| 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 | 91 | Very high | 93.5 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 16% | 0.163 | 22% | 0.221 | C | C | . | . | 0 | 130.1 | 0 | -60.1 | -159.6 | 79.5 | 0 | 0 | 109.1 | D10 L11 Y16 M31 Q32 C33 W199 | M1-D10 CarbonylContact O-C 3.4Å; M1-D10 VanDerWaalsContact O-CA 3.28Å; M1-D10 WeakPolarHBondContact O-CA 3.38Å; M1-L11 PolarHBondContact N-O 2.91Å; M1-L11 PolarHBondContact O-N 3.28Å; M1-Y16 HydrophobicContact CE-CD1 4.3Å; M1-Y16 HydrophobicContact CE-CE1 4.11Å; M1-Y16 HydrophobicContact SD-CD1 3.26Å; M1-Y16 WeakPolarHBondContact SD-CD1 2.99Å; M1-Y16 HydrophobicContact SD-CD2 4.33Å; M1-Y16 HydrophobicContact SD-CE1 3.68Å; M1-Y16 HydrophobicContact SD-CG 3.59Å; M1-Y16 VanDerWaalsContact SD-CG 3.59Å; M1-M31 HydrophobicContact CB-CE 3.26Å; M1-M31 HydrophobicContact CE-CB 4.48Å; M1-M31 HydrophobicContact CG-CE 4.19Å; M1-M31 HydrophobicContact SD-CE 4.02Å; M1-Q32 CarbonylContact C-O 3.43Å; M1-Q32 VanDerWaalsContact CA-O 3.28Å; M1-Q32 WeakPolarHBondContact CA-O 3.28Å; M1-C33 HydrophobicContact CE-CB 4Å; M1-W199 HydrophobicContact CE-CZ2 4.4Å | |||
| 2 | K | 93.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.4 | -173.7 | -177.9 | 158.2 | -151.7 | 67.8 | 0 | 111.1 | D10 M31 Q32 I34 M89 A94 T101 N102 | K2-D10 VanDerWaalsContact CA-OD1 3.28Å; K2-D10 WeakPolarHBondContact CA-OD1 3.4Å; K2-D10 WeakPolarHBondContact CB-OD1 3.33Å; K2-D10 WeakPolarHBondContact CG-OD1 3.41Å; K2-D10 IonicContact NZ-OD1 3.29Å; K2-D10 PolarHBondContact NZ-OD1 3.29Å; K2-D10 IonicContact NZ-OD2 3.41Å; K2-D10 PolarHBondContact NZ-OD2 3.05Å; K2-M31 CarbonylContact O-C 3.51Å; K2-M31 VanDerWaalsContact O-CA 3.28Å; K2-M31 WeakPolarHBondContact O-CA 3.36Å; K2-Q32 PolarHBondContact N-O 3.24Å; K2-Q32 PolarHBondContact O-N 2.99Å; K2-I34 HydrophobicContact CB-CD1 4.19Å; K2-I34 HydrophobicContact CB-CG1 3.7Å; K2-M89 HydrophobicContact CD-CE 4.42Å; K2-M89 HydrophobicContact CD-SD 3.51Å; K2-M89 VanDerWaalsContact CD-SD 3.51Å; K2-M89 WeakPolarHBondContact CE-SD 3.39Å; K2-M89 HydrophobicContact CG-SD 3.74Å; K2-A94 HydrophobicContact CD-CB 3.92Å; K2-T101 VanDerWaalsContact CE-O 3.29Å; K2-T101 WeakPolarHBondContact CE-O 3.21Å; K2-N102 WeakPolarHBondContact CE-OD1 3.35Å; K2-N102 PolarHBondContact NZ-OD1 3.33Å |
| 3 | C | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132.5 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | C6 F9 H25 | C3-C6 HydrophobicContact CB-CB 4Å; C3-C6 VanDerWaalsContact SG-CB 3.57Å; C3-C6 PolarHBondContact SG-N 2.97Å; C3-C6 PolarHBondContact SG-SG 3.29Å; C3-F9 HydrophobicContact CB-CB 4.14Å; C3-F9 HydrophobicContact CB-CD1 4.09Å; C3-F9 WeakPolarHBondContact CB-O 3.44Å; C3-F9 PolarHBondContact N-O 3.06Å; C3-H25 VanDerWaalsContact SG-CE1 3.56Å; C3-H25 PolarHBondContact SG-ND1 2.91Å |
| 4 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -89.8 | -0.5 | -177.8 | -64.1 | 176.4 | 0 | 0 | 0 | 114.4 | P30 Q32 T59 P61 M89 P91 | L4-P30 HydrophobicContact CB-CB 4.48Å; L4-P30 WeakPolarHBondContact CB-O 3.45Å; L4-P30 HydrophobicContact CD1-CB 4.36Å; L4-P30 PolarHBondContact N-O 2.84Å; L4-Q32 HydrophobicContact CD1-CB 4.18Å; L4-Q32 HydrophobicContact CD2-CB 3.8Å; L4-Q32 HydrophobicContact CG-CB 4.09Å; L4-T59 HydrophobicContact CD1-CG2 4.27Å; L4-T59 WeakPolarHBondContact CD1-O 3.2Å; L4-P61 HydrophobicContact CB-CB 3.63Å; L4-P61 HydrophobicContact CD1-CB 3.93Å; L4-P61 HydrophobicContact CG-CB 4.35Å; L4-M89 HydrophobicContact CD2-CB 4.12Å; L4-M89 HydrophobicContact CD2-CG 4.43Å; L4-M89 PolarHBondContact O-N 3.39Å; L4-P91 HydrophobicContact CD1-CB 4.23Å; L4-P91 HydrophobicContact CD2-CB 4.03Å |
| 5 | K | 95 | Very high | 93.3 | Very high | 72 Ų | 72 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -116.5 | -25.5 | 176.9 | -70.8 | -172.9 | 176.8 | 179.2 | 0 | 113.7 | P61 M104 | K5-P61 WeakPolarHBondContact CE-O 3.45Å; K5-M104 VanDerWaalsContact O-CE 3.3Å; K5-M104 WeakPolarHBondContact O-CE 3.46Å |
| 6 | C | 94.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 10% | 0.101 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -95.8 | 136.7 | -179.3 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | C3 D8 F9 R24 H25 H29 | C3-C6 HydrophobicContact CB-CB 4Å; C3-C6 VanDerWaalsContact SG-CB 3.57Å; C3-C6 PolarHBondContact SG-N 2.97Å; C3-C6 PolarHBondContact SG-SG 3.29Å; C6-D8 PolarHBondContact O-N 3Å; C6-F9 HydrophobicContact CB-CB 3.54Å; C6-F9 HydrophobicContact CB-CG 4.25Å; C6-R24 PolarHBondContact SG-O 2.85Å; C6-R24 VanDerWaalsContact SG-O 3.33Å; C6-H25 PolarHBondContact SG-ND1 3.34Å; C6-H29 PolarHBondContact SG-ND1 3.15Å |
| 7 | F | 92.4 | Very high | 93.2 | Very high | 141 Ų | 141 | 62.4 Ų | 62.4 | 62% | 0.618 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 128.1 | 170.4 | -175 | -95.1 | 0 | 0 | 0 | 110 | F9 N102 M104 | F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.49Å; F7-N102 HydrophobicContact CD2-CB 4.36Å; F7-N102 HydrophobicContact CE2-CB 3.87Å; F7-N102 HydrophobicContact CZ-CB 4.27Å; F7-M104 HydrophobicContact CB-SD 4Å; F7-M104 HydrophobicContact CD2-CG 4.39Å; F7-M104 HydrophobicContact CD2-SD 4.09Å |
| 8 | D | 91 | Very high | 93.3 | Very high | 99 Ų | 99 | 67.7 Ų | 67.7 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 41.4 | 172.8 | -156.5 | 37.8 | 0 | 0 | 0 | 114.9 | C6 N102 | C6-D8 PolarHBondContact O-N 3Å; D8-N102 PolarHBondContact OD1-ND2 3.23Å |
| 9 | F | 93.8 | Very high | 93.3 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | trans | -117.9 | 117.1 | 178.9 | -164.4 | -84.4 | 0 | 0 | 0 | 111.4 | C3 C6 F7 L11 F20 H25 | C3-F9 HydrophobicContact CB-CB 4.14Å; C3-F9 HydrophobicContact CB-CD1 4.09Å; C3-F9 WeakPolarHBondContact CB-O 3.44Å; C3-F9 PolarHBondContact N-O 3.06Å; C6-F9 HydrophobicContact CB-CB 3.54Å; C6-F9 HydrophobicContact CB-CG 4.25Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.49Å; F9-L11 HydrophobicContact CD1-CG 4.36Å; F9-L11 HydrophobicContact CE1-CD1 4.1Å; F9-L11 HydrophobicContact CE1-CD2 3.56Å; F9-L11 HydrophobicContact CE1-CG 3.65Å; F9-L11 HydrophobicContact CZ-CD2 3.92Å; F9-L11 HydrophobicContact CZ-CG 4.49Å; F9-F20 HydrophobicContact CZ-CD1 4.37Å; F9-F20 HydrophobicContact CZ-CE1 4.14Å; F9-H25 HydrophobicContact CD1-CB 4.33Å; F9-H25 AromaticContact CD1-CD2 3.97Å; F9-H25 AromaticContact CD1-CE1 3.94Å; F9-H25 AromaticContact CD1-CG 3.75Å; F9-H25 AromaticContact CD1-ND1 3.74Å; F9-H25 HydrophobicContact CD2-CB 4.34Å; F9-H25 HydrophobicContact CE1-CB 3.93Å; F9-H25 AromaticContact CE1-CD2 3.18Å; F9-H25 WeakPolarHBondContact CE1-CD2 3.49Å; F9-H25 AromaticContact CE1-CE1 3.86Å; F9-H25 AromaticContact CE1-CG 3.33Å; F9-H25 AromaticContact CE1-ND1 3.76Å; F9-H25 AromaticContact CE1-NE2 3.51Å; F9-H25 HydrophobicContact CE2-CB 3.94Å; F9-H25 HydrophobicContact CZ-CB 3.72Å; F9-H25 AromaticContact CZ-CD2 3.57Å; F9-H25 AromaticContact CZ-CG 3.63Å | ||
| 10 | D | 93.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 67.6 Ų | 67.6 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -126.8 | 141.8 | 179.2 | -56.6 | -44.8 | 0 | 0 | 0 | 110.2 | M1 K2 | M1-D10 CarbonylContact O-C 3.4Å; M1-D10 VanDerWaalsContact O-CA 3.28Å; M1-D10 WeakPolarHBondContact O-CA 3.38Å; K2-D10 VanDerWaalsContact CA-OD1 3.28Å; K2-D10 WeakPolarHBondContact CA-OD1 3.4Å; K2-D10 WeakPolarHBondContact CB-OD1 3.33Å; K2-D10 WeakPolarHBondContact CG-OD1 3.41Å; K2-D10 IonicContact NZ-OD1 3.29Å; K2-D10 PolarHBondContact NZ-OD1 3.29Å; K2-D10 IonicContact NZ-OD2 3.41Å; K2-D10 PolarHBondContact NZ-OD2 3.05Å |
| 11 | L | 92.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | trans | -117.7 | 143.4 | 171.5 | -63.8 | -179.3 | 0 | 0 | 0 | 109.8 | M1 F9 C15 F20 M31 | M1-L11 PolarHBondContact N-O 2.91Å; M1-L11 PolarHBondContact O-N 3.28Å; F9-L11 HydrophobicContact CD1-CG 4.36Å; F9-L11 HydrophobicContact CE1-CD1 4.1Å; F9-L11 HydrophobicContact CE1-CD2 3.56Å; F9-L11 HydrophobicContact CE1-CG 3.65Å; F9-L11 HydrophobicContact CZ-CD2 3.92Å; F9-L11 HydrophobicContact CZ-CG 4.49Å; L11-C15 HydrophobicContact CB-CB 4.16Å; L11-C15 HydrophobicContact CD2-CB 4.05Å; L11-F20 HydrophobicContact CD1-CB 4.36Å; L11-F20 HydrophobicContact CD1-CD1 4.47Å; L11-F20 HydrophobicContact CD2-CD1 3.65Å; L11-F20 HydrophobicContact CD2-CE1 4.28Å; L11-F20 HydrophobicContact CD2-CG 4.37Å; L11-M31 HydrophobicContact CB-CE 4.16Å; L11-M31 HydrophobicContact CD1-CE 4.21Å; L11-M31 HydrophobicContact CD1-SD 4.01Å | ||
| 12 | C | 93.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 48% | 0.48 | 36% | 0.359 | S | S | . | . | trans | -68.3 | 165.8 | 162.8 | 69.8 | 0 | 0 | 0 | 0 | 110.1 | I14 C15 Y16 | C12-I14 VanDerWaalsContact C-N 3.26Å; C12-I14 PolarHBondContact O-N 3.4Å; C12-C15 PolarHBondContact O-N 3.18Å; C12-C15 PolarHBondContact SG-N 3.48Å; C12-C15 VanDerWaalsContact SG-N 3.41Å; C12-Y16 PolarHBondContact O-N 2.93Å | ||
| 13 | E | 88.4 | Confident | 93.6 | Very high | 127 Ų | 127 | 78 Ų | 78 | 59% | 0.593 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.1 | -43.1 | 177.9 | 179.4 | 174.7 | -167.2 | 0 | 0 | 112.3 | Y16 N17 | E13-Y16 PolarHBondContact O-N 3.16Å; E13-N17 WeakPolarHBondContact O-CB 3.35Å; E13-N17 PolarHBondContact O-N 3.23Å; E13-N17 PolarHBondContact O-ND2 3.26Å |
| 14 | I | 93.6 | Very high | 93.4 | Very high | 124 Ų | 124 | 88.5 Ų | 88.5 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.4 | -50.7 | 179.9 | -57.8 | 172.7 | 0 | 0 | 0 | 110.8 | C12 Y16 N17 E18 | C12-I14 VanDerWaalsContact C-N 3.26Å; C12-I14 PolarHBondContact O-N 3.4Å; I14-Y16 VanDerWaalsContact C-N 3.26Å; I14-Y16 PolarHBondContact O-N 3.08Å; I14-N17 PolarHBondContact O-N 3.49Å; I14-E18 HydrophobicContact CG2-CG 4.31Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 VanDerWaalsContact O-CG 3.31Å; I14-E18 WeakPolarHBondContact O-CG 3.47Å; I14-E18 PolarHBondContact O-N 3.3Å |
| 15 | C | 95.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 88.6 Ų | 88.6 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 179.8 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | L11 C12 G19 F20 | L11-C15 HydrophobicContact CB-CB 4.16Å; L11-C15 HydrophobicContact CD2-CB 4.05Å; C12-C15 PolarHBondContact O-N 3.18Å; C12-C15 PolarHBondContact SG-N 3.48Å; C12-C15 VanDerWaalsContact SG-N 3.41Å; C15-G19 PolarHBondContact O-N 2.99Å; C15-F20 HydrophobicContact CB-CB 4.06Å; C15-F20 WeakPolarHBondContact O-CB 3.49Å; C15-F20 PolarHBondContact O-N 2.83Å |
| 16 | Y | 93.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 87.6 Ų | 87.6 | 33% | 0.333 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 173.6 | 175.5 | -116.4 | 0 | 0 | 0 | 111.6 | M1 C12 E13 I14 E18 G19 M31 | M1-Y16 HydrophobicContact CE-CD1 4.3Å; M1-Y16 HydrophobicContact CE-CE1 4.11Å; M1-Y16 HydrophobicContact SD-CD1 3.26Å; M1-Y16 WeakPolarHBondContact SD-CD1 2.99Å; M1-Y16 HydrophobicContact SD-CD2 4.33Å; M1-Y16 HydrophobicContact SD-CE1 3.68Å; M1-Y16 HydrophobicContact SD-CG 3.59Å; M1-Y16 VanDerWaalsContact SD-CG 3.59Å; C12-Y16 PolarHBondContact O-N 2.93Å; E13-Y16 PolarHBondContact O-N 3.16Å; I14-Y16 VanDerWaalsContact C-N 3.26Å; I14-Y16 PolarHBondContact O-N 3.08Å; Y16-E18 VanDerWaalsContact C-N 3.3Å; Y16-E18 PolarHBondContact O-N 3.33Å; Y16-G19 PolarHBondContact O-N 3.32Å; Y16-M31 HydrophobicContact CD1-CE 4.5Å; Y16-M31 HydrophobicContact CD2-CE 3.01Å; Y16-M31 HydrophobicContact CD2-CG 4.31Å; Y16-M31 HydrophobicContact CD2-SD 3.59Å; Y16-M31 VanDerWaalsContact CD2-SD 3.59Å; Y16-M31 HydrophobicContact CE2-CB 4.28Å; Y16-M31 HydrophobicContact CE2-CE 3.61Å; Y16-M31 HydrophobicContact CE2-CG 4.01Å; Y16-M31 HydrophobicContact CE2-SD 3.89Å; Y16-M31 HydrophobicContact CG-CE 3.51Å |
| 17 | N | 92.4 | Very high | 93.2 | Very high | 106 Ų | 106 | 89.7 Ų | 89.7 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.2 | -33.4 | -178.3 | -69.6 | -14.9 | 0 | 0 | 0 | 112.6 | E13 I14 G19 | E13-N17 WeakPolarHBondContact O-CB 3.35Å; E13-N17 PolarHBondContact O-N 3.23Å; E13-N17 PolarHBondContact O-ND2 3.26Å; I14-N17 PolarHBondContact O-N 3.49Å; N17-G19 PolarHBondContact O-N 3.01Å |
| 18 | E | 95.3 | Very high | 93.3 | Very high | 158 Ų | 158 | 89.1 Ų | 89.1 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.4 | 173.6 | -66 | -62.3 | 140.4 | 0 | 0 | 113.3 | I14 Y16 | I14-E18 HydrophobicContact CG2-CG 4.31Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 VanDerWaalsContact O-CG 3.31Å; I14-E18 WeakPolarHBondContact O-CG 3.47Å; I14-E18 PolarHBondContact O-N 3.3Å; Y16-E18 VanDerWaalsContact C-N 3.3Å; Y16-E18 PolarHBondContact O-N 3.33Å |
| 19 | G | 93.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 86 Ų | 86 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 34.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | C15 Y16 N17 S21 | C15-G19 PolarHBondContact O-N 2.99Å; Y16-G19 PolarHBondContact O-N 3.32Å; N17-G19 PolarHBondContact O-N 3.01Å; G19-S21 PolarHBondContact O-N 3.48Å |
| 20 | F | 94.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 84.3 Ų | 84.3 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | trans | -55.5 | 128.6 | 179.5 | -178 | -91.4 | 0 | 0 | 0 | 111.1 | F9 L11 C15 T22 | F9-F20 HydrophobicContact CZ-CD1 4.37Å; F9-F20 HydrophobicContact CZ-CE1 4.14Å; L11-F20 HydrophobicContact CD1-CB 4.36Å; L11-F20 HydrophobicContact CD1-CD1 4.47Å; L11-F20 HydrophobicContact CD2-CD1 3.65Å; L11-F20 HydrophobicContact CD2-CE1 4.28Å; L11-F20 HydrophobicContact CD2-CG 4.37Å; C15-F20 HydrophobicContact CB-CB 4.06Å; C15-F20 WeakPolarHBondContact O-CB 3.49Å; C15-F20 PolarHBondContact O-N 2.83Å; F20-T22 HydrophobicContact CE1-CG2 3.63Å; F20-T22 HydrophobicContact CZ-CG2 3.89Å | ||
| 21 | S | 95.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 81.4 Ų | 81.4 | 46% | 0.462 | 43% | 0.425 | S | S | . | . | trans | -141.3 | 158 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | G19 H25 | G19-S21 PolarHBondContact O-N 3.48Å; S21-H25 CarbonylContact C-O 3.41Å; S21-H25 VanDerWaalsContact CA-O 3.23Å; S21-H25 WeakPolarHBondContact CA-O 3.24Å; S21-H25 VanDerWaalsContact CB-O 3.24Å; S21-H25 WeakPolarHBondContact CB-O 3.44Å | ||
| 22 | T | 94.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 81 Ų | 81 | 36% | 0.356 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 170.9 | 174.7 | 70.6 | 0 | 0 | 0 | 0 | 109.5 | F20 R24 H25 | F20-T22 HydrophobicContact CE1-CG2 3.63Å; F20-T22 HydrophobicContact CZ-CG2 3.89Å; T22-R24 PolarHBondContact O-N 2.88Å; T22-R24 PolarHBondContact OG1-N 2.91Å; T22-H25 PolarHBondContact N-O 2.97Å; T22-H25 CarbonylContact O-C 3.53Å; T22-H25 PolarHBondContact O-N 3.16Å; T22-H25 VanDerWaalsContact O-O 3.06Å; T22-H25 PolarHBondContact OG1-N 3.14Å; T22-H25 VanDerWaalsContact OG1-N 3.13Å |
| 23 | E | 93.1 | Very high | 93.6 | Very high | 201 Ų | 201 | 79.3 Ų | 79.3 | 94% | 0.939 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.2 | 174.9 | -63.5 | -176.8 | 167.5 | 0 | 0 | 113.7 | ||
| 24 | R | 91.3 | Very high | 93.6 | Very high | 223 Ų | 223 | 76.1 Ų | 76.1 | 84% | 0.842 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6 | 179.3 | -66.5 | -171.9 | -114.7 | -142.1 | -2 | 114 | C6 T22 | C6-R24 PolarHBondContact SG-O 2.85Å; C6-R24 VanDerWaalsContact SG-O 3.33Å; T22-R24 PolarHBondContact O-N 2.88Å; T22-R24 PolarHBondContact OG1-N 2.91Å |
| 25 | H | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.009 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -138.2 | 87 | 177.7 | 179 | 69.6 | 0 | 0 | 0 | 109.6 | C3 C6 F9 S21 T22 H29 | C3-H25 VanDerWaalsContact SG-CE1 3.56Å; C3-H25 PolarHBondContact SG-ND1 2.91Å; C6-H25 PolarHBondContact SG-ND1 3.34Å; F9-H25 HydrophobicContact CD1-CB 4.33Å; F9-H25 AromaticContact CD1-CD2 3.97Å; F9-H25 AromaticContact CD1-CE1 3.94Å; F9-H25 AromaticContact CD1-CG 3.75Å; F9-H25 AromaticContact CD1-ND1 3.74Å; F9-H25 HydrophobicContact CD2-CB 4.34Å; F9-H25 HydrophobicContact CE1-CB 3.93Å; F9-H25 AromaticContact CE1-CD2 3.18Å; F9-H25 WeakPolarHBondContact CE1-CD2 3.49Å; F9-H25 AromaticContact CE1-CE1 3.86Å; F9-H25 AromaticContact CE1-CG 3.33Å; F9-H25 AromaticContact CE1-ND1 3.76Å; F9-H25 AromaticContact CE1-NE2 3.51Å; F9-H25 HydrophobicContact CE2-CB 3.94Å; F9-H25 HydrophobicContact CZ-CB 3.72Å; F9-H25 AromaticContact CZ-CD2 3.57Å; F9-H25 AromaticContact CZ-CG 3.63Å; S21-H25 CarbonylContact C-O 3.41Å; S21-H25 VanDerWaalsContact CA-O 3.23Å; S21-H25 WeakPolarHBondContact CA-O 3.24Å; S21-H25 VanDerWaalsContact CB-O 3.24Å; S21-H25 WeakPolarHBondContact CB-O 3.44Å; T22-H25 PolarHBondContact N-O 2.97Å; T22-H25 CarbonylContact O-C 3.53Å; T22-H25 PolarHBondContact O-N 3.16Å; T22-H25 VanDerWaalsContact O-O 3.06Å; T22-H25 PolarHBondContact OG1-N 3.14Å; T22-H25 VanDerWaalsContact OG1-N 3.13Å; H25-H29 AromaticContact ND1-ND1 3.85Å |
| 26 | P | 94.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 73.7 Ų | 73.7 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | trans | -56.3 | 143.6 | 164.1 | -26.8 | 37.3 | 0 | 0 | 0 | 112.1 | D28 H29 | P26-D28 WeakPolarHBondContact CB-OD1 3.32Å; P26-D28 PolarHBondContact O-N 3.32Å; P26-H29 PolarHBondContact O-N 3.12Å | ||
| 27 | A | 93.7 | Very high | 91.1 | Very high | 59 Ų | 59 | 75.4 Ų | 75.4 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H29 | A27-H29 VanDerWaalsContact C-N 3.32Š|
| 28 | D | 93.7 | Very high | 90.3 | Very high | 129 Ų | 129 | 75.8 Ų | 75.8 | 69% | 0.69 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.4 | 179 | 68.9 | -8.6 | 0 | 0 | 0 | 113.3 | P26 P30 | P26-D28 WeakPolarHBondContact CB-OD1 3.32Å; P26-D28 PolarHBondContact O-N 3.32Å; D28-P30 WeakPolarHBondContact O-CD 3.43Å |
| 29 | H | 95.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -68.3 | 129.7 | 175.4 | -80.5 | -160.7 | 0 | 0 | 0 | 110.9 | C6 H25 P26 A27 M31 | C6-H29 PolarHBondContact SG-ND1 3.15Å; H25-H29 AromaticContact ND1-ND1 3.85Å; P26-H29 PolarHBondContact O-N 3.12Å; A27-H29 VanDerWaalsContact C-N 3.32Å; H29-M31 VanDerWaalsContact O-CG 3.29Å; H29-M31 WeakPolarHBondContact O-CG 3.47Å; H29-M31 PolarHBondContact O-N 3.43Å |
| 30 | P | 96 | Very high | 88.5 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 7% | 0.071 | 36% | 0.363 | C | S | . | . | trans | -56.3 | 136.5 | 173.9 | -31.5 | 40.7 | 0 | 0 | 0 | 112.3 | L4 D28 T59 P61 | L4-P30 HydrophobicContact CB-CB 4.48Å; L4-P30 WeakPolarHBondContact CB-O 3.45Å; L4-P30 HydrophobicContact CD1-CB 4.36Å; L4-P30 PolarHBondContact N-O 2.84Å; D28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-T59 HydrophobicContact CB-CG2 4.21Å; P30-P61 WeakPolarHBondContact CG-O 3.32Å | ||
| 31 | M | 95.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.6 | -179.9 | -50.8 | -153.9 | -15.7 | 0 | 0 | 111.8 | M1 K2 L11 Y16 H29 T59 | M1-M31 HydrophobicContact CB-CE 3.26Å; M1-M31 HydrophobicContact CE-CB 4.48Å; M1-M31 HydrophobicContact CG-CE 4.19Å; M1-M31 HydrophobicContact SD-CE 4.02Å; K2-M31 CarbonylContact O-C 3.51Å; K2-M31 VanDerWaalsContact O-CA 3.28Å; K2-M31 WeakPolarHBondContact O-CA 3.36Å; L11-M31 HydrophobicContact CB-CE 4.16Å; L11-M31 HydrophobicContact CD1-CE 4.21Å; L11-M31 HydrophobicContact CD1-SD 4.01Å; Y16-M31 HydrophobicContact CD1-CE 4.5Å; Y16-M31 HydrophobicContact CD2-CE 3.01Å; Y16-M31 HydrophobicContact CD2-CG 4.31Å; Y16-M31 HydrophobicContact CD2-SD 3.59Å; Y16-M31 VanDerWaalsContact CD2-SD 3.59Å; Y16-M31 HydrophobicContact CE2-CB 4.28Å; Y16-M31 HydrophobicContact CE2-CE 3.61Å; Y16-M31 HydrophobicContact CE2-CG 4.01Å; Y16-M31 HydrophobicContact CE2-SD 3.89Å; Y16-M31 HydrophobicContact CG-CE 3.51Å; H29-M31 VanDerWaalsContact O-CG 3.29Å; H29-M31 WeakPolarHBondContact O-CG 3.47Å; H29-M31 PolarHBondContact O-N 3.43Å; M31-T59 WeakPolarHBondContact O-CB 3.43Å; M31-T59 PolarHBondContact O-OG1 2.87Å |
| 32 | Q | 93.9 | Very high | 87 | Confident | 8 Ų | 8 | 72.5 Ų | 72.5 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131 | 174.4 | 179.2 | 62.1 | 49.3 | 0 | 0 | 109.7 | M1 K2 L4 I34 S57 P91 | M1-Q32 CarbonylContact C-O 3.43Å; M1-Q32 VanDerWaalsContact CA-O 3.28Å; M1-Q32 WeakPolarHBondContact CA-O 3.28Å; K2-Q32 PolarHBondContact N-O 3.24Å; K2-Q32 PolarHBondContact O-N 2.99Å; L4-Q32 HydrophobicContact CD1-CB 4.18Å; L4-Q32 HydrophobicContact CD2-CB 3.8Å; L4-Q32 HydrophobicContact CG-CB 4.09Å; Q32-I34 HydrophobicContact CB-CD1 4.32Å; Q32-I34 HydrophobicContact CG-CD1 3.69Å; Q32-I34 PolarHBondContact O-N 2.68Å; Q32-S57 PolarHBondContact NE2-O 3.38Å; Q32-P91 HydrophobicContact CG-CB 4.33Å |
| 33 | C | 90.7 | Very high | 86 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | trans | -71.6 | 126.2 | 167.2 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | M1 | M1-C33 HydrophobicContact CE-CB 4Š| ||
| 34 | I | 86.9 | Confident | 85 | Confident | 60 Ų | 60 | 68 Ų | 68 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | trans | -109.5 | 106.5 | 175.5 | -53 | -56.6 | 0 | 0 | 0 | 106.5 | K2 Q32 A94 | K2-I34 HydrophobicContact CB-CD1 4.19Å; K2-I34 HydrophobicContact CB-CG1 3.7Å; Q32-I34 HydrophobicContact CB-CD1 4.32Å; Q32-I34 HydrophobicContact CG-CD1 3.69Å; Q32-I34 PolarHBondContact O-N 2.68Å; I34-A94 HydrophobicContact CD1-CB 4.06Å; I34-A94 WeakPolarHBondContact CD1-O 3.37Å | ||
| 35 | L | 80.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | trans | -82.9 | 130.3 | 175.9 | -62.2 | 178.8 | 0 | 0 | 0 | 109 | D39 Y40 I43 F44 | L35-D39 HydrophobicContact CD2-CB 4.49Å; L35-Y40 HydrophobicContact CB-CD2 4.22Å; L35-Y40 HydrophobicContact CD1-CD2 3.86Å; L35-Y40 HydrophobicContact CD1-CE2 4.28Å; L35-I43 HydrophobicContact CD1-CD1 4.47Å; L35-I43 HydrophobicContact CD2-CD1 4.18Å; L35-F44 HydrophobicContact CD1-CE2 4.17Å | ||
| 36 | T | 77 | Confident | 82.6 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | trans | -68.7 | 162.4 | 168.3 | 71 | 0 | 0 | 0 | 0 | 109.6 | D38 D39 Y40 | T36-D38 PolarHBondContact O-N 3.29Å; T36-D39 WeakPolarHBondContact CB-OD2 3.47Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.11Å; T36-D39 PolarHBondContact N-OD2 3.2Å; T36-D39 PolarHBondContact O-N 3.4Å; T36-D39 PolarHBondContact OG1-N 3.42Å; T36-D39 VanDerWaalsContact OG1-N 3.1Å; T36-D39 PolarHBondContact OG1-OD2 2.75Å; T36-Y40 WeakPolarHBondContact O-CB 3.19Å; T36-Y40 PolarHBondContact O-N 3.32Å | ||
| 37 | R | 73.1 | Confident | 81 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.6 | -41.4 | 174.8 | -177.2 | 177.4 | -180 | 150.7 | 7.7 | 110.9 | Y40 D41 A49 E50 | R37-Y40 VanDerWaalsContact O-CB 3.31Å; R37-Y40 WeakPolarHBondContact O-CB 3.06Å; R37-Y40 PolarHBondContact O-N 2.72Å; R37-D41 IonicContact NE-OD2 3.97Å; R37-D41 VanDerWaalsContact O-CG 3.3Å; R37-D41 PolarHBondContact O-N 2.69Å; R37-A49 HydrophobicContact CG-CB 4.01Å; R37-E50 IonicContact NH2-OE1 3.1Å; R37-E50 PolarHBondContact NH2-OE1 3.05Å; R37-E50 VanDerWaalsContact NH2-OE1 3.1Å |
| 38 | D | 76.1 | Confident | 79.1 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 179.6 | -61.8 | -21.8 | 0 | 0 | 0 | 111.3 | T36 Y40 D41 L42 | T36-D38 PolarHBondContact O-N 3.29Å; D38-Y40 VanDerWaalsContact C-N 3.25Å; D38-Y40 PolarHBondContact O-N 2.8Å; D38-D41 PolarHBondContact O-N 3.42Å; D38-L42 WeakPolarHBondContact O-CB 3.47Å; D38-L42 VanDerWaalsContact O-CG 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.46Å; D38-L42 PolarHBondContact O-N 2.99Å |
| 39 | D | 78.2 | Confident | 77.3 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.6 | -59.3 | -40.3 | 0 | 0 | 0 | 111 | L35 T36 L42 I43 | L35-D39 HydrophobicContact CD2-CB 4.49Å; T36-D39 WeakPolarHBondContact CB-OD2 3.47Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.11Å; T36-D39 PolarHBondContact N-OD2 3.2Å; T36-D39 PolarHBondContact O-N 3.4Å; T36-D39 PolarHBondContact OG1-N 3.42Å; T36-D39 VanDerWaalsContact OG1-N 3.1Å; T36-D39 PolarHBondContact OG1-OD2 2.75Å; D39-L42 PolarHBondContact O-N 2.67Å; D39-I43 HydrophobicContact CB-CD1 4.44Å; D39-I43 WeakPolarHBondContact O-CB 3.45Å; D39-I43 WeakPolarHBondContact O-CD1 3.01Å; D39-I43 WeakPolarHBondContact O-CG1 3.43Å; D39-I43 PolarHBondContact O-N 3.26Å |
| 40 | Y | 72.3 | Confident | 75.4 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 14% | 0.137 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 177 | -152.7 | -98 | 0 | 0 | 0 | 111.6 | L35 T36 R37 D38 L42 I43 F44 G48 A49 M54 | L35-Y40 HydrophobicContact CB-CD2 4.22Å; L35-Y40 HydrophobicContact CD1-CD2 3.86Å; L35-Y40 HydrophobicContact CD1-CE2 4.28Å; T36-Y40 WeakPolarHBondContact O-CB 3.19Å; T36-Y40 PolarHBondContact O-N 3.32Å; R37-Y40 VanDerWaalsContact O-CB 3.31Å; R37-Y40 WeakPolarHBondContact O-CB 3.06Å; R37-Y40 PolarHBondContact O-N 2.72Å; D38-Y40 VanDerWaalsContact C-N 3.25Å; D38-Y40 PolarHBondContact O-N 2.8Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.93Å; Y40-I43 PolarHBondContact O-N 3.44Å; Y40-F44 HydrophobicContact CD1-CD2 4.21Å; Y40-F44 AromaticContact CD2-CD2 4Å; Y40-F44 HydrophobicContact CD2-CD2 4Å; Y40-F44 AromaticContact CD2-CE2 3.95Å; Y40-F44 HydrophobicContact CD2-CE2 3.95Å; Y40-F44 HydrophobicContact CE1-CD2 4.34Å; Y40-F44 HydrophobicContact CE2-CD2 4.12Å; Y40-F44 AromaticContact CE2-CE2 3.89Å; Y40-F44 HydrophobicContact CE2-CE2 3.89Å; Y40-F44 HydrophobicContact CG-CD2 4.07Å; Y40-F44 HydrophobicContact CG-CE2 4.48Å; Y40-F44 WeakPolarHBondContact O-CB 3.31Å; Y40-F44 VanDerWaalsContact O-CD2 3.28Å; Y40-F44 WeakPolarHBondContact O-CD2 3.42Å; Y40-F44 PolarHBondContact O-N 2.8Å; Y40-G48 VanDerWaalsContact CE1-CA 3.4Å; Y40-G48 WeakPolarHBondContact CE1-O 3.06Å; Y40-A49 HydrophobicContact CD1-CB 4.29Å; Y40-M54 HydrophobicContact CD1-CE 4.13Å; Y40-M54 HydrophobicContact CD1-SD 4.41Å; Y40-M54 HydrophobicContact CE1-CE 3.3Å; Y40-M54 HydrophobicContact CE1-CG 4.29Å; Y40-M54 HydrophobicContact CE1-SD 3.33Å; Y40-M54 WeakPolarHBondContact CE1-SD 3.24Å; Y40-M54 HydrophobicContact CE2-CE 3.88Å; Y40-M54 VanDerWaalsContact CZ-SD 3.51Å; Y40-M54 VanDerWaalsContact OH-CB 3.25Å; Y40-M54 WeakPolarHBondContact OH-CB 3.36Å; Y40-M54 WeakPolarHBondContact OH-CE 3.41Å; Y40-M54 WeakPolarHBondContact OH-CG 3.42Å; Y40-M54 PolarHBondContact OH-SD 3.5Å |
| 41 | D | 75.5 | Confident | 73.5 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | 180 | -68.4 | -19.4 | 0 | 0 | 0 | 111.3 | R37 D38 G45 G46 | R37-D41 IonicContact NE-OD2 3.97Å; R37-D41 VanDerWaalsContact O-CG 3.3Å; R37-D41 PolarHBondContact O-N 2.69Å; D38-D41 PolarHBondContact O-N 3.42Å; D41-G45 CarbonylContact O-C 3.42Å; D41-G45 VanDerWaalsContact O-CA 3.29Å; D41-G45 WeakPolarHBondContact O-CA 3.35Å; D41-G45 PolarHBondContact O-N 2.79Å; D41-G46 PolarHBondContact O-N 3.34Å |
| 42 | L | 82.5 | Confident | 71.6 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.3 | -45.6 | 175.1 | -72.9 | 170.8 | 0 | 0 | 0 | 112.7 | D38 D39 Y40 | D38-L42 WeakPolarHBondContact O-CB 3.47Å; D38-L42 VanDerWaalsContact O-CG 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.46Å; D38-L42 PolarHBondContact O-N 2.99Å; D39-L42 PolarHBondContact O-N 2.67Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.93Å |
| 43 | I | 73.1 | Confident | 69.6 | Low | 84 Ų | 84 | 80.3 Ų | 80.3 | 43% | 0.431 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.6 | -34.2 | -176.7 | -64.9 | 163.3 | 0 | 0 | 0 | 110.8 | L35 D39 Y40 | L35-I43 HydrophobicContact CD1-CD1 4.47Å; L35-I43 HydrophobicContact CD2-CD1 4.18Å; D39-I43 HydrophobicContact CB-CD1 4.44Å; D39-I43 WeakPolarHBondContact O-CB 3.45Å; D39-I43 WeakPolarHBondContact O-CD1 3.01Å; D39-I43 WeakPolarHBondContact O-CG1 3.43Å; D39-I43 PolarHBondContact O-N 3.26Å; Y40-I43 PolarHBondContact O-N 3.44Å |
| 44 | F | 72.6 | Confident | 68.1 | Low | 80 Ų | 80 | 80.1 Ų | 80.1 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -120.1 | 15.5 | -168.7 | -55.4 | -77.7 | 0 | 0 | 0 | 114.2 | L35 Y40 G46 M54 | L35-F44 HydrophobicContact CD1-CE2 4.17Å; Y40-F44 HydrophobicContact CD1-CD2 4.21Å; Y40-F44 AromaticContact CD2-CD2 4Å; Y40-F44 HydrophobicContact CD2-CD2 4Å; Y40-F44 AromaticContact CD2-CE2 3.95Å; Y40-F44 HydrophobicContact CD2-CE2 3.95Å; Y40-F44 HydrophobicContact CE1-CD2 4.34Å; Y40-F44 HydrophobicContact CE2-CD2 4.12Å; Y40-F44 AromaticContact CE2-CE2 3.89Å; Y40-F44 HydrophobicContact CE2-CE2 3.89Å; Y40-F44 HydrophobicContact CG-CD2 4.07Å; Y40-F44 HydrophobicContact CG-CE2 4.48Å; Y40-F44 WeakPolarHBondContact O-CB 3.31Å; Y40-F44 VanDerWaalsContact O-CD2 3.28Å; Y40-F44 WeakPolarHBondContact O-CD2 3.42Å; Y40-F44 PolarHBondContact O-N 2.8Å; F44-G46 VanDerWaalsContact C-N 3.35Å; F44-G46 PolarHBondContact O-N 3.17Å; F44-M54 HydrophobicContact CB-CE 3.31Å; F44-M54 HydrophobicContact CB-SD 4.22Å; F44-M54 HydrophobicContact CD1-CE 3.2Å; F44-M54 HydrophobicContact CD2-CE 3.06Å; F44-M54 HydrophobicContact CE1-CE 3.56Å; F44-M54 HydrophobicContact CE2-CE 3.43Å; F44-M54 VanDerWaalsContact CE2-CE 3.43Å; F44-M54 HydrophobicContact CG-CE 2.9Å; F44-M54 HydrophobicContact CG-SD 4.35Å; F44-M54 HydrophobicContact CZ-CE 3.66Å |
| 45 | G | 72.2 | Confident | 66.9 | Low | 64 Ų | 64 | 82.4 Ų | 82.4 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 23.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D41 D47 | D41-G45 CarbonylContact O-C 3.42Å; D41-G45 VanDerWaalsContact O-CA 3.29Å; D41-G45 WeakPolarHBondContact O-CA 3.35Å; D41-G45 PolarHBondContact O-N 2.79Å; G45-D47 PolarHBondContact O-N 3.41Å; G45-D47 VanDerWaalsContact O-N 3.14Å |
| 46 | G | 61.8 | Low | 66.7 | Low | 42 Ų | 42 | 83.6 Ų | 83.6 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D41 F44 G48 | D41-G46 PolarHBondContact O-N 3.34Å; F44-G46 VanDerWaalsContact C-N 3.35Å; F44-G46 PolarHBondContact O-N 3.17Å; G46-G48 PolarHBondContact O-N 2.87Å |
| 47 | D | 60.6 | Low | 67.2 | Low | 137 Ų | 137 | 83 Ų | 83 | 73% | 0.733 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -77.8 | 5.5 | 177.3 | -83 | -14.5 | 0 | 0 | 0 | 112.8 | G45 N51 | G45-D47 PolarHBondContact O-N 3.41Å; G45-D47 VanDerWaalsContact O-N 3.14Å; D47-N51 WeakPolarHBondContact O-CB 3.48Å |
| 48 | G | 54.4 | Low | 68.1 | Low | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -105.9 | -47.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116 | Y40 G46 E50 N51 M54 | Y40-G48 VanDerWaalsContact CE1-CA 3.4Å; Y40-G48 WeakPolarHBondContact CE1-O 3.06Å; G46-G48 PolarHBondContact O-N 2.87Å; G48-E50 PolarHBondContact O-N 3.04Å; G48-N51 PolarHBondContact O-N 3.49Å; G48-M54 WeakPolarHBondContact CA-SD 3.4Å |
| 49 | A | 55.2 | Low | 69.1 | Low | 46 Ų | 46 | 72.3 Ų | 72.3 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.9 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R37 Y40 | R37-A49 HydrophobicContact CG-CB 4.01Å; Y40-A49 HydrophobicContact CD1-CB 4.29Å |
| 50 | E | 55.7 | Low | 69.9 | Low | 161 Ų | 161 | 69.2 Ų | 69.2 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 0.5 | 177.2 | -59.4 | -174.8 | -167.9 | 0 | 0 | 112.7 | R37 G48 P52 | R37-E50 IonicContact NH2-OE1 3.1Å; R37-E50 PolarHBondContact NH2-OE1 3.05Å; R37-E50 VanDerWaalsContact NH2-OE1 3.1Å; G48-E50 PolarHBondContact O-N 3.04Å; E50-P52 WeakPolarHBondContact O-CD 3.39Å |
| 51 | N | 57.2 | Low | 71 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.353 | 38% | 0.375 | S | S | . | . | trans | -82.8 | 108 | 180 | -179.9 | -0.7 | 0 | 0 | 0 | 110.4 | D47 G48 Y53 M54 | D47-N51 WeakPolarHBondContact O-CB 3.48Å; G48-N51 PolarHBondContact O-N 3.49Å; N51-Y53 PolarHBondContact O-N 3.49Å; N51-Y53 VanDerWaalsContact O-N 3.07Å; N51-Y53 VanDerWaalsContact OD1-CB 3.29Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.47Å; N51-Y53 WeakPolarHBondContact OD1-CD2 3.26Å; N51-Y53 PolarHBondContact OD1-N 3.22Å; N51-M54 HydrophobicContact CB-CB 4.43Å; N51-M54 WeakPolarHBondContact O-CB 3.3Å; N51-M54 PolarHBondContact O-N 2.97Å; N51-M54 VanDerWaalsContact O-N 3.15Å | ||
| 52 | P | 54.3 | Low | 72 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.9 | -177.4 | 32.9 | -37.6 | 0 | 0 | 0 | 113.2 | E50 R118 | E50-P52 WeakPolarHBondContact O-CD 3.39Å; P52-R118 PolarHBondContact O-NH1 3.12Å |
| 53 | Y | 51.9 | Low | 72.6 | Confident | 195 Ų | 195 | 63.1 Ų | 63.1 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.5 | 177.8 | -58.9 | -75.3 | 0 | 0 | 0 | 113.1 | N51 | N51-Y53 PolarHBondContact O-N 3.49Å; N51-Y53 VanDerWaalsContact O-N 3.07Å; N51-Y53 VanDerWaalsContact OD1-CB 3.29Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.47Å; N51-Y53 WeakPolarHBondContact OD1-CD2 3.26Å; N51-Y53 PolarHBondContact OD1-N 3.22Å |
| 54 | M | 59.1 | Low | 73.6 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.2 | 127.3 | -174.8 | -157.9 | 154.1 | 150 | 0 | 0 | 111.3 | Y40 F44 G48 N51 R56 | Y40-M54 HydrophobicContact CD1-CE 4.13Å; Y40-M54 HydrophobicContact CD1-SD 4.41Å; Y40-M54 HydrophobicContact CE1-CE 3.3Å; Y40-M54 HydrophobicContact CE1-CG 4.29Å; Y40-M54 HydrophobicContact CE1-SD 3.33Å; Y40-M54 WeakPolarHBondContact CE1-SD 3.24Å; Y40-M54 HydrophobicContact CE2-CE 3.88Å; Y40-M54 VanDerWaalsContact CZ-SD 3.51Å; Y40-M54 VanDerWaalsContact OH-CB 3.25Å; Y40-M54 WeakPolarHBondContact OH-CB 3.36Å; Y40-M54 WeakPolarHBondContact OH-CE 3.41Å; Y40-M54 WeakPolarHBondContact OH-CG 3.42Å; Y40-M54 PolarHBondContact OH-SD 3.5Å; F44-M54 HydrophobicContact CB-CE 3.31Å; F44-M54 HydrophobicContact CB-SD 4.22Å; F44-M54 HydrophobicContact CD1-CE 3.2Å; F44-M54 HydrophobicContact CD2-CE 3.06Å; F44-M54 HydrophobicContact CE1-CE 3.56Å; F44-M54 HydrophobicContact CE2-CE 3.43Å; F44-M54 VanDerWaalsContact CE2-CE 3.43Å; F44-M54 HydrophobicContact CG-CE 2.9Å; F44-M54 HydrophobicContact CG-SD 4.35Å; F44-M54 HydrophobicContact CZ-CE 3.66Å; G48-M54 WeakPolarHBondContact CA-SD 3.4Å; N51-M54 HydrophobicContact CB-CB 4.43Å; N51-M54 WeakPolarHBondContact O-CB 3.3Å; N51-M54 PolarHBondContact O-N 2.97Å; N51-M54 VanDerWaalsContact O-N 3.15Å; M54-R56 PolarHBondContact O-N 3.41Å; M54-R56 VanDerWaalsContact O-N 3.09Å |
| 55 | P | 62.4 | Low | 74.7 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 71% | 0.708 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 116.4 | -174.6 | 25.4 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 56 | R | 76.5 | Confident | 75.7 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 128.1 | 165 | -68.8 | -174.5 | -70.6 | 163 | 2.3 | 107.7 | M54 F58 I96 | M54-R56 PolarHBondContact O-N 3.41Å; M54-R56 VanDerWaalsContact O-N 3.09Å; R56-F58 HydrophobicContact CB-CE1 4.03Å; R56-F58 HydrophobicContact CB-CE2 3.88Å; R56-F58 HydrophobicContact CB-CZ 3.48Å; R56-F58 VanDerWaalsContact CB-CZ 3.48Å; R56-F58 HydrophobicContact CG-CZ 4.41Å; R56-I96 VanDerWaalsContact NH1-CG1 3.27Å |
| 57 | S | 87 | Confident | 77.1 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 126.1 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | Q32 G67 | Q32-S57 PolarHBondContact NE2-O 3.38Å; S57-G67 WeakPolarHBondContact OG-CA 2.83Å; S57-G67 PolarHBondContact OG-N 2.96Å |
| 58 | F | 92.4 | Very high | 78.5 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 143.7 | -178.8 | -56.6 | -64.4 | 0 | 0 | 0 | 110.7 | R56 G67 H68 E70 L73 P91 I92 | R56-F58 HydrophobicContact CB-CE1 4.03Å; R56-F58 HydrophobicContact CB-CE2 3.88Å; R56-F58 HydrophobicContact CB-CZ 3.48Å; R56-F58 VanDerWaalsContact CB-CZ 3.48Å; R56-F58 HydrophobicContact CG-CZ 4.41Å; F58-G67 PolarHBondContact O-N 2.85Å; F58-H68 WeakPolarHBondContact CB-O 3.43Å; F58-H68 VanDerWaalsContact CD2-O 3.3Å; F58-H68 WeakPolarHBondContact CD2-O 3.46Å; F58-H68 PolarHBondContact N-O 3.31Å; F58-H68 PolarHBondContact O-CD2 2.92Å; F58-H68 PolarHBondContact O-N 3.44Å; F58-H68 VanDerWaalsContact O-N 3.14Å; F58-E70 HydrophobicContact CE2-CB 4.29Å; F58-L73 HydrophobicContact CB-CD2 4.06Å; F58-P91 HydrophobicContact CB-CB 4.12Å; F58-P91 HydrophobicContact CB-CG 4.08Å; F58-P91 HydrophobicContact CD1-CB 4.1Å; F58-P91 HydrophobicContact CG-CB 4.47Å; F58-I92 HydrophobicContact CD1-CG1 4.14Å; F58-I92 HydrophobicContact CD2-CG1 3.99Å; F58-I92 HydrophobicContact CE1-CB 4.23Å; F58-I92 HydrophobicContact CE1-CG1 3.87Å; F58-I92 HydrophobicContact CE2-CG1 3.71Å; F58-I92 HydrophobicContact CG-CG1 4.2Å; F58-I92 HydrophobicContact CZ-CB 4.2Å; F58-I92 HydrophobicContact CZ-CG1 3.63Å; F58-I92 HydrophobicContact CZ-CG2 4.2Å |
| 59 | T | 95.5 | Very high | 80.1 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | trans | -91.2 | 132.5 | 172.1 | -53 | 0 | 0 | 0 | 0 | 109.5 | L4 P30 M31 D65 M66 | L4-T59 HydrophobicContact CD1-CG2 4.27Å; L4-T59 WeakPolarHBondContact CD1-O 3.2Å; P30-T59 HydrophobicContact CB-CG2 4.21Å; M31-T59 WeakPolarHBondContact O-CB 3.43Å; M31-T59 PolarHBondContact O-OG1 2.87Å; T59-D65 CarbonylContact C-O 3.19Å; T59-D65 VanDerWaalsContact CA-O 3.31Å; T59-D65 WeakPolarHBondContact CA-O 3.29Å; T59-M66 HydrophobicContact CG2-CG 3.95Å | ||
| 60 | C | 95.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -64.4 | 122.2 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | Y62 C63 G64 D65 L73 H76 H81 | C60-Y62 PolarHBondContact O-N 2.91Å; C60-C63 VanDerWaalsContact CB-SG 3.55Å; C60-C63 PolarHBondContact SG-SG 3.23Å; C60-G64 VanDerWaalsContact O-CA 3.3Å; C60-G64 WeakPolarHBondContact O-CA 3.37Å; C60-G64 PolarHBondContact O-N 3.13Å; C60-D65 HydrophobicContact CB-CB 4.42Å; C60-D65 PolarHBondContact N-O 3.13Å; C60-L73 HydrophobicContact CB-CD1 4.1Å; C60-H76 PolarHBondContact SG-CD2 2.93Å; C60-H76 PolarHBondContact SG-NE2 3.38Å; C60-H81 VanDerWaalsContact SG-CD2 3.6Å | ||
| 61 | P | 95.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.8 | -175.3 | 31.2 | -37.3 | 0 | 0 | 0 | 113.8 | L4 K5 P30 V88 L108 | L4-P61 HydrophobicContact CB-CB 3.63Å; L4-P61 HydrophobicContact CD1-CB 3.93Å; L4-P61 HydrophobicContact CG-CB 4.35Å; K5-P61 WeakPolarHBondContact CE-O 3.45Å; P30-P61 WeakPolarHBondContact CG-O 3.32Å; P61-V88 HydrophobicContact CB-CB 3.72Å; P61-V88 HydrophobicContact CB-CG1 3.93Å; P61-V88 HydrophobicContact CB-CG2 4.17Å; P61-V88 HydrophobicContact CG-CB 3.87Å; P61-V88 HydrophobicContact CG-CG1 4.22Å; P61-V88 HydrophobicContact CG-CG2 3.73Å; P61-L108 HydrophobicContact CG-CD2 3.45Å; P61-L108 VanDerWaalsContact CG-CD2 3.45Å |
| 62 | Y | 95.6 | Very high | 84.5 | Confident | 29 Ų | 29 | 51 Ų | 51 | 11% | 0.114 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -49.4 | -179.3 | -61.8 | -71.1 | 0 | 0 | 0 | 111.9 | C60 V77 H81 A84 V88 L108 | C60-Y62 PolarHBondContact O-N 2.91Å; Y62-V77 HydrophobicContact CD2-CG1 4.15Å; Y62-V77 HydrophobicContact CD2-CG2 4.24Å; Y62-V77 HydrophobicContact CE2-CG1 3.69Å; Y62-V77 HydrophobicContact CE2-CG2 4.31Å; Y62-H81 HydrophobicContact CD2-CB 4.03Å; Y62-H81 AromaticContact CD2-CD2 3.85Å; Y62-H81 HydrophobicContact CG-CB 4.27Å; Y62-A84 HydrophobicContact CD1-CB 3.66Å; Y62-A84 HydrophobicContact CE1-CB 3.44Å; Y62-A84 VanDerWaalsContact CE1-CB 3.44Å; Y62-A84 HydrophobicContact CG-CB 4.29Å; Y62-V88 HydrophobicContact CD1-CG1 3.79Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.47Å; Y62-V88 VanDerWaalsContact CE1-CG1 3.47Å; Y62-V88 HydrophobicContact CE1-CG2 3.93Å; Y62-V88 HydrophobicContact CE2-CG2 4.04Å; Y62-V88 WeakPolarHBondContact OH-CG2 3.49Å; Y62-L108 HydrophobicContact CE2-CB 4.26Å; Y62-L108 HydrophobicContact CE2-CD2 3.91Å |
| 63 | C | 95.3 | Very high | 86.2 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 45% | 0.446 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -16 | -173.9 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | C60 D65 H76 H81 | C60-C63 VanDerWaalsContact CB-SG 3.55Å; C60-C63 PolarHBondContact SG-SG 3.23Å; C63-D65 VanDerWaalsContact C-N 3.34Å; C63-D65 VanDerWaalsContact SG-CB 3.55Å; C63-D65 PolarHBondContact SG-N 2.81Å; C63-D65 VanDerWaalsContact SG-N 3.41Å; C63-H76 PolarHBondContact SG-NE2 3.47Å; C63-H81 WeakPolarHBondContact CB-NE2 3.33Å; C63-H81 PolarHBondContact SG-NE2 3.32Å |
| 64 | G | 94.8 | Very high | 88.1 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | trans | 82.1 | 5.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C60 | C60-G64 VanDerWaalsContact O-CA 3.3Å; C60-G64 WeakPolarHBondContact O-CA 3.37Å; C60-G64 PolarHBondContact O-N 3.13Å | ||
| 65 | D | 95.6 | Very high | 89.6 | Confident | 83 Ų | 83 | 40 Ų | 40 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | trans | -60.8 | 138 | 172.6 | -166.2 | 24 | 0 | 0 | 0 | 110.5 | T59 C60 C63 H68 H76 | T59-D65 CarbonylContact C-O 3.19Å; T59-D65 VanDerWaalsContact CA-O 3.31Å; T59-D65 WeakPolarHBondContact CA-O 3.29Å; C60-D65 HydrophobicContact CB-CB 4.42Å; C60-D65 PolarHBondContact N-O 3.13Å; C63-D65 VanDerWaalsContact C-N 3.34Å; C63-D65 VanDerWaalsContact SG-CB 3.55Å; C63-D65 PolarHBondContact SG-N 2.81Å; C63-D65 VanDerWaalsContact SG-N 3.41Å; D65-H68 PolarHBondContact O-CD2 3.38Å; D65-H68 PolarHBondContact O-NE2 3.44Å; D65-H68 IonicContact OD2-CE1 3.36Å; D65-H68 PolarHBondContact OD2-CE1 2.94Å; D65-H68 VanDerWaalsContact OD2-CE1 3.29Å; D65-H68 IonicContact OD2-NE2 3.85Å; D65-H68 PolarHBondContact OD2-NE2 3.15Å; D65-H76 IonicContact OD2-CE1 2.71Å; D65-H76 IonicContact OD2-ND1 2.84Å | ||
| 66 | M | 93 | Very high | 91 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | trans | -116.2 | 168 | -171.2 | -64.9 | -173.7 | -70.1 | 0 | 0 | 110.5 | T59 W199 | T59-M66 HydrophobicContact CG2-CG 3.95Å; M66-W199 HydrophobicContact SD-CH2 4.19Å; M66-W199 HydrophobicContact SD-CZ3 4.32Å | ||
| 67 | G | 90.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | trans | 91 | 8.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S57 F58 | S57-G67 WeakPolarHBondContact OG-CA 2.83Å; S57-G67 PolarHBondContact OG-N 2.96Å; F58-G67 PolarHBondContact O-N 2.85Å | ||
| 68 | H | 90.4 | Very high | 92 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 132.6 | 179.9 | -54.9 | -68.3 | 0 | 0 | 0 | 111.4 | F58 D65 T72 L73 H76 | F58-H68 WeakPolarHBondContact CB-O 3.43Å; F58-H68 VanDerWaalsContact CD2-O 3.3Å; F58-H68 WeakPolarHBondContact CD2-O 3.46Å; F58-H68 PolarHBondContact N-O 3.31Å; F58-H68 PolarHBondContact O-CD2 2.92Å; F58-H68 PolarHBondContact O-N 3.44Å; F58-H68 VanDerWaalsContact O-N 3.14Å; D65-H68 PolarHBondContact O-CD2 3.38Å; D65-H68 PolarHBondContact O-NE2 3.44Å; D65-H68 IonicContact OD2-CE1 3.36Å; D65-H68 PolarHBondContact OD2-CE1 2.94Å; D65-H68 VanDerWaalsContact OD2-CE1 3.29Å; D65-H68 IonicContact OD2-NE2 3.85Å; D65-H68 PolarHBondContact OD2-NE2 3.15Å; H68-T72 WeakPolarHBondContact CA-OG1 3.21Å; H68-L73 HydrophobicContact CB-CB 3.71Å; H68-L73 HydrophobicContact CB-CD1 4.23Å; H68-H76 AromaticContact CE1-CG 3.66Å; H68-H76 AromaticContact CE1-ND1 3.63Å; H68-H76 AromaticContact NE2-CG 3.94Å |
| 69 | T | 88.4 | Confident | 91.9 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 39% | 0.387 | 24% | 0.239 | S | C | . | . | trans | -71.1 | 168.4 | 155.7 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | S71 T72 L73 | T69-S71 VanDerWaalsContact C-N 3.27Å; T69-S71 PolarHBondContact O-N 3.27Å; T69-T72 WeakPolarHBondContact CA-OG1 3.36Å; T69-T72 PolarHBondContact N-OG1 3.2Å; T69-T72 PolarHBondContact O-N 3.41Å; T69-T72 PolarHBondContact O-OG1 2.91Å; T69-T72 VanDerWaalsContact O-OG1 3.11Å; T69-T72 WeakPolarHBondContact OG1-CG2 3.45Å; T69-T72 PolarHBondContact OG1-N 2.98Å; T69-T72 PolarHBondContact OG1-OG1 2.89Å; T69-L73 VanDerWaalsContact O-CB 3.27Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 PolarHBondContact O-N 3.34Å | ||
| 70 | E | 85.8 | Confident | 91.8 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.2 | -45.6 | 174.7 | -172.1 | -170.8 | 140.4 | 0 | 0 | 112.6 | F58 C74 I92 I112 H116 | F58-E70 HydrophobicContact CE2-CB 4.29Å; E70-C74 PolarHBondContact O-N 3.27Å; E70-I92 HydrophobicContact CB-CD1 4.42Å; E70-I92 HydrophobicContact CG-CD1 3.73Å; E70-I92 HydrophobicContact CG-CG1 4.45Å; E70-I112 HydrophobicContact CG-CG2 4.09Å; E70-H116 HydrophobicContact CG-CB 4.3Å; E70-H116 WeakPolarHBondContact OE1-CB 3.28Å |
| 71 | S | 83.1 | Confident | 91.7 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.4 | -50.7 | 179.9 | -52 | 0 | 0 | 0 | 0 | 111.8 | T69 L73 C74 D75 | T69-S71 VanDerWaalsContact C-N 3.27Å; T69-S71 PolarHBondContact O-N 3.27Å; S71-L73 PolarHBondContact O-N 3.21Å; S71-C74 WeakPolarHBondContact O-CB 3.24Å; S71-C74 PolarHBondContact O-N 2.88Å; S71-C74 VanDerWaalsContact O-N 3.14Å; S71-D75 PolarHBondContact O-N 2.86Å; S71-D75 VanDerWaalsContact O-N 3.12Å |
| 72 | T | 90.4 | Very high | 90.7 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.4 | -25.9 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | H68 T69 H76 | H68-T72 WeakPolarHBondContact CA-OG1 3.21Å; T69-T72 WeakPolarHBondContact CA-OG1 3.36Å; T69-T72 PolarHBondContact N-OG1 3.2Å; T69-T72 PolarHBondContact O-N 3.41Å; T69-T72 PolarHBondContact O-OG1 2.91Å; T69-T72 VanDerWaalsContact O-OG1 3.11Å; T69-T72 WeakPolarHBondContact OG1-CG2 3.45Å; T69-T72 PolarHBondContact OG1-N 2.98Å; T69-T72 PolarHBondContact OG1-OG1 2.89Å; T72-H76 WeakPolarHBondContact O-CB 3.3Å; T72-H76 PolarHBondContact O-N 3.09Å |
| 73 | L | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 174 | 178.8 | 62.8 | 0 | 0 | 0 | 110.3 | F58 C60 H68 T69 S71 D75 H76 V77 P91 I92 I112 | F58-L73 HydrophobicContact CB-CD2 4.06Å; C60-L73 HydrophobicContact CB-CD1 4.1Å; H68-L73 HydrophobicContact CB-CB 3.71Å; H68-L73 HydrophobicContact CB-CD1 4.23Å; T69-L73 VanDerWaalsContact O-CB 3.27Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 PolarHBondContact O-N 3.34Å; S71-L73 PolarHBondContact O-N 3.21Å; L73-D75 VanDerWaalsContact C-N 3.35Å; L73-D75 PolarHBondContact O-N 2.95Å; L73-H76 PolarHBondContact O-N 3.32Å; L73-V77 HydrophobicContact CD1-CG2 4.08Å; L73-V77 HydrophobicContact CG-CG2 4.41Å; L73-V77 WeakPolarHBondContact O-CG2 3.22Å; L73-V77 PolarHBondContact O-N 3.36Å; L73-P91 HydrophobicContact CD2-CG 3.45Å; L73-P91 VanDerWaalsContact CD2-CG 3.45Å; L73-I92 HydrophobicContact CD2-CD1 4.41Å; L73-I112 HydrophobicContact CD2-CD1 3.91Å; L73-I112 HydrophobicContact CG-CD1 4.19Å |
| 74 | C | 90.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | E70 S71 H76 V77 L78 I112 | E70-C74 PolarHBondContact O-N 3.27Å; S71-C74 WeakPolarHBondContact O-CB 3.24Å; S71-C74 PolarHBondContact O-N 2.88Å; S71-C74 VanDerWaalsContact O-N 3.14Å; C74-H76 PolarHBondContact O-N 3.22Å; C74-V77 PolarHBondContact O-N 3.49Å; C74-L78 WeakPolarHBondContact O-CB 3.37Å; C74-L78 WeakPolarHBondContact O-CG 3.36Å; C74-L78 PolarHBondContact O-N 3.38Å; C74-I112 HydrophobicContact CB-CG2 4.3Å |
| 75 | D | 90.6 | Very high | 87.9 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 178.1 | -65.1 | -29.5 | 0 | 0 | 0 | 112.4 | S71 L73 L78 Q79 | S71-D75 PolarHBondContact O-N 2.86Å; S71-D75 VanDerWaalsContact O-N 3.12Å; L73-D75 VanDerWaalsContact C-N 3.35Å; L73-D75 PolarHBondContact O-N 2.95Å; D75-L78 PolarHBondContact O-N 3.46Å; D75-Q79 WeakPolarHBondContact O-CB 3.49Å; D75-Q79 VanDerWaalsContact O-CG 3.24Å; D75-Q79 WeakPolarHBondContact O-CG 3.4Å; D75-Q79 PolarHBondContact O-N 3.29Å |
| 76 | H | 93.9 | Very high | 87.5 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 177 | 170.5 | 91.2 | 0 | 0 | 0 | 111.4 | C60 C63 D65 H68 T72 L73 C74 L78 Q79 E80 H81 | C60-H76 PolarHBondContact SG-CD2 2.93Å; C60-H76 PolarHBondContact SG-NE2 3.38Å; C63-H76 PolarHBondContact SG-NE2 3.47Å; D65-H76 IonicContact OD2-CE1 2.71Å; D65-H76 IonicContact OD2-ND1 2.84Å; H68-H76 AromaticContact CE1-CG 3.66Å; H68-H76 AromaticContact CE1-ND1 3.63Å; H68-H76 AromaticContact NE2-CG 3.94Å; T72-H76 WeakPolarHBondContact O-CB 3.3Å; T72-H76 PolarHBondContact O-N 3.09Å; L73-H76 PolarHBondContact O-N 3.32Å; C74-H76 PolarHBondContact O-N 3.22Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.22Å; H76-Q79 PolarHBondContact O-N 3.28Å; H76-E80 WeakPolarHBondContact O-CB 3.27Å; H76-E80 PolarHBondContact O-N 3.14Å; H76-H81 AromaticContact NE2-CD2 3.68Å; H76-H81 AromaticContact NE2-NE2 3.38Å; H76-H81 PolarHBondContact NE2-NE2 3.43Å |
| 77 | V | 92.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 180 | 176 | 0 | 0 | 0 | 0 | 110.8 | Y62 L73 C74 Q79 H81 G82 L108 V109 | Y62-V77 HydrophobicContact CD2-CG1 4.15Å; Y62-V77 HydrophobicContact CD2-CG2 4.24Å; Y62-V77 HydrophobicContact CE2-CG1 3.69Å; Y62-V77 HydrophobicContact CE2-CG2 4.31Å; L73-V77 HydrophobicContact CD1-CG2 4.08Å; L73-V77 HydrophobicContact CG-CG2 4.41Å; L73-V77 WeakPolarHBondContact O-CG2 3.22Å; L73-V77 PolarHBondContact O-N 3.36Å; C74-V77 PolarHBondContact O-N 3.49Å; V77-Q79 PolarHBondContact O-N 3.32Å; V77-H81 HydrophobicContact CG1-CB 4.21Å; V77-H81 CarbonylContact O-C 3.53Å; V77-H81 WeakPolarHBondContact O-CA 3.39Å; V77-H81 WeakPolarHBondContact O-CB 3.17Å; V77-H81 PolarHBondContact O-N 2.62Å; V77-G82 PolarHBondContact O-N 3.01Å; V77-G82 VanDerWaalsContact O-N 3.13Å; V77-L108 HydrophobicContact CG2-CD2 4.05Å; V77-V109 HydrophobicContact CB-CG2 4.02Å; V77-V109 HydrophobicContact CG1-CG2 3.51Å |
| 78 | L | 90.2 | Very high | 87.7 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 175.3 | -84.2 | 171.4 | 0 | 0 | 0 | 113.1 | C74 D75 H76 V109 | C74-L78 WeakPolarHBondContact O-CB 3.37Å; C74-L78 WeakPolarHBondContact O-CG 3.36Å; C74-L78 PolarHBondContact O-N 3.38Å; D75-L78 PolarHBondContact O-N 3.46Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.22Å; L78-V109 HydrophobicContact CD1-CG1 3.92Å; L78-V109 HydrophobicContact CD2-CB 4.39Å; L78-V109 HydrophobicContact CD2-CG1 3.69Å; L78-V109 HydrophobicContact CD2-CG2 4.04Å; L78-V109 HydrophobicContact CG-CB 4.42Å; L78-V109 HydrophobicContact CG-CG1 3.67Å; L78-V109 HydrophobicContact CG-CG2 3.86Å |
| 79 | Q | 91.5 | Very high | 87.9 | Confident | 148 Ų | 148 | 54.5 Ų | 54.5 | 69% | 0.692 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -80.7 | -43.5 | -175.5 | -70.8 | 173.6 | 33.5 | 0 | 0 | 112.7 | D75 H76 V77 | D75-Q79 WeakPolarHBondContact O-CB 3.49Å; D75-Q79 VanDerWaalsContact O-CG 3.24Å; D75-Q79 WeakPolarHBondContact O-CG 3.4Å; D75-Q79 PolarHBondContact O-N 3.29Å; H76-Q79 PolarHBondContact O-N 3.28Å; V77-Q79 PolarHBondContact O-N 3.32Å |
| 80 | E | 93.3 | Very high | 88.1 | Confident | 129 Ų | 129 | 51.5 Ų | 51.5 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -99.5 | -20.7 | -171.5 | -59.3 | -60.1 | 140.2 | 0 | 0 | 113 | H76 | H76-E80 WeakPolarHBondContact O-CB 3.27Å; H76-E80 PolarHBondContact O-N 3.14Å |
| 81 | H | 93 | Very high | 88.4 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | trans | -138.2 | 21.5 | -167.5 | -55.3 | -42.8 | 0 | 0 | 0 | 114.5 | C60 Y62 C63 H76 V77 D83 A84 | C60-H81 VanDerWaalsContact SG-CD2 3.6Å; Y62-H81 HydrophobicContact CD2-CB 4.03Å; Y62-H81 AromaticContact CD2-CD2 3.85Å; Y62-H81 HydrophobicContact CG-CB 4.27Å; C63-H81 WeakPolarHBondContact CB-NE2 3.33Å; C63-H81 PolarHBondContact SG-NE2 3.32Å; H76-H81 AromaticContact NE2-CD2 3.68Å; H76-H81 AromaticContact NE2-NE2 3.38Å; H76-H81 PolarHBondContact NE2-NE2 3.43Å; V77-H81 HydrophobicContact CG1-CB 4.21Å; V77-H81 CarbonylContact O-C 3.53Å; V77-H81 WeakPolarHBondContact O-CA 3.39Å; V77-H81 WeakPolarHBondContact O-CB 3.17Å; V77-H81 PolarHBondContact O-N 2.62Å; H81-D83 PolarHBondContact O-N 3.29Å; H81-A84 HydrophobicContact CB-CB 4.11Å; H81-A84 WeakPolarHBondContact O-CB 3.32Å; H81-A84 PolarHBondContact O-N 3.27Å | ||
| 82 | G | 75.8 | Confident | 88.7 | Confident | 65 Ų | 65 | 48 Ų | 48 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -8.7 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | V77 | V77-G82 PolarHBondContact O-N 3.01Å; V77-G82 VanDerWaalsContact O-N 3.13Å |
| 83 | D | 73.6 | Confident | 88.7 | Confident | 161 Ų | 161 | 45.9 Ų | 45.9 | 86% | 0.861 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 23.2 | 176.4 | -161.9 | 20.9 | 0 | 0 | 0 | 112.5 | H81 G85 | H81-D83 PolarHBondContact O-N 3.29Å; D83-G85 PolarHBondContact O-N 3.24Å |
| 84 | A | 76.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | trans | -74.1 | 97.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y62 H81 C86 | Y62-A84 HydrophobicContact CD1-CB 3.66Å; Y62-A84 HydrophobicContact CE1-CB 3.44Å; Y62-A84 VanDerWaalsContact CE1-CB 3.44Å; Y62-A84 HydrophobicContact CG-CB 4.29Å; H81-A84 HydrophobicContact CB-CB 4.11Å; H81-A84 WeakPolarHBondContact O-CB 3.32Å; H81-A84 PolarHBondContact O-N 3.27Å; A84-C86 PolarHBondContact O-N 2.92Å | ||
| 85 | G | 75.9 | Confident | 88.4 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | trans | -78.7 | 14.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | D83 | D83-G85 PolarHBondContact O-N 3.24Š| ||
| 86 | C | 87.2 | Confident | 87.8 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -99.5 | 133.9 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | A84 V88 | A84-C86 PolarHBondContact O-N 2.92Å; C86-V88 PolarHBondContact O-N 2.82Å |
| 87 | A | 93 | Very high | 86.6 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | trans | -64.9 | 130.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T105 E106 | A87-T105 WeakPolarHBondContact CA-O 3.37Å; A87-E106 HydrophobicContact CB-CG 3.97Å | ||
| 88 | V | 94.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 156.3 | -179.9 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | P61 Y62 C86 M104 T105 L108 | P61-V88 HydrophobicContact CB-CB 3.72Å; P61-V88 HydrophobicContact CB-CG1 3.93Å; P61-V88 HydrophobicContact CB-CG2 4.17Å; P61-V88 HydrophobicContact CG-CB 3.87Å; P61-V88 HydrophobicContact CG-CG1 4.22Å; P61-V88 HydrophobicContact CG-CG2 3.73Å; Y62-V88 HydrophobicContact CD1-CG1 3.79Å; Y62-V88 HydrophobicContact CE1-CB 4.35Å; Y62-V88 HydrophobicContact CE1-CG1 3.47Å; Y62-V88 VanDerWaalsContact CE1-CG1 3.47Å; Y62-V88 HydrophobicContact CE1-CG2 3.93Å; Y62-V88 HydrophobicContact CE2-CG2 4.04Å; Y62-V88 WeakPolarHBondContact OH-CG2 3.49Å; C86-V88 PolarHBondContact O-N 2.82Å; V88-M104 CarbonylContact O-C 3.47Å; V88-M104 WeakPolarHBondContact O-CA 3.31Å; V88-T105 PolarHBondContact N-O 3.27Å; V88-T105 PolarHBondContact O-N 3.37Å; V88-L108 HydrophobicContact CG2-CB 4.16Å; V88-L108 HydrophobicContact CG2-CD2 4.16Å |
| 89 | M | 94.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.6 | 171.1 | -168.6 | 173.4 | -67.2 | 0 | 0 | 110.5 | K2 L4 P91 A94 T101 N102 L103 | K2-M89 HydrophobicContact CD-CE 4.42Å; K2-M89 HydrophobicContact CD-SD 3.51Å; K2-M89 VanDerWaalsContact CD-SD 3.51Å; K2-M89 WeakPolarHBondContact CE-SD 3.39Å; K2-M89 HydrophobicContact CG-SD 3.74Å; L4-M89 HydrophobicContact CD2-CB 4.12Å; L4-M89 HydrophobicContact CD2-CG 4.43Å; L4-M89 PolarHBondContact O-N 3.39Å; M89-P91 VanDerWaalsContact O-CD 3.31Å; M89-P91 WeakPolarHBondContact O-CD 3.47Å; M89-A94 HydrophobicContact CG-CB 4.42Å; M89-A94 HydrophobicContact SD-CB 4.07Å; M89-T101 VanDerWaalsContact SD-O 3.41Å; M89-N102 HydrophobicContact CE-CB 4.43Å; M89-L103 WeakPolarHBondContact CA-O 3.36Å |
| 90 | C | 93 | Very high | 83.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -72.7 | 117.8 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | I92 C93 A94 L103 L108 H111 H116 | C90-I92 PolarHBondContact O-N 3.11Å; C90-C93 HydrophobicContact CB-CB 3.99Å; C90-C93 PolarHBondContact O-N 3.44Å; C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 3.41Å; C90-L103 PolarHBondContact N-O 3.5Å; C90-L108 HydrophobicContact CB-CD1 3.85Å; C90-H111 VanDerWaalsContact SG-CD2 3.51Å; C90-H111 PolarHBondContact SG-NE2 3.29Å; C90-H116 PolarHBondContact SG-NE2 2.89Å; C90-H116 VanDerWaalsContact SG-NE2 3.42Å | ||
| 91 | P | 92.8 | Very high | 83 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -23.6 | -179.1 | 26.9 | -35.3 | 0 | 0 | 0 | 112.7 | L4 Q32 F58 L73 M89 S95 | L4-P91 HydrophobicContact CD1-CB 4.23Å; L4-P91 HydrophobicContact CD2-CB 4.03Å; Q32-P91 HydrophobicContact CG-CB 4.33Å; F58-P91 HydrophobicContact CB-CB 4.12Å; F58-P91 HydrophobicContact CB-CG 4.08Å; F58-P91 HydrophobicContact CD1-CB 4.1Å; F58-P91 HydrophobicContact CG-CB 4.47Å; L73-P91 HydrophobicContact CD2-CG 3.45Å; L73-P91 VanDerWaalsContact CD2-CG 3.45Å; M89-P91 VanDerWaalsContact O-CD 3.31Å; M89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-S95 WeakPolarHBondContact O-CB 3.43Å; P91-S95 PolarHBondContact O-N 2.76Å; P91-S95 VanDerWaalsContact O-N 3.14Å; P91-S95 PolarHBondContact O-OG 3.43Å |
| 92 | I | 89.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.6 | -47.8 | 176.3 | -57.6 | 145.3 | 0 | 0 | 0 | 110.3 | F58 E70 L73 C90 S95 I96 I112 H116 | F58-I92 HydrophobicContact CD1-CG1 4.14Å; F58-I92 HydrophobicContact CD2-CG1 3.99Å; F58-I92 HydrophobicContact CE1-CB 4.23Å; F58-I92 HydrophobicContact CE1-CG1 3.87Å; F58-I92 HydrophobicContact CE2-CG1 3.71Å; F58-I92 HydrophobicContact CG-CG1 4.2Å; F58-I92 HydrophobicContact CZ-CB 4.2Å; F58-I92 HydrophobicContact CZ-CG1 3.63Å; F58-I92 HydrophobicContact CZ-CG2 4.2Å; E70-I92 HydrophobicContact CB-CD1 4.42Å; E70-I92 HydrophobicContact CG-CD1 3.73Å; E70-I92 HydrophobicContact CG-CG1 4.45Å; L73-I92 HydrophobicContact CD2-CD1 4.41Å; C90-I92 PolarHBondContact O-N 3.11Å; I92-S95 PolarHBondContact O-N 2.78Å; I92-I96 HydrophobicContact CG2-CD1 3.88Å; I92-I96 WeakPolarHBondContact O-CD1 3.3Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.14Å; I92-I112 HydrophobicContact CD1-CD1 3.92Å; I92-I112 HydrophobicContact CD1-CG1 3.76Å; I92-I112 HydrophobicContact CD1-CG2 4.13Å; I92-H116 HydrophobicContact CD1-CB 4.44Å; I92-H116 HydrophobicContact CG2-CB 4.4Å; I92-H116 WeakPolarHBondContact CG2-ND1 3.32Å |
| 93 | C | 90.2 | Very high | 83.1 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 172.9 | -73 | 0 | 0 | 0 | 0 | 111.6 | C90 S95 I96 L103 H111 H116 | C90-C93 HydrophobicContact CB-CB 3.99Å; C90-C93 PolarHBondContact O-N 3.44Å; C93-S95 PolarHBondContact O-N 3.48Å; C93-I96 PolarHBondContact O-N 2.74Å; C93-L103 HydrophobicContact CB-CB 4.48Å; C93-H111 PolarHBondContact SG-NE2 3.2Å; C93-H116 PolarHBondContact SG-CE1 3.01Å; C93-H116 PolarHBondContact SG-NE2 3.45Å |
| 94 | A | 89.8 | Confident | 84 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.6 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2 I34 M89 C90 | K2-A94 HydrophobicContact CD-CB 3.92Å; I34-A94 HydrophobicContact CD1-CB 4.06Å; I34-A94 WeakPolarHBondContact CD1-O 3.37Å; M89-A94 HydrophobicContact CG-CB 4.42Å; M89-A94 HydrophobicContact SD-CB 4.07Å; C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 3.41Å |
| 95 | S | 84.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.1 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | P91 I92 C93 | P91-S95 WeakPolarHBondContact O-CB 3.43Å; P91-S95 PolarHBondContact O-N 2.76Å; P91-S95 VanDerWaalsContact O-N 3.14Å; P91-S95 PolarHBondContact O-OG 3.43Å; I92-S95 PolarHBondContact O-N 2.78Å; C93-S95 PolarHBondContact O-N 3.48Å |
| 96 | I | 77.6 | Confident | 85.4 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | trans | -103.1 | 122.2 | 179.8 | -65.2 | 163.7 | 0 | 0 | 0 | 108.8 | R56 I92 C93 S98 | R56-I96 VanDerWaalsContact NH1-CG1 3.27Å; I92-I96 HydrophobicContact CG2-CD1 3.88Å; I92-I96 WeakPolarHBondContact O-CD1 3.3Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.14Å; C93-I96 PolarHBondContact O-N 2.74Å; I96-S98 PolarHBondContact O-N 3.41Å | ||
| 97 | Q | 68.1 | Low | 85.5 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.2 | 178.7 | -61.9 | 176.2 | 27.7 | 0 | 0 | 113.4 | ||
| 98 | S | 65 | Low | 85.4 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 81% | 0.811 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 20.8 | -172 | -167.5 | 0 | 0 | 0 | 0 | 114.8 | I96 | I96-S98 PolarHBondContact O-N 3.41Š|
| 99 | G | 68 | Low | 85.2 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -143 | -171.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T101 | G99-T101 PolarHBondContact O-N 2.89Å; G99-T101 VanDerWaalsContact O-N 3.09Å |
| 100 | D | 77.5 | Confident | 84.9 | Confident | 104 Ų | 104 | 50.2 Ų | 50.2 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | trans | -72.4 | 99.5 | 167.7 | -172.1 | -6.7 | 0 | 0 | 0 | 109.1 | N102 L103 | D100-N102 PolarHBondContact O-N 3.49Å; D100-N102 PolarHBondContact OD1-N 3.23Å; D100-L103 HydrophobicContact CB-CB 4.36Å; D100-L103 WeakPolarHBondContact O-CB 3.49Å; D100-L103 PolarHBondContact O-N 3.42Å | ||
| 101 | T | 81.9 | Confident | 84.8 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | K2 M89 G99 | K2-T101 VanDerWaalsContact CE-O 3.29Å; K2-T101 WeakPolarHBondContact CE-O 3.21Å; M89-T101 VanDerWaalsContact SD-O 3.41Å; G99-T101 PolarHBondContact O-N 2.89Å; G99-T101 VanDerWaalsContact O-N 3.09Å |
| 102 | N | 84.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 14.6 | -177.4 | -74.7 | -40.1 | 0 | 0 | 0 | 112.5 | K2 F7 D8 M89 D100 M104 | K2-N102 WeakPolarHBondContact CE-OD1 3.35Å; K2-N102 PolarHBondContact NZ-OD1 3.33Å; F7-N102 HydrophobicContact CD2-CB 4.36Å; F7-N102 HydrophobicContact CE2-CB 3.87Å; F7-N102 HydrophobicContact CZ-CB 4.27Å; D8-N102 PolarHBondContact OD1-ND2 3.23Å; M89-N102 HydrophobicContact CE-CB 4.43Å; D100-N102 PolarHBondContact O-N 3.49Å; D100-N102 PolarHBondContact OD1-N 3.23Å; N102-M104 PolarHBondContact O-N 2.84Å; N102-M104 VanDerWaalsContact O-N 3.14Å |
| 103 | L | 87.2 | Confident | 84.3 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.293 | 31% | 0.312 | S | S | . | . | trans | -60 | 116.9 | -179.6 | -179 | 66.2 | 0 | 0 | 0 | 111.6 | M89 C90 C93 D100 H111 | M89-L103 WeakPolarHBondContact CA-O 3.36Å; C90-L103 PolarHBondContact N-O 3.5Å; C93-L103 HydrophobicContact CB-CB 4.48Å; D100-L103 HydrophobicContact CB-CB 4.36Å; D100-L103 WeakPolarHBondContact O-CB 3.49Å; D100-L103 PolarHBondContact O-N 3.42Å; L103-H111 WeakPolarHBondContact CD2-CE1 3.45Å | ||
| 104 | M | 91.2 | Very high | 84.1 | Confident | 66 Ų | 66 | 56 Ų | 56 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.6 | 169.8 | -58 | -171.1 | 86.1 | 0 | 0 | 109.8 | K5 F7 V88 N102 | K5-M104 VanDerWaalsContact O-CE 3.3Å; K5-M104 WeakPolarHBondContact O-CE 3.46Å; F7-M104 HydrophobicContact CB-SD 4Å; F7-M104 HydrophobicContact CD2-CG 4.39Å; F7-M104 HydrophobicContact CD2-SD 4.09Å; V88-M104 CarbonylContact O-C 3.47Å; V88-M104 WeakPolarHBondContact O-CA 3.31Å; N102-M104 PolarHBondContact O-N 2.84Å; N102-M104 VanDerWaalsContact O-N 3.14Å |
| 105 | T | 91.7 | Very high | 83.9 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.3 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | A87 V88 D107 L108 H111 | A87-T105 WeakPolarHBondContact CA-O 3.37Å; V88-T105 PolarHBondContact N-O 3.27Å; V88-T105 PolarHBondContact O-N 3.37Å; T105-D107 PolarHBondContact OG1-N 3.32Å; T105-D107 PolarHBondContact OG1-O 2.99Å; T105-L108 HydrophobicContact CG2-CB 4.09Å; T105-L108 HydrophobicContact CG2-CD1 3.84Å; T105-H111 HydrophobicContact CG2-CB 4.1Å |
| 106 | E | 91.2 | Very high | 83.8 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 72% | 0.715 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.8 | -23.8 | 171.8 | -67.4 | 179.1 | 174.9 | 0 | 0 | 111.8 | A87 | A87-E106 HydrophobicContact CB-CG 3.97Š|
| 107 | D | 90 | Very high | 83.2 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -124.1 | 89.9 | 176.6 | -171.2 | -19 | 0 | 0 | 0 | 109 | T105 V109 A110 H111 | T105-D107 PolarHBondContact OG1-N 3.32Å; T105-D107 PolarHBondContact OG1-O 2.99Å; D107-V109 VanDerWaalsContact C-N 3.31Å; D107-V109 PolarHBondContact OD1-N 3.14Å; D107-A110 HydrophobicContact CB-CB 4.09Å; D107-A110 WeakPolarHBondContact OD1-CB 3.49Å; D107-A110 PolarHBondContact OD1-N 3.19Å; D107-A110 VanDerWaalsContact OD2-CB 3.3Å; D107-A110 WeakPolarHBondContact OD2-CB 3.37Å; D107-H111 VanDerWaalsContact O-CB 3.3Å; D107-H111 WeakPolarHBondContact O-CB 3.48Å; D107-H111 PolarHBondContact O-N 3.34Å; D107-H111 VanDerWaalsContact O-N 3.09Å | ||
| 108 | L | 90.8 | Very high | 82.7 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | -178.8 | -178.4 | 62 | 0 | 0 | 0 | 111.9 | P61 Y62 V77 V88 C90 T105 H111 I112 | P61-L108 HydrophobicContact CG-CD2 3.45Å; P61-L108 VanDerWaalsContact CG-CD2 3.45Å; Y62-L108 HydrophobicContact CE2-CB 4.26Å; Y62-L108 HydrophobicContact CE2-CD2 3.91Å; V77-L108 HydrophobicContact CG2-CD2 4.05Å; V88-L108 HydrophobicContact CG2-CB 4.16Å; V88-L108 HydrophobicContact CG2-CD2 4.16Å; C90-L108 HydrophobicContact CB-CD1 3.85Å; T105-L108 HydrophobicContact CG2-CB 4.09Å; T105-L108 HydrophobicContact CG2-CD1 3.84Å; L108-H111 PolarHBondContact O-N 3.04Å; L108-I112 HydrophobicContact CD1-CD1 3.93Å; L108-I112 HydrophobicContact CD1-CG1 4.05Å; L108-I112 HydrophobicContact CD2-CD1 4.41Å; L108-I112 HydrophobicContact CG-CD1 3.8Å; L108-I112 HydrophobicContact CG-CG1 4.3Å; L108-I112 VanDerWaalsContact O-CG1 3.24Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 3.25Å |
| 109 | V | 90.2 | Very high | 81.9 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -49.3 | -178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | V77 L78 D107 H111 I112 G113 | V77-V109 HydrophobicContact CB-CG2 4.02Å; V77-V109 HydrophobicContact CG1-CG2 3.51Å; L78-V109 HydrophobicContact CD1-CG1 3.92Å; L78-V109 HydrophobicContact CD2-CB 4.39Å; L78-V109 HydrophobicContact CD2-CG1 3.69Å; L78-V109 HydrophobicContact CD2-CG2 4.04Å; L78-V109 HydrophobicContact CG-CB 4.42Å; L78-V109 HydrophobicContact CG-CG1 3.67Å; L78-V109 HydrophobicContact CG-CG2 3.86Å; D107-V109 VanDerWaalsContact C-N 3.31Å; D107-V109 PolarHBondContact OD1-N 3.14Å; V109-H111 VanDerWaalsContact C-N 3.3Å; V109-H111 PolarHBondContact O-N 3.1Å; V109-I112 PolarHBondContact O-N 3.49Å; V109-G113 PolarHBondContact O-N 3.07Å |
| 110 | A | 88.4 | Confident | 80.7 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D107 G113 T114 | D107-A110 HydrophobicContact CB-CB 4.09Å; D107-A110 WeakPolarHBondContact OD1-CB 3.49Å; D107-A110 PolarHBondContact OD1-N 3.19Å; D107-A110 VanDerWaalsContact OD2-CB 3.3Å; D107-A110 WeakPolarHBondContact OD2-CB 3.37Å; A110-G113 CarbonylContact O-C 3.2Å; A110-G113 WeakPolarHBondContact O-CA 3.14Å; A110-G113 PolarHBondContact O-N 2.93Å; A110-G113 VanDerWaalsContact O-N 3.15Å; A110-T114 WeakPolarHBondContact O-CG2 3.32Å; A110-T114 PolarHBondContact O-N 3.35Å; A110-T114 PolarHBondContact O-OG1 2.97Å |
| 111 | H | 90.3 | Very high | 79.3 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 178 | 172.9 | 68.8 | 0 | 0 | 0 | 112.8 | C90 C93 L103 T105 D107 L108 V109 G113 T114 E115 H116 | C90-H111 VanDerWaalsContact SG-CD2 3.51Å; C90-H111 PolarHBondContact SG-NE2 3.29Å; C93-H111 PolarHBondContact SG-NE2 3.2Å; L103-H111 WeakPolarHBondContact CD2-CE1 3.45Å; T105-H111 HydrophobicContact CG2-CB 4.1Å; D107-H111 VanDerWaalsContact O-CB 3.3Å; D107-H111 WeakPolarHBondContact O-CB 3.48Å; D107-H111 PolarHBondContact O-N 3.34Å; D107-H111 VanDerWaalsContact O-N 3.09Å; L108-H111 PolarHBondContact O-N 3.04Å; V109-H111 VanDerWaalsContact C-N 3.3Å; V109-H111 PolarHBondContact O-N 3.1Å; H111-G113 VanDerWaalsContact C-N 3.28Å; H111-G113 PolarHBondContact O-N 2.85Å; H111-T114 PolarHBondContact O-N 3.09Å; H111-E115 VanDerWaalsContact CE1-CG 3.49Å; H111-E115 WeakPolarHBondContact CE1-CG 3.49Å; H111-E115 WeakPolarHBondContact ND1-CG 3.29Å; H111-E115 WeakPolarHBondContact O-CB 3.33Å; H111-E115 PolarHBondContact O-N 3.05Å; H111-H116 AromaticContact CD2-NE2 3.76Å; H111-H116 AromaticContact CE1-NE2 3.82Å; H111-H116 AromaticContact NE2-CD2 3.71Å; H111-H116 AromaticContact NE2-NE2 3.01Å; H111-H116 PolarHBondContact NE2-NE2 3.29Å |
| 112 | I | 88.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.1 | -64.3 | 171.4 | 0 | 0 | 0 | 110.5 | E70 L73 C74 I92 L108 V109 T114 H116 L119 | E70-I112 HydrophobicContact CG-CG2 4.09Å; L73-I112 HydrophobicContact CD2-CD1 3.91Å; L73-I112 HydrophobicContact CG-CD1 4.19Å; C74-I112 HydrophobicContact CB-CG2 4.3Å; I92-I112 HydrophobicContact CD1-CD1 3.92Å; I92-I112 HydrophobicContact CD1-CG1 3.76Å; I92-I112 HydrophobicContact CD1-CG2 4.13Å; L108-I112 HydrophobicContact CD1-CD1 3.93Å; L108-I112 HydrophobicContact CD1-CG1 4.05Å; L108-I112 HydrophobicContact CD2-CD1 4.41Å; L108-I112 HydrophobicContact CG-CD1 3.8Å; L108-I112 HydrophobicContact CG-CG1 4.3Å; L108-I112 VanDerWaalsContact O-CG1 3.24Å; L108-I112 WeakPolarHBondContact O-CG1 3.3Å; L108-I112 PolarHBondContact O-N 3.25Å; V109-I112 PolarHBondContact O-N 3.49Å; I112-T114 VanDerWaalsContact C-N 3.29Å; I112-T114 PolarHBondContact O-N 3.46Å; I112-H116 HydrophobicContact CG2-CB 4.43Å; I112-H116 PolarHBondContact O-N 3.15Å; I112-L119 VanDerWaalsContact O-CD1 3.29Å; I112-L119 WeakPolarHBondContact O-CD1 3.06Å |
| 113 | G | 83.9 | Confident | 76.3 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -22.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V109 A110 H111 T117 | V109-G113 PolarHBondContact O-N 3.07Å; A110-G113 CarbonylContact O-C 3.2Å; A110-G113 WeakPolarHBondContact O-CA 3.14Å; A110-G113 PolarHBondContact O-N 2.93Å; A110-G113 VanDerWaalsContact O-N 3.15Å; H111-G113 VanDerWaalsContact C-N 3.28Å; H111-G113 PolarHBondContact O-N 2.85Å; G113-T117 WeakPolarHBondContact O-CG2 3.29Å |
| 114 | T | 84.8 | Confident | 74.8 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -110.1 | -40.7 | 179.7 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | A110 H111 I112 | A110-T114 WeakPolarHBondContact O-CG2 3.32Å; A110-T114 PolarHBondContact O-N 3.35Å; A110-T114 PolarHBondContact O-OG1 2.97Å; H111-T114 PolarHBondContact O-N 3.09Å; I112-T114 VanDerWaalsContact C-N 3.29Å; I112-T114 PolarHBondContact O-N 3.46Å |
| 115 | E | 85.9 | Confident | 73 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -94.5 | -29.9 | -169.5 | -57.2 | -49.8 | 124.6 | 0 | 0 | 113.2 | H111 | H111-E115 VanDerWaalsContact CE1-CG 3.49Å; H111-E115 WeakPolarHBondContact CE1-CG 3.49Å; H111-E115 WeakPolarHBondContact ND1-CG 3.29Å; H111-E115 WeakPolarHBondContact O-CB 3.33Å; H111-E115 PolarHBondContact O-N 3.05Å |
| 116 | H | 83.7 | Confident | 71.1 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 11% | 0.106 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -99 | 2.3 | -174.7 | -63.2 | -53.6 | 0 | 0 | 0 | 113.4 | E70 C90 I92 C93 H111 I112 R118 | E70-H116 HydrophobicContact CG-CB 4.3Å; E70-H116 WeakPolarHBondContact OE1-CB 3.28Å; C90-H116 PolarHBondContact SG-NE2 2.89Å; C90-H116 VanDerWaalsContact SG-NE2 3.42Å; I92-H116 HydrophobicContact CD1-CB 4.44Å; I92-H116 HydrophobicContact CG2-CB 4.4Å; I92-H116 WeakPolarHBondContact CG2-ND1 3.32Å; C93-H116 PolarHBondContact SG-CE1 3.01Å; C93-H116 PolarHBondContact SG-NE2 3.45Å; H111-H116 AromaticContact CD2-NE2 3.76Å; H111-H116 AromaticContact CE1-NE2 3.82Å; H111-H116 AromaticContact NE2-CD2 3.71Å; H111-H116 AromaticContact NE2-NE2 3.01Å; H111-H116 PolarHBondContact NE2-NE2 3.29Å; I112-H116 HydrophobicContact CG2-CB 4.43Å; I112-H116 PolarHBondContact O-N 3.15Å; H116-R118 VanDerWaalsContact C-N 3.29Å; H116-R118 PolarHBondContact O-N 3.2Å |
| 117 | T | 64.7 | Low | 69.7 | Low | 77 Ų | 77 | 66.9 Ų | 66.9 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | trans | -53.4 | 78.9 | -171.4 | 62.1 | 0 | 0 | 0 | 0 | 115.5 | G113 L119 | G113-T117 WeakPolarHBondContact O-CG2 3.29Å; T117-L119 HydrophobicContact CG2-CB 3.82Å; T117-L119 HydrophobicContact CG2-CD1 3.47Å; T117-L119 VanDerWaalsContact CG2-CD1 3.47Å; T117-L119 HydrophobicContact CG2-CG 4.08Å | ||
| 118 | R | 56.9 | Low | 68.4 | Low | 150 Ų | 150 | 66.3 Ų | 66.3 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | trans | -76.4 | 4.2 | 135.9 | -67.7 | -176.8 | 71.2 | 179 | -4.4 | 110.7 | P52 H116 T120 | P52-R118 PolarHBondContact O-NH1 3.12Å; H116-R118 VanDerWaalsContact C-N 3.29Å; H116-R118 PolarHBondContact O-N 3.2Å; R118-T120 PolarHBondContact O-N 2.69Å | ||
| 119 | L | 49.4 | Very low | 66.7 | Low | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 30.9 | 175.1 | -63.9 | 171.1 | 0 | 0 | 0 | 116.1 | I112 T117 L121 C122 V123 | I112-L119 VanDerWaalsContact O-CD1 3.29Å; I112-L119 WeakPolarHBondContact O-CD1 3.06Å; T117-L119 HydrophobicContact CG2-CB 3.82Å; T117-L119 HydrophobicContact CG2-CD1 3.47Å; T117-L119 VanDerWaalsContact CG2-CD1 3.47Å; T117-L119 HydrophobicContact CG2-CG 4.08Å; L119-L121 PolarHBondContact O-N 3.26Å; L119-L121 VanDerWaalsContact O-N 3.13Å; L119-C122 HydrophobicContact CB-CB 3.93Å; L119-C122 HydrophobicContact CD2-CB 3.5Å; L119-C122 VanDerWaalsContact CD2-CB 3.5Å; L119-C122 HydrophobicContact CG-CB 4.2Å; L119-C122 PolarHBondContact O-N 2.81Å; L119-V123 PolarHBondContact O-N 2.89Å |
| 120 | T | 43.1 | Very low | 65.2 | Low | 112 Ų | 112 | 75.4 Ų | 75.4 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.3 | -22.4 | 155.6 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | R118 L124 | R118-T120 PolarHBondContact O-N 2.69Å; T120-L124 WeakPolarHBondContact O-CG 3.32Å |
| 121 | L | 48.3 | Very low | 63.8 | Low | 114 Ų | 114 | 74.4 Ų | 74.4 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -83.5 | -33.7 | 176.1 | -61.1 | 179.6 | 0 | 0 | 0 | 114.4 | L119 V123 L124 E125 | L119-L121 PolarHBondContact O-N 3.26Å; L119-L121 VanDerWaalsContact O-N 3.13Å; L121-V123 PolarHBondContact O-N 3.18Å; L121-L124 HydrophobicContact CD2-CD1 4.22Å; L121-L124 WeakPolarHBondContact O-CA 3.18Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.14Å; L121-E125 PolarHBondContact O-N 3.44Å |
| 122 | C | 51.5 | Low | 62 | Low | 38 Ų | 38 | 75.4 Ų | 75.4 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.7 | -31.7 | 178.4 | 176.8 | 0 | 0 | 0 | 0 | 112 | L119 L124 E125 L126 | L119-C122 HydrophobicContact CB-CB 3.93Å; L119-C122 HydrophobicContact CD2-CB 3.5Å; L119-C122 VanDerWaalsContact CD2-CB 3.5Å; L119-C122 HydrophobicContact CG-CB 4.2Å; L119-C122 PolarHBondContact O-N 2.81Å; C122-L124 PolarHBondContact O-N 2.9Å; C122-E125 PolarHBondContact O-N 3.3Å; C122-L126 WeakPolarHBondContact O-CB 3.49Å; C122-L126 PolarHBondContact O-N 3.48Å |
| 123 | V | 52.1 | Low | 60.2 | Low | 87 Ų | 87 | 80.3 Ų | 80.3 | 53% | 0.527 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.2 | -35.2 | 169.9 | -167.4 | 0 | 0 | 0 | 0 | 110.2 | L119 L121 I127 | L119-V123 PolarHBondContact O-N 2.89Å; L121-V123 PolarHBondContact O-N 3.18Å; V123-I127 HydrophobicContact CG1-CD1 3.85Å; V123-I127 HydrophobicContact CG1-CG1 4.38Å; V123-I127 WeakPolarHBondContact O-CB 3.29Å; V123-I127 VanDerWaalsContact O-CD1 3.26Å; V123-I127 WeakPolarHBondContact O-CD1 2.92Å; V123-I127 WeakPolarHBondContact O-CG1 3.29Å; V123-I127 PolarHBondContact O-N 3.45Å |
| 124 | L | 55.6 | Low | 58.5 | Low | 94 Ų | 94 | 87.1 Ų | 87.1 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.4 | -34.7 | 176.9 | -66.9 | 172.9 | 0 | 0 | 0 | 112.8 | T120 L121 C122 I127 S128 | T120-L124 WeakPolarHBondContact O-CG 3.32Å; L121-L124 HydrophobicContact CD2-CD1 4.22Å; L121-L124 WeakPolarHBondContact O-CA 3.18Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.14Å; C122-L124 PolarHBondContact O-N 2.9Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 CarbonylContact O-C 3.47Å; L124-I127 PolarHBondContact O-N 3.06Å; L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 3.18Å; L124-S128 PolarHBondContact O-OG 3.36Å |
| 125 | E | 52.6 | Low | 56.8 | Low | 92 Ų | 92 | 94.3 Ų | 94.3 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74 | -41.1 | 173.3 | -93 | -180 | 157.3 | 0 | 0 | 112.5 | L121 C122 I127 S128 H129 | L121-E125 PolarHBondContact O-N 3.44Å; C122-E125 PolarHBondContact O-N 3.3Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 PolarHBondContact O-N 3.03Å; E125-S128 CarbonylContact O-C 3.55Å; E125-S128 WeakPolarHBondContact O-CA 3.12Å; E125-S128 WeakPolarHBondContact O-CB 3.09Å; E125-S128 PolarHBondContact O-N 3.07Å; E125-H129 PolarHBondContact O-CD2 3.33Å; E125-H129 PolarHBondContact O-N 2.84Å |
| 126 | L | 52.7 | Low | 54.9 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 166.6 | -93.9 | 153.3 | 0 | 0 | 0 | 110.6 | C122 S128 H129 L130 | C122-L126 WeakPolarHBondContact O-CB 3.49Å; C122-L126 PolarHBondContact O-N 3.48Å; L126-S128 PolarHBondContact O-N 3.27Å; L126-H129 PolarHBondContact O-N 2.8Å; L126-L130 WeakPolarHBondContact O-CA 3.24Å; L126-L130 WeakPolarHBondContact O-CB 3.33Å; L126-L130 WeakPolarHBondContact O-CD1 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.02Å; L126-L130 PolarHBondContact O-N 3.45Å |
| 127 | I | 60.3 | Low | 52.8 | Low | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -29.2 | 172.4 | -72.7 | 163.9 | 0 | 0 | 0 | 111.2 | V123 L124 E125 G131 | V123-I127 HydrophobicContact CG1-CD1 3.85Å; V123-I127 HydrophobicContact CG1-CG1 4.38Å; V123-I127 WeakPolarHBondContact O-CB 3.29Å; V123-I127 VanDerWaalsContact O-CD1 3.26Å; V123-I127 WeakPolarHBondContact O-CD1 2.92Å; V123-I127 WeakPolarHBondContact O-CG1 3.29Å; V123-I127 PolarHBondContact O-N 3.45Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 CarbonylContact O-C 3.47Å; L124-I127 PolarHBondContact O-N 3.06Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 PolarHBondContact O-N 3.03Å; I127-G131 WeakPolarHBondContact O-CA 3.47Å; I127-G131 PolarHBondContact O-N 3.13Å |
| 128 | S | 62.9 | Low | 52 | Low | 76 Ų | 76 | 96 Ų | 96 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -82.2 | -35.3 | 178 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | L124 E125 L126 G131 G132 | L124-S128 VanDerWaalsContact O-CB 3.31Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 3.18Å; L124-S128 PolarHBondContact O-OG 3.36Å; E125-S128 CarbonylContact O-C 3.55Å; E125-S128 WeakPolarHBondContact O-CA 3.12Å; E125-S128 WeakPolarHBondContact O-CB 3.09Å; E125-S128 PolarHBondContact O-N 3.07Å; L126-S128 PolarHBondContact O-N 3.27Å; S128-G131 CarbonylContact O-C 3.47Å; S128-G131 WeakPolarHBondContact O-CA 3.25Å; S128-G131 PolarHBondContact O-N 3.18Å; S128-G132 PolarHBondContact O-N 3.37Å |
| 129 | H | 55.4 | Low | 51.8 | Low | 136 Ų | 136 | 92.4 Ų | 92.4 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.9 | -45 | 171.3 | -77.2 | -71.4 | 0 | 0 | 0 | 110.4 | E125 L126 G131 G132 L133 | E125-H129 PolarHBondContact O-CD2 3.33Å; E125-H129 PolarHBondContact O-N 2.84Å; L126-H129 PolarHBondContact O-N 2.8Å; H129-G131 PolarHBondContact O-N 3.28Å; H129-G132 PolarHBondContact O-N 3.09Å; H129-L133 VanDerWaalsContact O-CD1 3.28Å; H129-L133 WeakPolarHBondContact O-CD1 3.36Å; H129-L133 PolarHBondContact O-N 2.89Å |
| 130 | L | 58.9 | Low | 52 | Low | 85 Ų | 85 | 96.6 Ų | 96.6 | 45% | 0.445 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -30.8 | 167.7 | -64.4 | 170.9 | 0 | 0 | 0 | 111.1 | L126 L133 R134 | L126-L130 WeakPolarHBondContact O-CA 3.24Å; L126-L130 WeakPolarHBondContact O-CB 3.33Å; L126-L130 WeakPolarHBondContact O-CD1 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.02Å; L126-L130 PolarHBondContact O-N 3.45Å; L130-L133 CarbonylContact O-C 3.08Å; L130-L133 WeakPolarHBondContact O-CA 3.18Å; L130-L133 WeakPolarHBondContact O-CB 3.4Å; L130-L133 PolarHBondContact O-N 2.71Å; L130-R134 WeakPolarHBondContact O-CG 3.28Å; L130-R134 PolarHBondContact O-N 3.09Å |
| 131 | G | 57.9 | Low | 52.5 | Low | 22 Ų | 22 | 96.3 Ų | 96.3 | 23% | 0.227 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -72.5 | -30.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I127 S128 H129 R134 R135 | I127-G131 WeakPolarHBondContact O-CA 3.47Å; I127-G131 PolarHBondContact O-N 3.13Å; S128-G131 CarbonylContact O-C 3.47Å; S128-G131 WeakPolarHBondContact O-CA 3.25Å; S128-G131 PolarHBondContact O-N 3.18Å; H129-G131 PolarHBondContact O-N 3.28Å; G131-R134 WeakPolarHBondContact O-CB 3.28Å; G131-R134 PolarHBondContact O-N 3.3Å; G131-R134 VanDerWaalsContact O-N 3.15Å; G131-R135 PolarHBondContact O-N 3.35Å |
| 132 | G | 54.2 | Low | 53 | Low | 41 Ų | 41 | 94.9 Ų | 94.9 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S128 H129 R134 R135 | S128-G132 PolarHBondContact O-N 3.37Å; H129-G132 PolarHBondContact O-N 3.09Å; G132-R134 VanDerWaalsContact C-N 3.3Å; G132-R134 PolarHBondContact O-N 3.31Å; G132-R135 WeakPolarHBondContact O-CB 3.28Å; G132-R135 PolarHBondContact O-N 3.43Å; G132-R135 VanDerWaalsContact O-N 3.12Å |
| 133 | L | 50 | Low | 53.9 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.6 | -26.7 | 168.6 | -88.4 | 86 | 0 | 0 | 0 | 113.1 | H129 L130 R135 A136 | H129-L133 VanDerWaalsContact O-CD1 3.28Å; H129-L133 WeakPolarHBondContact O-CD1 3.36Å; H129-L133 PolarHBondContact O-N 2.89Å; L130-L133 CarbonylContact O-C 3.08Å; L130-L133 WeakPolarHBondContact O-CA 3.18Å; L130-L133 WeakPolarHBondContact O-CB 3.4Å; L130-L133 PolarHBondContact O-N 2.71Å; L133-R135 PolarHBondContact O-N 3.33Å; L133-A136 CarbonylContact O-C 3.51Å; L133-A136 VanDerWaalsContact O-CA 3.32Å; L133-A136 WeakPolarHBondContact O-CA 3.18Å; L133-A136 WeakPolarHBondContact O-CB 3.23Å; L133-A136 PolarHBondContact O-N 3.16Å; L133-A136 VanDerWaalsContact O-O 3.06Å |
| 134 | R | 47.8 | Very low | 54.7 | Low | 176 Ų | 176 | 98.3 Ų | 98.3 | 66% | 0.664 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -24.2 | 171.5 | -67.7 | 178.1 | -158.9 | -107.2 | 3 | 112.4 | L130 G131 G132 A136 | L130-R134 WeakPolarHBondContact O-CG 3.28Å; L130-R134 PolarHBondContact O-N 3.09Å; G131-R134 WeakPolarHBondContact O-CB 3.28Å; G131-R134 PolarHBondContact O-N 3.3Å; G131-R134 VanDerWaalsContact O-N 3.15Å; G132-R134 VanDerWaalsContact C-N 3.3Å; G132-R134 PolarHBondContact O-N 3.31Å; R134-A136 VanDerWaalsContact C-N 3.33Å |
| 135 | R | 49.5 | Very low | 55.6 | Low | 235 Ų | 235 | 97.4 Ų | 97.4 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.6 | -26.1 | 169.2 | -94 | -178.4 | -100.2 | -144 | -2.4 | 112.3 | G131 G132 L133 G137 | G131-R135 PolarHBondContact O-N 3.35Å; G132-R135 WeakPolarHBondContact O-CB 3.28Å; G132-R135 PolarHBondContact O-N 3.43Å; G132-R135 VanDerWaalsContact O-N 3.12Å; L133-R135 PolarHBondContact O-N 3.33Å; R135-G137 PolarHBondContact O-N 3.46Å; R135-G137 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 45.8 | Very low | 56.7 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -85.4 | 63.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L133 R134 T138 | L133-A136 CarbonylContact O-C 3.51Å; L133-A136 VanDerWaalsContact O-CA 3.32Å; L133-A136 WeakPolarHBondContact O-CA 3.18Å; L133-A136 WeakPolarHBondContact O-CB 3.23Å; L133-A136 PolarHBondContact O-N 3.16Å; L133-A136 VanDerWaalsContact O-O 3.06Å; R134-A136 VanDerWaalsContact C-N 3.33Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 PolarHBondContact O-N 3.3Å |
| 137 | G | 39.4 | Very low | 57.8 | Low | 59 Ų | 59 | 98.5 Ų | 98.5 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 53.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | R135 | R135-G137 PolarHBondContact O-N 3.46Å; R135-G137 VanDerWaalsContact O-N 3.16Å |
| 138 | T | 47.6 | Very low | 58.8 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 82% | 0.816 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | -4.6 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 118.2 | A136 | A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 PolarHBondContact O-N 3.3Å |
| 139 | A | 53.5 | Low | 59.6 | Low | 75 Ų | 75 | 102.6 Ų | 102.6 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -116.9 | -25.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 140 | L | 53.3 | Low | 60.8 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -90.9 | -12.3 | -169.1 | -72.7 | 167.6 | 0 | 0 | 0 | 115.4 | S142 T143 | L140-S142 VanDerWaalsContact C-N 3.31Å; L140-T143 PolarHBondContact O-OG1 2.91Å; L140-T143 VanDerWaalsContact O-OG1 3.14Å |
| 141 | T | 54.2 | Low | 61.9 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.9 | -23.6 | 176.7 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | T145 | T141-T145 PolarHBondContact O-N 2.75Å; T141-T145 PolarHBondContact O-OG1 3.28Å |
| 142 | S | 58.7 | Low | 63.1 | Low | 84 Ų | 84 | 106.8 Ų | 106.8 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -39.1 | 178.5 | -159.1 | 0 | 0 | 0 | 0 | 112 | L140 T145 H146 | L140-S142 VanDerWaalsContact C-N 3.31Å; S142-T145 PolarHBondContact O-OG1 3.18Å; S142-T145 VanDerWaalsContact O-OG1 3.06Å; S142-H146 VanDerWaalsContact O-CB 3.29Å; S142-H146 WeakPolarHBondContact O-CB 3.24Å; S142-H146 PolarHBondContact O-N 2.91Å |
| 143 | T | 69.8 | Low | 64.4 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 44% | 0.442 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.5 | -38.3 | 179.3 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | L140 H146 I147 | L140-T143 PolarHBondContact O-OG1 2.91Å; L140-T143 VanDerWaalsContact O-OG1 3.14Å; T143-H146 PolarHBondContact O-N 3.02Å; T143-I147 WeakPolarHBondContact O-CB 3.45Å; T143-I147 VanDerWaalsContact O-CG1 3.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.36Å; T143-I147 PolarHBondContact O-N 2.78Å |
| 144 | M | 69.1 | Low | 65.6 | Low | 126 Ų | 126 | 110.9 Ų | 110.9 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.7 | -45.5 | 175.1 | -84.4 | -94 | -160.8 | 0 | 0 | 112.4 | I147 Q148 | M144-I147 PolarHBondContact O-N 2.8Å; M144-Q148 WeakPolarHBondContact O-CB 3.21Å; M144-Q148 WeakPolarHBondContact O-CG 3.37Å; M144-Q148 PolarHBondContact O-N 2.85Å |
| 145 | T | 74.1 | Confident | 66.9 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 46% | 0.46 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 178 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | T141 S142 Q148 Q149 | T141-T145 PolarHBondContact O-N 2.75Å; T141-T145 PolarHBondContact O-OG1 3.28Å; S142-T145 PolarHBondContact O-OG1 3.18Å; S142-T145 VanDerWaalsContact O-OG1 3.06Å; T145-Q148 PolarHBondContact O-N 3.45Å; T145-Q149 WeakPolarHBondContact O-CB 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.33Å; T145-Q149 PolarHBondContact O-N 2.85Å |
| 146 | H | 75.6 | Confident | 68.1 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.3 | -43 | 174.6 | -168.7 | -119.2 | 0 | 0 | 0 | 112.6 | S142 T143 Q149 L150 | S142-H146 VanDerWaalsContact O-CB 3.29Å; S142-H146 WeakPolarHBondContact O-CB 3.24Å; S142-H146 PolarHBondContact O-N 2.91Å; T143-H146 PolarHBondContact O-N 3.02Å; H146-Q149 PolarHBondContact O-N 3.47Å; H146-L150 WeakPolarHBondContact O-CB 3.2Å; H146-L150 WeakPolarHBondContact O-CG 3.27Å; H146-L150 PolarHBondContact O-N 3.43Å |
| 147 | I | 76.7 | Confident | 69.1 | Low | 102 Ų | 102 | 112.3 Ų | 112.3 | 52% | 0.523 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | 175.7 | -68.4 | 166.6 | 0 | 0 | 0 | 110.4 | T143 M144 L150 Q151 | T143-I147 WeakPolarHBondContact O-CB 3.45Å; T143-I147 VanDerWaalsContact O-CG1 3.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.36Å; T143-I147 PolarHBondContact O-N 2.78Å; M144-I147 PolarHBondContact O-N 2.8Å; I147-L150 PolarHBondContact O-N 3.26Å; I147-Q151 WeakPolarHBondContact O-CB 3.42Å; I147-Q151 PolarHBondContact O-N 3.33Å |
| 148 | Q | 79.3 | Confident | 70 | Confident | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.5 | -38.2 | 175 | -78 | -177.9 | -20.4 | 0 | 0 | 112.9 | M144 T145 Q151 Q152 | M144-Q148 WeakPolarHBondContact O-CB 3.21Å; M144-Q148 WeakPolarHBondContact O-CG 3.37Å; M144-Q148 PolarHBondContact O-N 2.85Å; T145-Q148 PolarHBondContact O-N 3.45Å; Q148-Q151 PolarHBondContact O-N 3.26Å; Q148-Q152 PolarHBondContact O-N 3.41Å |
| 149 | Q | 80.4 | Confident | 70.4 | Confident | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.1 | -42.2 | 173.4 | -82.6 | 178.5 | -9.3 | 0 | 0 | 111.7 | T145 H146 Q152 Q153 | T145-Q149 WeakPolarHBondContact O-CB 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.33Å; T145-Q149 PolarHBondContact O-N 2.85Å; H146-Q149 PolarHBondContact O-N 3.47Å; Q149-Q152 PolarHBondContact O-N 3.42Å; Q149-Q153 WeakPolarHBondContact O-CG 3.16Å; Q149-Q153 PolarHBondContact O-N 3.43Å |
| 150 | L | 81.1 | Confident | 70.2 | Confident | 70 Ų | 70 | 114.1 Ų | 114.1 | 37% | 0.366 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.3 | -43 | 174 | -76.4 | 168 | 0 | 0 | 0 | 111.3 | H146 I147 Q152 Q153 I154 | H146-L150 WeakPolarHBondContact O-CB 3.2Å; H146-L150 WeakPolarHBondContact O-CG 3.27Å; H146-L150 PolarHBondContact O-N 3.43Å; I147-L150 PolarHBondContact O-N 3.26Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 2.95Å; L150-Q153 PolarHBondContact O-N 2.92Å; L150-I154 WeakPolarHBondContact O-CG1 3.26Å; L150-I154 PolarHBondContact O-N 3Å |
| 151 | Q | 82.1 | Confident | 70.4 | Confident | 126 Ų | 126 | 118.8 Ų | 118.8 | 59% | 0.589 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.1 | -41.1 | 176.2 | -150.1 | 85.8 | 0.1 | 0 | 0 | 111.7 | I147 Q148 I154 N155 | I147-Q151 WeakPolarHBondContact O-CB 3.42Å; I147-Q151 PolarHBondContact O-N 3.33Å; Q148-Q151 PolarHBondContact O-N 3.26Å; Q151-I154 PolarHBondContact O-N 3.18Å; Q151-N155 PolarHBondContact O-N 3.14Å; Q151-N155 VanDerWaalsContact O-N 3.08Å |
| 152 | Q | 82 | Confident | 70.2 | Confident | 136 Ų | 136 | 124.3 Ų | 124.3 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.6 | -34 | 176.2 | -78.8 | -179.8 | -1.8 | 0 | 0 | 112.7 | Q148 Q149 L150 R156 | Q148-Q152 PolarHBondContact O-N 3.41Å; Q149-Q152 PolarHBondContact O-N 3.42Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 2.95Å; Q152-R156 WeakPolarHBondContact O-CB 3.31Å; Q152-R156 WeakPolarHBondContact O-CG 3.38Å; Q152-R156 PolarHBondContact O-N 3.4Å; Q152-R156 VanDerWaalsContact O-N 3.16Å |
| 153 | Q | 81.8 | Confident | 69.6 | Low | 111 Ų | 111 | 127 Ų | 127 | 52% | 0.519 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 174.5 | -74.7 | -178.7 | -12.5 | 0 | 0 | 111.8 | Q149 L150 N155 R156 Q157 | Q149-Q153 WeakPolarHBondContact O-CG 3.16Å; Q149-Q153 PolarHBondContact O-N 3.43Å; L150-Q153 PolarHBondContact O-N 2.92Å; Q153-N155 PolarHBondContact O-N 3.23Å; Q153-R156 PolarHBondContact O-N 2.96Å; Q153-Q157 PolarHBondContact O-N 3.32Å |
| 154 | I | 76.7 | Confident | 68.5 | Low | 118 Ų | 118 | 128 Ų | 128 | 61% | 0.605 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.5 | -45.7 | 177 | -68.5 | 167.8 | 0 | 0 | 0 | 110.4 | L150 Q151 R156 Q157 | L150-I154 WeakPolarHBondContact O-CG1 3.26Å; L150-I154 PolarHBondContact O-N 3Å; Q151-I154 PolarHBondContact O-N 3.18Å; I154-R156 VanDerWaalsContact C-N 3.27Å; I154-R156 PolarHBondContact O-N 3.38Å; I154-Q157 PolarHBondContact O-N 3.42Å |
| 155 | N | 75 | Confident | 67.5 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -25.7 | 178.8 | -104.9 | -2.4 | 0 | 0 | 0 | 113.7 | Q151 Q153 | Q151-N155 PolarHBondContact O-N 3.14Å; Q151-N155 VanDerWaalsContact O-N 3.08Å; Q153-N155 PolarHBondContact O-N 3.23Å |
| 156 | R | 74.2 | Confident | 66.5 | Low | 227 Ų | 227 | 129.8 Ų | 129.8 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -78.9 | -21 | 177.7 | -81.9 | -175 | 144.4 | -154.7 | -6.7 | 114 | Q152 Q153 I154 | Q152-R156 WeakPolarHBondContact O-CB 3.31Å; Q152-R156 WeakPolarHBondContact O-CG 3.38Å; Q152-R156 PolarHBondContact O-N 3.4Å; Q152-R156 VanDerWaalsContact O-N 3.16Å; Q153-R156 PolarHBondContact O-N 2.96Å; I154-R156 VanDerWaalsContact C-N 3.27Å; I154-R156 PolarHBondContact O-N 3.38Å |
| 157 | Q | 65.6 | Low | 65.1 | Low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -96.9 | -6.3 | -175.7 | -69.3 | -175.2 | 15.9 | 0 | 0 | 114 | Q153 I154 P159 | Q153-Q157 PolarHBondContact O-N 3.32Å; I154-Q157 PolarHBondContact O-N 3.42Å; Q157-P159 WeakPolarHBondContact O-CD 3.29Å; Q157-P159 VanDerWaalsContact O-N 3.11Å |
| 158 | A | 59.2 | Low | 63.6 | Low | 73 Ų | 73 | 134.9 Ų | 134.9 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | trans | -66.9 | 108.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 159 | P | 56.3 | Low | 62.2 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -78.3 | 129.8 | 174.6 | -0.8 | 21.3 | 0 | 0 | 0 | 108.2 | Q157 K161 | Q157-P159 WeakPolarHBondContact O-CD 3.29Å; Q157-P159 VanDerWaalsContact O-N 3.11Å; P159-K161 PolarHBondContact O-N 2.97Å | ||
| 160 | S | 49.9 | Very low | 60.9 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -59.2 | 106.9 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 161 | K | 57.1 | Low | 59 | Low | 201 Ų | 201 | 136.3 Ų | 136.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -114.8 | 116.6 | 161 | -75.5 | -170.8 | 178.7 | -177.7 | 0 | 109.8 | P159 | P159-K161 PolarHBondContact O-N 2.97Š| ||
| 162 | R | 48.9 | Very low | 57.7 | Low | 221 Ų | 221 | 135.2 Ų | 135.2 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -65.9 | 160.2 | 175 | -66.4 | 176.8 | 177.9 | -165.3 | -2.2 | 111 | ||||
| 163 | T | 45.9 | Very low | 56 | Low | 141 Ų | 141 | 135.6 Ų | 135.6 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | 67.1 | 136.6 | 152.9 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 164 | A | 47.6 | Very low | 54 | Low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -154.5 | 157.2 | 18.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 165 | S | 47.8 | Very low | 52.7 | Low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 130.4 | 170.7 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 166 | V | 54 | Low | 51.5 | Low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -129.2 | 112.9 | 152.7 | 177.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 167 | T | 44.9 | Very low | 50.1 | Low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 114.7 | 167.5 | 41.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 168 | E | 46.2 | Very low | 48.8 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -131.2 | 114.1 | 158.8 | -87.5 | -177.5 | 131.5 | 0 | 0 | 109.5 | ||||
| 169 | S | 49.5 | Very low | 47.6 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -87 | 126.9 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 170 | A | 53 | Low | 46.7 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -163.7 | 120.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 171 | P | 41.5 | Very low | 46.1 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -120.6 | 111.5 | 159 | 33.4 | -18.5 | 0 | 0 | 0 | 109.3 | ||||
| 172 | S | 55 | Low | 45 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -165.9 | 115.3 | 155.6 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 173 | N | 46.7 | Very low | 44.3 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 178.9 | 107.4 | 113.4 | -85.1 | -15 | 0 | 0 | 0 | 108.2 | |||||
| 174 | G | 39.6 | Very low | 43.5 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -71.1 | 125.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 175 | L | 48.4 | Very low | 42.7 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -125.4 | 107.4 | 157.3 | -97.2 | 85.4 | 0 | 0 | 0 | 106.6 | ||||
| 176 | T | 50.5 | Low | 41.9 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 129.7 | 165.4 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 177 | P | 44.2 | Very low | 40.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 148.5 | 169.6 | -11.7 | 27.5 | 0 | 0 | 0 | 110.8 | ||
| 178 | P | 39.9 | Very low | 40.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 144.1 | -178.8 | 30.5 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 179 | E | 33.8 | Very low | 39.4 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 140 | 173.9 | -73.6 | -169.5 | 149.8 | 0 | 0 | 112.1 | ||
| 180 | P | 36.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 151.8 | 171.1 | 30.1 | -32.1 | 0 | 0 | 0 | 112.3 | ||
| 181 | P | 37 | Very low | 37.5 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.4 | -170.5 | 29 | -33.6 | 0 | 0 | 0 | 113.1 | S183 | P181-S183 PolarHBondContact O-N 3.29Š|
| 182 | K | 33.4 | Very low | 37.3 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -65 | 113.6 | 177.8 | -62.3 | 176.8 | -178.5 | 179.4 | 0 | 110.7 | I184 | K182-I184 PolarHBondContact O-N 2.94Š| ||
| 183 | S | 35.3 | Very low | 36.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -73.5 | 118.8 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 110 | P181 Y185 | P181-S183 PolarHBondContact O-N 3.29Å; S183-Y185 PolarHBondContact O-N 3.44Å | ||
| 184 | I | 28.6 | Very low | 35.7 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -84.6 | 97.3 | 176.5 | -66.3 | 165.6 | 0 | 0 | 0 | 107.1 | K182 K186 | K182-I184 PolarHBondContact O-N 2.94Å; I184-K186 HydrophobicContact CG2-CG 4.1Å | ||
| 185 | Y | 30.5 | Very low | 35.5 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 74% | 0.737 | 78% | 0.775 | S | S | * | * | trans | -91.6 | 107.8 | 163.8 | -139.6 | -91.7 | 0 | 0 | 0 | 108.5 | S183 | S183-Y185 PolarHBondContact O-N 3.44Š| ||
| 186 | K | 30.3 | Very low | 34.9 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | -90.5 | 105.7 | 168.3 | -81.5 | 179.8 | 174.1 | -175.6 | 0 | 107.7 | I184 | I184-K186 HydrophobicContact CG2-CG 4.1Š| ||
| 187 | S | 32.9 | Very low | 34.3 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 132.1 | 166.9 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | I189 | S187-I189 PolarHBondContact O-N 3.24Š| ||
| 188 | P | 33.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -75.9 | 119.7 | 168.1 | -6.8 | 23.7 | 0 | 0 | 0 | 109.4 | V190 | P188-V190 PolarHBondContact O-N 3.38Š| ||
| 189 | I | 26.4 | Very low | 34.1 | Very low | 158 Ų | 158 | 130 Ų | 130 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -66.3 | 111.3 | 167.4 | -60.5 | 166.1 | 0 | 0 | 0 | 107.2 | S187 | S187-I189 PolarHBondContact O-N 3.24Š| ||
| 190 | V | 34.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | -120.8 | 103.4 | 162.9 | 171.9 | 0 | 0 | 0 | 0 | 107.7 | P188 S192 | P188-V190 PolarHBondContact O-N 3.38Å; V190-S192 PolarHBondContact O-N 2.93Å | ||
| 191 | S | 28.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | trans | -64.1 | 122 | 161.3 | -47.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 192 | S | 38.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -153.6 | 113.8 | 157.5 | -72.1 | 0 | 0 | 0 | 0 | 108.1 | V190 | V190-S192 PolarHBondContact O-N 2.93Š| ||
| 193 | D | 31.2 | Very low | 34.9 | Very low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | trans | -53.8 | 160.2 | 167.2 | -62.1 | -61.6 | 0 | 0 | 0 | 111 | ||||
| 194 | E | 36.7 | Very low | 35.4 | Very low | 194 Ų | 194 | 114.4 Ų | 114.4 | 91% | 0.907 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 97.3 | 94.3 | 170.8 | -48.7 | -77.6 | 128.3 | 0 | 0 | 116.3 | ||
| 195 | G | 34.5 | Very low | 36.2 | Very low | 76 Ų | 76 | 110.4 Ų | 110.4 | 78% | 0.784 | 63% | 0.631 | S | S | * | * | trans | 95.5 | 51.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119 | S197 | G195-S197 PolarHBondContact O-N 2.89Å; G195-S197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | S | 37 | Very low | 37 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | trans | -74.3 | 102.9 | 170.6 | 55 | 0 | 0 | 0 | 0 | 111.7 | T198 | S196-T198 PolarHBondContact O-N 3.3Š| ||
| 197 | S | 37.9 | Very low | 37.8 | Very low | 114 Ų | 114 | 102.1 Ų | 102.1 | 80% | 0.797 | 60% | 0.602 | S | S | * | * | trans | -74.7 | 110.5 | 156.9 | -56.5 | 0 | 0 | 0 | 0 | 106.3 | G195 | G195-S197 PolarHBondContact O-N 2.89Å; G195-S197 VanDerWaalsContact O-N 3.16Å | ||
| 198 | T | 41.9 | Very low | 38.4 | Very low | 60 Ų | 60 | 105.5 Ų | 105.5 | 37% | 0.368 | 61% | 0.609 | S | S | . | * | trans | -81.4 | 148.2 | -170.8 | 61 | 0 | 0 | 0 | 0 | 109.8 | S196 C200 D201 | S196-T198 PolarHBondContact O-N 3.3Å; T198-C200 PolarHBondContact O-N 3.36Å; T198-D201 PolarHBondContact N-OD2 3.1Å; T198-D201 WeakPolarHBondContact O-CB 3.41Å; T198-D201 PolarHBondContact O-N 3.02Å; T198-D201 PolarHBondContact OG1-OD2 3.39Å | ||
| 199 | W | 37.7 | Very low | 38.9 | Very low | 113 Ų | 113 | 105.7 Ų | 105.7 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -54.8 | -21.9 | 171.5 | -81.2 | 74.4 | 0 | 0 | 0 | 112.8 | M1 M66 D201 F202 F203 | M1-W199 HydrophobicContact CE-CZ2 4.4Å; M66-W199 HydrophobicContact SD-CH2 4.19Å; M66-W199 HydrophobicContact SD-CZ3 4.32Å; W199-D201 VanDerWaalsContact C-N 3.27Å; W199-D201 PolarHBondContact O-N 3.28Å; W199-F202 PolarHBondContact O-N 3.27Å; W199-F203 HydrophobicContact CE3-CE2 4.05Å; W199-F203 WeakPolarHBondContact O-CD2 3.37Å; W199-F203 PolarHBondContact O-N 3.44Å |
| 200 | C | 40.2 | Very low | 40.1 | Very low | 59 Ų | 59 | 104.8 Ų | 104.8 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.4 | -34.8 | 171.5 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | T198 F202 F203 A204 | T198-C200 PolarHBondContact O-N 3.36Å; C200-F202 VanDerWaalsContact C-N 3.32Å; C200-F202 PolarHBondContact O-N 2.7Å; C200-F203 PolarHBondContact O-N 3Å; C200-A204 VanDerWaalsContact O-CB 3.27Å; C200-A204 WeakPolarHBondContact O-CB 3.31Å; C200-A204 PolarHBondContact O-N 3.02Å |
| 201 | D | 40.4 | Very low | 40.9 | Very low | 96 Ų | 96 | 104.9 Ų | 104.9 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.5 | -33.3 | 178.8 | -60 | -50.6 | 0 | 0 | 0 | 111.5 | T198 W199 S205 | T198-D201 PolarHBondContact N-OD2 3.1Å; T198-D201 WeakPolarHBondContact O-CB 3.41Å; T198-D201 PolarHBondContact O-N 3.02Å; T198-D201 PolarHBondContact OG1-OD2 3.39Å; W199-D201 VanDerWaalsContact C-N 3.27Å; W199-D201 PolarHBondContact O-N 3.28Å; D201-S205 WeakPolarHBondContact O-CB 3.12Å; D201-S205 PolarHBondContact O-N 3.38Å; D201-S205 VanDerWaalsContact O-N 3.16Å |
| 202 | F | 37.8 | Very low | 41.7 | Very low | 109 Ų | 109 | 103.3 Ų | 103.3 | 48% | 0.478 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.6 | -46.7 | 176.1 | -166.2 | -97 | 0 | 0 | 0 | 111.4 | W199 C200 S205 E206 | W199-F202 PolarHBondContact O-N 3.27Å; C200-F202 VanDerWaalsContact C-N 3.32Å; C200-F202 PolarHBondContact O-N 2.7Å; F202-S205 PolarHBondContact O-N 3.16Å; F202-S205 PolarHBondContact O-OG 2.92Å; F202-E206 PolarHBondContact O-N 2.91Å |
| 203 | F | 40.1 | Very low | 41.9 | Very low | 77 Ų | 77 | 107.2 Ų | 107.2 | 34% | 0.338 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.7 | -33.7 | 178.3 | -70.9 | -67.4 | 0 | 0 | 0 | 113.5 | W199 C200 S205 E206 E207 | W199-F203 HydrophobicContact CE3-CE2 4.05Å; W199-F203 WeakPolarHBondContact O-CD2 3.37Å; W199-F203 PolarHBondContact O-N 3.44Å; C200-F203 PolarHBondContact O-N 3Å; F203-S205 VanDerWaalsContact C-N 3.28Å; F203-S205 PolarHBondContact O-N 2.88Å; F203-E206 PolarHBondContact O-N 3.41Å; F203-E207 PolarHBondContact O-N 3.33Å |
| 204 | A | 45.7 | Very low | 42.8 | Very low | 56 Ų | 56 | 108.4 Ų | 108.4 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63 | -37.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C200 E208 | C200-A204 VanDerWaalsContact O-CB 3.27Å; C200-A204 WeakPolarHBondContact O-CB 3.31Å; C200-A204 PolarHBondContact O-N 3.02Å; A204-E208 PolarHBondContact O-N 3.31Å |
| 205 | S | 45.7 | Very low | 43.4 | Very low | 57 Ų | 57 | 106.4 Ų | 106.4 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69 | -33.8 | 179.5 | 80.3 | 0 | 0 | 0 | 0 | 113.4 | D201 F202 F203 N209 | D201-S205 WeakPolarHBondContact O-CB 3.12Å; D201-S205 PolarHBondContact O-N 3.38Å; D201-S205 VanDerWaalsContact O-N 3.16Å; F202-S205 PolarHBondContact O-N 3.16Å; F202-S205 PolarHBondContact O-OG 2.92Å; F203-S205 VanDerWaalsContact C-N 3.28Å; F203-S205 PolarHBondContact O-N 2.88Å; S205-N209 WeakPolarHBondContact O-CB 3.46Å; S205-N209 PolarHBondContact O-N 2.91Å; S205-N209 VanDerWaalsContact O-N 3.09Å |
| 206 | E | 46.6 | Very low | 43.8 | Very low | 81 Ų | 81 | 117 Ų | 117 | 38% | 0.379 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.8 | -34.8 | 177.5 | -81.3 | -158.9 | 146 | 0 | 0 | 113.4 | F202 F203 N209 K210 | F202-E206 PolarHBondContact O-N 2.91Å; F203-E206 PolarHBondContact O-N 3.41Å; E206-N209 PolarHBondContact O-N 3.27Å; E206-K210 WeakPolarHBondContact O-CG 3.23Å; E206-K210 PolarHBondContact O-N 2.64Å |
| 207 | E | 46.4 | Very low | 44.2 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.2 | -33.5 | 178 | -151.4 | -171.5 | 145.4 | 0 | 0 | 111.7 | F203 K211 | F203-E207 PolarHBondContact O-N 3.33Å; E207-K211 WeakPolarHBondContact O-CG 3.43Å; E207-K211 PolarHBondContact O-N 3.1Å; E207-K211 WeakPolarHBondContact OE1-CE 3.4Å; E207-K211 IonicContact OE1-NZ 3.98Å; E207-K211 PolarHBondContact OE1-NZ 3.22Å |
| 208 | E | 46.4 | Very low | 44.5 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 169.8 | -74.9 | -170.3 | 150.1 | 0 | 0 | 112.1 | A204 K211 S212 | A204-E208 PolarHBondContact O-N 3.31Å; E208-K211 PolarHBondContact O-N 3.41Å; E208-S212 PolarHBondContact O-N 3.46Å; E208-S212 VanDerWaalsContact O-N 3.1Å |
| 209 | N | 43.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.3 | -32 | 179.3 | -148.2 | 13 | 0 | 0 | 0 | 112.6 | S205 E206 S212 | S205-N209 WeakPolarHBondContact O-CB 3.46Å; S205-N209 PolarHBondContact O-N 2.91Å; S205-N209 VanDerWaalsContact O-N 3.09Å; E206-N209 PolarHBondContact O-N 3.27Å; N209-S212 PolarHBondContact O-N 3.48Å |
| 210 | K | 50.8 | Low | 45.1 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.5 | -30.4 | 172.6 | -73.2 | 171.1 | -177.3 | 163.7 | 0 | 112.9 | E206 | E206-K210 WeakPolarHBondContact O-CG 3.23Å; E206-K210 PolarHBondContact O-N 2.64Å |
| 211 | K | 51.6 | Low | 45.4 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 52% | 0.522 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.8 | -27.8 | 174.1 | -72.3 | 169.2 | -172.3 | 163.2 | 0 | 112.8 | E207 E208 F213 | E207-K211 WeakPolarHBondContact O-CG 3.43Å; E207-K211 PolarHBondContact O-N 3.1Å; E207-K211 WeakPolarHBondContact OE1-CE 3.4Å; E207-K211 IonicContact OE1-NZ 3.98Å; E207-K211 PolarHBondContact OE1-NZ 3.22Å; E208-K211 PolarHBondContact O-N 3.41Å; K211-F213 VanDerWaalsContact C-N 3.35Å |
| 212 | S | 45.2 | Very low | 45.7 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.1 | -27.4 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 113.3 | E208 N209 | E208-S212 PolarHBondContact O-N 3.46Å; E208-S212 VanDerWaalsContact O-N 3.1Å; N209-S212 PolarHBondContact O-N 3.48Å |
| 213 | F | 42.3 | Very low | 46.3 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -9.1 | 179.5 | -155.2 | -100.3 | 0 | 0 | 0 | 114.5 | K211 | K211-F213 VanDerWaalsContact C-N 3.35Š|
| 214 | M | 50.8 | Low | 46.7 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 85% | 0.852 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 4.8 | 176.1 | -71.9 | -140.4 | -171.5 | 0 | 0 | 114.5 | ||
| 215 | L | 48.6 | Very low | 46.8 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 80% | 0.801 | 66% | 0.658 | S | S | * | * | trans | -124.9 | 20.9 | -177 | -89.4 | 157.9 | 0 | 0 | 0 | 114.4 | ||||
| 216 | R | 44 | Very low | 46.9 | Very low | 298 Ų | 298 | 146.3 Ų | 146.3 | 100% | 1.125 | 68% | 0.681 | S | S | * | * | trans | -133.5 | 0 | 169.9 | -85.6 | -174.4 | 175.3 | 167.4 | 1 | 112.6 |
Retrieved 216 of 216 residues in 133.7 ms
(Link to these results)