarHBondContact CG2-O 3.05Å; E87-D89 PolarHBondContact O-N 3.44Å; E87-D89 VanDerWaalsContact O-N 3.15Å; D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.28Å; D89-T91 WeakPolarHBondContact OD1-CA 3.02Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å; D89-K92 HydrophobicContact CB-CB 4.23Å; D89-K92 HydrophobicContact CB-CG 4.43Å; D89-K92 PolarHBondContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.34Å; D89-K92 WeakPolarHBondContact OD2-CD 2.94Å; D89-K92 WeakPolarHBondContact OD2-CG 3.38Å; D89-K92 IonicContact OD2-NZ 3.54Å; D89-K92 PolarHBondContact OD2-NZ 2.97Å; D89-M93 PolarHBondContact O-N 2.72Å | ||
| 90 | M | 90.8 | Very high | 91.5 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -71.1 | -26.4 | -179.3 | -58.8 | -58.1 | 90.3 | 0 | 0 | 112.6 | Y88 K92 M93 | Y88-M90 HydrophobicContact CD1-CE 3.71Å; Y88-M90 HydrophobicContact CD2-CE 3.65Å; Y88-M90 HydrophobicContact CE1-CE 3.48Å; Y88-M90 VanDerWaalsContact CE1-CE 3.48Å; Y88-M90 HydrophobicContact CE1-CG 4.38Å; Y88-M90 HydrophobicContact CE1-SD 3.95Å; Y88-M90 HydrophobicContact CE2-CE 3.43Å; Y88-M90 VanDerWaalsContact CE2-CE 3.43Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 HydrophobicContact CG-CE 3.78Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 3.17Å; M90-M93 HydrophobicContact CE-CE 3.31Å; M90-M93 WeakPolarHBondContact O-CB 3.12Å; M90-M93 PolarHBondContact O-N 3.13Å; M90-M93 HydrophobicContact SD-CE 3.96Å |
| 91 | T | 91.2 | Very high | 91.6 | Very high | 111 Ų | 111 | 75.6 Ų | 75.6 | 68% | 0.681 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -26.3 | 177.4 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | D89 | D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.28Å; D89-T91 WeakPolarHBondContact OD1-CA 3.02Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å |
| 92 | K | 92.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 73.7 Ų | 73.7 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.5 | 178.2 | -62.7 | -173.4 | -171.3 | 91.7 | 0 | 113.3 | T65 V66 V67 L85 D89 M90 | T65-K92 WeakPolarHBondContact O-CB 3.22Å; V66-K92 CarbonylContact C-O 3.56Å; V66-K92 WeakPolarHBondContact CA-O 3.47Å; V67-K92 HydrophobicContact CG2-CB 4.03Å; V67-K92 PolarHBondContact N-O 3.02Å; L85-K92 HydrophobicContact CD2-CD 3.78Å; D89-K92 HydrophobicContact CB-CB 4.23Å; D89-K92 HydrophobicContact CB-CG 4.43Å; D89-K92 PolarHBondContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.34Å; D89-K92 WeakPolarHBondContact OD2-CD 2.94Å; D89-K92 WeakPolarHBondContact OD2-CG 3.38Å; D89-K92 IonicContact OD2-NZ 3.54Å; D89-K92 PolarHBondContact OD2-NZ 2.97Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 3.17Å |
| 93 | M | 93.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 138.8 | 178.6 | -168 | 70.5 | 59 | 0 | 0 | 111 | V67 L72 D89 M90 P111 F112 L113 | V67-M93 HydrophobicContact CB-SD 4.3Å; V67-M93 HydrophobicContact CG1-CE 4.34Å; V67-M93 HydrophobicContact CG1-SD 4.36Å; L72-M93 HydrophobicContact CD1-CE 3.68Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.33Å; L72-M93 HydrophobicContact CD2-CE 4.36Å; D89-M93 PolarHBondContact O-N 2.72Å; M90-M93 HydrophobicContact CE-CE 3.31Å; M90-M93 WeakPolarHBondContact O-CB 3.12Å; M90-M93 PolarHBondContact O-N 3.13Å; M90-M93 HydrophobicContact SD-CE 3.96Å; M93-P111 VanDerWaalsContact CG-O 3.31Å; M93-P111 WeakPolarHBondContact CG-O 3.47Å; M93-F112 HydrophobicContact CG-CD1 3.8Å; M93-F112 HydrophobicContact CG-CE1 4.43Å; M93-F112 HydrophobicContact SD-CD1 4.02Å; M93-F112 HydrophobicContact SD-CE1 4.04Å; M93-L113 HydrophobicContact CB-CG 4.33Å; M93-L113 VanDerWaalsContact O-CD1 3.23Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 WeakPolarHBondContact O-CG 3.35Å |
| 94 | P | 93.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 77 Ų | 77 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 154 | 174.5 | 20.2 | -30.6 | 0 | 0 | 0 | 113.4 | V66 V67 F112 L113 | V66-P94 HydrophobicContact CG1-CB 3.77Å; V66-P94 HydrophobicContact CG1-CG 4.04Å; V67-P94 WeakPolarHBondContact O-CD 3.05Å; P94-F112 HydrophobicContact CG-CD1 4.04Å; P94-F112 HydrophobicContact CG-CE1 4.12Å; P94-F112 WeakPolarHBondContact O-CB 3.43Å; P94-L113 PolarHBondContact O-N 3.06Å |
| 95 | E | 92.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 73.4 Ų | 73.4 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -57.7 | 141.5 | 178.1 | -66.8 | 173.7 | -143.4 | 0 | 0 | 112.7 | Y97 I115 K120 | E95-Y97 PolarHBondContact O-N 3.09Å; E95-I115 HydrophobicContact CG-CD1 3.96Å; E95-K120 IonicContact OE1-NZ 2.76Å; E95-K120 PolarHBondContact OE1-NZ 3.18Å; E95-K120 IonicContact OE2-NZ 3.26Å; E95-K120 PolarHBondContact OE2-NZ 3.05Å |
| 96 | C | 94.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.034 | 40% | 0.396 | C | S | . | . | trans | -72.2 | 110.6 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | F98 Y99 S100 C105 F112 L113 H114 | C96-F98 VanDerWaalsContact C-N 3.25Å; C96-F98 PolarHBondContact O-N 3.38Å; C96-Y99 PolarHBondContact O-N 3.27Å; C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.43Å; C96-S100 PolarHBondContact O-N 3.43Å; C96-C105 VanDerWaalsContact SG-SG 3.61Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C96-L113 WeakPolarHBondContact CB-O 3.49Å; C96-L113 PolarHBondContact N-O 2.83Å; C96-H114 WeakPolarHBondContact CB-CD2 3.5Å; C96-H114 PolarHBondContact SG-NE2 3.27Å | ||
| 97 | Y | 92.7 | Very high | 91.7 | Very high | 143 Ų | 143 | 82.3 Ų | 82.3 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -54.6 | -37.7 | 179.2 | -179.2 | -95.4 | 0 | 0 | 0 | 113.7 | E95 K101 | E95-Y97 PolarHBondContact O-N 3.09Å; Y97-K101 HydrophobicContact CE1-CD 3.8Å; Y97-K101 HydrophobicContact CE2-CD 4.34Å; Y97-K101 WeakPolarHBondContact O-CB 3.37Å; Y97-K101 PolarHBondContact O-N 3.3Å; Y97-K101 WeakPolarHBondContact OH-CD 3.47Å; Y97-K101 PolarHBondContact OH-NZ 2.95Å |
| 98 | F | 93.3 | Very high | 91.7 | Very high | 114 Ų | 114 | 87.5 Ų | 87.5 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.8 | -51.5 | -179.4 | -64.6 | -78.3 | 0 | 0 | 0 | 111 | C96 S100 K101 F102 E104 | C96-F98 VanDerWaalsContact C-N 3.25Å; C96-F98 PolarHBondContact O-N 3.38Å; F98-S100 PolarHBondContact O-N 3.17Å; F98-K101 PolarHBondContact O-N 2.97Å; F98-F102 HydrophobicContact CD1-CD2 4.23Å; F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 WeakPolarHBondContact O-CD2 3.27Å; F98-F102 PolarHBondContact O-N 3.27Å; F98-E104 CarbonylContact C-O 3.53Å; F98-E104 VanDerWaalsContact C-O 3.24Å |
| 99 | Y | 92 | Very high | 91.8 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 178.1 | -161.5 | -99.3 | 0 | 0 | 0 | 112 | C96 K101 G103 E104 C105 H114 D116 | C96-Y99 PolarHBondContact O-N 3.27Å; Y99-K101 PolarHBondContact O-N 3.13Å; Y99-G103 WeakPolarHBondContact CE2-O 3.42Å; Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.49Å; Y99-G103 PolarHBondContact O-N 3.14Å; Y99-E104 PolarHBondContact N-O 2.91Å; Y99-C105 HydrophobicContact CD2-CB 4.5Å; Y99-H114 HydrophobicContact CD1-CB 3.71Å; Y99-H114 HydrophobicContact CD2-CB 4.12Å; Y99-H114 AromaticContact CD2-CG 3.81Å; Y99-H114 AromaticContact CD2-ND1 3.84Å; Y99-H114 HydrophobicContact CE1-CB 3.82Å; Y99-H114 HydrophobicContact CE2-CB 4.25Å; Y99-H114 HydrophobicContact CG-CB 3.84Å; Y99-H114 AromaticContact CG-CD2 3.93Å; Y99-H114 AromaticContact CG-CG 3.74Å; Y99-D116 PolarHBondContact OH-OD1 3.22Å |
| 100 | S | 90.1 | Very high | 91.7 | Very high | 56 Ų | 56 | 87.2 Ų | 87.2 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -28 | -180 | -177 | 0 | 0 | 0 | 0 | 113.9 | C96 F98 | C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.43Å; C96-S100 PolarHBondContact O-N 3.43Å; F98-S100 PolarHBondContact O-N 3.17Å |
| 101 | K | 89.3 | Confident | 91.8 | Very high | 121 Ų | 121 | 87.1 Ų | 87.1 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -101.3 | -33.9 | -175.8 | -174.5 | 178 | 178.5 | -170 | 0 | 114.5 | Y97 F98 Y99 | Y97-K101 HydrophobicContact CE1-CD 3.8Å; Y97-K101 HydrophobicContact CE2-CD 4.34Å; Y97-K101 WeakPolarHBondContact O-CB 3.37Å; Y97-K101 PolarHBondContact O-N 3.3Å; Y97-K101 WeakPolarHBondContact OH-CD 3.47Å; Y97-K101 PolarHBondContact OH-NZ 2.95Å; F98-K101 PolarHBondContact O-N 2.97Å; Y99-K101 PolarHBondContact O-N 3.13Å |
| 102 | F | 90.4 | Very high | 91.9 | Very high | 132 Ų | 132 | 83.9 Ų | 83.9 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -118.4 | -8.2 | -171.5 | -57.1 | -70.4 | 0 | 0 | 0 | 113.5 | F98 E104 | F98-F102 HydrophobicContact CD1-CD2 4.23Å; F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 WeakPolarHBondContact O-CD2 3.27Å; F98-F102 PolarHBondContact O-N 3.27Å; F102-E104 PolarHBondContact O-N 3.42Å |
| 103 | G | 87.5 | Confident | 91.9 | Very high | 51 Ų | 51 | 82.9 Ų | 82.9 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 78.4 | -6.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y99 | Y99-G103 WeakPolarHBondContact CE2-O 3.42Å; Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.49Å; Y99-G103 PolarHBondContact O-N 3.14Å |
| 104 | E | 91.1 | Very high | 91.8 | Very high | 150 Ų | 150 | 86.4 Ų | 86.4 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | trans | -135 | 151.1 | -176.6 | -171 | 175.8 | -172.2 | 0 | 0 | 111.1 | F98 Y99 F102 | F98-E104 CarbonylContact C-O 3.53Å; F98-E104 VanDerWaalsContact C-O 3.24Å; Y99-E104 PolarHBondContact N-O 2.91Å; F102-E104 PolarHBondContact O-N 3.42Å | ||
| 105 | C | 93.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 87.4 Ų | 87.4 | 14% | 0.135 | 44% | 0.442 | C | S | . | . | trans | -128.5 | 124.9 | 169.9 | -171 | 0 | 0 | 0 | 0 | 110.1 | C96 Y99 N107 H114 | C96-C105 VanDerWaalsContact SG-SG 3.61Å; Y99-C105 HydrophobicContact CD2-CB 4.5Å; C105-N107 PolarHBondContact O-N 3.18Å; C105-N107 VanDerWaalsContact O-N 3.09Å; C105-H114 VanDerWaalsContact CB-CE1 3.42Å; C105-H114 WeakPolarHBondContact CB-CE1 3.46Å; C105-H114 WeakPolarHBondContact CB-NE2 3.31Å | ||
| 106 | S | 94.2 | Very high | 91.1 | Very high | 117 Ų | 117 | 87.7 Ų | 87.7 | 82% | 0.818 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -66.3 | -8.6 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 107 | N | 91.1 | Very high | 90.3 | Very high | 95 Ų | 95 | 90.8 Ų | 90.8 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | trans | -103.3 | 120.6 | -179.4 | -63.8 | -25 | 0 | 0 | 0 | 109.4 | C105 C110 | C105-N107 PolarHBondContact O-N 3.18Å; C105-N107 VanDerWaalsContact O-N 3.09Å; N107-C110 HydrophobicContact CB-CB 4.15Å | ||
| 108 | K | 89.6 | Confident | 89.5 | Confident | 199 Ų | 199 | 91.1 Ų | 91.1 | 87% | 0.865 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -64.2 | -56.5 | 173.4 | -62.2 | -172.1 | 177.7 | -172.7 | 0 | 110.7 | C110 | K108-C110 PolarHBondContact O-N 3.45Š|
| 109 | E | 91.4 | Very high | 88.7 | Confident | 176 Ų | 176 | 89.1 Ų | 89.1 | 82% | 0.822 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -82.2 | 60.4 | 174.2 | -48.6 | -43.4 | 124.2 | 0 | 0 | 110.9 | P111 | E109-P111 WeakPolarHBondContact O-CD 3.45Š|
| 110 | C | 92 | Very high | 88 | Confident | 24 Ų | 24 | 92.6 Ų | 92.6 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | trans | -80.6 | 118.1 | 174.7 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | N107 K108 F112 H114 | N107-C110 HydrophobicContact CB-CB 4.15Å; K108-C110 PolarHBondContact O-N 3.45Å; C110-F112 VanDerWaalsContact C-N 3.28Å; C110-F112 PolarHBondContact O-N 3.45Å; C110-H114 WeakPolarHBondContact CB-NE2 3.36Å; C110-H114 PolarHBondContact SG-NE2 3.39Å | ||
| 111 | P | 91.4 | Very high | 87.6 | Confident | 65 Ų | 65 | 93.3 Ų | 93.3 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | trans | -73.6 | -21.3 | 178 | 29.9 | -35.3 | 0 | 0 | 0 | 112.7 | M93 E109 | M93-P111 VanDerWaalsContact CG-O 3.31Å; M93-P111 WeakPolarHBondContact CG-O 3.47Å; E109-P111 WeakPolarHBondContact O-CD 3.45Å | ||
| 112 | F | 93.4 | Very high | 87.4 | Confident | 43 Ų | 43 | 95.2 Ų | 95.2 | 19% | 0.189 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -79.9 | 140.4 | -175 | -59.8 | -71.5 | 0 | 0 | 0 | 112 | K69 M93 P94 C96 C110 H114 | K69-F112 HydrophobicContact CD-CE1 4.43Å; K69-F112 HydrophobicContact CD-CZ 4.35Å; K69-F112 HydrophobicContact CG-CE1 4.3Å; K69-F112 HydrophobicContact CG-CZ 4.17Å; M93-F112 HydrophobicContact CG-CD1 3.8Å; M93-F112 HydrophobicContact CG-CE1 4.43Å; M93-F112 HydrophobicContact SD-CD1 4.02Å; M93-F112 HydrophobicContact SD-CE1 4.04Å; P94-F112 HydrophobicContact CG-CD1 4.04Å; P94-F112 HydrophobicContact CG-CE1 4.12Å; P94-F112 WeakPolarHBondContact O-CB 3.43Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C110-F112 VanDerWaalsContact C-N 3.28Å; C110-F112 PolarHBondContact O-N 3.45Å; F112-H114 PolarHBondContact O-CD2 3.47Å; F112-H114 VanDerWaalsContact O-CD2 3.27Å; F112-H114 PolarHBondContact O-N 3.38Å |
| 113 | L | 92.3 | Very high | 87.2 | Confident | 61 Ų | 61 | 91 Ų | 91 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 123 | -174.3 | -64.7 | -179.4 | 0 | 0 | 0 | 112 | M93 P94 C96 I115 | M93-L113 HydrophobicContact CB-CG 4.33Å; M93-L113 VanDerWaalsContact O-CD1 3.23Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 WeakPolarHBondContact O-CG 3.35Å; P94-L113 PolarHBondContact O-N 3.06Å; C96-L113 WeakPolarHBondContact CB-O 3.49Å; C96-L113 PolarHBondContact N-O 2.83Å; L113-I115 HydrophobicContact CB-CD1 4.28Å; L113-I115 HydrophobicContact CB-CG1 4.04Å; L113-I115 HydrophobicContact CD1-CD1 4.37Å; L113-I115 PolarHBondContact O-N 3.4Å |
| 114 | H | 92.3 | Very high | 87.2 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 37% | 0.366 | 46% | 0.455 | S | S | . | . | trans | -87.4 | 100.5 | 168.6 | -69.9 | -178.5 | 0 | 0 | 0 | 107.7 | C96 Y99 C105 C110 F112 | C96-H114 WeakPolarHBondContact CB-CD2 3.5Å; C96-H114 PolarHBondContact SG-NE2 3.27Å; Y99-H114 HydrophobicContact CD1-CB 3.71Å; Y99-H114 HydrophobicContact CD2-CB 4.12Å; Y99-H114 AromaticContact CD2-CG 3.81Å; Y99-H114 AromaticContact CD2-ND1 3.84Å; Y99-H114 HydrophobicContact CE1-CB 3.82Å; Y99-H114 HydrophobicContact CE2-CB 4.25Å; Y99-H114 HydrophobicContact CG-CB 3.84Å; Y99-H114 AromaticContact CG-CD2 3.93Å; Y99-H114 AromaticContact CG-CG 3.74Å; C105-H114 VanDerWaalsContact CB-CE1 3.42Å; C105-H114 WeakPolarHBondContact CB-CE1 3.46Å; C105-H114 WeakPolarHBondContact CB-NE2 3.31Å; C110-H114 WeakPolarHBondContact CB-NE2 3.36Å; C110-H114 PolarHBondContact SG-NE2 3.39Å; F112-H114 PolarHBondContact O-CD2 3.47Å; F112-H114 VanDerWaalsContact O-CD2 3.27Å; F112-H114 PolarHBondContact O-N 3.38Å | ||
| 115 | I | 88.4 | Confident | 87 | Confident | 57 Ų | 57 | 84.7 Ų | 84.7 | 29% | 0.292 | 44% | 0.442 | S | S | . | . | trans | -114.5 | 121.6 | 177.3 | -54.1 | -174.8 | 0 | 0 | 0 | 107.6 | E95 L113 S119 | E95-I115 HydrophobicContact CG-CD1 3.96Å; L113-I115 HydrophobicContact CB-CD1 4.28Å; L113-I115 HydrophobicContact CB-CG1 4.04Å; L113-I115 HydrophobicContact CD1-CD1 4.37Å; L113-I115 PolarHBondContact O-N 3.4Å; I115-S119 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 116 | D | 83.2 | Confident | 86.7 | Confident | 84 Ų | 84 | 89.6 Ų | 89.6 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | trans | -62.1 | 130.3 | 175 | -68 | -60.8 | 0 | 0 | 0 | 110.4 | Y99 E118 S119 K120 | Y99-D116 PolarHBondContact OH-OD1 3.22Å; D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 VanDerWaalsContact O-N 3.1Å; D116-S119 PolarHBondContact O-N 2.79Å; D116-S119 PolarHBondContact O-OG 3.46Å; D116-K120 PolarHBondContact O-N 3.3Å | ||
| 117 | P | 77.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 86.8 Ų | 86.8 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.8 | 175.3 | -28.7 | 36.3 | 0 | 0 | 0 | 113.3 | K120 | P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 PolarHBondContact O-N 2.63Å |
| 118 | E | 76.4 | Confident | 86.2 | Confident | 150 Ų | 150 | 84.2 Ų | 84.2 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -37.3 | 175.3 | -62.4 | -164.1 | 166 | 0 | 0 | 113.5 | D116 K120 I121 | D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 VanDerWaalsContact O-N 3.1Å; E118-K120 PolarHBondContact O-N 2.63Å; E118-I121 VanDerWaalsContact O-CB 3.3Å; E118-I121 WeakPolarHBondContact O-CB 3.49Å; E118-I121 PolarHBondContact O-N 2.69Å |
| 119 | S | 76.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 51% | 0.51 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.6 | 177.5 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | I115 D116 I121 | I115-S119 WeakPolarHBondContact CG2-OG 3.4Å; D116-S119 PolarHBondContact O-N 2.79Å; D116-S119 PolarHBondContact O-OG 3.46Å; S119-I121 PolarHBondContact O-N 3.37Å |
| 120 | K | 77.1 | Confident | 85.3 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.9 | 174.2 | -154.9 | 169.9 | -166.3 | 170.4 | 0 | 112.5 | E95 D116 P117 E118 K122 | E95-K120 IonicContact OE1-NZ 2.76Å; E95-K120 PolarHBondContact OE1-NZ 3.18Å; E95-K120 IonicContact OE2-NZ 3.26Å; E95-K120 PolarHBondContact OE2-NZ 3.05Å; D116-K120 PolarHBondContact O-N 3.3Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 PolarHBondContact O-N 2.63Å; E118-K120 PolarHBondContact O-N 2.63Å; K120-K122 PolarHBondContact O-N 3.47Å |
| 121 | I | 81.7 | Confident | 84.9 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -79.7 | 109.4 | 174.6 | -53 | 177.3 | 0 | 0 | 0 | 108.9 | E118 S119 R139 R141 | E118-I121 VanDerWaalsContact O-CB 3.3Å; E118-I121 WeakPolarHBondContact O-CB 3.49Å; E118-I121 PolarHBondContact O-N 2.69Å; S119-I121 PolarHBondContact O-N 3.37Å; I121-R139 WeakPolarHBondContact CG2-O 3.4Å; I121-R141 HydrophobicContact CB-CB 4.4Å; I121-R141 HydrophobicContact CG2-CB 4.05Å |
| 122 | K | 83.7 | Confident | 84.9 | Confident | 162 Ų | 162 | 74.7 Ų | 74.7 | 70% | 0.704 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 141 | 174.7 | -63.4 | -178.7 | -179.5 | 177.8 | 0 | 111.3 | K120 H140 R141 | K120-K122 PolarHBondContact O-N 3.47Å; K122-H140 WeakPolarHBondContact O-CB 3.42Å; K122-R141 PolarHBondContact O-N 3.22Å |
| 123 | D | 86.1 | Confident | 84.7 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 145.8 | 168.2 | -76 | -23.8 | 0 | 0 | 0 | 110.3 | P125 R141 T143 R145 | D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.39Å; D123-R141 WeakPolarHBondContact CA-O 3.23Å; D123-R141 IonicContact OD1-NH1 3.39Å; D123-R141 PolarHBondContact OD1-NH1 3.47Å; D123-R141 VanDerWaalsContact OD1-NH1 3.16Å; D123-T143 WeakPolarHBondContact OD1-CB 3.31Å; D123-T143 PolarHBondContact OD1-OG1 2.9Å; D123-R145 IonicContact OD2-CZ 3.12Å; D123-R145 IonicContact OD2-NH1 2.71Å; D123-R145 IonicContact OD2-NH2 2.68Å; D123-R145 PolarHBondContact OD2-NH2 3.01Å |
| 124 | C | 88.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 116.7 | -171 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | W126 Y127 D128 C132 H140 R141 H142 | C124-W126 PolarHBondContact O-N 3.02Å; C124-Y127 PolarHBondContact O-N 3.37Å; C124-D128 PolarHBondContact O-N 3.14Å; C124-C132 VanDerWaalsContact SG-SG 3.65Å; C124-H140 HydrophobicContact CB-CB 3.52Å; C124-R141 WeakPolarHBondContact CB-O 3.37Å; C124-R141 PolarHBondContact N-O 3.29Å; C124-H142 VanDerWaalsContact CB-CD2 3.42Å; C124-H142 WeakPolarHBondContact CB-CD2 3.33Å |
| 125 | P | 87.7 | Confident | 84.4 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 1.3 | -179.2 | -20.8 | 34.5 | 0 | 0 | 0 | 115.4 | D123 R129 | D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-R129 VanDerWaalsContact O-CZ 3.3Å; P125-R129 PolarHBondContact O-NE 3.48Å; P125-R129 PolarHBondContact O-NH2 2.87Å |
| 126 | W | 87.2 | Confident | 84.3 | Confident | 122 Ų | 122 | 82.8 Ų | 82.8 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -40.9 | 168.4 | -63 | 91.4 | 0 | 0 | 0 | 111 | C124 R129 F131 C132 | C124-W126 PolarHBondContact O-N 3.02Å; W126-R129 PolarHBondContact O-N 2.88Å; W126-R129 VanDerWaalsContact O-N 3.14Å; W126-F131 CarbonylContact C-O 3.36Å; W126-F131 CarbonylContact O-C 3.24Å; W126-F131 PolarHBondContact O-N 3.47Å; W126-C132 HydrophobicContact CB-CB 4.04Å |
| 127 | Y | 88.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -67.4 | -36.3 | 177.3 | -165.2 | -98.7 | 0 | 0 | 0 | 112.6 | C124 R129 G130 C132 H142 | C124-Y127 PolarHBondContact O-N 3.37Å; Y127-R129 PolarHBondContact O-N 3.28Å; Y127-G130 WeakPolarHBondContact O-CA 3.42Å; Y127-G130 PolarHBondContact O-N 2.82Å; Y127-C132 HydrophobicContact CD2-CB 4.28Å; Y127-H142 VanDerWaalsContact CB-CD2 3.46Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.43Å; Y127-H142 HydrophobicContact CD1-CB 3.88Å; Y127-H142 HydrophobicContact CD2-CB 3.94Å; Y127-H142 AromaticContact CD2-CD2 3.88Å; Y127-H142 AromaticContact CD2-CE1 3.92Å; Y127-H142 AromaticContact CD2-CG 3.57Å; Y127-H142 AromaticContact CD2-ND1 3.62Å; Y127-H142 HydrophobicContact CE1-CB 4Å; Y127-H142 HydrophobicContact CE2-CB 4.08Å; Y127-H142 HydrophobicContact CG-CB 3.85Å; Y127-H142 AromaticContact CG-CD2 3.64Å; Y127-H142 AromaticContact CG-CG 3.63Å |
| 128 | D | 85.3 | Confident | 85 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 22% | 0.219 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -66.4 | -14.9 | 173.8 | -75 | -16.1 | 0 | 0 | 0 | 113.4 | C124 G130 R145 | C124-D128 PolarHBondContact O-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.33Å; D128-R145 VanDerWaalsContact CG-NH1 3.26Å; D128-R145 IonicContact OD1-CZ 3.71Å; D128-R145 IonicContact OD1-NH1 2.67Å; D128-R145 PolarHBondContact OD1-NH1 2.7Å; D128-R145 IonicContact OD2-NH1 2.68Å; D128-R145 PolarHBondContact OD2-NH1 2.64Å |
| 129 | R | 80.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 22% | 0.219 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -93.4 | 13.1 | 168 | -75.1 | -178.5 | -71.6 | 147.1 | -1 | 113.1 | P125 W126 Y127 R168 | P125-R129 VanDerWaalsContact O-CZ 3.3Å; P125-R129 PolarHBondContact O-NE 3.48Å; P125-R129 PolarHBondContact O-NH2 2.87Å; W126-R129 PolarHBondContact O-N 2.88Å; W126-R129 VanDerWaalsContact O-N 3.14Å; Y127-R129 PolarHBondContact O-N 3.28Å; R129-R168 WeakPolarHBondContact CD-O 3.48Å; R129-R168 WeakPolarHBondContact CG-O 3.36Å |
| 130 | G | 81.3 | Confident | 86.1 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -21.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y127 D128 | Y127-G130 WeakPolarHBondContact O-CA 3.42Å; Y127-G130 PolarHBondContact O-N 2.82Å; D128-G130 VanDerWaalsContact C-N 3.33Å |
| 131 | F | 84.9 | Confident | 86.5 | Confident | 155 Ų | 155 | 86.1 Ų | 86.1 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | trans | -149.9 | 126.7 | -178.7 | -177.6 | -100.3 | 0 | 0 | 0 | 114.2 | W126 K133 | W126-F131 CarbonylContact C-O 3.36Å; W126-F131 CarbonylContact O-C 3.24Å; W126-F131 PolarHBondContact O-N 3.47Å; F131-K133 HydrophobicContact CE1-CB 4.23Å | ||
| 132 | C | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 85.3 Ų | 85.3 | 3% | 0.034 | 42% | 0.415 | C | S | . | . | trans | -112.1 | 120.3 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | C124 W126 Y127 H134 G135 H142 | C124-C132 VanDerWaalsContact SG-SG 3.65Å; W126-C132 HydrophobicContact CB-CB 4.04Å; Y127-C132 HydrophobicContact CD2-CB 4.28Å; C132-H134 PolarHBondContact O-N 3.24Å; C132-G135 PolarHBondContact O-N 3.39Å; C132-H142 WeakPolarHBondContact CB-CE1 3.29Å; C132-H142 VanDerWaalsContact CB-NE2 3.28Å; C132-H142 WeakPolarHBondContact CB-NE2 3.47Å; C132-H142 VanDerWaalsContact SG-CE1 3.6Å; C132-H142 PolarHBondContact SG-NE2 3.21Å | ||
| 133 | K | 90.9 | Very high | 87.1 | Confident | 151 Ų | 151 | 78.9 Ų | 78.9 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -17.5 | 178.3 | 69 | -177.2 | -177.2 | 180 | 0 | 115.6 | F131 | F131-K133 HydrophobicContact CE1-CB 4.23Š|
| 134 | H | 90.4 | Very high | 87.1 | Confident | 98 Ų | 98 | 87.4 Ų | 87.4 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.2 | 178.9 | -61.3 | -79.7 | 0 | 0 | 0 | 113.3 | C132 L137 C138 | C132-H134 PolarHBondContact O-N 3.24Å; H134-L137 PolarHBondContact O-N 2.91Å; H134-C138 HydrophobicContact CB-CB 3.84Å |
| 135 | G | 86.9 | Confident | 87 | Confident | 30 Ų | 30 | 92.1 Ų | 92.1 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | 55.3 | -136.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C132 L137 H142 | C132-G135 PolarHBondContact O-N 3.39Å; G135-L137 PolarHBondContact O-N 2.84Å; G135-H142 PolarHBondContact O-CE1 3.34Å; G135-H142 PolarHBondContact O-ND1 3.06Å |
| 136 | P | 86.8 | Confident | 87.1 | Confident | 131 Ų | 131 | 93.9 Ų | 93.9 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -71.1 | -8.5 | 177.1 | 31.3 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 137 | L | 88 | Confident | 87.1 | Confident | 156 Ų | 156 | 91.1 Ų | 91.1 | 82% | 0.817 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -96.8 | 22.9 | -179 | -57.3 | 177.4 | 0 | 0 | 0 | 112.7 | H134 G135 | H134-L137 PolarHBondContact O-N 2.91Å; G135-L137 PolarHBondContact O-N 2.84Å |
| 138 | C | 88.2 | Confident | 87.2 | Confident | 27 Ų | 27 | 88.4 Ų | 88.4 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | trans | -78.2 | 137.6 | 177.1 | -160 | 0 | 0 | 0 | 0 | 111.8 | H134 H140 H142 | H134-C138 HydrophobicContact CB-CB 3.84Å; C138-H140 PolarHBondContact O-N 3.25Å; C138-H142 VanDerWaalsContact CB-CE1 3.44Å; C138-H142 WeakPolarHBondContact CB-CE1 3.46Å; C138-H142 VanDerWaalsContact CB-NE2 3.27Å; C138-H142 WeakPolarHBondContact CB-NE2 3.5Å | ||
| 139 | R | 86.6 | Confident | 87.5 | Confident | 200 Ų | 200 | 91.3 Ų | 91.3 | 76% | 0.755 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -63.9 | -20.3 | 169.6 | 172.3 | 176.5 | 164.6 | -154.8 | -10.4 | 113.2 | I121 | I121-R139 WeakPolarHBondContact CG2-O 3.4Š|
| 140 | H | 87.6 | Confident | 88 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -106 | 149.9 | -177.8 | -63.4 | 136.3 | 0 | 0 | 0 | 111.6 | K122 C124 C138 H142 | K122-H140 WeakPolarHBondContact O-CB 3.42Å; C124-H140 HydrophobicContact CB-CB 3.52Å; C138-H140 PolarHBondContact O-N 3.25Å; H140-H142 PolarHBondContact O-CD2 3.21Å |
| 141 | R | 87.1 | Confident | 88.4 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 133.2 | -172.7 | -175.7 | 174.2 | 174.5 | -114 | 8.2 | 111.1 | I121 K122 D123 C124 T143 | I121-R141 HydrophobicContact CB-CB 4.4Å; I121-R141 HydrophobicContact CG2-CB 4.05Å; K122-R141 PolarHBondContact O-N 3.22Å; D123-R141 WeakPolarHBondContact CA-O 3.23Å; D123-R141 IonicContact OD1-NH1 3.39Å; D123-R141 PolarHBondContact OD1-NH1 3.47Å; D123-R141 VanDerWaalsContact OD1-NH1 3.16Å; C124-R141 WeakPolarHBondContact CB-O 3.37Å; C124-R141 PolarHBondContact N-O 3.29Å; R141-T143 PolarHBondContact NH1-OG1 2.67Å |
| 142 | H | 89.9 | Confident | 88.5 | Confident | 53 Ų | 53 | 92.2 Ų | 92.2 | 25% | 0.245 | 45% | 0.448 | C | S | . | . | trans | -102.1 | 77.2 | -180 | -75.6 | -175.7 | 0 | 0 | 0 | 110.6 | C124 Y127 C132 G135 C138 H140 R144 | C124-H142 VanDerWaalsContact CB-CD2 3.42Å; C124-H142 WeakPolarHBondContact CB-CD2 3.33Å; Y127-H142 VanDerWaalsContact CB-CD2 3.46Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.43Å; Y127-H142 HydrophobicContact CD1-CB 3.88Å; Y127-H142 HydrophobicContact CD2-CB 3.94Å; Y127-H142 AromaticContact CD2-CD2 3.88Å; Y127-H142 AromaticContact CD2-CE1 3.92Å; Y127-H142 AromaticContact CD2-CG 3.57Å; Y127-H142 AromaticContact CD2-ND1 3.62Å; Y127-H142 HydrophobicContact CE1-CB 4Å; Y127-H142 HydrophobicContact CE2-CB 4.08Å; Y127-H142 HydrophobicContact CG-CB 3.85Å; Y127-H142 AromaticContact CG-CD2 3.64Å; Y127-H142 AromaticContact CG-CG 3.63Å; C132-H142 WeakPolarHBondContact CB-CE1 3.29Å; C132-H142 VanDerWaalsContact CB-NE2 3.28Å; C132-H142 WeakPolarHBondContact CB-NE2 3.47Å; C132-H142 VanDerWaalsContact SG-CE1 3.6Å; C132-H142 PolarHBondContact SG-NE2 3.21Å; G135-H142 PolarHBondContact O-CE1 3.34Å; G135-H142 PolarHBondContact O-ND1 3.06Å; C138-H142 VanDerWaalsContact CB-CE1 3.44Å; C138-H142 WeakPolarHBondContact CB-CE1 3.46Å; C138-H142 VanDerWaalsContact CB-NE2 3.27Å; C138-H142 WeakPolarHBondContact CB-NE2 3.5Å; H140-H142 PolarHBondContact O-CD2 3.21Å; H142-R144 PolarHBondContact O-N 2.64Å; H142-R144 VanDerWaalsContact O-N 3.13Å | ||
| 143 | T | 87 | Confident | 88.5 | Confident | 28 Ų | 28 | 98 Ų | 98 | 17% | 0.172 | 48% | 0.483 | C | S | . | . | trans | -76.3 | 97.7 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | D123 R141 R145 | D123-T143 WeakPolarHBondContact OD1-CB 3.31Å; D123-T143 PolarHBondContact OD1-OG1 2.9Å; R141-T143 PolarHBondContact NH1-OG1 2.67Å; T143-R145 HydrophobicContact CG2-CG 4.22Å; T143-R145 PolarHBondContact O-N 3.22Å; T143-R145 VanDerWaalsContact O-N 3.17Å | ||
| 144 | R | 86.7 | Confident | 88.3 | Confident | 222 Ų | 222 | 93.8 Ų | 93.8 | 84% | 0.838 | 48% | 0.482 | S | S | * | . | trans | -62.8 | 114.5 | 177.1 | -177.7 | -175.7 | -73 | 166.7 | -4.2 | 110.5 | H142 | H142-R144 PolarHBondContact O-N 2.64Å; H142-R144 VanDerWaalsContact O-N 3.13Å | ||
| 145 | R | 86.2 | Confident | 88.2 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 38% | 0.377 | 49% | 0.493 | S | S | . | . | trans | -119.3 | 147.4 | 175.3 | -65 | 161.6 | 175.4 | 138.5 | -0 | 109.5 | D123 D128 T143 M165 | D123-R145 IonicContact OD2-CZ 3.12Å; D123-R145 IonicContact OD2-NH1 2.71Å; D123-R145 IonicContact OD2-NH2 2.68Å; D123-R145 PolarHBondContact OD2-NH2 3.01Å; D128-R145 VanDerWaalsContact CG-NH1 3.26Å; D128-R145 IonicContact OD1-CZ 3.71Å; D128-R145 IonicContact OD1-NH1 2.67Å; D128-R145 PolarHBondContact OD1-NH1 2.7Å; D128-R145 IonicContact OD2-NH1 2.68Å; D128-R145 PolarHBondContact OD2-NH1 2.64Å; T143-R145 HydrophobicContact CG2-CG 4.22Å; T143-R145 PolarHBondContact O-N 3.22Å; T143-R145 VanDerWaalsContact O-N 3.17Å; R145-M165 HydrophobicContact CB-CB 3.89Å; R145-M165 HydrophobicContact CB-CE 4Å; R145-M165 HydrophobicContact CB-CG 4.43Å; R145-M165 HydrophobicContact CB-SD 3.77Å; R145-M165 WeakPolarHBondContact CD-SD 3.44Å; R145-M165 HydrophobicContact CG-SD 4.19Å | ||
| 146 | V | 88.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 126.6 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 109 | F164 M165 | V146-F164 HydrophobicContact CB-CD1 4.14Å; V146-F164 HydrophobicContact CG1-CD1 3.83Å; V146-F164 HydrophobicContact CG1-CE1 4.08Å; V146-M165 PolarHBondContact O-N 3.46Å |
| 147 | I | 87.9 | Confident | 88.8 | Confident | 63 Ų | 63 | 94 Ų | 94 | 32% | 0.323 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 139.8 | 179.8 | -63.1 | 173.9 | 0 | 0 | 0 | 110 | V149 L152 M165 P167 | I147-V149 PolarHBondContact O-N 2.72Å; I147-L152 HydrophobicContact CG2-CB 4.44Å; I147-M165 WeakPolarHBondContact CA-O 3.17Å; I147-M165 HydrophobicContact CG1-CE 4.12Å; I147-P167 HydrophobicContact CD1-CG 4.24Å; I147-P167 HydrophobicContact CG1-CG 4.23Å; I147-P167 HydrophobicContact CG2-CG 4.06Å |
| 148 | C | 90.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 89.9 Ų | 89.9 | 1% | 0.014 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 116.9 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 111 | N150 Y151 L152 C162 F164 M165 H166 | C148-N150 VanDerWaalsContact C-N 3.32Å; C148-N150 PolarHBondContact O-N 3.14Å; C148-Y151 PolarHBondContact O-N 3.49Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; C148-C162 VanDerWaalsContact SG-SG 3.64Å; C148-F164 HydrophobicContact CB-CB 3.56Å; C148-M165 PolarHBondContact N-O 3.39Å; C148-H166 WeakPolarHBondContact CB-CD2 3.26Å; C148-H166 WeakPolarHBondContact CB-NE2 3.46Å |
| 149 | V | 91.6 | Very high | 88.8 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | I147 Y151 L152 V153 | I147-V149 PolarHBondContact O-N 2.72Å; V149-Y151 PolarHBondContact O-N 3.39Å; V149-L152 WeakPolarHBondContact O-CB 3.37Å; V149-L152 PolarHBondContact O-N 3.35Å; V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.08Å |
| 150 | N | 91.4 | Very high | 88.8 | Confident | 86 Ų | 86 | 87 Ų | 87 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.9 | -60.1 | -4.6 | 0 | 0 | 0 | 111.4 | C148 L152 V153 G154 F155 C156 | C148-N150 VanDerWaalsContact C-N 3.32Å; C148-N150 PolarHBondContact O-N 3.14Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.69Å; N150-V153 PolarHBondContact O-N 3.17Å; N150-G154 PolarHBondContact O-N 3.35Å; N150-F155 CarbonylContact C-O 3.54Å; N150-F155 WeakPolarHBondContact CB-O 3.3Å; N150-F155 CarbonylContact O-C 3.33Å; N150-F155 PolarHBondContact O-N 3.1Å; N150-F155 VanDerWaalsContact O-N 3.12Å; N150-C156 HydrophobicContact CB-CB 4.21Å |
| 151 | Y | 89.3 | Confident | 88.9 | Confident | 77 Ų | 77 | 89 Ų | 89 | 30% | 0.302 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 175.2 | -172.5 | -98.1 | 0 | 0 | 0 | 112.6 | C148 V149 V153 G154 C156 H166 F169 | C148-Y151 PolarHBondContact O-N 3.49Å; V149-Y151 PolarHBondContact O-N 3.39Å; Y151-V153 VanDerWaalsContact C-N 3.26Å; Y151-V153 PolarHBondContact O-N 3.02Å; Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.96Å; Y151-C156 HydrophobicContact CD2-CB 4.5Å; Y151-H166 WeakPolarHBondContact CB-CD2 3.44Å; Y151-H166 HydrophobicContact CD1-CB 3.76Å; Y151-H166 AromaticContact CD1-CG 3.95Å; Y151-H166 HydrophobicContact CD2-CB 3.94Å; Y151-H166 AromaticContact CD2-CD2 3.87Å; Y151-H166 AromaticContact CD2-CE1 3.79Å; Y151-H166 AromaticContact CD2-CG 3.51Å; Y151-H166 AromaticContact CD2-ND1 3.47Å; Y151-H166 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H166 HydrophobicContact CE1-CB 3.76Å; Y151-H166 HydrophobicContact CE2-CB 3.96Å; Y151-H166 AromaticContact CE2-CG 3.96Å; Y151-H166 AromaticContact CE2-ND1 3.9Å; Y151-H166 HydrophobicContact CG-CB 3.85Å; Y151-H166 AromaticContact CG-CD2 3.51Å; Y151-H166 AromaticContact CG-CG 3.51Å; Y151-H166 AromaticContact CG-ND1 3.94Å; Y151-H166 AromaticContact CG-NE2 3.93Å; Y151-F169 HydrophobicContact CE1-CE2 4.22Å |
| 152 | L | 86.7 | Confident | 89 | Confident | 114 Ų | 114 | 84.2 Ų | 84.2 | 60% | 0.597 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66 | -28.8 | 175.9 | -172.5 | 64.3 | 0 | 0 | 0 | 112.6 | I147 C148 V149 N150 G154 | I147-L152 HydrophobicContact CG2-CB 4.44Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; V149-L152 WeakPolarHBondContact O-CB 3.37Å; V149-L152 PolarHBondContact O-N 3.35Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.69Å; L152-G154 VanDerWaalsContact C-N 3.25Å |
| 153 | V | 89 | Confident | 89 | Confident | 128 Ų | 128 | 88.8 Ų | 88.8 | 78% | 0.776 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.5 | 170.1 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | V149 N150 Y151 | V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.08Å; N150-V153 PolarHBondContact O-N 3.17Å; Y151-V153 VanDerWaalsContact C-N 3.26Å; Y151-V153 PolarHBondContact O-N 3.02Å |
| 154 | G | 87.4 | Confident | 89.2 | Confident | 62 Ų | 62 | 91.6 Ų | 91.6 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.2 | -14.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N150 Y151 L152 | N150-G154 PolarHBondContact O-N 3.35Å; Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.96Å; L152-G154 VanDerWaalsContact C-N 3.25Å |
| 155 | F | 89.4 | Confident | 89.2 | Confident | 156 Ų | 156 | 82.8 Ų | 82.8 | 68% | 0.684 | 46% | 0.463 | S | S | * | . | trans | -150.9 | 127 | -178.6 | 178 | -99 | 0 | 0 | 0 | 112.5 | N150 P157 | N150-F155 CarbonylContact C-O 3.54Å; N150-F155 WeakPolarHBondContact CB-O 3.3Å; N150-F155 CarbonylContact O-C 3.33Å; N150-F155 PolarHBondContact O-N 3.1Å; N150-F155 VanDerWaalsContact O-N 3.12Å; F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 HydrophobicContact CZ-CB 4.48Å | ||
| 156 | C | 92 | Very high | 89.3 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | trans | -117 | 122.3 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | N150 Y151 E158 G159 H166 | N150-C156 HydrophobicContact CB-CB 4.21Å; Y151-C156 HydrophobicContact CD2-CB 4.5Å; C156-E158 PolarHBondContact O-N 2.74Å; C156-G159 PolarHBondContact O-N 3.46Å; C156-G159 VanDerWaalsContact O-N 3.14Å; C156-H166 VanDerWaalsContact CB-CE1 3.47Å; C156-H166 WeakPolarHBondContact CB-CE1 3.39Å; C156-H166 WeakPolarHBondContact CB-NE2 3.47Å | ||
| 157 | P | 92.6 | Very high | 89 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20 | 179.7 | 28.3 | -35.2 | 0 | 0 | 0 | 113.4 | F155 G159 | F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 HydrophobicContact CZ-CB 4.48Å; P157-G159 PolarHBondContact O-N 3.35Å |
| 158 | E | 90.6 | Very high | 88.5 | Confident | 70 Ų | 70 | 80.8 Ų | 80.8 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7.1 | 174.6 | -58.6 | -179.4 | -173.8 | 0 | 0 | 112.8 | C156 S161 C162 K163 | C156-E158 PolarHBondContact O-N 2.74Å; E158-S161 CarbonylContact O-C 3.38Å; E158-S161 PolarHBondContact O-N 3.33Å; E158-S161 PolarHBondContact O-OG 3.36Å; E158-C162 HydrophobicContact CB-CB 3.77Å; E158-C162 PolarHBondContact O-N 2.95Å; E158-C162 VanDerWaalsContact OE2-CA 3.3Å; E158-C162 WeakPolarHBondContact OE2-CA 3.3Å; E158-C162 PolarHBondContact OE2-SG 3.06Å; E158-K163 IonicContact OE1-NZ 3.81Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 PolarHBondContact OE2-N 2.71Å; E158-K163 VanDerWaalsContact OE2-N 3.14Å; E158-K163 IonicContact OE2-NZ 2.62Å |
| 159 | G | 86.2 | Confident | 87.5 | Confident | 24 Ų | 24 | 87.1 Ų | 87.1 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | 60.5 | -151.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | C156 P157 S161 C162 H166 | C156-G159 PolarHBondContact O-N 3.46Å; C156-G159 VanDerWaalsContact O-N 3.14Å; P157-G159 PolarHBondContact O-N 3.35Å; G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.17Å; G159-C162 WeakPolarHBondContact O-CB 3.37Å; G159-C162 PolarHBondContact O-N 2.61Å; G159-H166 PolarHBondContact O-CE1 2.94Å; G159-H166 PolarHBondContact O-ND1 3.28Å |
| 160 | P | 86.3 | Confident | 86.4 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 94% | 0.935 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -60.7 | -19.3 | 174.4 | -23 | 34.6 | 0 | 0 | 0 | 114.1 | C162 | P160-C162 VanDerWaalsContact C-N 3.3Å; P160-C162 PolarHBondContact O-N 3.16Å |
| 161 | S | 89.2 | Confident | 84.9 | Confident | 107 Ų | 107 | 89.8 Ų | 89.8 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -83.4 | 8 | 177.4 | 33.2 | 0 | 0 | 0 | 0 | 114.5 | E158 G159 | E158-S161 CarbonylContact O-C 3.38Å; E158-S161 PolarHBondContact O-N 3.33Å; E158-S161 PolarHBondContact O-OG 3.36Å; G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.17Å |
| 162 | C | 90.4 | Very high | 83.4 | Confident | 19 Ų | 19 | 90.1 Ų | 90.1 | 13% | 0.128 | 49% | 0.488 | C | S | . | . | trans | -61.2 | 139.6 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 113 | C148 E158 G159 P160 F164 H166 | C148-C162 VanDerWaalsContact SG-SG 3.64Å; E158-C162 HydrophobicContact CB-CB 3.77Å; E158-C162 PolarHBondContact O-N 2.95Å; E158-C162 VanDerWaalsContact OE2-CA 3.3Å; E158-C162 WeakPolarHBondContact OE2-CA 3.3Å; E158-C162 PolarHBondContact OE2-SG 3.06Å; G159-C162 WeakPolarHBondContact O-CB 3.37Å; G159-C162 PolarHBondContact O-N 2.61Å; P160-C162 VanDerWaalsContact C-N 3.3Å; P160-C162 PolarHBondContact O-N 3.16Å; C162-F164 PolarHBondContact O-N 3.45Å; C162-F164 PolarHBondContact SG-N 3.19Å; C162-F164 VanDerWaalsContact SG-N 3.45Å; C162-H166 WeakPolarHBondContact CB-CE1 3.47Å; C162-H166 VanDerWaalsContact CB-NE2 3.26Å; C162-H166 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 163 | K | 90.6 | Very high | 81.5 | Confident | 150 Ų | 150 | 93.8 Ų | 93.8 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -67.7 | -9.9 | 175.3 | 66.3 | -175.7 | 173 | -93.3 | 0 | 114.6 | E158 | E158-K163 IonicContact OE1-NZ 3.81Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 PolarHBondContact OE2-N 2.71Å; E158-K163 VanDerWaalsContact OE2-N 3.14Å; E158-K163 IonicContact OE2-NZ 2.62Å |
| 164 | F | 89.6 | Confident | 79.2 | Confident | 87 Ų | 87 | 91 Ų | 91 | 38% | 0.382 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -117.3 | 150.2 | -179.9 | -60.5 | -60.6 | 0 | 0 | 0 | 110.5 | V146 C148 C162 H166 | V146-F164 HydrophobicContact CB-CD1 4.14Å; V146-F164 HydrophobicContact CG1-CD1 3.83Å; V146-F164 HydrophobicContact CG1-CE1 4.08Å; C148-F164 HydrophobicContact CB-CB 3.56Å; C162-F164 PolarHBondContact O-N 3.45Å; C162-F164 PolarHBondContact SG-N 3.19Å; C162-F164 VanDerWaalsContact SG-N 3.45Å; F164-H166 PolarHBondContact O-CD2 3.02Å; F164-H166 PolarHBondContact O-N 3.3Å |
| 165 | M | 87.3 | Confident | 76.9 | Confident | 36 Ų | 36 | 93 Ų | 93 | 18% | 0.177 | 50% | 0.501 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 133.1 | -176.1 | -178 | 168.7 | 72.2 | 0 | 0 | 112.3 | R145 V146 I147 C148 P167 | R145-M165 HydrophobicContact CB-CB 3.89Å; R145-M165 HydrophobicContact CB-CE 4Å; R145-M165 HydrophobicContact CB-CG 4.43Å; R145-M165 HydrophobicContact CB-SD 3.77Å; R145-M165 WeakPolarHBondContact CD-SD 3.44Å; R145-M165 HydrophobicContact CG-SD 4.19Å; V146-M165 PolarHBondContact O-N 3.46Å; I147-M165 WeakPolarHBondContact CA-O 3.17Å; I147-M165 HydrophobicContact CG1-CE 4.12Å; C148-M165 PolarHBondContact N-O 3.39Å; M165-P167 WeakPolarHBondContact O-CD 3.21Å |
| 166 | H | 88.7 | Confident | 74.8 | Confident | 44 Ų | 44 | 92.9 Ų | 92.9 | 20% | 0.204 | 51% | 0.513 | C | S | . | . | trans | -101.9 | 104.4 | 169.2 | -67.7 | -178.9 | 0 | 0 | 0 | 108.9 | C148 Y151 C156 G159 C162 F164 R168 | C148-H166 WeakPolarHBondContact CB-CD2 3.26Å; C148-H166 WeakPolarHBondContact CB-NE2 3.46Å; Y151-H166 WeakPolarHBondContact CB-CD2 3.44Å; Y151-H166 HydrophobicContact CD1-CB 3.76Å; Y151-H166 AromaticContact CD1-CG 3.95Å; Y151-H166 HydrophobicContact CD2-CB 3.94Å; Y151-H166 AromaticContact CD2-CD2 3.87Å; Y151-H166 AromaticContact CD2-CE1 3.79Å; Y151-H166 AromaticContact CD2-CG 3.51Å; Y151-H166 AromaticContact CD2-ND1 3.47Å; Y151-H166 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H166 HydrophobicContact CE1-CB 3.76Å; Y151-H166 HydrophobicContact CE2-CB 3.96Å; Y151-H166 AromaticContact CE2-CG 3.96Å; Y151-H166 AromaticContact CE2-ND1 3.9Å; Y151-H166 HydrophobicContact CG-CB 3.85Å; Y151-H166 AromaticContact CG-CD2 3.51Å; Y151-H166 AromaticContact CG-CG 3.51Å; Y151-H166 AromaticContact CG-ND1 3.94Å; Y151-H166 AromaticContact CG-NE2 3.93Å; C156-H166 VanDerWaalsContact CB-CE1 3.47Å; C156-H166 WeakPolarHBondContact CB-CE1 3.39Å; C156-H166 WeakPolarHBondContact CB-NE2 3.47Å; G159-H166 PolarHBondContact O-CE1 2.94Å; G159-H166 PolarHBondContact O-ND1 3.28Å; C162-H166 WeakPolarHBondContact CB-CE1 3.47Å; C162-H166 VanDerWaalsContact CB-NE2 3.26Å; C162-H166 WeakPolarHBondContact CB-NE2 3.45Å; F164-H166 PolarHBondContact O-CD2 3.02Å; F164-H166 PolarHBondContact O-N 3.3Å; H166-R168 PolarHBondContact O-N 3.14Å | ||
| 167 | P | 82.1 | Confident | 72.6 | Confident | 5 Ų | 5 | 100 Ų | 100 | 3% | 0.032 | 55% | 0.546 | C | S | . | . | trans | -67.2 | 123.9 | -178.1 | -20.4 | 33.8 | 0 | 0 | 0 | 111.3 | I147 M165 F169 | I147-P167 HydrophobicContact CD1-CG 4.24Å; I147-P167 HydrophobicContact CG1-CG 4.23Å; I147-P167 HydrophobicContact CG2-CG 4.06Å; M165-P167 WeakPolarHBondContact O-CD 3.21Å; P167-F169 HydrophobicContact CB-CE1 4.39Å; P167-F169 HydrophobicContact CB-CE2 4.49Å; P167-F169 HydrophobicContact CB-CZ 4.12Å; P167-F169 WeakPolarHBondContact O-CD2 3.41Å; P167-F169 WeakPolarHBondContact O-CE2 3.48Å; P167-F169 PolarHBondContact O-N 3.26Å | ||
| 168 | R | 76.7 | Confident | 70.2 | Confident | 178 Ų | 178 | 103.1 Ų | 103.1 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | trans | -83.6 | 101.5 | 179.7 | -170 | 174 | -172.6 | 160 | 4.7 | 110.4 | R129 H166 E170 | R129-R168 WeakPolarHBondContact CD-O 3.48Å; R129-R168 WeakPolarHBondContact CG-O 3.36Å; H166-R168 PolarHBondContact O-N 3.14Å; R168-E170 VanDerWaalsContact C-N 3.27Å; R168-E170 HydrophobicContact CG-CB 4.26Å; R168-E170 IonicContact CZ-OE2 2.67Å; R168-E170 IonicContact NE-OE2 2.63Å; R168-E170 PolarHBondContact NE-OE2 3.17Å; R168-E170 IonicContact NH2-OE2 2.64Å; R168-E170 PolarHBondContact NH2-OE2 2.9Å; R168-E170 PolarHBondContact O-N 3.13Å | ||
| 169 | F | 70.1 | Confident | 67.8 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | trans | -71.2 | -17.7 | -176.8 | -60.8 | -74.2 | 0 | 0 | 0 | 114.6 | Y151 P167 | Y151-F169 HydrophobicContact CE1-CE2 4.22Å; P167-F169 HydrophobicContact CB-CE1 4.39Å; P167-F169 HydrophobicContact CB-CE2 4.49Å; P167-F169 HydrophobicContact CB-CZ 4.12Å; P167-F169 WeakPolarHBondContact O-CD2 3.41Å; P167-F169 WeakPolarHBondContact O-CE2 3.48Å; P167-F169 PolarHBondContact O-N 3.26Å | ||
| 170 | E | 69.9 | Low | 65.6 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -60.4 | 137 | 176.8 | -61.2 | 176.3 | 145.7 | 0 | 0 | 112.1 | R168 | R168-E170 VanDerWaalsContact C-N 3.27Å; R168-E170 HydrophobicContact CG-CB 4.26Å; R168-E170 IonicContact CZ-OE2 2.67Å; R168-E170 IonicContact NE-OE2 2.63Å; R168-E170 PolarHBondContact NE-OE2 3.17Å; R168-E170 IonicContact NH2-OE2 2.64Å; R168-E170 PolarHBondContact NH2-OE2 2.9Å; R168-E170 PolarHBondContact O-N 3.13Å |
| 171 | L | 58.4 | Low | 63.7 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | trans | -78.8 | 134.1 | 172.2 | -66 | 173.9 | 0 | 0 | 0 | 110 | M173 | L171-M173 PolarHBondContact O-N 3.33Š| ||
| 172 | P | 57.7 | Low | 61.4 | Low | 85 Ų | 85 | 110.7 Ų | 110.7 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | trans | -61.9 | 105.7 | 165.6 | -20.9 | 33 | 0 | 0 | 0 | 110 | G174 | P172-G174 PolarHBondContact O-N 2.76Š| ||
| 173 | M | 47.3 | Very low | 59.1 | Low | 190 Ų | 190 | 118.5 Ų | 118.5 | 94% | 0.936 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -72.8 | 96.5 | 175.9 | -69.6 | -177.1 | 68.5 | 0 | 0 | 109.8 | L171 | L171-M173 PolarHBondContact O-N 3.33Š|
| 174 | G | 40.8 | Very low | 56.7 | Low | 70 Ų | 70 | 120 Ų | 120 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | trans | 81.3 | 59.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | P172 | P172-G174 PolarHBondContact O-N 2.76Š| ||
| 175 | T | 39.5 | Very low | 54.2 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | trans | -83.8 | 132.1 | 158.1 | 54 | 0 | 0 | 0 | 0 | 110.6 | E177 | T175-E177 PolarHBondContact O-N 3.46Š| ||
| 176 | T | 45.8 | Very low | 51.9 | Low | 152 Ų | 152 | 128.9 Ų | 128.9 | 93% | 0.933 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 32.6 | -161.4 | 42.7 | 0 | 0 | 0 | 0 | 117.4 | ||
| 177 | E | 45.8 | Very low | 49.7 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 13.4 | 178.5 | -70.1 | -166.9 | 96.6 | 0 | 0 | 114.4 | T175 | T175-E177 PolarHBondContact O-N 3.46Š|
| 178 | Q | 42.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -96.4 | 127.8 | 170.3 | -70.8 | -160.9 | -32.3 | 0 | 0 | 111.8 | ||
| 179 | P | 39.1 | Very low | 45.4 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.4 | 164.8 | -21.2 | 33 | 0 | 0 | 0 | 110.6 | L181 | P179-L181 PolarHBondContact O-N 2.91Å; P179-L181 VanDerWaalsContact O-N 3.11Å |
| 180 | P | 39.6 | Very low | 44.1 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.6 | 177.2 | -22.7 | 33.5 | 0 | 0 | 0 | 111.2 | ||
| 181 | L | 47.6 | Very low | 42.6 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 133.5 | 162.7 | -78.3 | 164.5 | 0 | 0 | 0 | 107.9 | P179 Q183 | P179-L181 PolarHBondContact O-N 2.91Å; P179-L181 VanDerWaalsContact O-N 3.11Å; L181-Q183 PolarHBondContact O-N 3.35Å |
| 182 | P | 39.7 | Very low | 41.6 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 112.5 | -177.2 | 25.8 | -33.4 | 0 | 0 | 0 | 109.8 | Q184 | P182-Q184 PolarHBondContact O-N 3.42Å; P182-Q184 VanDerWaalsContact O-N 3.14Å | ||
| 183 | Q | 43.3 | Very low | 40.6 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -63.4 | 115 | 170.9 | -76.1 | -176.4 | -18.7 | 0 | 0 | 108.6 | L181 T185 | L181-Q183 PolarHBondContact O-N 3.35Å; Q183-T185 PolarHBondContact O-N 2.98Å; Q183-T185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | Q | 39.5 | Very low | 40.4 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 102.9 | 171.6 | -69.1 | -177.4 | -3.9 | 0 | 0 | 108.5 | P182 Q186 | P182-Q184 PolarHBondContact O-N 3.42Å; P182-Q184 VanDerWaalsContact O-N 3.14Å; Q184-Q186 PolarHBondContact O-N 3.34Å | ||
| 185 | T | 36.9 | Very low | 40.4 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -62.4 | 103.4 | 178.1 | -43.9 | 0 | 0 | 0 | 0 | 110.2 | Q183 | Q183-T185 PolarHBondContact O-N 2.98Å; Q183-T185 VanDerWaalsContact O-N 3.11Å | ||
| 186 | Q | 39.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 125.8 | 171.9 | -66.4 | -173.8 | 0.9 | 0 | 0 | 109.5 | Q184 | Q184-Q186 PolarHBondContact O-N 3.34Š|
| 187 | P | 42.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 151.6 | 171.9 | 30.6 | -34 | 0 | 0 | 0 | 110.7 | ||
| 188 | P | 37.2 | Very low | 40.1 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.4 | -174.9 | 28.2 | -35.2 | 0 | 0 | 0 | 112.7 | ||
| 189 | A | 32.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 148 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 190 | K | 41 | Very low | 39.8 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -127.2 | 145.4 | 152.9 | -76.5 | -169 | 174.5 | -176.1 | 0 | 109.5 | ||||
| 191 | Q | 38.5 | Very low | 39.7 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 137.9 | -169.2 | -60.3 | 150.4 | -33.9 | 0 | 0 | 111.7 | ||||
| 192 | S | 37.6 | Very low | 39.5 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -167.6 | 148.9 | 139.9 | -162.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | N | 37.5 | Very low | 39.3 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 165 | -157.8 | -59.3 | -34.9 | 0 | 0 | 0 | 117.2 | ||||
| 194 | N | 42.9 | Very low | 39.5 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 93.8 | 147.5 | 148.6 | -66.1 | -14 | 0 | 0 | 0 | 120.8 | ||||
| 195 | P | 41.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -133.3 | -142.4 | -141.8 | 36.8 | -10.8 | 0 | 0 | 0 | 114.1 | ||||
| 196 | P | 40.8 | Very low | 39.1 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -129.3 | 144.3 | -100.5 | 39.6 | -22.1 | 0 | 0 | 0 | 117.4 | |||||
| 197 | L | 39.3 | Very low | 39 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 153.4 | 163.1 | -76 | 105.5 | 0 | 0 | 0 | 108.1 | ||||
| 198 | Q | 43.8 | Very low | 38.7 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -140.9 | 150.4 | -17.9 | -91.6 | -137.1 | 87.5 | 0 | 0 | 106.4 | ||||
| 199 | R | 34.3 | Very low | 39 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | 72.9 | 130 | 67.4 | -146.7 | -175.1 | -165 | -139.7 | 2.5 | 115.6 | |||||
| 200 | S | 41.7 | Very low | 39.2 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 78.6 | 154.4 | 173.8 | -52.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 201 | S | 37.5 | Very low | 39.3 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | 174.1 | 168.6 | -37.2 | -98 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 202 | S | 43.5 | Very low | 39.5 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 78.8 | 130.9 | 177.2 | -47.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 203 | L | 34.8 | Very low | 39.5 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | 95 | 85 | 23.5 | -168.1 | 89.4 | 0 | 0 | 0 | 115 | ||||
| 204 | I | 47.2 | Very low | 39.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 99.9 | 159.2 | -64.1 | -173.2 | 0 | 0 | 0 | 105.7 | ||||
| 205 | Q | 38.3 | Very low | 39.2 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | 75.2 | 135.8 | 93.7 | -72 | 178.5 | -36.3 | 0 | 0 | 115.7 | |||||
| 206 | L | 29.5 | Very low | 38.9 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -89.8 | 152.9 | 172.5 | -63.6 | 77.3 | 0 | 0 | 0 | 110 | ||||
| 207 | T | 38.7 | Very low | 38.7 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -129.5 | 146.6 | 155.4 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 208 | S | 34.3 | Very low | 38.8 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -123.3 | 122.3 | -177.8 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | Q | 44.8 | Very low | 38.7 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -146.5 | 147.7 | 160.8 | -58 | -175.8 | 12.1 | 0 | 0 | 108.1 | ||||
| 210 | N | 36.4 | Very low | 38.9 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | 172 | 169.9 | -27.2 | -174.7 | 15.3 | 0 | 0 | 0 | 103.6 | ||||
| 211 | S | 41.8 | Very low | 38.8 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 81% | 0.807 | S | S | * | * | trans | 82 | 112.7 | 160.3 | -49.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 212 | S | 43.5 | Very low | 38.8 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 89.3 | 150.5 | 130.5 | -62.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 213 | P | 37.2 | Very low | 38.4 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -134 | 175.3 | -136.6 | 43.9 | -28.2 | 0 | 0 | 0 | 117.5 | ||||
| 214 | N | 33 | Very low | 38.4 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | 58.8 | 106 | 147.6 | -168.2 | 25.2 | 0 | 0 | 0 | 119.6 | ||||
| 215 | Q | 42 | Very low | 38.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -155.4 | 135.9 | 139.3 | -122.8 | 163.6 | 96 | 0 | 0 | 111.2 | ||||
| 216 | Q | 35.1 | Very low | 38.1 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -72.9 | 140.6 | 178.8 | -64.9 | 123.1 | -50.2 | 0 | 0 | 111.7 | ||||
| 217 | R | 35.7 | Very low | 38.6 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -124.4 | 116.9 | 161.4 | -82.4 | -169.7 | 171.7 | -166.3 | -2 | 110.4 | ||||
| 218 | T | 41.3 | Very low | 38.9 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 153.1 | 164.7 | 45 | 0 | 0 | 0 | 0 | 110.2 | Q220 | T218-Q220 PolarHBondContact O-N 2.71Š|
| 219 | P | 41.2 | Very low | 39 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130 | 179.5 | -17.1 | 31.5 | 0 | 0 | 0 | 111.4 | ||
| 220 | Q | 39.8 | Very low | 38.8 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.7 | 169.6 | -72.7 | -164.9 | -27.6 | 0 | 0 | 110.6 | T218 I222 | T218-Q220 PolarHBondContact O-N 2.71Å; Q220-I222 HydrophobicContact CB-CG1 4.48Å |
| 221 | V | 38.4 | Very low | 38.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -92.1 | 103.4 | 167.3 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 222 | I | 38.8 | Very low | 38.9 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | trans | -124.1 | 118.6 | 170 | -61.7 | 178.6 | 0 | 0 | 0 | 107.2 | Q220 | Q220-I222 HydrophobicContact CB-CG1 4.48Š| ||
| 223 | G | 35.2 | Very low | 38.8 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -169.5 | 49.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M225 | G223-M225 PolarHBondContact O-N 2.68Š| ||
| 224 | V | 34 | Very low | 39.1 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 116.7 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 225 | M | 42.8 | Very low | 40.2 | Very low | 186 Ų | 186 | 147 Ų | 147 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -120.9 | 146.6 | 163.9 | -81.1 | -167.5 | 155 | 0 | 0 | 110.5 | G223 | G223-M225 PolarHBondContact O-N 2.68Š| ||
| 226 | Q | 36.5 | Very low | 41.3 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -82.6 | 129.7 | -157.6 | -64.7 | 150.9 | -24.9 | 0 | 0 | 111.8 | ||||
| 227 | S | 39.9 | Very low | 43 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -94 | 102.8 | 166.2 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | N229 | S227-N229 PolarHBondContact O-N 3.02Š| ||
| 228 | Q | 44.5 | Very low | 44.6 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -84.2 | 98.5 | 173.2 | -70.7 | -168.6 | 1 | 0 | 0 | 110.9 | ||||
| 229 | N | 36.6 | Very low | 46.5 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 44.3 | 102.4 | 137.5 | -161.6 | 14.8 | 0 | 0 | 0 | 118.7 | S227 | S227-N229 PolarHBondContact O-N 3.02Š| ||
| 230 | S | 41 | Very low | 48.4 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -155.3 | 75.6 | 157.4 | -81.9 | 0 | 0 | 0 | 0 | 112.2 | A232 | S230-A232 PolarHBondContact O-N 3.46Š| ||
| 231 | S | 36.8 | Very low | 50.5 | Low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 41.2 | 51.7 | 147.3 | -53.6 | 0 | 0 | 0 | 0 | 119.2 | G233 | S231-G233 PolarHBondContact O-N 3.12Š| ||
| 232 | A | 43.8 | Very low | 52.6 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | -93.5 | 76.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S230 | S230-A232 PolarHBondContact O-N 3.46Š| ||
| 233 | G | 41.5 | Very low | 54.8 | Low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -62.6 | 152.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S231 R235 | S231-G233 PolarHBondContact O-N 3.12Å; G233-R235 PolarHBondContact O-N 3.2Å | ||
| 234 | N | 43.9 | Very low | 57.2 | Low | 180 Ų | 180 | 120.2 Ų | 120.2 | 96% | 0.963 | 68% | 0.684 | S | S | * | * | trans | -43.9 | 108.5 | -176.2 | -104.6 | -15.2 | 0 | 0 | 0 | 112.9 | ||||
| 235 | R | 55.6 | Low | 59.5 | Low | 199 Ų | 199 | 113.8 Ų | 113.8 | 75% | 0.751 | 65% | 0.645 | S | S | * | * | trans | -126.2 | 107.5 | 168.2 | -76.5 | -179.7 | 171.6 | 152.8 | -0.6 | 108.2 | G233 | G233-R235 PolarHBondContact O-N 3.2Š| ||
| 236 | G | 65.5 | Low | 61.3 | Low | 58 Ų | 58 | 113.9 Ų | 113.9 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | trans | -63.3 | -174.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R238 | G236-R238 PolarHBondContact O-N 3.21Š| ||
| 237 | P | 70.1 | Confident | 63.1 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 83% | 0.831 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -51 | 119 | 175.8 | -24.9 | 34.5 | 0 | 0 | 0 | 110.4 | ||
| 238 | R | 70.3 | Confident | 65.1 | Low | 119 Ų | 119 | 103.4 Ų | 103.4 | 45% | 0.449 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 139.4 | 175.6 | -69.5 | -176.2 | -175.6 | -116.7 | 12.7 | 108.4 | G236 L240 V243 | G236-R238 PolarHBondContact O-N 3.21Å; R238-L240 PolarHBondContact O-N 3.46Å; R238-V243 HydrophobicContact CB-CG2 4.25Å |
| 239 | P | 80.6 | Confident | 66.8 | Low | 80 Ų | 80 | 97.3 Ų | 97.3 | 52% | 0.519 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 139.8 | 172.4 | 24.8 | -33.7 | 0 | 0 | 0 | 109.1 | E241 Q242 | P239-E241 PolarHBondContact O-N 3.37Å; P239-E241 VanDerWaalsContact O-N 3.13Å; P239-Q242 HydrophobicContact CG-CB 4.31Å; P239-Q242 PolarHBondContact O-N 3.3Å |
| 240 | L | 81.3 | Confident | 69.1 | Low | 86 Ų | 86 | 94.7 Ų | 94.7 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -61.6 | -30.4 | -166.6 | -153.1 | 68.9 | 0 | 0 | 0 | 111.9 | R238 Q242 V243 G252 Y254 | R238-L240 PolarHBondContact O-N 3.46Å; L240-Q242 PolarHBondContact O-N 3.32Å; L240-V243 WeakPolarHBondContact O-CB 3.3Å; L240-V243 PolarHBondContact O-N 3.37Å; L240-G252 WeakPolarHBondContact CD2-O 3.28Å; L240-G252 VanDerWaalsContact CG-O 3.3Å; L240-G252 WeakPolarHBondContact CG-O 3.39Å; L240-G252 WeakPolarHBondContact O-CA 3.44Å; L240-G252 PolarHBondContact O-N 2.83Å; L240-G252 VanDerWaalsContact O-N 3.15Å; L240-Y254 HydrophobicContact CD1-CD2 3.83Å; L240-Y254 HydrophobicContact CD1-CE2 3.48Å; L240-Y254 VanDerWaalsContact CD1-CE2 3.48Å |
| 241 | E | 82.6 | Confident | 71.4 | Confident | 157 Ų | 157 | 96.3 Ų | 96.3 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -56.3 | -26.9 | 170.6 | -65.1 | 148.2 | -137.2 | 0 | 0 | 114.5 | P239 K251 | P239-E241 PolarHBondContact O-N 3.37Å; P239-E241 VanDerWaalsContact O-N 3.13Å; E241-K251 WeakPolarHBondContact O-CB 3.47Å; E241-K251 WeakPolarHBondContact O-CD 3.49Å |
| 242 | Q | 83.9 | Confident | 73.7 | Confident | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -93.8 | -2.8 | 175.5 | -152 | -169.6 | 62.3 | 0 | 0 | 112.7 | P239 L240 T244 | P239-Q242 HydrophobicContact CG-CB 4.31Å; P239-Q242 PolarHBondContact O-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.01Å |
| 243 | V | 85 | Confident | 75.9 | Confident | 15 Ų | 15 | 88.9 Ų | 88.9 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | trans | -89.6 | 103.7 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | R238 L240 K251 G252 Y254 | R238-V243 HydrophobicContact CB-CG2 4.25Å; L240-V243 WeakPolarHBondContact O-CB 3.3Å; L240-V243 PolarHBondContact O-N 3.37Å; V243-K251 CarbonylContact O-C 3.57Å; V243-K251 WeakPolarHBondContact O-CA 3.27Å; V243-G252 PolarHBondContact O-N 3.36Å; V243-G252 VanDerWaalsContact O-N 3.14Å; V243-Y254 HydrophobicContact CB-CE1 4.5Å; V243-Y254 HydrophobicContact CG1-CD1 3.58Å; V243-Y254 HydrophobicContact CG1-CE1 3.61Å; V243-Y254 HydrophobicContact CG1-CG 4.1Å; V243-Y254 HydrophobicContact CG2-CE1 4.06Å | ||
| 244 | T | 85.2 | Confident | 77.9 | Confident | 66 Ų | 66 | 91.3 Ų | 91.3 | 41% | 0.405 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -76.3 | 132.9 | 168.6 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | Q242 G249 E250 | Q242-T244 PolarHBondContact O-N 3.01Å; T244-G249 VanDerWaalsContact CG2-O 3.28Å; T244-G249 WeakPolarHBondContact CG2-O 3.46Å; T244-E250 CarbonylContact C-O 3.58Å; T244-E250 WeakPolarHBondContact CA-O 3.42Å |
| 245 | C | 83 | Confident | 79.7 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.007 | 43% | 0.43 | C | S | . | . | trans | -82.1 | 116.9 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | K247 C248 G249 E250 H253 A255 C258 | C245-K247 PolarHBondContact O-N 2.9Å; C245-K247 PolarHBondContact SG-N 2.97Å; C245-K247 VanDerWaalsContact SG-N 3.44Å; C245-C248 PolarHBondContact O-N 3.2Å; C245-G249 WeakPolarHBondContact O-CA 3.39Å; C245-G249 PolarHBondContact O-N 3.14Å; C245-E250 WeakPolarHBondContact CB-O 3.42Å; C245-E250 PolarHBondContact N-O 2.89Å; C245-H253 WeakPolarHBondContact CB-NE2 3.46Å; C245-H253 PolarHBondContact SG-NE2 3.46Å; C245-A255 VanDerWaalsContact SG-CA 3.58Å; C245-C258 PolarHBondContact SG-SG 2.96Å | ||
| 246 | Y | 79 | Confident | 80.9 | Confident | 189 Ų | 189 | 79.9 Ų | 79.9 | 74% | 0.741 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -2.4 | 176.7 | -64.9 | -85.8 | 0 | 0 | 0 | 115.6 | ||
| 247 | K | 75.8 | Confident | 81.6 | Confident | 60 Ų | 60 | 86.9 Ų | 86.9 | 26% | 0.261 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -10.4 | 177.9 | -70 | -173 | -170.4 | -66.9 | 0 | 114.7 | D34 G74 C245 A255 C258 F265 | D34-K247 IonicContact OD2-NZ 2.77Å; G74-K247 PolarHBondContact O-NZ 2.83Å; C245-K247 PolarHBondContact O-N 2.9Å; C245-K247 PolarHBondContact SG-N 2.97Å; C245-K247 VanDerWaalsContact SG-N 3.44Å; K247-A255 HydrophobicContact CD-CB 4.38Å; K247-A255 HydrophobicContact CG-CB 4.1Å; K247-C258 HydrophobicContact CB-CB 4.32Å; K247-F265 WeakPolarHBondContact O-CE2 3.33Å; K247-F265 WeakPolarHBondContact O-CZ 3.35Å |
| 248 | C | 80.7 | Confident | 82.2 | Confident | 17 Ų | 17 | 81.9 Ų | 81.9 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | -8 | 178.3 | 66.4 | 0 | 0 | 0 | 0 | 115.1 | C245 E250 C258 K260 A264 | C245-C248 PolarHBondContact O-N 3.2Å; C248-E250 VanDerWaalsContact C-N 3.25Å; C248-E250 PolarHBondContact O-N 3.33Å; C248-C258 VanDerWaalsContact SG-SG 3.63Å; C248-K260 HydrophobicContact CB-CB 4.1Å; C248-K260 HydrophobicContact CB-CD 4.38Å; C248-A264 HydrophobicContact CB-CB 4.48Å |
| 249 | G | 81.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 83 Ų | 83 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 80.1 | -7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | T244 C245 | T244-G249 VanDerWaalsContact CG2-O 3.28Å; T244-G249 WeakPolarHBondContact CG2-O 3.46Å; C245-G249 WeakPolarHBondContact O-CA 3.39Å; C245-G249 PolarHBondContact O-N 3.14Å |
| 250 | E | 83.9 | Confident | 82.3 | Confident | 86 Ų | 86 | 83.4 Ų | 83.4 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | trans | -82.9 | 155.5 | -178.8 | -60.1 | -175.3 | 139.2 | 0 | 0 | 112.8 | T244 C245 C248 K260 | T244-E250 CarbonylContact C-O 3.58Å; T244-E250 WeakPolarHBondContact CA-O 3.42Å; C245-E250 WeakPolarHBondContact CB-O 3.42Å; C245-E250 PolarHBondContact N-O 2.89Å; C248-E250 VanDerWaalsContact C-N 3.25Å; C248-E250 PolarHBondContact O-N 3.33Å; E250-K260 IonicContact OE1-NZ 2.64Å; E250-K260 PolarHBondContact OE1-NZ 3Å; E250-K260 WeakPolarHBondContact OE2-CD 3.18Å; E250-K260 WeakPolarHBondContact OE2-CE 3.22Å; E250-K260 IonicContact OE2-NZ 2.86Å; E250-K260 PolarHBondContact OE2-NZ 2.87Å | ||
| 251 | K | 88.7 | Confident | 81.3 | Confident | 148 Ų | 148 | 81.4 Ų | 81.4 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -87.6 | 171.7 | 176.2 | -69.6 | 172.2 | -177.5 | 175.2 | 0 | 111.5 | E241 V243 | E241-K251 WeakPolarHBondContact O-CB 3.47Å; E241-K251 WeakPolarHBondContact O-CD 3.49Å; V243-K251 CarbonylContact O-C 3.57Å; V243-K251 WeakPolarHBondContact O-CA 3.27Å |
| 252 | G | 86.9 | Confident | 80.2 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 89.6 | 2.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L240 V243 | L240-G252 WeakPolarHBondContact CD2-O 3.28Å; L240-G252 VanDerWaalsContact CG-O 3.3Å; L240-G252 WeakPolarHBondContact CG-O 3.39Å; L240-G252 WeakPolarHBondContact O-CA 3.44Å; L240-G252 PolarHBondContact O-N 2.83Å; L240-G252 VanDerWaalsContact O-N 3.15Å; V243-G252 PolarHBondContact O-N 3.36Å; V243-G252 VanDerWaalsContact O-N 3.14Å |
| 253 | H | 88.4 | Confident | 79 | Confident | 33 Ų | 33 | 79.5 Ų | 79.5 | 15% | 0.153 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -159.2 | 156 | 175 | 64.8 | -78.7 | 0 | 0 | 0 | 113.8 | C245 C258 | C245-H253 WeakPolarHBondContact CB-NE2 3.46Å; C245-H253 PolarHBondContact SG-NE2 3.46Å; H253-C258 PolarHBondContact NE2-SG 3.19Å |
| 254 | Y | 84.5 | Confident | 77.5 | Confident | 109 Ų | 109 | 80 Ų | 80 | 43% | 0.427 | 42% | 0.415 | S | S | . | . | trans | -81.2 | 150.5 | 170.4 | -66.2 | -80.2 | 0 | 0 | 0 | 111.4 | L240 V243 N256 R257 | L240-Y254 HydrophobicContact CD1-CD2 3.83Å; L240-Y254 HydrophobicContact CD1-CE2 3.48Å; L240-Y254 VanDerWaalsContact CD1-CE2 3.48Å; V243-Y254 HydrophobicContact CB-CE1 4.5Å; V243-Y254 HydrophobicContact CG1-CD1 3.58Å; V243-Y254 HydrophobicContact CG1-CE1 3.61Å; V243-Y254 HydrophobicContact CG1-CG 4.1Å; V243-Y254 HydrophobicContact CG2-CE1 4.06Å; Y254-N256 PolarHBondContact O-N 3.27Å; Y254-R257 PolarHBondContact O-N 3.41Å | ||
| 255 | A | 81.7 | Confident | 76 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -50.8 | -27.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | C245 K247 R257 C258 | C245-A255 VanDerWaalsContact SG-CA 3.58Å; K247-A255 HydrophobicContact CD-CB 4.38Å; K247-A255 HydrophobicContact CG-CB 4.1Å; A255-R257 PolarHBondContact O-N 2.93Å; A255-C258 WeakPolarHBondContact O-CB 3.38Å |
| 256 | N | 80.1 | Confident | 74.6 | Confident | 120 Ų | 120 | 88.4 Ų | 88.4 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -73.9 | -12.8 | 178.4 | -46 | 12.8 | 0 | 0 | 0 | 113.4 | L75 Y254 | L75-N256 HydrophobicContact CD2-CB 4.38Å; L75-N256 WeakPolarHBondContact CD2-OD1 3.42Å; Y254-N256 PolarHBondContact O-N 3.27Å |
| 257 | R | 81.6 | Confident | 73.2 | Confident | 205 Ų | 205 | 84.6 Ų | 84.6 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -123 | 20 | -178.7 | -63.9 | -174.1 | 176.9 | -130.8 | 1.6 | 111.8 | Y254 A255 T259 | Y254-R257 PolarHBondContact O-N 3.41Å; A255-R257 PolarHBondContact O-N 2.93Å; R257-T259 PolarHBondContact O-N 3.27Å |
| 258 | C | 80.9 | Confident | 71.7 | Confident | 23 Ų | 23 | 85 Ų | 85 | 16% | 0.155 | 47% | 0.474 | C | S | . | . | trans | -75.5 | 104.1 | -177.9 | -162.3 | 0 | 0 | 0 | 0 | 109.9 | C245 K247 C248 H253 A255 K260 | C245-C258 PolarHBondContact SG-SG 2.96Å; K247-C258 HydrophobicContact CB-CB 4.32Å; C248-C258 VanDerWaalsContact SG-SG 3.63Å; H253-C258 PolarHBondContact NE2-SG 3.19Å; A255-C258 WeakPolarHBondContact O-CB 3.38Å; C258-K260 PolarHBondContact O-N 3.02Å; C258-K260 PolarHBondContact SG-O 3Å | ||
| 259 | T | 83.5 | Confident | 69.6 | Low | 142 Ų | 142 | 97 Ų | 97 | 87% | 0.871 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -63.2 | -34.9 | 174 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | R257 G261 | R257-T259 PolarHBondContact O-N 3.27Å; T259-G261 PolarHBondContact O-N 3.19Å |
| 260 | K | 70 | Confident | 69 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 39% | 0.387 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -66.5 | 93.9 | 167 | -85.6 | 178.4 | -176.1 | -178.7 | 0 | 110.3 | C248 E250 C258 A264 | C248-K260 HydrophobicContact CB-CB 4.1Å; C248-K260 HydrophobicContact CB-CD 4.38Å; E250-K260 IonicContact OE1-NZ 2.64Å; E250-K260 PolarHBondContact OE1-NZ 3Å; E250-K260 WeakPolarHBondContact OE2-CD 3.18Å; E250-K260 WeakPolarHBondContact OE2-CE 3.22Å; E250-K260 IonicContact OE2-NZ 2.86Å; E250-K260 PolarHBondContact OE2-NZ 2.87Å; C258-K260 PolarHBondContact O-N 3.02Å; C258-K260 PolarHBondContact SG-O 3Å; K260-A264 HydrophobicContact CB-CB 3.44Å; K260-A264 VanDerWaalsContact CB-CB 3.44Å; K260-A264 HydrophobicContact CD-CB 4.07Å; K260-A264 HydrophobicContact CG-CB 3.74Å |
| 261 | G | 61.8 | Low | 68.2 | Low | 44 Ų | 44 | 100.4 Ų | 100.4 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | trans | -60.8 | 180 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T259 L263 A264 | T259-G261 PolarHBondContact O-N 3.19Å; G261-L263 PolarHBondContact O-N 2.99Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3.32Å; G261-A264 PolarHBondContact O-N 3.11Å | ||
| 262 | H | 58.7 | Low | 67.1 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -18.4 | -174.8 | -165.5 | -63.7 | 0 | 0 | 0 | 114.9 | G37 | G37-H262 WeakPolarHBondContact CA-NE2 3.47Å; G37-H262 PolarHBondContact N-NE2 3.03Å |
| 263 | L | 58 | Low | 65.9 | Low | 131 Ų | 131 | 101.6 Ų | 101.6 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.7 | 178 | -59.9 | 176.9 | 0 | 0 | 0 | 114.3 | G261 F265 L266 | G261-L263 PolarHBondContact O-N 2.99Å; L263-F265 PolarHBondContact O-N 3.04Å; L263-L266 HydrophobicContact CD2-CD1 4.39Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 3.14Å |
| 264 | A | 53.9 | Low | 64.5 | Low | 24 Ų | 24 | 105.9 Ų | 105.9 | 20% | 0.198 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -65.6 | -15.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C248 K260 G261 L266 S267 | C248-A264 HydrophobicContact CB-CB 4.48Å; K260-A264 HydrophobicContact CB-CB 3.44Å; K260-A264 VanDerWaalsContact CB-CB 3.44Å; K260-A264 HydrophobicContact CD-CB 4.07Å; K260-A264 HydrophobicContact CG-CB 3.74Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3.32Å; G261-A264 PolarHBondContact O-N 3.11Å; A264-L266 PolarHBondContact O-N 3.11Å; A264-S267 PolarHBondContact O-N 3.01Å |
| 265 | F | 53.1 | Low | 63.2 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 43% | 0.434 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -68.4 | -14 | 170.9 | -63.9 | -70.5 | 0 | 0 | 0 | 113.5 | M33 K247 L263 | M33-F265 HydrophobicContact CE-CE2 4.4Å; M33-F265 HydrophobicContact CE-CZ 4.09Å; M33-F265 HydrophobicContact SD-CZ 3.94Å; K247-F265 WeakPolarHBondContact O-CE2 3.33Å; K247-F265 WeakPolarHBondContact O-CZ 3.35Å; L263-F265 PolarHBondContact O-N 3.04Å |
| 266 | L | 53.7 | Low | 61.9 | Low | 145 Ų | 145 | 111.8 Ų | 111.8 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -83.9 | -8.1 | 177.4 | -60.4 | 175.4 | 0 | 0 | 0 | 113.6 | L263 A264 | L263-L266 HydrophobicContact CD2-CD1 4.39Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 3.14Å; A264-L266 PolarHBondContact O-N 3.11Å |
| 267 | S | 50.2 | Low | 60.5 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -101.4 | 35.7 | -179.4 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | A264 | A264-S267 PolarHBondContact O-N 3.01Š|
| 268 | G | 44.7 | Very low | 58.7 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | trans | -125.1 | 22.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 269 | Q | 36 | Very low | 56.7 | Low | 270 Ų | 270 | 110.6 Ų | 110.6 | 100% | 1.262 | 63% | 0.632 | S | S | * | * | trans | -142.6 | 0 | 166.4 | -96.2 | 175.7 | 100.5 | 0 | 0 | 108 |
Retrieved 269 of 269 residues in 61.4 ms
(Link to these results)