| 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 | 78.1 | Confident | 90.4 | Very high | 127 Ų | 127 | 59.9 Ų | 59.9 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | 0 | 174.8 | 0 | -81.3 | 164.5 | 70.9 | 0 | 0 | 107.2 | E5 W6 A9 E125 | M1-E5 HydrophobicContact CB-CB 3.94Å; M1-E5 HydrophobicContact CE-CB 3.53Å; M1-E5 HydrophobicContact CG-CB 3.98Å; M1-E5 HydrophobicContact CG-CG 4.47Å; M1-W6 HydrophobicContact CB-CZ2 4.37Å; M1-W6 HydrophobicContact CE-CD2 4.16Å; M1-W6 HydrophobicContact CE-CE3 4.28Å; M1-W6 HydrophobicContact SD-CH2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.17Å; M1-A9 HydrophobicContact CE-CB 4.41Å; M1-E125 VanDerWaalsContact C-OE2 3.29Å; M1-E125 WeakPolarHBondContact CA-OE1 3.28Å; M1-E125 PolarHBondContact N-OE1 3.23Å; M1-E125 VanDerWaalsContact O-OE1 3.09Å | |||
| 2 | G | 88.7 | Confident | 90.6 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | trans | -125.9 | -177.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q4 E5 W6 | G2-Q4 VanDerWaalsContact C-N 3.26Å; G2-Q4 PolarHBondContact O-N 2.78Å; G2-E5 WeakPolarHBondContact CA-OE2 3.3Å; G2-E5 PolarHBondContact N-OE2 3.36Å; G2-E5 PolarHBondContact O-N 3.34Å; G2-E5 VanDerWaalsContact O-OE2 3.05Å; G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.2Å; G2-W6 VanDerWaalsContact O-N 3.1Å | ||
| 3 | L | 92.3 | Very high | 90.8 | Very high | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.4 | -43.7 | -178.8 | 172 | 63.7 | 0 | 0 | 0 | 113.3 | W6 L7 M89 W92 A93 | L3-W6 PolarHBondContact O-N 3.03Å; L3-L7 HydrophobicContact CD1-CD1 3.94Å; L3-L7 HydrophobicContact CD1-CG 4.03Å; L3-L7 HydrophobicContact CG-CD1 3.94Å; L3-L7 HydrophobicContact CG-CG 4.44Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.29Å; L3-M89 HydrophobicContact CD1-SD 4.38Å; L3-W92 HydrophobicContact CB-CD2 4.11Å; L3-W92 HydrophobicContact CB-CE3 4.4Å; L3-W92 HydrophobicContact CB-CZ2 4.39Å; L3-W92 HydrophobicContact CD1-CB 4Å; L3-W92 HydrophobicContact CD1-CD2 3.89Å; L3-W92 HydrophobicContact CD1-CE3 3.95Å; L3-W92 HydrophobicContact CD1-CG 3.91Å; L3-W92 HydrophobicContact CG-CD2 4.49Å; L3-A93 HydrophobicContact CD1-CB 4.47Å; L3-A93 HydrophobicContact CD2-CB 3.98Å |
| 4 | Q | 92.7 | Very high | 90.9 | Very high | 112 Ų | 112 | 60.7 Ų | 60.7 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | -176.2 | -66.3 | -56.3 | -50.5 | 0 | 0 | 111.7 | G2 W6 L7 L8 | G2-Q4 VanDerWaalsContact C-N 3.26Å; G2-Q4 PolarHBondContact O-N 2.78Å; Q4-W6 VanDerWaalsContact C-N 3.33Å; Q4-W6 PolarHBondContact O-N 3.32Å; Q4-L7 PolarHBondContact O-N 2.99Å; Q4-L8 WeakPolarHBondContact O-CB 3.48Å; Q4-L8 WeakPolarHBondContact O-CD1 3.42Å; Q4-L8 WeakPolarHBondContact O-CG 2.83Å; Q4-L8 PolarHBondContact O-N 3.43Å |
| 5 | E | 92.9 | Very high | 91 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 178.1 | -62.8 | 84.7 | 171.3 | 0 | 0 | 111.7 | M1 G2 L8 A9 | M1-E5 HydrophobicContact CB-CB 3.94Å; M1-E5 HydrophobicContact CE-CB 3.53Å; M1-E5 HydrophobicContact CG-CB 3.98Å; M1-E5 HydrophobicContact CG-CG 4.47Å; G2-E5 WeakPolarHBondContact CA-OE2 3.3Å; G2-E5 PolarHBondContact N-OE2 3.36Å; G2-E5 PolarHBondContact O-N 3.34Å; G2-E5 VanDerWaalsContact O-OE2 3.05Å; E5-L8 PolarHBondContact O-N 3.13Å; E5-A9 WeakPolarHBondContact O-CB 3.31Å; E5-A9 PolarHBondContact O-N 3.13Å |
| 6 | W | 93.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.7 | -43.5 | 174.1 | -72.9 | 114.7 | 0 | 0 | 0 | 112.4 | M1 G2 L3 Q4 L8 A9 G10 Y85 M89 F117 T121 I122 E125 | M1-W6 HydrophobicContact CB-CZ2 4.37Å; M1-W6 HydrophobicContact CE-CD2 4.16Å; M1-W6 HydrophobicContact CE-CE3 4.28Å; M1-W6 HydrophobicContact SD-CH2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.17Å; G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.2Å; G2-W6 VanDerWaalsContact O-N 3.1Å; L3-W6 PolarHBondContact O-N 3.03Å; Q4-W6 VanDerWaalsContact C-N 3.33Å; Q4-W6 PolarHBondContact O-N 3.32Å; W6-L8 VanDerWaalsContact C-N 3.27Å; W6-L8 PolarHBondContact O-N 2.7Å; W6-A9 HydrophobicContact CE3-CB 4.19Å; W6-A9 WeakPolarHBondContact O-CA 3.48Å; W6-A9 WeakPolarHBondContact O-CB 3.45Å; W6-A9 PolarHBondContact O-N 3.02Å; W6-G10 PolarHBondContact O-N 2.89Å; W6-Y85 PolarHBondContact O-OH 3.06Å; W6-M89 HydrophobicContact CB-CE 4.45Å; W6-M89 HydrophobicContact CB-SD 3.69Å; W6-F117 HydrophobicContact CZ3-CE2 4.47Å; W6-T121 HydrophobicContact CH2-CG2 4.38Å; W6-T121 HydrophobicContact CZ2-CG2 3.73Å; W6-I122 HydrophobicContact CD2-CD1 3.84Å; W6-I122 HydrophobicContact CD2-CG1 3.48Å; W6-I122 VanDerWaalsContact CD2-CG1 3.48Å; W6-I122 HydrophobicContact CE3-CD1 3.74Å; W6-I122 HydrophobicContact CE3-CG1 3.81Å; W6-I122 HydrophobicContact CG-CD1 4.25Å; W6-I122 HydrophobicContact CG-CG1 3.88Å; W6-I122 HydrophobicContact CH2-CG1 4.21Å; W6-I122 HydrophobicContact CZ2-CG1 3.91Å; W6-I122 HydrophobicContact CZ3-CD1 4.17Å; W6-I122 HydrophobicContact CZ3-CG1 4.16Å; W6-E125 VanDerWaalsContact NE1-CD 3.33Å; W6-E125 PolarHBondContact NE1-OE1 3.42Å; W6-E125 PolarHBondContact NE1-OE2 2.8Å |
| 7 | L | 93.4 | Very high | 91.3 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.1 | -43.8 | 172.6 | -74.6 | 169.5 | 0 | 0 | 0 | 111.9 | L3 Q4 G10 Q11 L41 M89 | L3-L7 HydrophobicContact CD1-CD1 3.94Å; L3-L7 HydrophobicContact CD1-CG 4.03Å; L3-L7 HydrophobicContact CG-CD1 3.94Å; L3-L7 HydrophobicContact CG-CG 4.44Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.29Å; Q4-L7 PolarHBondContact O-N 2.99Å; L7-G10 PolarHBondContact O-N 2.99Å; L7-Q11 PolarHBondContact O-N 3.07Å; L7-L41 HydrophobicContact CD2-CD1 3.99Å; L7-L41 HydrophobicContact CD2-CD2 4.08Å; L7-L41 HydrophobicContact CD2-CG 4.03Å; L7-M89 HydrophobicContact CD2-CB 3.87Å; L7-M89 HydrophobicContact CD2-CG 4.32Å |
| 8 | L | 92.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.9 | -78.6 | 156.4 | 0 | 0 | 0 | 112.1 | Q4 E5 W6 G10 Q11 N12 | Q4-L8 WeakPolarHBondContact O-CB 3.48Å; Q4-L8 WeakPolarHBondContact O-CD1 3.42Å; Q4-L8 WeakPolarHBondContact O-CG 2.83Å; Q4-L8 PolarHBondContact O-N 3.43Å; E5-L8 PolarHBondContact O-N 3.13Å; W6-L8 VanDerWaalsContact C-N 3.27Å; W6-L8 PolarHBondContact O-N 2.7Å; L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 2.9Å; L8-Q11 PolarHBondContact O-N 3.16Å; L8-N12 WeakPolarHBondContact O-CB 3.13Å; L8-N12 VanDerWaalsContact O-CG 3.25Å; L8-N12 PolarHBondContact O-N 3.14Å; L8-N12 PolarHBondContact O-ND2 2.91Å |
| 9 | A | 90.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 E5 W6 N12 N13 | M1-A9 HydrophobicContact CE-CB 4.41Å; E5-A9 WeakPolarHBondContact O-CB 3.31Å; E5-A9 PolarHBondContact O-N 3.13Å; W6-A9 HydrophobicContact CE3-CB 4.19Å; W6-A9 WeakPolarHBondContact O-CA 3.48Å; W6-A9 WeakPolarHBondContact O-CB 3.45Å; W6-A9 PolarHBondContact O-N 3.02Å; A9-N12 PolarHBondContact O-N 3.24Å; A9-N13 WeakPolarHBondContact O-CB 3.19Å; A9-N13 PolarHBondContact O-N 2.91Å; A9-N13 PolarHBondContact O-ND2 2.88Å |
| 10 | G | 89.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W6 L7 L8 N12 E14 Y85 | W6-G10 PolarHBondContact O-N 2.89Å; L7-G10 PolarHBondContact O-N 2.99Å; L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 2.9Å; G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.25Å; G10-E14 WeakPolarHBondContact O-CB 3.31Å; G10-E14 PolarHBondContact O-N 3.18Å; G10-Y85 WeakPolarHBondContact CA-OH 3.22Å; G10-Y85 PolarHBondContact N-OH 3.36Å |
| 11 | Q | 90.8 | Very high | 91.8 | Very high | 108 Ų | 108 | 60 Ų | 60 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.2 | 172.5 | 171.3 | -1 | 0 | 0 | 112.5 | L7 L8 R42 | L7-Q11 PolarHBondContact O-N 3.07Å; L8-Q11 PolarHBondContact O-N 3.16Å; Q11-R42 HydrophobicContact CB-CG 4.41Å |
| 12 | N | 92.1 | Very high | 92.5 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -77.8 | -30.2 | -176.7 | -67.9 | -24 | 0 | 0 | 0 | 112.9 | L8 A9 G10 | L8-N12 WeakPolarHBondContact O-CB 3.13Å; L8-N12 VanDerWaalsContact O-CG 3.25Å; L8-N12 PolarHBondContact O-N 3.14Å; L8-N12 PolarHBondContact O-ND2 2.91Å; A9-N12 PolarHBondContact O-N 3.24Å; G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.25Å |
| 13 | N | 93 | Very high | 92.7 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -110.2 | -6.7 | -171.2 | -60.2 | -65.3 | 0 | 0 | 0 | 114.6 | A9 K15 Q16 W17 | A9-N13 WeakPolarHBondContact O-CB 3.19Å; A9-N13 PolarHBondContact O-N 2.91Å; A9-N13 PolarHBondContact O-ND2 2.88Å; N13-K15 VanDerWaalsContact C-N 3.27Å; N13-K15 PolarHBondContact O-N 2.62Å; N13-K15 VanDerWaalsContact O-N 3.14Å; N13-Q16 WeakPolarHBondContact O-CB 3.43Å; N13-Q16 PolarHBondContact O-N 2.99Å; N13-W17 HydrophobicContact CB-CD2 3.98Å; N13-W17 VanDerWaalsContact CB-CE2 3.43Å; N13-W17 HydrophobicContact CB-CG 4.38Å; N13-W17 HydrophobicContact CB-CH2 4.39Å; N13-W17 HydrophobicContact CB-CZ2 3.66Å; N13-W17 PolarHBondContact O-N 3.23Å |
| 14 | E | 93.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -43.9 | -52.7 | -178.9 | 175 | -166.3 | 174.1 | 0 | 0 | 112.2 | G10 Q16 W17 T18 H35 F38 R42 | G10-E14 WeakPolarHBondContact O-CB 3.31Å; G10-E14 PolarHBondContact O-N 3.18Å; E14-Q16 PolarHBondContact O-N 3.41Å; E14-W17 PolarHBondContact O-N 3.23Å; E14-W17 VanDerWaalsContact O-N 3.16Å; E14-T18 HydrophobicContact CG-CG2 4.27Å; E14-T18 WeakPolarHBondContact O-CG2 3.46Å; E14-T18 PolarHBondContact O-N 3.36Å; E14-T18 PolarHBondContact O-OG1 3.48Å; E14-T18 VanDerWaalsContact O-OG1 3.04Å; E14-H35 WeakPolarHBondContact OE1-CA 3.37Å; E14-H35 IonicContact OE1-CE1 2.76Å; E14-H35 IonicContact OE1-CG 3.74Å; E14-H35 IonicContact OE1-ND1 3.42Å; E14-H35 PolarHBondContact OE1-ND1 3.41Å; E14-F38 HydrophobicContact CB-CD1 4.1Å; E14-F38 HydrophobicContact CB-CE1 4.28Å; E14-F38 HydrophobicContact CB-CG 4.4Å; E14-F38 VanDerWaalsContact CD-CB 3.41Å; E14-F38 HydrophobicContact CG-CB 4.08Å; E14-F38 HydrophobicContact CG-CD1 3.87Å; E14-F38 HydrophobicContact CG-CD2 3.83Å; E14-F38 HydrophobicContact CG-CE1 4.22Å; E14-F38 HydrophobicContact CG-CE2 4.19Å; E14-F38 HydrophobicContact CG-CG 3.67Å; E14-F38 HydrophobicContact CG-CZ 4.38Å; E14-F38 WeakPolarHBondContact OE1-CB 3.41Å; E14-R42 IonicContact OE2-CZ 2.7Å; E14-R42 IonicContact OE2-NH1 2.83Å; E14-R42 PolarHBondContact OE2-NH1 3.39Å; E14-R42 IonicContact OE2-NH2 2.99Å; E14-R42 PolarHBondContact OE2-NH2 3.5Å |
| 15 | K | 92.4 | Very high | 92.9 | Very high | 147 Ų | 147 | 57.8 Ų | 57.8 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | -176.3 | -172.6 | -178 | 176.3 | -167.5 | 0 | 111.3 | N13 W17 T18 E19 | N13-K15 VanDerWaalsContact C-N 3.27Å; N13-K15 PolarHBondContact O-N 2.62Å; N13-K15 VanDerWaalsContact O-N 3.14Å; K15-W17 VanDerWaalsContact C-N 3.33Å; K15-W17 PolarHBondContact O-N 3.09Å; K15-T18 PolarHBondContact O-N 3.02Å; K15-T18 PolarHBondContact O-OG1 2.81Å; K15-E19 WeakPolarHBondContact CE-OE1 3.44Å; K15-E19 VanDerWaalsContact O-CG 3.29Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.38Å |
| 16 | Q | 93.1 | Very high | 93 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 177.5 | 178.4 | -178.2 | -22.2 | 0 | 0 | 111.3 | N13 E14 E19 | N13-Q16 WeakPolarHBondContact O-CB 3.43Å; N13-Q16 PolarHBondContact O-N 2.99Å; E14-Q16 PolarHBondContact O-N 3.41Å; Q16-E19 PolarHBondContact O-N 3.46Å |
| 17 | W | 93.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 179.2 | -63.5 | -17.5 | 0 | 0 | 0 | 112.6 | N13 E14 K15 E19 E20 F38 L82 Y85 L114 F117 | N13-W17 HydrophobicContact CB-CD2 3.98Å; N13-W17 VanDerWaalsContact CB-CE2 3.43Å; N13-W17 HydrophobicContact CB-CG 4.38Å; N13-W17 HydrophobicContact CB-CH2 4.39Å; N13-W17 HydrophobicContact CB-CZ2 3.66Å; N13-W17 PolarHBondContact O-N 3.23Å; E14-W17 PolarHBondContact O-N 3.23Å; E14-W17 VanDerWaalsContact O-N 3.16Å; K15-W17 VanDerWaalsContact C-N 3.33Å; K15-W17 PolarHBondContact O-N 3.09Å; W17-E19 VanDerWaalsContact C-N 3.32Å; W17-E20 PolarHBondContact O-N 3.46Å; W17-F38 HydrophobicContact CE3-CE1 4.33Å; W17-F38 HydrophobicContact CE3-CZ 4.26Å; W17-F38 HydrophobicContact CZ3-CE1 4.34Å; W17-L82 HydrophobicContact CB-CD1 4.41Å; W17-L82 HydrophobicContact CB-CD2 3.58Å; W17-L82 HydrophobicContact CD2-CD2 4.21Å; W17-L82 HydrophobicContact CE3-CD2 3.78Å; W17-L82 HydrophobicContact CG-CD2 4.19Å; W17-Y85 HydrophobicContact CH2-CE1 4.34Å; W17-Y85 HydrophobicContact CH2-CE2 4.25Å; W17-Y85 AromaticContact CZ3-CD1 3.94Å; W17-Y85 HydrophobicContact CZ3-CD1 3.94Å; W17-Y85 AromaticContact CZ3-CE1 3.7Å; W17-Y85 HydrophobicContact CZ3-CE1 3.7Å; W17-Y85 HydrophobicContact CZ3-CE2 4.3Å; W17-Y85 HydrophobicContact CZ3-CG 4.38Å; W17-Y85 AromaticContact CZ3-CZ 3.86Å; W17-L114 HydrophobicContact CB-CD1 3.98Å; W17-L114 HydrophobicContact CG-CD1 4.19Å; W17-F117 HydrophobicContact CD2-CG 4.48Å; W17-F117 AromaticContact CE2-CD2 3.93Å; W17-F117 AromaticContact CE2-CG 3.78Å; W17-F117 AromaticContact CH2-CD2 3.76Å; W17-F117 HydrophobicContact CH2-CD2 3.76Å; W17-F117 AromaticContact CH2-CE2 3.65Å; W17-F117 HydrophobicContact CH2-CE2 3.65Å; W17-F117 HydrophobicContact CH2-CG 4.31Å; W17-F117 HydrophobicContact CH2-CZ 4.11Å; W17-F117 HydrophobicContact CZ2-CB 4.18Å; W17-F117 HydrophobicContact CZ2-CD1 4.4Å; W17-F117 AromaticContact CZ2-CD2 3.34Å; W17-F117 HydrophobicContact CZ2-CD2 3.34Å; W17-F117 AromaticContact CZ2-CE2 3.77Å; W17-F117 HydrophobicContact CZ2-CE2 3.77Å; W17-F117 AromaticContact CZ2-CG 3.71Å; W17-F117 HydrophobicContact CZ2-CG 3.71Å; W17-F117 HydrophobicContact CZ2-CZ 4.44Å; W17-F117 HydrophobicContact CZ3-CE2 4.38Å; W17-F117 HydrophobicContact CZ3-CZ 4.41Å; W17-F117 AromaticContact NE1-CG 3.97Å |
| 18 | T | 93.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.6 | -23.9 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | E14 K15 E20 L21 L34 H35 L82 | E14-T18 HydrophobicContact CG-CG2 4.27Å; E14-T18 WeakPolarHBondContact O-CG2 3.46Å; E14-T18 PolarHBondContact O-N 3.36Å; E14-T18 PolarHBondContact O-OG1 3.48Å; E14-T18 VanDerWaalsContact O-OG1 3.04Å; K15-T18 PolarHBondContact O-N 3.02Å; K15-T18 PolarHBondContact O-OG1 2.81Å; T18-E20 PolarHBondContact O-N 3.41Å; T18-L21 WeakPolarHBondContact O-CB 3.46Å; T18-L21 PolarHBondContact O-N 3.37Å; T18-L34 HydrophobicContact CG2-CD2 3.81Å; T18-L34 HydrophobicContact CG2-CG 4.47Å; T18-H35 PolarHBondContact OG1-CE1 2.94Å; T18-H35 VanDerWaalsContact OG1-CE1 3.24Å; T18-L82 HydrophobicContact CG2-CD1 4.5Å |
| 19 | E | 94 | Very high | 93.4 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.4 | 175.2 | -79.5 | 171.6 | -178.7 | 0 | 0 | 112.9 | K15 Q16 W17 L21 | K15-E19 WeakPolarHBondContact CE-OE1 3.44Å; K15-E19 VanDerWaalsContact O-CG 3.29Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.38Å; Q16-E19 PolarHBondContact O-N 3.46Å; W17-E19 VanDerWaalsContact C-N 3.32Å; E19-L21 VanDerWaalsContact C-N 3.28Å |
| 20 | E | 92.8 | Very high | 93.7 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -16.9 | 172.8 | -66.2 | -171.1 | -131.1 | 0 | 0 | 113.3 | W17 T18 D22 L114 R115 | W17-E20 PolarHBondContact O-N 3.46Å; T18-E20 PolarHBondContact O-N 3.41Å; E20-D22 PolarHBondContact O-N 2.77Å; E20-L114 HydrophobicContact CB-CD2 3.88Å; E20-L114 HydrophobicContact CG-CD2 4.27Å; E20-R115 WeakPolarHBondContact OE1-CB 3.37Å; E20-R115 PolarHBondContact OE1-N 2.96Å; E20-R115 PolarHBondContact OE2-N 3.2Å |
| 21 | L | 94.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -80.7 | 113.8 | 177.5 | -56.2 | 179.3 | 0 | 0 | 0 | 109.9 | T18 E19 P23 I31 L34 C75 Q78 L79 L82 | T18-L21 WeakPolarHBondContact O-CB 3.46Å; T18-L21 PolarHBondContact O-N 3.37Å; E19-L21 VanDerWaalsContact C-N 3.28Å; L21-P23 WeakPolarHBondContact O-CD 3.34Å; L21-I31 HydrophobicContact CB-CD1 4.12Å; L21-I31 HydrophobicContact CD1-CG1 4.34Å; L21-L34 HydrophobicContact CD1-CD2 3.87Å; L21-C75 WeakPolarHBondContact CD2-O 3.27Å; L21-Q78 HydrophobicContact CD2-CB 3.67Å; L21-L79 HydrophobicContact CD1-CD1 4.12Å; L21-L79 HydrophobicContact CD2-CB 4.27Å; L21-L82 HydrophobicContact CD1-CD1 4.05Å; L21-L82 HydrophobicContact CD2-CD1 4.41Å; L21-L82 HydrophobicContact CG-CD1 4.28Å |
| 22 | D | 94.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | -65.4 | 116 | 174.9 | -176.6 | -7.7 | 0 | 0 | 0 | 110.6 | E20 A24 V25 V26 C75 | E20-D22 PolarHBondContact O-N 2.77Å; D22-A24 PolarHBondContact O-N 2.8Å; D22-A24 VanDerWaalsContact O-N 3.14Å; D22-A24 VanDerWaalsContact OD1-CB 3.28Å; D22-A24 WeakPolarHBondContact OD1-CB 3.29Å; D22-A24 PolarHBondContact OD1-N 3.45Å; D22-V25 HydrophobicContact CB-CB 4.4Å; D22-V25 HydrophobicContact CB-CG2 4.12Å; D22-V25 PolarHBondContact O-N 2.87Å; D22-V26 PolarHBondContact O-N 3.14Å; D22-C75 PolarHBondContact N-SG 3.33Å | ||
| 23 | P | 92.7 | Very high | 94.7 | Very high | 45 Ų | 45 | 57 Ų | 57 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.9 | 179.7 | -21.6 | 34.5 | 0 | 0 | 0 | 114.5 | L21 V25 V26 Y28 I31 | L21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-V25 VanDerWaalsContact C-N 3.3Å; P23-V26 WeakPolarHBondContact CA-O 3.45Å; P23-Y28 HydrophobicContact CB-CD1 4.2Å; P23-Y28 HydrophobicContact CB-CD2 3.95Å; P23-Y28 HydrophobicContact CB-CE1 3.81Å; P23-Y28 HydrophobicContact CB-CE2 3.52Å; P23-Y28 HydrophobicContact CB-CG 4.26Å; P23-Y28 VanDerWaalsContact CB-CZ 3.44Å; P23-Y28 HydrophobicContact CG-CE1 3.96Å; P23-Y28 HydrophobicContact CG-CE2 4.41Å; P23-I31 HydrophobicContact CB-CD1 4.36Å; P23-I31 HydrophobicContact CG-CD1 4.25Å |
| 24 | A | 93.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -25.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D22 | D22-A24 PolarHBondContact O-N 2.8Å; D22-A24 VanDerWaalsContact O-N 3.14Å; D22-A24 VanDerWaalsContact OD1-CB 3.28Å; D22-A24 WeakPolarHBondContact OD1-CB 3.29Å; D22-A24 PolarHBondContact OD1-N 3.45Å |
| 25 | V | 94.8 | Very high | 95.1 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -56.7 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | D22 P23 N73 C75 W76 | D22-V25 HydrophobicContact CB-CB 4.4Å; D22-V25 HydrophobicContact CB-CG2 4.12Å; D22-V25 PolarHBondContact O-N 2.87Å; P23-V25 VanDerWaalsContact C-N 3.3Å; V25-N73 HydrophobicContact CG1-CB 3.93Å; V25-C75 HydrophobicContact CB-CB 4.13Å; V25-C75 HydrophobicContact CG1-CB 3.94Å; V25-W76 WeakPolarHBondContact O-CZ2 3.43Å |
| 26 | V | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -99.7 | 98.6 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | D22 P23 V30 I31 C75 W76 L79 | D22-V26 PolarHBondContact O-N 3.14Å; P23-V26 WeakPolarHBondContact CA-O 3.45Å; V26-V30 HydrophobicContact CG1-CB 3.95Å; V26-V30 HydrophobicContact CG1-CG1 3.82Å; V26-I31 HydrophobicContact CB-CG1 4.48Å; V26-I31 HydrophobicContact CG1-CG1 3.93Å; V26-I31 VanDerWaalsContact O-CD1 3.3Å; V26-I31 WeakPolarHBondContact O-CD1 3.49Å; V26-C75 HydrophobicContact CG2-CB 3.81Å; V26-W76 HydrophobicContact CB-CH2 4.47Å; V26-W76 HydrophobicContact CB-CZ3 4.48Å; V26-W76 HydrophobicContact CG1-CH2 4.36Å; V26-W76 HydrophobicContact CG1-CZ3 4.11Å; V26-W76 HydrophobicContact CG2-CD2 4Å; V26-W76 HydrophobicContact CG2-CE3 3.92Å; V26-W76 HydrophobicContact CG2-CH2 4.26Å; V26-W76 HydrophobicContact CG2-CZ2 4.35Å; V26-W76 HydrophobicContact CG2-CZ3 4.05Å; V26-L79 HydrophobicContact CG1-CD2 4.04Å |
| 27 | S | 94.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | -53.1 | 145.3 | -171.2 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | W29 V30 I31 | S27-W29 VanDerWaalsContact CB-CD1 3.46Å; S27-W29 PolarHBondContact O-N 2.98Å; S27-V30 WeakPolarHBondContact O-CA 3.4Å; S27-V30 WeakPolarHBondContact O-CB 3.49Å; S27-V30 PolarHBondContact O-N 2.88Å; S27-I31 PolarHBondContact O-N 2.96Å | ||
| 28 | Y | 95.1 | Very high | 95.9 | Very high | 178 Ų | 178 | 51.1 Ų | 51.1 | 70% | 0.698 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -46.4 | -36.8 | -179.1 | -80.5 | -75.5 | 0 | 0 | 0 | 115.5 | P23 I31 S32 | P23-Y28 HydrophobicContact CB-CD1 4.2Å; P23-Y28 HydrophobicContact CB-CD2 3.95Å; P23-Y28 HydrophobicContact CB-CE1 3.81Å; P23-Y28 HydrophobicContact CB-CE2 3.52Å; P23-Y28 HydrophobicContact CB-CG 4.26Å; P23-Y28 VanDerWaalsContact CB-CZ 3.44Å; P23-Y28 HydrophobicContact CG-CE1 3.96Å; P23-Y28 HydrophobicContact CG-CE2 4.41Å; Y28-I31 PolarHBondContact O-N 3.42Å; Y28-S32 WeakPolarHBondContact O-CB 3.26Å; Y28-S32 PolarHBondContact O-N 3.43Å |
| 29 | W | 96.6 | Very high | 96.1 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 54% | 0.538 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 179.4 | 73.7 | -89.1 | 0 | 0 | 0 | 112.1 | S27 S32 V33 F55 I59 | S27-W29 VanDerWaalsContact CB-CD1 3.46Å; S27-W29 PolarHBondContact O-N 2.98Å; W29-S32 WeakPolarHBondContact O-CB 3.41Å; W29-S32 PolarHBondContact O-N 3.22Å; W29-V33 HydrophobicContact CE3-CG2 4.34Å; W29-V33 VanDerWaalsContact O-CG2 3.28Å; W29-V33 WeakPolarHBondContact O-CG2 3.48Å; W29-V33 PolarHBondContact O-N 3.45Å; W29-F55 HydrophobicContact CH2-CE1 4.28Å; W29-F55 AromaticContact CH2-CZ 3.96Å; W29-F55 HydrophobicContact CH2-CZ 3.96Å; W29-F55 AromaticContact CZ3-CE1 3.75Å; W29-F55 HydrophobicContact CZ3-CE1 3.75Å; W29-F55 AromaticContact CZ3-CZ 3.68Å; W29-F55 HydrophobicContact CZ3-CZ 3.68Å; W29-I59 HydrophobicContact CH2-CD1 3.71Å; W29-I59 HydrophobicContact CZ3-CD1 4.24Å |
| 30 | V | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | V26 S27 S32 V33 L34 L56 L79 | V26-V30 HydrophobicContact CG1-CB 3.95Å; V26-V30 HydrophobicContact CG1-CG1 3.82Å; S27-V30 WeakPolarHBondContact O-CA 3.4Å; S27-V30 WeakPolarHBondContact O-CB 3.49Å; S27-V30 PolarHBondContact O-N 2.88Å; V30-S32 VanDerWaalsContact C-N 3.29Å; V30-S32 PolarHBondContact O-N 3.44Å; V30-V33 PolarHBondContact O-N 3.48Å; V30-V33 VanDerWaalsContact O-N 3.11Å; V30-L34 PolarHBondContact O-N 2.83Å; V30-L56 HydrophobicContact CG1-CD2 3.73Å; V30-L79 HydrophobicContact CG1-CD1 4.44Å; V30-L79 HydrophobicContact CG1-CD2 3.78Å |
| 31 | I | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.9 | -58.2 | 177.6 | 0 | 0 | 0 | 110.5 | L21 P23 V26 S27 Y28 V33 L34 H35 | L21-I31 HydrophobicContact CB-CD1 4.12Å; L21-I31 HydrophobicContact CD1-CG1 4.34Å; P23-I31 HydrophobicContact CB-CD1 4.36Å; P23-I31 HydrophobicContact CG-CD1 4.25Å; V26-I31 HydrophobicContact CB-CG1 4.48Å; V26-I31 HydrophobicContact CG1-CG1 3.93Å; V26-I31 VanDerWaalsContact O-CD1 3.3Å; V26-I31 WeakPolarHBondContact O-CD1 3.49Å; S27-I31 PolarHBondContact O-N 2.96Å; Y28-I31 PolarHBondContact O-N 3.42Å; I31-V33 VanDerWaalsContact C-N 3.33Å; I31-V33 PolarHBondContact O-N 3.22Å; I31-L34 WeakPolarHBondContact O-CB 3.33Å; I31-L34 PolarHBondContact O-N 2.98Å; I31-H35 PolarHBondContact O-CD2 3.42Å; I31-H35 PolarHBondContact O-N 3.39Å |
| 32 | S | 97.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 174.6 | -179 | 0 | 0 | 0 | 0 | 112.8 | Y28 W29 V30 H35 K36 | Y28-S32 WeakPolarHBondContact O-CB 3.26Å; Y28-S32 PolarHBondContact O-N 3.43Å; W29-S32 WeakPolarHBondContact O-CB 3.41Å; W29-S32 PolarHBondContact O-N 3.22Å; V30-S32 VanDerWaalsContact C-N 3.29Å; V30-S32 PolarHBondContact O-N 3.44Å; S32-H35 PolarHBondContact O-N 2.89Å; S32-K36 WeakPolarHBondContact O-CG 3.33Å; S32-K36 PolarHBondContact O-N 2.89Å; S32-K36 VanDerWaalsContact O-N 3.15Å |
| 33 | V | 98.2 | Very high | 96.7 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | W29 V30 I31 K36 A37 L52 F55 L56 | W29-V33 HydrophobicContact CE3-CG2 4.34Å; W29-V33 VanDerWaalsContact O-CG2 3.28Å; W29-V33 WeakPolarHBondContact O-CG2 3.48Å; W29-V33 PolarHBondContact O-N 3.45Å; V30-V33 PolarHBondContact O-N 3.48Å; V30-V33 VanDerWaalsContact O-N 3.11Å; I31-V33 VanDerWaalsContact C-N 3.33Å; I31-V33 PolarHBondContact O-N 3.22Å; V33-K36 WeakPolarHBondContact O-CB 3.13Å; V33-K36 PolarHBondContact O-N 3.03Å; V33-A37 PolarHBondContact O-N 3.43Å; V33-L52 HydrophobicContact CG1-CD2 3.98Å; V33-F55 HydrophobicContact CG1-CD1 3.91Å; V33-F55 HydrophobicContact CG1-CE1 4.16Å; V33-F55 HydrophobicContact CG2-CE1 4.49Å; V33-L56 HydrophobicContact CB-CD2 4.04Å; V33-L56 HydrophobicContact CG1-CD1 4.12Å; V33-L56 HydrophobicContact CG1-CD2 3.78Å; V33-L56 HydrophobicContact CG1-CG 3.9Å |
| 34 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 172.1 | 179.7 | 65.2 | 0 | 0 | 0 | 111.6 | T18 L21 V30 I31 K36 A37 F38 L56 L79 L82 V83 | T18-L34 HydrophobicContact CG2-CD2 3.81Å; T18-L34 HydrophobicContact CG2-CG 4.47Å; L21-L34 HydrophobicContact CD1-CD2 3.87Å; V30-L34 PolarHBondContact O-N 2.83Å; I31-L34 WeakPolarHBondContact O-CB 3.33Å; I31-L34 PolarHBondContact O-N 2.98Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.39Å; L34-A37 WeakPolarHBondContact O-CA 3.48Å; L34-A37 VanDerWaalsContact O-CB 3.28Å; L34-A37 WeakPolarHBondContact O-CB 3.47Å; L34-A37 PolarHBondContact O-N 3.17Å; L34-F38 HydrophobicContact CD1-CD2 4.07Å; L34-F38 HydrophobicContact CD1-CE2 3.75Å; L34-F38 HydrophobicContact CD2-CE2 4.36Å; L34-F38 HydrophobicContact CG-CD2 4.03Å; L34-F38 HydrophobicContact CG-CE2 3.86Å; L34-F38 WeakPolarHBondContact O-CD2 3.43Å; L34-F38 PolarHBondContact O-N 2.97Å; L34-L56 HydrophobicContact CB-CD1 4.1Å; L34-L56 HydrophobicContact CD1-CD1 4.02Å; L34-L79 HydrophobicContact CD2-CD1 3.87Å; L34-L82 HydrophobicContact CD1-CB 4.27Å; L34-L82 HydrophobicContact CD2-CB 4.1Å; L34-L82 HydrophobicContact CD2-CD1 4.02Å; L34-V83 HydrophobicContact CD1-CG2 3.8Å |
| 35 | H | 98 | Very high | 97.1 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 175 | -73.8 | -56 | 0 | 0 | 0 | 112.7 | E14 T18 I31 S32 A37 F38 E39 | E14-H35 WeakPolarHBondContact OE1-CA 3.37Å; E14-H35 IonicContact OE1-CE1 2.76Å; E14-H35 IonicContact OE1-CG 3.74Å; E14-H35 IonicContact OE1-ND1 3.42Å; E14-H35 PolarHBondContact OE1-ND1 3.41Å; T18-H35 PolarHBondContact OG1-CE1 2.94Å; T18-H35 VanDerWaalsContact OG1-CE1 3.24Å; I31-H35 PolarHBondContact O-CD2 3.42Å; I31-H35 PolarHBondContact O-N 3.39Å; S32-H35 PolarHBondContact O-N 2.89Å; H35-A37 VanDerWaalsContact C-N 3.27Å; H35-A37 PolarHBondContact O-N 3.16Å; H35-F38 PolarHBondContact O-N 3.47Å; H35-E39 WeakPolarHBondContact O-CB 3.31Å; H35-E39 PolarHBondContact O-N 3.4Å |
| 36 | K | 98.2 | Very high | 97.2 | Very high | 113 Ų | 113 | 58 Ų | 58 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 174.3 | -69.5 | 175.4 | -176.1 | 179.2 | 0 | 112.4 | S32 V33 L34 E39 A40 L52 | S32-K36 WeakPolarHBondContact O-CG 3.33Å; S32-K36 PolarHBondContact O-N 2.89Å; S32-K36 VanDerWaalsContact O-N 3.15Å; V33-K36 WeakPolarHBondContact O-CB 3.13Å; V33-K36 PolarHBondContact O-N 3.03Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.39Å; K36-E39 PolarHBondContact O-N 2.99Å; K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 3.43Å; K36-L52 HydrophobicContact CB-CD1 3.87Å |
| 37 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V33 L34 H35 A40 L41 L52 L56 V86 | V33-A37 PolarHBondContact O-N 3.43Å; L34-A37 WeakPolarHBondContact O-CA 3.48Å; L34-A37 VanDerWaalsContact O-CB 3.28Å; L34-A37 WeakPolarHBondContact O-CB 3.47Å; L34-A37 PolarHBondContact O-N 3.17Å; H35-A37 VanDerWaalsContact C-N 3.27Å; H35-A37 PolarHBondContact O-N 3.16Å; A37-A40 PolarHBondContact O-N 2.95Å; A37-L41 WeakPolarHBondContact O-CB 3.27Å; A37-L41 PolarHBondContact O-N 3.37Å; A37-L52 HydrophobicContact CB-CB 3.84Å; A37-L52 HydrophobicContact CB-CD1 4.2Å; A37-L56 HydrophobicContact CB-CD1 4.33Å; A37-V86 HydrophobicContact CB-CG1 4.2Å |
| 38 | F | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 172.3 | -84.2 | -84.8 | 0 | 0 | 0 | 112.2 | E14 W17 L34 H35 L41 R42 L82 Y85 V86 | E14-F38 HydrophobicContact CB-CD1 4.1Å; E14-F38 HydrophobicContact CB-CE1 4.28Å; E14-F38 HydrophobicContact CB-CG 4.4Å; E14-F38 VanDerWaalsContact CD-CB 3.41Å; E14-F38 HydrophobicContact CG-CB 4.08Å; E14-F38 HydrophobicContact CG-CD1 3.87Å; E14-F38 HydrophobicContact CG-CD2 3.83Å; E14-F38 HydrophobicContact CG-CE1 4.22Å; E14-F38 HydrophobicContact CG-CE2 4.19Å; E14-F38 HydrophobicContact CG-CG 3.67Å; E14-F38 HydrophobicContact CG-CZ 4.38Å; E14-F38 WeakPolarHBondContact OE1-CB 3.41Å; W17-F38 HydrophobicContact CE3-CE1 4.33Å; W17-F38 HydrophobicContact CE3-CZ 4.26Å; W17-F38 HydrophobicContact CZ3-CE1 4.34Å; L34-F38 HydrophobicContact CD1-CD2 4.07Å; L34-F38 HydrophobicContact CD1-CE2 3.75Å; L34-F38 HydrophobicContact CD2-CE2 4.36Å; L34-F38 HydrophobicContact CG-CD2 4.03Å; L34-F38 HydrophobicContact CG-CE2 3.86Å; L34-F38 WeakPolarHBondContact O-CD2 3.43Å; L34-F38 PolarHBondContact O-N 2.97Å; H35-F38 PolarHBondContact O-N 3.47Å; F38-L41 PolarHBondContact O-N 2.91Å; F38-R42 WeakPolarHBondContact O-CG 3.42Å; F38-R42 PolarHBondContact O-N 2.9Å; F38-L82 HydrophobicContact CE2-CD2 4.47Å; F38-L82 HydrophobicContact CZ-CD2 4Å; F38-Y85 AromaticContact CE1-CD1 3.84Å; F38-Y85 HydrophobicContact CE1-CD1 3.84Å; F38-Y85 AromaticContact CE1-CE1 3.78Å; F38-Y85 HydrophobicContact CE1-CE1 3.78Å; F38-Y85 HydrophobicContact CZ-CD1 4.08Å; F38-Y85 HydrophobicContact CZ-CE1 4.46Å; F38-V86 HydrophobicContact CD1-CG2 3.84Å; F38-V86 HydrophobicContact CD2-CG2 3.79Å; F38-V86 HydrophobicContact CE1-CG2 3.67Å; F38-V86 HydrophobicContact CE2-CG2 3.61Å; F38-V86 HydrophobicContact CG-CG2 3.9Å; F38-V86 HydrophobicContact CZ-CG2 3.54Å |
| 39 | E | 97.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 175.9 | -172.9 | -178.8 | -176.3 | 0 | 0 | 112.1 | H35 K36 L41 R42 S43 | H35-E39 WeakPolarHBondContact O-CB 3.31Å; H35-E39 PolarHBondContact O-N 3.4Å; K36-E39 PolarHBondContact O-N 2.99Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.47Å; E39-R42 PolarHBondContact O-N 2.69Å; E39-S43 PolarHBondContact O-N 3.1Å; E39-S43 PolarHBondContact O-OG 3.24Å |
| 40 | A | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K36 A37 S43 K44 D45 T48 T49 | K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 3.43Å; A37-A40 PolarHBondContact O-N 2.95Å; A40-S43 WeakPolarHBondContact CA-OG 3.41Å; A40-S43 PolarHBondContact O-N 3.19Å; A40-S43 PolarHBondContact O-OG 3.48Å; A40-S43 VanDerWaalsContact O-OG 3.07Å; A40-K44 PolarHBondContact O-N 3.27Å; A40-K44 VanDerWaalsContact O-N 3.13Å; A40-D45 HydrophobicContact CB-CB 4.45Å; A40-D45 PolarHBondContact O-N 3.26Å; A40-T48 HydrophobicContact CB-CG2 3.9Å; A40-T49 VanDerWaalsContact C-OG1 3.24Å; A40-T49 WeakPolarHBondContact CB-OG1 3.14Å |
| 41 | L | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175 | 176.9 | 66.1 | 0 | 0 | 0 | 111.3 | L7 A37 F38 E39 S43 K44 Y46 T49 V86 M89 | L7-L41 HydrophobicContact CD2-CD1 3.99Å; L7-L41 HydrophobicContact CD2-CD2 4.08Å; L7-L41 HydrophobicContact CD2-CG 4.03Å; A37-L41 WeakPolarHBondContact O-CB 3.27Å; A37-L41 PolarHBondContact O-N 3.37Å; F38-L41 PolarHBondContact O-N 2.91Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.47Å; L41-S43 PolarHBondContact O-N 3.15Å; L41-K44 PolarHBondContact O-N 3.34Å; L41-K44 VanDerWaalsContact O-N 3.13Å; L41-Y46 HydrophobicContact CD1-CE1 4.22Å; L41-T49 WeakPolarHBondContact CA-OG1 3.4Å; L41-T49 HydrophobicContact CB-CG2 4.13Å; L41-T49 HydrophobicContact CD1-CG2 4.46Å; L41-T49 PolarHBondContact N-OG1 3.25Å; L41-T49 VanDerWaalsContact N-OG1 3.16Å; L41-V86 HydrophobicContact CB-CG1 4.15Å; L41-V86 HydrophobicContact CD2-CB 4.47Å; L41-V86 HydrophobicContact CD2-CG1 4.05Å; L41-M89 HydrophobicContact CD1-CB 4.06Å; L41-M89 HydrophobicContact CD2-CB 3.76Å; L41-M89 HydrophobicContact CD2-CG 4.33Å |
| 42 | R | 95.8 | Very high | 97.9 | Very high | 96 Ų | 96 | 59 Ų | 59 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.9 | -75.7 | -169.5 | -63 | -87.5 | 5.2 | 112.9 | Q11 E14 F38 E39 K44 | Q11-R42 HydrophobicContact CB-CG 4.41Å; E14-R42 IonicContact OE2-CZ 2.7Å; E14-R42 IonicContact OE2-NH1 2.83Å; E14-R42 PolarHBondContact OE2-NH1 3.39Å; E14-R42 IonicContact OE2-NH2 2.99Å; E14-R42 PolarHBondContact OE2-NH2 3.5Å; F38-R42 WeakPolarHBondContact O-CG 3.42Å; F38-R42 PolarHBondContact O-N 2.9Å; E39-R42 PolarHBondContact O-N 2.69Å; R42-K44 PolarHBondContact O-N 3.45Å |
| 43 | S | 96.6 | Very high | 97.9 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.3 | 178 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | E39 A40 L41 D45 | E39-S43 PolarHBondContact O-N 3.1Å; E39-S43 PolarHBondContact O-OG 3.24Å; A40-S43 WeakPolarHBondContact CA-OG 3.41Å; A40-S43 PolarHBondContact O-N 3.19Å; A40-S43 PolarHBondContact O-OG 3.48Å; A40-S43 VanDerWaalsContact O-OG 3.07Å; L41-S43 PolarHBondContact O-N 3.15Å; S43-D45 PolarHBondContact O-N 2.87Å |
| 44 | K | 96.7 | Very high | 97.9 | Very high | 135 Ų | 135 | 61.1 Ų | 61.1 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 25.3 | -175.7 | -52.4 | -177.1 | 178.2 | -177.9 | 0 | 113.5 | A40 L41 R42 Y46 | A40-K44 PolarHBondContact O-N 3.27Å; A40-K44 VanDerWaalsContact O-N 3.13Å; L41-K44 PolarHBondContact O-N 3.34Å; L41-K44 VanDerWaalsContact O-N 3.13Å; R42-K44 PolarHBondContact O-N 3.45Å; K44-Y46 HydrophobicContact CB-CE1 4.14Å; K44-Y46 HydrophobicContact CB-CE2 4.3Å; K44-Y46 PolarHBondContact O-N 3.48Å |
| 45 | D | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | trans | -82.2 | 71.6 | 169.9 | -176.2 | -0.1 | 0 | 0 | 0 | 110.3 | A40 S43 L47 T48 T49 | A40-D45 HydrophobicContact CB-CB 4.45Å; A40-D45 PolarHBondContact O-N 3.26Å; S43-D45 PolarHBondContact O-N 2.87Å; D45-L47 PolarHBondContact O-N 2.98Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 VanDerWaalsContact O-N 3.14Å; D45-T48 PolarHBondContact OD1-N 2.9Å; D45-T48 VanDerWaalsContact OD1-N 3.16Å; D45-T48 PolarHBondContact OD1-OG1 2.72Å; D45-T48 WeakPolarHBondContact OD2-CB 3.41Å; D45-T48 PolarHBondContact OD2-OG1 3.04Å; D45-T49 PolarHBondContact O-N 3.49Å; D45-T49 PolarHBondContact O-OG1 3.13Å | ||
| 46 | Y | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -24.8 | -173.5 | -56.6 | -41.2 | 0 | 0 | 0 | 113.8 | L41 K44 Q50 A93 V94 | L41-Y46 HydrophobicContact CD1-CE1 4.22Å; K44-Y46 HydrophobicContact CB-CE1 4.14Å; K44-Y46 HydrophobicContact CB-CE2 4.3Å; K44-Y46 PolarHBondContact O-N 3.48Å; Y46-Q50 VanDerWaalsContact O-CB 3.31Å; Y46-Q50 WeakPolarHBondContact O-CB 3.49Å; Y46-Q50 PolarHBondContact O-N 3.24Å; Y46-A93 HydrophobicContact CE1-CB 4.28Å; Y46-A93 HydrophobicContact CE2-CB 4.41Å; Y46-A93 WeakPolarHBondContact OH-CB 3.43Å; Y46-V94 HydrophobicContact CD2-CG1 3.44Å; Y46-V94 VanDerWaalsContact CD2-CG1 3.44Å; Y46-V94 HydrophobicContact CE2-CG1 3.9Å; Y46-V94 HydrophobicContact CG-CG1 4.03Å |
| 47 | L | 97.8 | Very high | 98 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.7 | -44.8 | 174.3 | -179.6 | 62.8 | 0 | 0 | 0 | 110.7 | D45 K51 | D45-L47 PolarHBondContact O-N 2.98Å; L47-K51 WeakPolarHBondContact O-CG 3.21Å; L47-K51 PolarHBondContact O-N 2.68Å |
| 48 | T | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.3 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | A40 D45 Q50 K51 L52 | A40-T48 HydrophobicContact CB-CG2 3.9Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 VanDerWaalsContact O-N 3.14Å; D45-T48 PolarHBondContact OD1-N 2.9Å; D45-T48 VanDerWaalsContact OD1-N 3.16Å; D45-T48 PolarHBondContact OD1-OG1 2.72Å; D45-T48 WeakPolarHBondContact OD2-CB 3.41Å; D45-T48 PolarHBondContact OD2-OG1 3.04Å; T48-Q50 VanDerWaalsContact C-N 3.33Å; T48-Q50 PolarHBondContact O-N 3.03Å; T48-K51 PolarHBondContact O-N 3.43Å; T48-L52 HydrophobicContact CG2-CD1 3.68Å; T48-L52 HydrophobicContact CG2-CG 4.14Å; T48-L52 VanDerWaalsContact O-CG 3.31Å; T48-L52 WeakPolarHBondContact O-CG 3.44Å; T48-L52 PolarHBondContact O-N 3.33Å |
| 49 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.3 | -48.6 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | A40 L41 D45 K51 L52 C53 V86 Y90 | A40-T49 VanDerWaalsContact C-OG1 3.24Å; A40-T49 WeakPolarHBondContact CB-OG1 3.14Å; L41-T49 WeakPolarHBondContact CA-OG1 3.4Å; L41-T49 HydrophobicContact CB-CG2 4.13Å; L41-T49 HydrophobicContact CD1-CG2 4.46Å; L41-T49 PolarHBondContact N-OG1 3.25Å; L41-T49 VanDerWaalsContact N-OG1 3.16Å; D45-T49 PolarHBondContact O-N 3.49Å; D45-T49 PolarHBondContact O-OG1 3.13Å; T49-K51 PolarHBondContact O-N 2.87Å; T49-L52 PolarHBondContact O-N 3.08Å; T49-C53 WeakPolarHBondContact O-CB 3.42Å; T49-C53 PolarHBondContact O-N 3.3Å; T49-C53 PolarHBondContact O-SG 3.23Å; T49-V86 HydrophobicContact CG2-CG1 3.51Å; T49-Y90 HydrophobicContact CG2-CD1 3.77Å; T49-Y90 HydrophobicContact CG2-CG 4.2Å |
| 50 | Q | 98.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 179.1 | -179.3 | -174.9 | 33.8 | 0 | 0 | 112 | Y46 T48 C53 K54 Y90 | Y46-Q50 VanDerWaalsContact O-CB 3.31Å; Y46-Q50 WeakPolarHBondContact O-CB 3.49Å; Y46-Q50 PolarHBondContact O-N 3.24Å; T48-Q50 VanDerWaalsContact C-N 3.33Å; T48-Q50 PolarHBondContact O-N 3.03Å; Q50-C53 PolarHBondContact O-N 3.48Å; Q50-K54 WeakPolarHBondContact O-CB 3.19Å; Q50-K54 PolarHBondContact O-N 2.95Å; Q50-Y90 HydrophobicContact CB-CE1 4.32Å; Q50-Y90 HydrophobicContact CB-CE2 4.39Å |
| 51 | K | 98.5 | Very high | 97.6 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | -179.3 | -72.1 | 174.4 | -177.1 | 175.4 | 0 | 111.8 | L47 T48 T49 F55 | L47-K51 WeakPolarHBondContact O-CG 3.21Å; L47-K51 PolarHBondContact O-N 2.68Å; T48-K51 PolarHBondContact O-N 3.43Å; T49-K51 PolarHBondContact O-N 2.87Å; K51-F55 WeakPolarHBondContact O-CB 3.47Å; K51-F55 PolarHBondContact O-N 3.47Å; K51-F55 VanDerWaalsContact O-N 3.07Å |
| 52 | L | 98.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 179.3 | -64.9 | 174.1 | 0 | 0 | 0 | 111.5 | V33 K36 A37 T48 T49 F55 L56 | V33-L52 HydrophobicContact CG1-CD2 3.98Å; K36-L52 HydrophobicContact CB-CD1 3.87Å; A37-L52 HydrophobicContact CB-CB 3.84Å; A37-L52 HydrophobicContact CB-CD1 4.2Å; T48-L52 HydrophobicContact CG2-CD1 3.68Å; T48-L52 HydrophobicContact CG2-CG 4.14Å; T48-L52 VanDerWaalsContact O-CG 3.31Å; T48-L52 WeakPolarHBondContact O-CG 3.44Å; T48-L52 PolarHBondContact O-N 3.33Å; T49-L52 PolarHBondContact O-N 3.08Å; L52-F55 PolarHBondContact O-N 3.49Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.25Å; L52-L56 PolarHBondContact O-N 2.75Å |
| 53 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 175.9 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | T49 Q50 F55 L56 L57 V83 V86 Q87 | T49-C53 WeakPolarHBondContact O-CB 3.42Å; T49-C53 PolarHBondContact O-N 3.3Å; T49-C53 PolarHBondContact O-SG 3.23Å; Q50-C53 PolarHBondContact O-N 3.48Å; C53-F55 VanDerWaalsContact C-N 3.33Å; C53-F55 PolarHBondContact O-N 3.45Å; C53-L56 PolarHBondContact O-N 3.27Å; C53-L57 WeakPolarHBondContact O-CB 3.38Å; C53-L57 VanDerWaalsContact O-CG 3.29Å; C53-L57 WeakPolarHBondContact O-CG 3.32Å; C53-L57 PolarHBondContact O-N 2.99Å; C53-V83 HydrophobicContact CB-CG1 3.95Å; C53-V83 WeakPolarHBondContact O-CG1 3.38Å; C53-V86 VanDerWaalsContact SG-CG1 3.55Å; C53-Q87 HydrophobicContact CB-CB 4.17Å |
| 54 | K | 98.2 | Very high | 97 | Very high | 121 Ų | 121 | 64.6 Ų | 64.6 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 177.3 | 174.8 | 166.1 | 172.4 | 40.8 | 0 | 111.4 | Q50 L56 L57 D58 | Q50-K54 WeakPolarHBondContact O-CB 3.19Å; Q50-K54 PolarHBondContact O-N 2.95Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 2.91Å; K54-L57 PolarHBondContact O-N 3.34Å; K54-D58 IonicContact NZ-OD1 3.53Å; K54-D58 PolarHBondContact NZ-OD1 3.01Å; K54-D58 IonicContact NZ-OD2 3.46Å; K54-D58 PolarHBondContact NZ-OD2 3.47Å; K54-D58 PolarHBondContact O-N 3.48Å |
| 55 | F | 98.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 179.1 | 175.1 | -100.8 | 0 | 0 | 0 | 112.7 | W29 V33 K51 L52 C53 D58 I59 | W29-F55 HydrophobicContact CH2-CE1 4.28Å; W29-F55 AromaticContact CH2-CZ 3.96Å; W29-F55 HydrophobicContact CH2-CZ 3.96Å; W29-F55 AromaticContact CZ3-CE1 3.75Å; W29-F55 HydrophobicContact CZ3-CE1 3.75Å; W29-F55 AromaticContact CZ3-CZ 3.68Å; W29-F55 HydrophobicContact CZ3-CZ 3.68Å; V33-F55 HydrophobicContact CG1-CD1 3.91Å; V33-F55 HydrophobicContact CG1-CE1 4.16Å; V33-F55 HydrophobicContact CG2-CE1 4.49Å; K51-F55 WeakPolarHBondContact O-CB 3.47Å; K51-F55 PolarHBondContact O-N 3.47Å; K51-F55 VanDerWaalsContact O-N 3.07Å; L52-F55 PolarHBondContact O-N 3.49Å; C53-F55 VanDerWaalsContact C-N 3.33Å; C53-F55 PolarHBondContact O-N 3.45Å; F55-D58 PolarHBondContact O-N 3.37Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CE1-CD1 3.42Å; F55-I59 VanDerWaalsContact CE1-CD1 3.42Å; F55-I59 HydrophobicContact CE2-CD1 4.23Å; F55-I59 HydrophobicContact CZ-CD1 3.58Å; F55-I59 WeakPolarHBondContact O-CG1 3.48Å; F55-I59 PolarHBondContact O-N 3.11Å |
| 56 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 179.1 | -69.8 | 167.1 | 0 | 0 | 0 | 112.7 | V30 V33 L34 A37 L52 C53 K54 I59 A60 V83 | V30-L56 HydrophobicContact CG1-CD2 3.73Å; V33-L56 HydrophobicContact CB-CD2 4.04Å; V33-L56 HydrophobicContact CG1-CD1 4.12Å; V33-L56 HydrophobicContact CG1-CD2 3.78Å; V33-L56 HydrophobicContact CG1-CG 3.9Å; L34-L56 HydrophobicContact CB-CD1 4.1Å; L34-L56 HydrophobicContact CD1-CD1 4.02Å; A37-L56 HydrophobicContact CB-CD1 4.33Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.25Å; L52-L56 PolarHBondContact O-N 2.75Å; C53-L56 PolarHBondContact O-N 3.27Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 2.91Å; L56-I59 PolarHBondContact O-N 3.11Å; L56-A60 PolarHBondContact O-N 2.92Å; L56-V83 HydrophobicContact CB-CB 4.41Å; L56-V83 HydrophobicContact CB-CG1 3.89Å; L56-V83 HydrophobicContact CB-CG2 3.58Å; L56-V83 HydrophobicContact CD1-CG2 3.87Å; L56-V83 HydrophobicContact CG-CG2 4.31Å |
| 57 | L | 97.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 175.1 | -69.5 | 173.5 | 0 | 0 | 0 | 111.6 | C53 K54 I59 A60 W61 V83 T84 | C53-L57 WeakPolarHBondContact O-CB 3.38Å; C53-L57 VanDerWaalsContact O-CG 3.29Å; C53-L57 WeakPolarHBondContact O-CG 3.32Å; C53-L57 PolarHBondContact O-N 2.99Å; K54-L57 PolarHBondContact O-N 3.34Å; L57-I59 VanDerWaalsContact C-N 3.31Å; L57-I59 PolarHBondContact O-N 2.61Å; L57-A60 PolarHBondContact O-N 3.32Å; L57-W61 VanDerWaalsContact O-CB 3.27Å; L57-W61 WeakPolarHBondContact O-CB 3.4Å; L57-W61 PolarHBondContact O-N 3.48Å; L57-V83 HydrophobicContact CD1-CG1 4.34Å; L57-V83 HydrophobicContact CD2-CB 3.96Å; L57-V83 HydrophobicContact CD2-CG1 3.71Å; L57-V83 HydrophobicContact CG-CB 4.38Å; L57-V83 HydrophobicContact CG-CG1 3.58Å; L57-T84 HydrophobicContact CD2-CG2 3.91Å |
| 58 | D | 97.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 65 Ų | 65 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.1 | -66.9 | -20 | 0 | 0 | 0 | 110.1 | K54 F55 W61 E62 | K54-D58 IonicContact NZ-OD1 3.53Å; K54-D58 PolarHBondContact NZ-OD1 3.01Å; K54-D58 IonicContact NZ-OD2 3.46Å; K54-D58 PolarHBondContact NZ-OD2 3.47Å; K54-D58 PolarHBondContact O-N 3.48Å; F55-D58 PolarHBondContact O-N 3.37Å; D58-W61 PolarHBondContact O-N 3.48Å; D58-E62 WeakPolarHBondContact O-CG 3.42Å; D58-E62 PolarHBondContact O-N 2.9Å |
| 59 | I | 96.5 | Very high | 94 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 173.9 | -67.7 | 168.5 | 0 | 0 | 0 | 111.8 | W29 F55 L56 L57 W61 E62 K63 W76 | W29-I59 HydrophobicContact CH2-CD1 3.71Å; W29-I59 HydrophobicContact CZ3-CD1 4.24Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CE1-CD1 3.42Å; F55-I59 VanDerWaalsContact CE1-CD1 3.42Å; F55-I59 HydrophobicContact CE2-CD1 4.23Å; F55-I59 HydrophobicContact CZ-CD1 3.58Å; F55-I59 WeakPolarHBondContact O-CG1 3.48Å; F55-I59 PolarHBondContact O-N 3.11Å; L56-I59 PolarHBondContact O-N 3.11Å; L57-I59 VanDerWaalsContact C-N 3.31Å; L57-I59 PolarHBondContact O-N 2.61Å; I59-W61 VanDerWaalsContact C-N 3.28Å; I59-W61 PolarHBondContact O-N 2.98Å; I59-E62 PolarHBondContact O-N 3.36Å; I59-K63 VanDerWaalsContact O-CG 3.29Å; I59-K63 WeakPolarHBondContact O-CG 3.26Å; I59-K63 PolarHBondContact O-N 3.35Å; I59-K63 VanDerWaalsContact O-N 3.08Å; I59-W76 HydrophobicContact CG2-CH2 4.28Å; I59-W76 HydrophobicContact CG2-CZ3 3.8Å |
| 60 | A | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | L56 L57 K63 F64 H80 | L56-A60 PolarHBondContact O-N 2.92Å; L57-A60 PolarHBondContact O-N 3.32Å; A60-K63 CarbonylContact O-C 3.34Å; A60-K63 WeakPolarHBondContact O-CB 3.35Å; A60-K63 PolarHBondContact O-N 2.8Å; A60-K63 VanDerWaalsContact O-N 3.15Å; A60-F64 HydrophobicContact CB-CZ 4.45Å; A60-F64 VanDerWaalsContact O-CD1 3.27Å; A60-F64 WeakPolarHBondContact O-CD1 3.46Å; A60-F64 VanDerWaalsContact O-CG 3.26Å; A60-F64 WeakPolarHBondContact O-CG 3.22Å; A60-F64 PolarHBondContact O-N 3.23Å; A60-H80 HydrophobicContact CB-CB 4.31Å |
| 61 | W | 94.3 | Very high | 92.5 | Very high | 142 Ų | 142 | 73.7 Ų | 73.7 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.5 | -178.5 | -101.5 | 0 | 0 | 0 | 112.4 | L57 D58 I59 K63 F64 N65 L110 | L57-W61 VanDerWaalsContact O-CB 3.27Å; L57-W61 WeakPolarHBondContact O-CB 3.4Å; L57-W61 PolarHBondContact O-N 3.48Å; D58-W61 PolarHBondContact O-N 3.48Å; I59-W61 VanDerWaalsContact C-N 3.28Å; I59-W61 PolarHBondContact O-N 2.98Å; W61-K63 PolarHBondContact O-N 3.46Å; W61-F64 HydrophobicContact CE3-CD2 4.41Å; W61-F64 PolarHBondContact O-N 2.94Å; W61-F64 VanDerWaalsContact O-N 3.17Å; W61-N65 PolarHBondContact O-N 3.17Å; W61-N65 PolarHBondContact O-ND2 2.73Å; W61-L110 HydrophobicContact CZ3-CD1 4.36Å |
| 62 | E | 94.4 | Very high | 92.1 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.8 | -40.6 | 174.2 | -74.6 | 175.7 | -170.4 | 0 | 0 | 111.3 | D58 I59 N65 I66 | D58-E62 WeakPolarHBondContact O-CG 3.42Å; D58-E62 PolarHBondContact O-N 2.9Å; I59-E62 PolarHBondContact O-N 3.36Å; E62-N65 PolarHBondContact O-N 3.42Å; E62-I66 VanDerWaalsContact O-CG2 3.27Å; E62-I66 WeakPolarHBondContact O-CG2 3.34Å |
| 63 | K | 93.5 | Very high | 91.9 | Very high | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.1 | -27.1 | 179.2 | -65.2 | -66.9 | 178.2 | -168.8 | 0 | 114 | I59 A60 W61 N65 I66 W76 | I59-K63 VanDerWaalsContact O-CG 3.29Å; I59-K63 WeakPolarHBondContact O-CG 3.26Å; I59-K63 PolarHBondContact O-N 3.35Å; I59-K63 VanDerWaalsContact O-N 3.08Å; A60-K63 CarbonylContact O-C 3.34Å; A60-K63 WeakPolarHBondContact O-CB 3.35Å; A60-K63 PolarHBondContact O-N 2.8Å; A60-K63 VanDerWaalsContact O-N 3.15Å; W61-K63 PolarHBondContact O-N 3.46Å; K63-N65 VanDerWaalsContact C-N 3.27Å; K63-I66 WeakPolarHBondContact O-CG1 3.33Å; K63-W76 HydrophobicContact CB-CB 4.4Å; K63-W76 HydrophobicContact CB-CD2 3.67Å; K63-W76 HydrophobicContact CB-CE3 4.08Å; K63-W76 HydrophobicContact CB-CG 3.79Å; K63-W76 HydrophobicContact CD-CD2 4.41Å; K63-W76 HydrophobicContact CD-CH2 4.29Å; K63-W76 HydrophobicContact CD-CZ2 3.77Å; K63-W76 HydrophobicContact CG-CD2 3.67Å; K63-W76 HydrophobicContact CG-CE3 3.84Å; K63-W76 HydrophobicContact CG-CG 4.32Å; K63-W76 HydrophobicContact CG-CH2 3.92Å; K63-W76 HydrophobicContact CG-CZ2 3.73Å; K63-W76 HydrophobicContact CG-CZ3 3.96Å |
| 64 | F | 91.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 74 Ų | 74 | 1% | 0.013 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.1 | -25.8 | 172.8 | -64.3 | -12.5 | 0 | 0 | 0 | 112.7 | A60 W61 V72 W76 R77 H80 L110 | A60-F64 HydrophobicContact CB-CZ 4.45Å; A60-F64 VanDerWaalsContact O-CD1 3.27Å; A60-F64 WeakPolarHBondContact O-CD1 3.46Å; A60-F64 VanDerWaalsContact O-CG 3.26Å; A60-F64 WeakPolarHBondContact O-CG 3.22Å; A60-F64 PolarHBondContact O-N 3.23Å; W61-F64 HydrophobicContact CE3-CD2 4.41Å; W61-F64 PolarHBondContact O-N 2.94Å; W61-F64 VanDerWaalsContact O-N 3.17Å; F64-V72 HydrophobicContact CD1-CG1 3.5Å; F64-V72 VanDerWaalsContact CD1-CG1 3.5Å; F64-V72 HydrophobicContact CE1-CG1 3.96Å; F64-V72 HydrophobicContact CG-CG1 4.45Å; F64-V72 WeakPolarHBondContact O-CG2 3.42Å; F64-W76 HydrophobicContact CD1-CB 4.22Å; F64-W76 HydrophobicContact CE1-CB 3.73Å; F64-R77 HydrophobicContact CE1-CB 4.47Å; F64-R77 HydrophobicContact CE1-CG 3.74Å; F64-R77 HydrophobicContact CZ-CB 4.48Å; F64-R77 HydrophobicContact CZ-CG 3.99Å; F64-H80 HydrophobicContact CE2-CB 4.17Å; F64-H80 AromaticContact CE2-CD2 3.8Å; F64-H80 HydrophobicContact CZ-CB 3.68Å; F64-L110 HydrophobicContact CE2-CB 4.21Å |
| 65 | N | 89.1 | Confident | 91.5 | Very high | 99 Ų | 99 | 68.8 Ų | 68.8 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 19.3 | -171.3 | -69.3 | -83.6 | 0 | 0 | 0 | 113.5 | W61 E62 K63 | W61-N65 PolarHBondContact O-N 3.17Å; W61-N65 PolarHBondContact O-ND2 2.73Å; E62-N65 PolarHBondContact O-N 3.42Å; K63-N65 VanDerWaalsContact C-N 3.27Å |
| 66 | I | 87.1 | Confident | 91.4 | Very high | 129 Ų | 129 | 65.4 Ų | 65.4 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -83.9 | -11.7 | 177.2 | 66.2 | -179.1 | 0 | 0 | 0 | 114.2 | E62 K63 | E62-I66 VanDerWaalsContact O-CG2 3.27Å; E62-I66 WeakPolarHBondContact O-CG2 3.34Å; K63-I66 WeakPolarHBondContact O-CG1 3.33Å |
| 67 | G | 84.3 | Confident | 91.3 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -171.4 | -159.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 68 | H | 82.5 | Confident | 91.2 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 43% | 0.431 | 34% | 0.335 | S | S | . | . | trans | -69.5 | 144.6 | 176.2 | -167 | -95.5 | 0 | 0 | 0 | 110.5 | S70 E71 | H68-S70 PolarHBondContact ND1-N 2.9Å; H68-S70 PolarHBondContact ND1-OG 3.17Å; H68-S70 PolarHBondContact O-N 3.31Å; H68-E71 HydrophobicContact CB-CG 4.19Å; H68-E71 WeakPolarHBondContact O-CB 3.37Å; H68-E71 PolarHBondContact O-N 2.67Å | ||
| 69 | W | 81.6 | Confident | 91.2 | Very high | 118 Ų | 118 | 64.5 Ų | 64.5 | 45% | 0.447 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -64.6 | -29.2 | -172.2 | -149.9 | 72.3 | 0 | 0 | 0 | 113.1 | E71 V72 L110 | W69-E71 PolarHBondContact O-N 3.47Å; W69-V72 WeakPolarHBondContact O-CB 3.19Å; W69-V72 WeakPolarHBondContact O-CG2 3.41Å; W69-V72 PolarHBondContact O-N 2.91Å; W69-L110 HydrophobicContact CZ2-CD2 4.45Å |
| 70 | S | 80.2 | Confident | 91.2 | Very high | 62 Ų | 62 | 64 Ų | 64 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -69.8 | -17 | 173.6 | 63.5 | 0 | 0 | 0 | 0 | 114 | H68 T437 | H68-S70 PolarHBondContact ND1-N 2.9Å; H68-S70 PolarHBondContact ND1-OG 3.17Å; H68-S70 PolarHBondContact O-N 3.31Å; S70-T437 WeakPolarHBondContact CB-OXT 3.27Å; S70-T437 PolarHBondContact OG-OXT 3.19Å |
| 71 | E | 86.1 | Confident | 91.3 | Very high | 150 Ų | 150 | 64.2 Ų | 64.2 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -91.5 | -5.3 | 177.7 | -59.9 | 178.2 | 161.3 | 0 | 0 | 112.5 | H68 W69 N73 | H68-E71 HydrophobicContact CB-CG 4.19Å; H68-E71 WeakPolarHBondContact O-CB 3.37Å; H68-E71 PolarHBondContact O-N 2.67Å; W69-E71 PolarHBondContact O-N 3.47Å; E71-N73 PolarHBondContact O-N 3.2Å |
| 72 | V | 90.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -66 | 117.8 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | F64 W69 I74 R77 | F64-V72 HydrophobicContact CD1-CG1 3.5Å; F64-V72 VanDerWaalsContact CD1-CG1 3.5Å; F64-V72 HydrophobicContact CE1-CG1 3.96Å; F64-V72 HydrophobicContact CG-CG1 4.45Å; F64-V72 WeakPolarHBondContact O-CG2 3.42Å; W69-V72 WeakPolarHBondContact O-CB 3.19Å; W69-V72 WeakPolarHBondContact O-CG2 3.41Å; W69-V72 PolarHBondContact O-N 2.91Å; V72-I74 PolarHBondContact O-N 2.79Å; V72-R77 HydrophobicContact CG1-CG 4.16Å |
| 73 | N | 93.4 | Very high | 91.6 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | trans | -59.7 | 131.1 | 178.4 | -171.5 | -62.3 | 0 | 0 | 0 | 111.1 | V25 E71 C75 W76 | V25-N73 HydrophobicContact CG1-CB 3.93Å; E71-N73 PolarHBondContact O-N 3.2Å; N73-C75 PolarHBondContact O-N 3.34Å; N73-C75 VanDerWaalsContact O-N 3.09Å; N73-C75 WeakPolarHBondContact OD1-CB 3.28Å; N73-C75 PolarHBondContact OD1-N 3.45Å; N73-W76 PolarHBondContact O-N 2.87Å | ||
| 74 | I | 93.5 | Very high | 91.8 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.3 | -30.5 | -176.1 | -164.4 | 67.1 | 0 | 0 | 0 | 113.6 | V72 W76 R77 Q78 A112 | V72-I74 PolarHBondContact O-N 2.79Å; I74-W76 PolarHBondContact O-N 3.27Å; I74-R77 HydrophobicContact CD1-CB 4.39Å; I74-R77 CarbonylContact O-C 3.55Å; I74-R77 WeakPolarHBondContact O-CA 3.42Å; I74-R77 WeakPolarHBondContact O-CB 3.26Å; I74-R77 PolarHBondContact O-N 3.1Å; I74-Q78 HydrophobicContact CG1-CG 4.43Å; I74-Q78 WeakPolarHBondContact O-CG 3.31Å; I74-Q78 PolarHBondContact O-N 2.89Å; I74-A112 HydrophobicContact CD1-CB 3.39Å; I74-A112 HydrophobicContact CG1-CB 4.09Å |
| 75 | C | 95.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -31.7 | 178.5 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | L21 D22 V25 V26 N73 R77 L79 | L21-C75 WeakPolarHBondContact CD2-O 3.27Å; D22-C75 PolarHBondContact N-SG 3.33Å; V25-C75 HydrophobicContact CB-CB 4.13Å; V25-C75 HydrophobicContact CG1-CB 3.94Å; V26-C75 HydrophobicContact CG2-CB 3.81Å; N73-C75 PolarHBondContact O-N 3.34Å; N73-C75 VanDerWaalsContact O-N 3.09Å; N73-C75 WeakPolarHBondContact OD1-CB 3.28Å; N73-C75 PolarHBondContact OD1-N 3.45Å; C75-R77 VanDerWaalsContact C-N 3.35Å; C75-L79 WeakPolarHBondContact O-CB 3.37Å; C75-L79 PolarHBondContact O-N 3.06Å |
| 76 | W | 96.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70 | -34.5 | 174 | -68.3 | 114.8 | 0 | 0 | 0 | 111.8 | V25 V26 I59 K63 F64 N73 I74 L79 H80 | V25-W76 WeakPolarHBondContact O-CZ2 3.43Å; V26-W76 HydrophobicContact CB-CH2 4.47Å; V26-W76 HydrophobicContact CB-CZ3 4.48Å; V26-W76 HydrophobicContact CG1-CH2 4.36Å; V26-W76 HydrophobicContact CG1-CZ3 4.11Å; V26-W76 HydrophobicContact CG2-CD2 4Å; V26-W76 HydrophobicContact CG2-CE3 3.92Å; V26-W76 HydrophobicContact CG2-CH2 4.26Å; V26-W76 HydrophobicContact CG2-CZ2 4.35Å; V26-W76 HydrophobicContact CG2-CZ3 4.05Å; I59-W76 HydrophobicContact CG2-CH2 4.28Å; I59-W76 HydrophobicContact CG2-CZ3 3.8Å; K63-W76 HydrophobicContact CB-CB 4.4Å; K63-W76 HydrophobicContact CB-CD2 3.67Å; K63-W76 HydrophobicContact CB-CE3 4.08Å; K63-W76 HydrophobicContact CB-CG 3.79Å; K63-W76 HydrophobicContact CD-CD2 4.41Å; K63-W76 HydrophobicContact CD-CH2 4.29Å; K63-W76 HydrophobicContact CD-CZ2 3.77Å; K63-W76 HydrophobicContact CG-CD2 3.67Å; K63-W76 HydrophobicContact CG-CE3 3.84Å; K63-W76 HydrophobicContact CG-CG 4.32Å; K63-W76 HydrophobicContact CG-CH2 3.92Å; K63-W76 HydrophobicContact CG-CZ2 3.73Å; K63-W76 HydrophobicContact CG-CZ3 3.96Å; F64-W76 HydrophobicContact CD1-CB 4.22Å; F64-W76 HydrophobicContact CE1-CB 3.73Å; N73-W76 PolarHBondContact O-N 2.87Å; I74-W76 PolarHBondContact O-N 3.27Å; W76-L79 HydrophobicContact CE3-CD2 3.69Å; W76-L79 HydrophobicContact CZ3-CD2 3.69Å; W76-L79 PolarHBondContact O-N 3.39Å; W76-H80 PolarHBondContact O-N 2.94Å |
| 77 | R | 95.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.2 | -39.8 | 175.6 | -63.6 | -176.9 | 64.2 | -175.4 | -2.6 | 111.4 | F64 V72 I74 C75 H80 T81 L110 G111 A112 | F64-R77 HydrophobicContact CE1-CB 4.47Å; F64-R77 HydrophobicContact CE1-CG 3.74Å; F64-R77 HydrophobicContact CZ-CB 4.48Å; F64-R77 HydrophobicContact CZ-CG 3.99Å; V72-R77 HydrophobicContact CG1-CG 4.16Å; I74-R77 HydrophobicContact CD1-CB 4.39Å; I74-R77 CarbonylContact O-C 3.55Å; I74-R77 WeakPolarHBondContact O-CA 3.42Å; I74-R77 WeakPolarHBondContact O-CB 3.26Å; I74-R77 PolarHBondContact O-N 3.1Å; C75-R77 VanDerWaalsContact C-N 3.35Å; R77-H80 WeakPolarHBondContact O-CB 3.46Å; R77-H80 PolarHBondContact O-N 3.46Å; R77-T81 PolarHBondContact O-N 3.06Å; R77-T81 PolarHBondContact O-OG1 3.28Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å; R77-L110 PolarHBondContact NE-O 2.88Å; R77-G111 PolarHBondContact NE-O 2.93Å; R77-G111 VanDerWaalsContact NE-O 3.09Å; R77-G111 PolarHBondContact NH2-O 3.38Å; R77-G111 VanDerWaalsContact O-CA 3.26Å; R77-G111 WeakPolarHBondContact O-CA 3.39Å; R77-A112 HydrophobicContact CB-CB 3.65Å; R77-A112 PolarHBondContact O-N 3.44Å |
| 78 | Q | 96.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 171.7 | -71.4 | 173.8 | -43.9 | 0 | 0 | 112 | L21 I74 H80 T81 L82 A112 L114 | L21-Q78 HydrophobicContact CD2-CB 3.67Å; I74-Q78 HydrophobicContact CG1-CG 4.43Å; I74-Q78 WeakPolarHBondContact O-CG 3.31Å; I74-Q78 PolarHBondContact O-N 2.89Å; Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.3Å; Q78-T81 WeakPolarHBondContact O-CB 3.44Å; Q78-T81 PolarHBondContact O-N 3.31Å; Q78-L82 PolarHBondContact O-N 3.5Å; Q78-A112 HydrophobicContact CG-CB 4.19Å; Q78-L114 HydrophobicContact CB-CD2 3.96Å; Q78-L114 HydrophobicContact CG-CD2 3.92Å |
| 79 | L | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 171.7 | 175.5 | 67.6 | 0 | 0 | 0 | 110.4 | L21 V26 V30 L34 C75 W76 T81 L82 V83 | L21-L79 HydrophobicContact CD1-CD1 4.12Å; L21-L79 HydrophobicContact CD2-CB 4.27Å; V26-L79 HydrophobicContact CG1-CD2 4.04Å; V30-L79 HydrophobicContact CG1-CD1 4.44Å; V30-L79 HydrophobicContact CG1-CD2 3.78Å; L34-L79 HydrophobicContact CD2-CD1 3.87Å; C75-L79 WeakPolarHBondContact O-CB 3.37Å; C75-L79 PolarHBondContact O-N 3.06Å; W76-L79 HydrophobicContact CE3-CD2 3.69Å; W76-L79 HydrophobicContact CZ3-CD2 3.69Å; W76-L79 PolarHBondContact O-N 3.39Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.15Å; L79-L82 PolarHBondContact O-N 3.48Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L79-V83 HydrophobicContact CD1-CG2 3.99Å; L79-V83 HydrophobicContact CG-CG2 4.21Å; L79-V83 WeakPolarHBondContact O-CG2 3.32Å; L79-V83 PolarHBondContact O-N 2.93Å |
| 80 | H | 97.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.9 | -173 | -82.6 | 0 | 0 | 0 | 112.1 | A60 F64 W76 R77 Q78 L82 V83 T84 K106 | A60-H80 HydrophobicContact CB-CB 4.31Å; F64-H80 HydrophobicContact CE2-CB 4.17Å; F64-H80 AromaticContact CE2-CD2 3.8Å; F64-H80 HydrophobicContact CZ-CB 3.68Å; W76-H80 PolarHBondContact O-N 2.94Å; R77-H80 WeakPolarHBondContact O-CB 3.46Å; R77-H80 PolarHBondContact O-N 3.46Å; Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.3Å; H80-L82 PolarHBondContact O-N 3.03Å; H80-V83 PolarHBondContact O-N 3.41Å; H80-T84 VanDerWaalsContact CE1-CG2 3.46Å; H80-T84 WeakPolarHBondContact CE1-CG2 3.46Å; H80-T84 WeakPolarHBondContact O-CB 3.48Å; H80-T84 WeakPolarHBondContact O-CG2 3.44Å; H80-T84 PolarHBondContact O-N 2.94Å; H80-T84 PolarHBondContact O-OG1 2.89Å; H80-K106 PolarHBondContact CE1-O 3.1Å |
| 81 | T | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 173.4 | -56 | 0 | 0 | 0 | 0 | 112.2 | R77 Q78 L79 T84 Y85 G111 A112 F117 L119 | R77-T81 PolarHBondContact O-N 3.06Å; R77-T81 PolarHBondContact O-OG1 3.28Å; R77-T81 VanDerWaalsContact O-OG1 3.1Å; Q78-T81 WeakPolarHBondContact O-CB 3.44Å; Q78-T81 PolarHBondContact O-N 3.31Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.15Å; T81-T84 WeakPolarHBondContact CA-OG1 3.49Å; T81-T84 PolarHBondContact O-OG1 3.26Å; T81-Y85 WeakPolarHBondContact O-CB 3.49Å; T81-Y85 PolarHBondContact O-N 3.4Å; T81-G111 WeakPolarHBondContact OG1-CA 3.29Å; T81-A112 WeakPolarHBondContact CB-O 3.45Å; T81-A112 PolarHBondContact OG1-N 3.32Å; T81-A112 PolarHBondContact OG1-O 2.98Å; T81-F117 HydrophobicContact CG2-CE1 4.25Å; T81-L119 HydrophobicContact CG2-CD1 4.02Å; T81-L119 HydrophobicContact CG2-CG 4.28Å |
| 82 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 179.8 | -74.6 | 166.1 | 0 | 0 | 0 | 112.7 | W17 T18 L21 L34 F38 Q78 L79 H80 Y85 V86 L114 | W17-L82 HydrophobicContact CB-CD1 4.41Å; W17-L82 HydrophobicContact CB-CD2 3.58Å; W17-L82 HydrophobicContact CD2-CD2 4.21Å; W17-L82 HydrophobicContact CE3-CD2 3.78Å; W17-L82 HydrophobicContact CG-CD2 4.19Å; T18-L82 HydrophobicContact CG2-CD1 4.5Å; L21-L82 HydrophobicContact CD1-CD1 4.05Å; L21-L82 HydrophobicContact CD2-CD1 4.41Å; L21-L82 HydrophobicContact CG-CD1 4.28Å; L34-L82 HydrophobicContact CD1-CB 4.27Å; L34-L82 HydrophobicContact CD2-CB 4.1Å; L34-L82 HydrophobicContact CD2-CD1 4.02Å; F38-L82 HydrophobicContact CE2-CD2 4.47Å; F38-L82 HydrophobicContact CZ-CD2 4Å; Q78-L82 PolarHBondContact O-N 3.5Å; L79-L82 PolarHBondContact O-N 3.48Å; L79-L82 VanDerWaalsContact O-N 3.14Å; H80-L82 PolarHBondContact O-N 3.03Å; L82-Y85 WeakPolarHBondContact O-CB 3.37Å; L82-Y85 PolarHBondContact O-N 2.99Å; L82-V86 WeakPolarHBondContact O-CG2 3.02Å; L82-V86 PolarHBondContact O-N 3.07Å; L82-V86 VanDerWaalsContact O-N 3.1Å; L82-L114 HydrophobicContact CD1-CD1 4.04Å; L82-L114 HydrophobicContact CD2-CD1 3.51Å; L82-L114 HydrophobicContact CG-CD1 3.64Å |
| 83 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | L34 C53 L56 L57 L79 H80 Y85 V86 Q87 | L34-V83 HydrophobicContact CD1-CG2 3.8Å; C53-V83 HydrophobicContact CB-CG1 3.95Å; C53-V83 WeakPolarHBondContact O-CG1 3.38Å; L56-V83 HydrophobicContact CB-CB 4.41Å; L56-V83 HydrophobicContact CB-CG1 3.89Å; L56-V83 HydrophobicContact CB-CG2 3.58Å; L56-V83 HydrophobicContact CD1-CG2 3.87Å; L56-V83 HydrophobicContact CG-CG2 4.31Å; L57-V83 HydrophobicContact CD1-CG1 4.34Å; L57-V83 HydrophobicContact CD2-CB 3.96Å; L57-V83 HydrophobicContact CD2-CG1 3.71Å; L57-V83 HydrophobicContact CG-CB 4.38Å; L57-V83 HydrophobicContact CG-CG1 3.58Å; L79-V83 HydrophobicContact CD1-CG2 3.99Å; L79-V83 HydrophobicContact CG-CG2 4.21Å; L79-V83 WeakPolarHBondContact O-CG2 3.32Å; L79-V83 PolarHBondContact O-N 2.93Å; H80-V83 PolarHBondContact O-N 3.41Å; V83-Y85 VanDerWaalsContact C-N 3.33Å; V83-V86 PolarHBondContact O-N 3.31Å; V83-Q87 WeakPolarHBondContact O-CB 3.47Å; V83-Q87 PolarHBondContact O-N 3.41Å |
| 84 | T | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -32.7 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | L57 H80 T81 Q87 T88 S103 G107 | L57-T84 HydrophobicContact CD2-CG2 3.91Å; H80-T84 VanDerWaalsContact CE1-CG2 3.46Å; H80-T84 WeakPolarHBondContact CE1-CG2 3.46Å; H80-T84 WeakPolarHBondContact O-CB 3.48Å; H80-T84 WeakPolarHBondContact O-CG2 3.44Å; H80-T84 PolarHBondContact O-N 2.94Å; H80-T84 PolarHBondContact O-OG1 2.89Å; T81-T84 WeakPolarHBondContact CA-OG1 3.49Å; T81-T84 PolarHBondContact O-OG1 3.26Å; T84-Q87 PolarHBondContact O-N 2.93Å; T84-T88 WeakPolarHBondContact O-CB 3.44Å; T84-T88 PolarHBondContact O-N 2.82Å; T84-T88 PolarHBondContact O-OG1 3Å; T84-S103 PolarHBondContact O-OG 2.85Å; T84-G107 WeakPolarHBondContact OG1-CA 3.16Å |
| 85 | Y | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.8 | -55.1 | 167.4 | 169.9 | -96.9 | 0 | 0 | 0 | 111.4 | W6 G10 W17 F38 T81 L82 V83 Q87 T88 M89 F117 L119 I122 | W6-Y85 PolarHBondContact O-OH 3.06Å; G10-Y85 WeakPolarHBondContact CA-OH 3.22Å; G10-Y85 PolarHBondContact N-OH 3.36Å; W17-Y85 HydrophobicContact CH2-CE1 4.34Å; W17-Y85 HydrophobicContact CH2-CE2 4.25Å; W17-Y85 AromaticContact CZ3-CD1 3.94Å; W17-Y85 HydrophobicContact CZ3-CD1 3.94Å; W17-Y85 AromaticContact CZ3-CE1 3.7Å; W17-Y85 HydrophobicContact CZ3-CE1 3.7Å; W17-Y85 HydrophobicContact CZ3-CE2 4.3Å; W17-Y85 HydrophobicContact CZ3-CG 4.38Å; W17-Y85 AromaticContact CZ3-CZ 3.86Å; F38-Y85 AromaticContact CE1-CD1 3.84Å; F38-Y85 HydrophobicContact CE1-CD1 3.84Å; F38-Y85 AromaticContact CE1-CE1 3.78Å; F38-Y85 HydrophobicContact CE1-CE1 3.78Å; F38-Y85 HydrophobicContact CZ-CD1 4.08Å; F38-Y85 HydrophobicContact CZ-CE1 4.46Å; T81-Y85 WeakPolarHBondContact O-CB 3.49Å; T81-Y85 PolarHBondContact O-N 3.4Å; L82-Y85 WeakPolarHBondContact O-CB 3.37Å; L82-Y85 PolarHBondContact O-N 2.99Å; V83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-Q87 VanDerWaalsContact C-N 3.29Å; Y85-Q87 PolarHBondContact O-N 3.18Å; Y85-T88 PolarHBondContact O-N 2.7Å; Y85-M89 HydrophobicContact CD1-CG 4.39Å; Y85-M89 HydrophobicContact CD2-CE 4.5Å; Y85-M89 HydrophobicContact CD2-CG 4.13Å; Y85-M89 HydrophobicContact CE1-CG 3.91Å; Y85-M89 HydrophobicContact CE2-CE 4.24Å; Y85-M89 HydrophobicContact CE2-CG 3.68Å; Y85-M89 HydrophobicContact CE2-SD 3.91Å; Y85-M89 HydrophobicContact CG-CG 4.49Å; Y85-M89 VanDerWaalsContact O-CG 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.32Å; Y85-M89 PolarHBondContact O-N 3.28Å; Y85-F117 HydrophobicContact CD2-CE1 4.46Å; Y85-F117 HydrophobicContact CD2-CE2 4.1Å; Y85-F117 AromaticContact CD2-CZ 3.48Å; Y85-F117 HydrophobicContact CD2-CZ 3.48Å; Y85-F117 VanDerWaalsContact CD2-CZ 3.48Å; Y85-F117 HydrophobicContact CE2-CE2 4.23Å; Y85-F117 HydrophobicContact CE2-CZ 4.06Å; Y85-F117 AromaticContact CG-CZ 4Å; Y85-F117 HydrophobicContact CG-CZ 4Å; Y85-L119 HydrophobicContact CD2-CD2 4.05Å; Y85-I122 HydrophobicContact CD2-CD1 3.77Å; Y85-I122 HydrophobicContact CE2-CD1 3.69Å |
| 86 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 111 | A37 F38 L41 T49 C53 L82 V83 M89 Y90 | A37-V86 HydrophobicContact CB-CG1 4.2Å; F38-V86 HydrophobicContact CD1-CG2 3.84Å; F38-V86 HydrophobicContact CD2-CG2 3.79Å; F38-V86 HydrophobicContact CE1-CG2 3.67Å; F38-V86 HydrophobicContact CE2-CG2 3.61Å; F38-V86 HydrophobicContact CG-CG2 3.9Å; F38-V86 HydrophobicContact CZ-CG2 3.54Å; L41-V86 HydrophobicContact CB-CG1 4.15Å; L41-V86 HydrophobicContact CD2-CB 4.47Å; L41-V86 HydrophobicContact CD2-CG1 4.05Å; T49-V86 HydrophobicContact CG2-CG1 3.51Å; C53-V86 VanDerWaalsContact SG-CG1 3.55Å; L82-V86 WeakPolarHBondContact O-CG2 3.02Å; L82-V86 PolarHBondContact O-N 3.07Å; L82-V86 VanDerWaalsContact O-N 3.1Å; V83-V86 PolarHBondContact O-N 3.31Å; V86-M89 PolarHBondContact O-N 3.18Å; V86-Y90 PolarHBondContact O-N 2.82Å; V86-Y90 VanDerWaalsContact O-N 3.17Å |
| 87 | Q | 98.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 19 Ų | 19 | 16% | 0.159 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.6 | 179.6 | 172.2 | 73.2 | 0 | 0 | 112 | C53 V83 T84 Y85 M89 Y90 L91 S103 | C53-Q87 HydrophobicContact CB-CB 4.17Å; V83-Q87 WeakPolarHBondContact O-CB 3.47Å; V83-Q87 PolarHBondContact O-N 3.41Å; T84-Q87 PolarHBondContact O-N 2.93Å; Y85-Q87 VanDerWaalsContact C-N 3.29Å; Y85-Q87 PolarHBondContact O-N 3.18Å; Q87-M89 PolarHBondContact O-N 3.31Å; Q87-Y90 VanDerWaalsContact CA-CD1 3.5Å; Q87-Y90 HydrophobicContact CB-CD1 4.45Å; Q87-Y90 HydrophobicContact CB-CE1 4.07Å; Q87-Y90 HydrophobicContact CG-CD1 4.45Å; Q87-Y90 HydrophobicContact CG-CE1 3.68Å; Q87-Y90 WeakPolarHBondContact O-CD1 2.79Å; Q87-Y90 WeakPolarHBondContact O-CE1 3.43Å; Q87-Y90 PolarHBondContact O-N 2.99Å; Q87-L91 HydrophobicContact CG-CD1 3.65Å; Q87-L91 HydrophobicContact CG-CG 4.42Å; Q87-L91 WeakPolarHBondContact O-CB 3.09Å; Q87-L91 WeakPolarHBondContact O-CD1 3.45Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 2.98Å; Q87-L91 PolarHBondContact O-N 3.31Å; Q87-S103 WeakPolarHBondContact CB-OG 3.15Å; Q87-S103 WeakPolarHBondContact CG-OG 3.4Å; Q87-S103 PolarHBondContact OE1-OG 2.85Å |
| 88 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | T84 Y85 Y90 L91 W92 A100 S103 C104 I122 I126 | T84-T88 WeakPolarHBondContact O-CB 3.44Å; T84-T88 PolarHBondContact O-N 2.82Å; T84-T88 PolarHBondContact O-OG1 3Å; Y85-T88 PolarHBondContact O-N 2.7Å; T88-Y90 PolarHBondContact O-N 3.27Å; T88-L91 PolarHBondContact O-N 3.42Å; T88-W92 VanDerWaalsContact O-CB 3.29Å; T88-W92 WeakPolarHBondContact O-CB 3.25Å; T88-W92 PolarHBondContact O-N 2.93Å; T88-A100 HydrophobicContact CG2-CB 4.41Å; T88-S103 PolarHBondContact OG1-OG 2.82Å; T88-C104 HydrophobicContact CG2-CB 3.76Å; T88-C104 WeakPolarHBondContact OG1-CA 3.37Å; T88-C104 PolarHBondContact OG1-N 3.47Å; T88-C104 VanDerWaalsContact OG1-N 3.17Å; T88-I122 HydrophobicContact CG2-CG2 3.96Å; T88-I126 HydrophobicContact CG2-CD1 3.38Å |
| 89 | M | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | -178.8 | -69.1 | -56.6 | 95.9 | 0 | 0 | 112.8 | L3 W6 L7 L41 Y85 V86 Q87 W92 A93 I122 | L3-M89 HydrophobicContact CD1-SD 4.38Å; W6-M89 HydrophobicContact CB-CE 4.45Å; W6-M89 HydrophobicContact CB-SD 3.69Å; L7-M89 HydrophobicContact CD2-CB 3.87Å; L7-M89 HydrophobicContact CD2-CG 4.32Å; L41-M89 HydrophobicContact CD1-CB 4.06Å; L41-M89 HydrophobicContact CD2-CB 3.76Å; L41-M89 HydrophobicContact CD2-CG 4.33Å; Y85-M89 HydrophobicContact CD1-CG 4.39Å; Y85-M89 HydrophobicContact CD2-CE 4.5Å; Y85-M89 HydrophobicContact CD2-CG 4.13Å; Y85-M89 HydrophobicContact CE1-CG 3.91Å; Y85-M89 HydrophobicContact CE2-CE 4.24Å; Y85-M89 HydrophobicContact CE2-CG 3.68Å; Y85-M89 HydrophobicContact CE2-SD 3.91Å; Y85-M89 HydrophobicContact CG-CG 4.49Å; Y85-M89 VanDerWaalsContact O-CG 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.32Å; Y85-M89 PolarHBondContact O-N 3.28Å; V86-M89 PolarHBondContact O-N 3.18Å; Q87-M89 PolarHBondContact O-N 3.31Å; M89-W92 HydrophobicContact CE-CE3 3.8Å; M89-W92 HydrophobicContact CE-CZ3 4.2Å; M89-A93 VanDerWaalsContact O-CB 3.3Å; M89-A93 WeakPolarHBondContact O-CB 3.39Å; M89-A93 PolarHBondContact O-N 3.32Å; M89-I122 HydrophobicContact CE-CD1 3.97Å; M89-I122 HydrophobicContact CE-CG1 4.42Å; M89-I122 HydrophobicContact CE-CG2 3.58Å |
| 90 | Y | 97.7 | Very high | 97.7 | Very high | 17 Ų | 17 | 24 Ų | 24 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.8 | -41.7 | 176.9 | 93.5 | -107 | 0 | 0 | 0 | 111.4 | T49 Q50 V86 Q87 T88 W92 A93 V94 | T49-Y90 HydrophobicContact CG2-CD1 3.77Å; T49-Y90 HydrophobicContact CG2-CG 4.2Å; Q50-Y90 HydrophobicContact CB-CE1 4.32Å; Q50-Y90 HydrophobicContact CB-CE2 4.39Å; V86-Y90 PolarHBondContact O-N 2.82Å; V86-Y90 VanDerWaalsContact O-N 3.17Å; Q87-Y90 VanDerWaalsContact CA-CD1 3.5Å; Q87-Y90 HydrophobicContact CB-CD1 4.45Å; Q87-Y90 HydrophobicContact CB-CE1 4.07Å; Q87-Y90 HydrophobicContact CG-CD1 4.45Å; Q87-Y90 HydrophobicContact CG-CE1 3.68Å; Q87-Y90 WeakPolarHBondContact O-CD1 2.79Å; Q87-Y90 WeakPolarHBondContact O-CE1 3.43Å; Q87-Y90 PolarHBondContact O-N 2.99Å; T88-Y90 PolarHBondContact O-N 3.27Å; Y90-W92 VanDerWaalsContact C-N 3.3Å; Y90-W92 PolarHBondContact O-N 3.45Å; Y90-A93 PolarHBondContact O-N 3.36Å; Y90-A93 VanDerWaalsContact O-N 3.14Å; Y90-V94 WeakPolarHBondContact O-CG2 3.48Å; Y90-V94 PolarHBondContact O-N 2.8Å |
| 91 | L | 98.4 | Very high | 97.7 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 179.9 | -74.8 | 167.5 | 0 | 0 | 0 | 110.7 | Q87 T88 V94 G95 S96 E99 A100 | Q87-L91 HydrophobicContact CG-CD1 3.65Å; Q87-L91 HydrophobicContact CG-CG 4.42Å; Q87-L91 WeakPolarHBondContact O-CB 3.09Å; Q87-L91 WeakPolarHBondContact O-CD1 3.45Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 2.98Å; Q87-L91 PolarHBondContact O-N 3.31Å; T88-L91 PolarHBondContact O-N 3.42Å; L91-V94 VanDerWaalsContact O-CG2 3.31Å; L91-V94 WeakPolarHBondContact O-CG2 3.18Å; L91-V94 PolarHBondContact O-N 3.33Å; L91-G95 PolarHBondContact O-N 2.88Å; L91-S96 PolarHBondContact O-N 2.92Å; L91-E99 HydrophobicContact CD1-CB 3.97Å; L91-E99 HydrophobicContact CD2-CB 3.91Å; L91-E99 HydrophobicContact CG-CB 4.44Å; L91-A100 HydrophobicContact CB-CB 3.69Å |
| 92 | W | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 27 Ų | 27 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.9 | -166.8 | 1.7 | 0 | 0 | 0 | 111.2 | L3 T88 M89 Y90 V94 G95 L97 A100 I122 E125 I126 E129 | L3-W92 HydrophobicContact CB-CD2 4.11Å; L3-W92 HydrophobicContact CB-CE3 4.4Å; L3-W92 HydrophobicContact CB-CZ2 4.39Å; L3-W92 HydrophobicContact CD1-CB 4Å; L3-W92 HydrophobicContact CD1-CD2 3.89Å; L3-W92 HydrophobicContact CD1-CE3 3.95Å; L3-W92 HydrophobicContact CD1-CG 3.91Å; L3-W92 HydrophobicContact CG-CD2 4.49Å; T88-W92 VanDerWaalsContact O-CB 3.29Å; T88-W92 WeakPolarHBondContact O-CB 3.25Å; T88-W92 PolarHBondContact O-N 2.93Å; M89-W92 HydrophobicContact CE-CE3 3.8Å; M89-W92 HydrophobicContact CE-CZ3 4.2Å; Y90-W92 VanDerWaalsContact C-N 3.3Å; Y90-W92 PolarHBondContact O-N 3.45Å; W92-V94 VanDerWaalsContact C-N 3.31Å; W92-V94 PolarHBondContact O-N 3.3Å; W92-G95 PolarHBondContact O-N 3.48Å; W92-L97 VanDerWaalsContact CD1-CD2 3.45Å; W92-L97 HydrophobicContact CG-CD2 4.39Å; W92-A100 HydrophobicContact CB-CB 4.16Å; W92-I122 HydrophobicContact CE3-CG2 4.4Å; W92-I122 HydrophobicContact CZ3-CG2 4.02Å; W92-E125 HydrophobicContact CH2-CB 3.82Å; W92-E125 HydrophobicContact CZ2-CB 4.43Å; W92-I126 HydrophobicContact CD2-CD1 4.05Å; W92-I126 HydrophobicContact CD2-CG1 3.66Å; W92-I126 HydrophobicContact CE3-CD1 3.71Å; W92-I126 HydrophobicContact CE3-CG1 3.58Å; W92-I126 HydrophobicContact CG-CG1 4.33Å; W92-I126 HydrophobicContact CH2-CG1 3.91Å; W92-I126 HydrophobicContact CZ2-CG1 3.97Å; W92-I126 HydrophobicContact CZ3-CD1 4.12Å; W92-I126 HydrophobicContact CZ3-CG1 3.72Å; W92-E129 PolarHBondContact NE1-OE2 2.87Å |
| 93 | A | 97.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.9 | -29.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L3 Y46 M89 Y90 G95 | L3-A93 HydrophobicContact CD1-CB 4.47Å; L3-A93 HydrophobicContact CD2-CB 3.98Å; Y46-A93 HydrophobicContact CE1-CB 4.28Å; Y46-A93 HydrophobicContact CE2-CB 4.41Å; Y46-A93 WeakPolarHBondContact OH-CB 3.43Å; M89-A93 VanDerWaalsContact O-CB 3.3Å; M89-A93 WeakPolarHBondContact O-CB 3.39Å; M89-A93 PolarHBondContact O-N 3.32Å; Y90-A93 PolarHBondContact O-N 3.36Å; Y90-A93 VanDerWaalsContact O-N 3.14Å; A93-G95 VanDerWaalsContact C-N 3.33Å |
| 94 | V | 97 | Very high | 97.7 | Very high | 72 Ų | 72 | 27.1 Ų | 27.1 | 44% | 0.436 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0.1 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | Y46 Y90 L91 W92 | Y46-V94 HydrophobicContact CD2-CG1 3.44Å; Y46-V94 VanDerWaalsContact CD2-CG1 3.44Å; Y46-V94 HydrophobicContact CE2-CG1 3.9Å; Y46-V94 HydrophobicContact CG-CG1 4.03Å; Y90-V94 WeakPolarHBondContact O-CG2 3.48Å; Y90-V94 PolarHBondContact O-N 2.8Å; L91-V94 VanDerWaalsContact O-CG2 3.31Å; L91-V94 WeakPolarHBondContact O-CG2 3.18Å; L91-V94 PolarHBondContact O-N 3.33Å; W92-V94 VanDerWaalsContact C-N 3.31Å; W92-V94 PolarHBondContact O-N 3.3Å |
| 95 | G | 95.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 27.1 Ų | 27.1 | 56% | 0.557 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 9.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | L91 W92 A93 L97 | L91-G95 PolarHBondContact O-N 2.88Å; W92-G95 PolarHBondContact O-N 3.48Å; A93-G95 VanDerWaalsContact C-N 3.33Å; G95-L97 VanDerWaalsContact C-N 3.25Å; G95-L97 PolarHBondContact O-N 3.44Å |
| 96 | S | 97.5 | Very high | 97.6 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | trans | -81.9 | 66.5 | 175.9 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | L91 K98 E99 A100 | L91-S96 PolarHBondContact O-N 2.92Å; S96-K98 PolarHBondContact O-N 3.46Å; S96-E99 WeakPolarHBondContact CB-OE2 3.42Å; S96-E99 PolarHBondContact O-N 3.18Å; S96-A100 WeakPolarHBondContact O-CB 3.4Å; S96-A100 PolarHBondContact O-N 3.34Å | ||
| 97 | L | 97.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -37.9 | -171.7 | -68.2 | 177.8 | 0 | 0 | 0 | 113.8 | W92 G95 A100 M101 E129 L130 | W92-L97 VanDerWaalsContact CD1-CD2 3.45Å; W92-L97 HydrophobicContact CG-CD2 4.39Å; G95-L97 VanDerWaalsContact C-N 3.25Å; G95-L97 PolarHBondContact O-N 3.44Å; L97-A100 PolarHBondContact O-N 3.03Å; L97-M101 WeakPolarHBondContact O-CB 3.45Å; L97-M101 PolarHBondContact O-N 2.85Å; L97-E129 HydrophobicContact CD1-CB 4.5Å; L97-E129 HydrophobicContact CD1-CG 3.91Å; L97-E129 HydrophobicContact CD2-CG 4.41Å; L97-L130 HydrophobicContact CB-CB 4.35Å; L97-L130 HydrophobicContact CB-CD1 3.98Å; L97-L130 HydrophobicContact CD1-CD1 4.49Å |
| 98 | K | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 31.6 Ų | 31.6 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.8 | -47.1 | 179.4 | -70.7 | -173.6 | 177 | -173.8 | 0 | 111.3 | S96 A100 M101 Q102 L130 E134 | S96-K98 PolarHBondContact O-N 3.46Å; K98-A100 VanDerWaalsContact C-N 3.33Å; K98-M101 PolarHBondContact O-N 3.31Å; K98-Q102 WeakPolarHBondContact O-CG 3.42Å; K98-Q102 PolarHBondContact O-N 2.73Å; K98-L130 HydrophobicContact CG-CD1 3.97Å; K98-L130 HydrophobicContact CG-CD2 3.95Å; K98-E134 WeakPolarHBondContact CE-OE2 3.12Å; K98-E134 IonicContact NZ-OE1 2.8Å; K98-E134 PolarHBondContact NZ-OE1 3.14Å; K98-E134 IonicContact NZ-OE2 3.3Å; K98-E134 PolarHBondContact NZ-OE2 2.85Å |
| 99 | E | 97.8 | Very high | 97.3 | Very high | 97 Ų | 97 | 32.6 Ų | 32.6 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 177.5 | -63.9 | 79.7 | -178.7 | 0 | 0 | 111 | L91 S96 Q102 S103 | L91-E99 HydrophobicContact CD1-CB 3.97Å; L91-E99 HydrophobicContact CD2-CB 3.91Å; L91-E99 HydrophobicContact CG-CB 4.44Å; S96-E99 WeakPolarHBondContact CB-OE2 3.42Å; S96-E99 PolarHBondContact O-N 3.18Å; E99-Q102 PolarHBondContact O-N 3.42Å; E99-S103 WeakPolarHBondContact O-CB 3.38Å; E99-S103 PolarHBondContact O-N 3.4Å |
| 100 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T88 L91 W92 S96 L97 K98 S103 C104 I126 | T88-A100 HydrophobicContact CG2-CB 4.41Å; L91-A100 HydrophobicContact CB-CB 3.69Å; W92-A100 HydrophobicContact CB-CB 4.16Å; S96-A100 WeakPolarHBondContact O-CB 3.4Å; S96-A100 PolarHBondContact O-N 3.34Å; L97-A100 PolarHBondContact O-N 3.03Å; K98-A100 VanDerWaalsContact C-N 3.33Å; A100-S103 PolarHBondContact O-N 2.82Å; A100-C104 WeakPolarHBondContact O-CB 3.42Å; A100-C104 PolarHBondContact O-N 3.44Å; A100-I126 HydrophobicContact CB-CD1 4.15Å; A100-I126 HydrophobicContact CB-CG2 4.44Å |
| 101 | M | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.6 | -50.8 | 176.1 | -171.8 | 69.1 | -97.2 | 0 | 0 | 111.2 | L97 K98 S103 C104 D105 A123 I126 H127 L130 H245 | L97-M101 WeakPolarHBondContact O-CB 3.45Å; L97-M101 PolarHBondContact O-N 2.85Å; K98-M101 PolarHBondContact O-N 3.31Å; M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 3.41Å; M101-C104 HydrophobicContact CE-CB 4.25Å; M101-C104 WeakPolarHBondContact O-CB 3.22Å; M101-C104 PolarHBondContact O-N 2.94Å; M101-D105 WeakPolarHBondContact CE-OD2 3.39Å; M101-D105 PolarHBondContact O-N 2.89Å; M101-A123 HydrophobicContact CE-CB 3.6Å; M101-I126 HydrophobicContact CB-CG2 3.92Å; M101-I126 HydrophobicContact SD-CB 4.3Å; M101-I126 HydrophobicContact SD-CG2 4.05Å; M101-H127 HydrophobicContact SD-CB 3.92Å; M101-L130 HydrophobicContact CB-CD2 4.45Å; M101-H245 HydrophobicContact CG-CB 4.28Å; M101-H245 VanDerWaalsContact CG-O 3.26Å; M101-H245 WeakPolarHBondContact CG-O 3.36Å |
| 102 | Q | 97.5 | Very high | 96.6 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 178.6 | -71.9 | 176.5 | -5.5 | 0 | 0 | 112.6 | K98 E99 K106 | K98-Q102 WeakPolarHBondContact O-CG 3.42Å; K98-Q102 PolarHBondContact O-N 2.73Å; E99-Q102 PolarHBondContact O-N 3.42Å; Q102-K106 WeakPolarHBondContact O-CB 3.23Å; Q102-K106 VanDerWaalsContact O-CG 3.24Å; Q102-K106 WeakPolarHBondContact O-CG 3.39Å; Q102-K106 PolarHBondContact O-N 3.37Å |
| 103 | S | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | T84 Q87 T88 E99 A100 M101 K106 G107 | T84-S103 PolarHBondContact O-OG 2.85Å; Q87-S103 WeakPolarHBondContact CB-OG 3.15Å; Q87-S103 WeakPolarHBondContact CG-OG 3.4Å; Q87-S103 PolarHBondContact OE1-OG 2.85Å; T88-S103 PolarHBondContact OG1-OG 2.82Å; E99-S103 WeakPolarHBondContact O-CB 3.38Å; E99-S103 PolarHBondContact O-N 3.4Å; A100-S103 PolarHBondContact O-N 2.82Å; M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 3.41Å; S103-K106 PolarHBondContact O-N 3.21Å; S103-G107 PolarHBondContact O-N 3.46Å |
| 104 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | -179.6 | -163.4 | 0 | 0 | 0 | 0 | 111.6 | T88 A100 M101 K106 G107 L108 | T88-C104 HydrophobicContact CG2-CB 3.76Å; T88-C104 WeakPolarHBondContact OG1-CA 3.37Å; T88-C104 PolarHBondContact OG1-N 3.47Å; T88-C104 VanDerWaalsContact OG1-N 3.17Å; A100-C104 WeakPolarHBondContact O-CB 3.42Å; A100-C104 PolarHBondContact O-N 3.44Å; M101-C104 HydrophobicContact CE-CB 4.25Å; M101-C104 WeakPolarHBondContact O-CB 3.22Å; M101-C104 PolarHBondContact O-N 2.94Å; C104-K106 PolarHBondContact O-N 2.75Å; C104-G107 WeakPolarHBondContact O-CA 3.36Å; C104-G107 PolarHBondContact O-N 3.36Å; C104-L108 PolarHBondContact O-N 2.86Å; C104-L108 VanDerWaalsContact O-N 3.1Å |
| 105 | D | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -34 | 177.8 | -79 | -40.4 | 0 | 0 | 0 | 112.5 | M101 G107 L108 I109 R246 T247 Q295 | M101-D105 WeakPolarHBondContact CE-OD2 3.39Å; M101-D105 PolarHBondContact O-N 2.89Å; D105-G107 PolarHBondContact O-N 2.9Å; D105-L108 WeakPolarHBondContact O-CB 3.44Å; D105-L108 PolarHBondContact O-N 3.05Å; D105-L108 VanDerWaalsContact O-N 3.08Å; D105-I109 HydrophobicContact CB-CD1 4.35Å; D105-I109 WeakPolarHBondContact O-CB 3.37Å; D105-I109 WeakPolarHBondContact O-CD1 3.39Å; D105-I109 VanDerWaalsContact O-CG1 3.22Å; D105-I109 WeakPolarHBondContact O-CG1 3.29Å; D105-I109 PolarHBondContact O-N 2.98Å; D105-R246 IonicContact OD1-CZ 2.61Å; D105-R246 IonicContact OD1-NE 3.18Å; D105-R246 PolarHBondContact OD1-NE 3.09Å; D105-R246 IonicContact OD1-NH2 3.41Å; D105-R246 PolarHBondContact OD1-NH2 3.47Å; D105-R246 VanDerWaalsContact OD2-CA 3.23Å; D105-R246 WeakPolarHBondContact OD2-CA 3.39Å; D105-R246 IonicContact OD2-NE 3.48Å; D105-R246 PolarHBondContact OD2-NE 3.21Å; D105-T247 PolarHBondContact OD2-N 2.9Å; D105-Q295 VanDerWaalsContact CG-NE2 3.28Å; D105-Q295 PolarHBondContact OD1-NE2 3.03Å |
| 106 | K | 96.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 47 Ų | 47 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 170.4 | -78.7 | 175.9 | -178.7 | -178.8 | 0 | 111.8 | H80 Q102 S103 C104 L108 L110 L265 | H80-K106 PolarHBondContact CE1-O 3.1Å; Q102-K106 WeakPolarHBondContact O-CB 3.23Å; Q102-K106 VanDerWaalsContact O-CG 3.24Å; Q102-K106 WeakPolarHBondContact O-CG 3.39Å; Q102-K106 PolarHBondContact O-N 3.37Å; S103-K106 PolarHBondContact O-N 3.21Å; C104-K106 PolarHBondContact O-N 2.75Å; K106-L108 VanDerWaalsContact C-N 3.32Å; K106-L110 WeakPolarHBondContact O-CB 3.24Å; K106-L110 PolarHBondContact O-N 2.72Å; K106-L265 HydrophobicContact CG-CD1 4.29Å |
| 107 | G | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T84 S103 C104 D105 G111 | T84-G107 WeakPolarHBondContact OG1-CA 3.16Å; S103-G107 PolarHBondContact O-N 3.46Å; C104-G107 WeakPolarHBondContact O-CA 3.36Å; C104-G107 PolarHBondContact O-N 3.36Å; D105-G107 PolarHBondContact O-N 2.9Å; G107-G111 WeakPolarHBondContact O-CA 3.45Å; G107-G111 PolarHBondContact O-N 3.4Å |
| 108 | L | 95.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.5 | -42 | 175.9 | -67.9 | 170.8 | 0 | 0 | 0 | 113.1 | C104 D105 K106 L119 T120 A123 Q295 | C104-L108 PolarHBondContact O-N 2.86Å; C104-L108 VanDerWaalsContact O-N 3.1Å; D105-L108 WeakPolarHBondContact O-CB 3.44Å; D105-L108 PolarHBondContact O-N 3.05Å; D105-L108 VanDerWaalsContact O-N 3.08Å; K106-L108 VanDerWaalsContact C-N 3.32Å; L108-L119 HydrophobicContact CD1-CB 4.45Å; L108-L119 HydrophobicContact CD2-CB 3.67Å; L108-L119 HydrophobicContact CG-CB 3.84Å; L108-T120 HydrophobicContact CD1-CG2 4.25Å; L108-T120 HydrophobicContact CD2-CG2 3.72Å; L108-A123 HydrophobicContact CD1-CB 4.05Å; L108-Q295 HydrophobicContact CB-CG 4.25Å; L108-Q295 HydrophobicContact CD1-CG 4.06Å |
| 109 | I | 95.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.8 | -47.8 | -174.8 | -66.7 | 161.3 | 0 | 0 | 0 | 111.5 | D105 T247 L265 Y290 | D105-I109 HydrophobicContact CB-CD1 4.35Å; D105-I109 WeakPolarHBondContact O-CB 3.37Å; D105-I109 WeakPolarHBondContact O-CD1 3.39Å; D105-I109 VanDerWaalsContact O-CG1 3.22Å; D105-I109 WeakPolarHBondContact O-CG1 3.29Å; D105-I109 PolarHBondContact O-N 2.98Å; I109-T247 HydrophobicContact CD1-CG2 4.33Å; I109-L265 HydrophobicContact CD1-CD1 4.47Å; I109-L265 HydrophobicContact CD1-CD2 4.18Å; I109-L265 HydrophobicContact CG2-CD2 4.23Å; I109-Y290 WeakPolarHBondContact CG1-OH 3.42Å |
| 110 | L | 93.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -98.7 | -24.4 | -172.9 | -56.8 | 175.2 | 0 | 0 | 0 | 112.6 | W61 F64 W69 R77 K106 | W61-L110 HydrophobicContact CZ3-CD1 4.36Å; F64-L110 HydrophobicContact CE2-CB 4.21Å; W69-L110 HydrophobicContact CZ2-CD2 4.45Å; R77-L110 PolarHBondContact NE-O 2.88Å; K106-L110 WeakPolarHBondContact O-CB 3.24Å; K106-L110 PolarHBondContact O-N 2.72Å |
| 111 | G | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -80.2 | -165.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | R77 T81 G107 | R77-G111 PolarHBondContact NE-O 2.93Å; R77-G111 VanDerWaalsContact NE-O 3.09Å; R77-G111 PolarHBondContact NH2-O 3.38Å; R77-G111 VanDerWaalsContact O-CA 3.26Å; R77-G111 WeakPolarHBondContact O-CA 3.39Å; T81-G111 WeakPolarHBondContact OG1-CA 3.29Å; G107-G111 WeakPolarHBondContact O-CA 3.45Å; G107-G111 PolarHBondContact O-N 3.4Å |
| 112 | A | 92.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | trans | -138.8 | 146.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | I74 R77 Q78 T81 | I74-A112 HydrophobicContact CD1-CB 3.39Å; I74-A112 HydrophobicContact CG1-CB 4.09Å; R77-A112 HydrophobicContact CB-CB 3.65Å; R77-A112 PolarHBondContact O-N 3.44Å; Q78-A112 HydrophobicContact CG-CB 4.19Å; T81-A112 WeakPolarHBondContact CB-O 3.45Å; T81-A112 PolarHBondContact OG1-N 3.32Å; T81-A112 PolarHBondContact OG1-O 2.98Å | ||
| 113 | P | 87.9 | Confident | 92.9 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 58% | 0.584 | 19% | 0.192 | S | C | * | . | P | Polyproline II helix | trans | -62.1 | 152 | 176.1 | 27.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 114 | L | 89.7 | Confident | 92.7 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 162.5 | 170.6 | -73.1 | 168.2 | 0 | 0 | 0 | 109.3 | W17 E20 Q78 L82 Q116 F117 | W17-L114 HydrophobicContact CB-CD1 3.98Å; W17-L114 HydrophobicContact CG-CD1 4.19Å; E20-L114 HydrophobicContact CB-CD2 3.88Å; E20-L114 HydrophobicContact CG-CD2 4.27Å; Q78-L114 HydrophobicContact CB-CD2 3.96Å; Q78-L114 HydrophobicContact CG-CD2 3.92Å; L82-L114 HydrophobicContact CD1-CD1 4.04Å; L82-L114 HydrophobicContact CD2-CD1 3.51Å; L82-L114 HydrophobicContact CG-CD1 3.64Å; L114-Q116 PolarHBondContact O-N 3.42Å; L114-Q116 VanDerWaalsContact O-N 3.1Å; L114-F117 HydrophobicContact CB-CB 4.18Å; L114-F117 HydrophobicContact CB-CD1 4.26Å; L114-F117 HydrophobicContact CD1-CD1 3.89Å; L114-F117 PolarHBondContact N-O 3.14Å; L114-F117 VanDerWaalsContact N-O 3.17Å; L114-F117 PolarHBondContact O-N 3.19Å; L114-F117 VanDerWaalsContact O-O 3.09Å |
| 115 | R | 86 | Confident | 92.6 | Very high | 190 Ų | 190 | 41.6 Ų | 41.6 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 122.8 | 174.1 | -67.6 | 176.4 | 179.1 | 173.5 | 2.2 | 108.8 | E20 F117 | E20-R115 WeakPolarHBondContact OE1-CB 3.37Å; E20-R115 PolarHBondContact OE1-N 2.96Å; E20-R115 PolarHBondContact OE2-N 3.2Å; R115-F117 PolarHBondContact O-N 3.35Å |
| 116 | Q | 82.4 | Confident | 92.6 | Very high | 179 Ų | 179 | 41.6 Ų | 41.6 | 84% | 0.836 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 12.8 | 177.4 | -49.3 | 169 | -13.7 | 0 | 0 | 114.9 | L114 | L114-Q116 PolarHBondContact O-N 3.42Å; L114-Q116 VanDerWaalsContact O-N 3.1Å |
| 117 | F | 86.4 | Confident | 92.6 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 128.5 | 178.5 | 173.9 | -102.6 | 0 | 0 | 0 | 111.9 | W6 W17 T81 Y85 L114 R115 L119 I122 | W6-F117 HydrophobicContact CZ3-CE2 4.47Å; W17-F117 HydrophobicContact CD2-CG 4.48Å; W17-F117 AromaticContact CE2-CD2 3.93Å; W17-F117 AromaticContact CE2-CG 3.78Å; W17-F117 AromaticContact CH2-CD2 3.76Å; W17-F117 HydrophobicContact CH2-CD2 3.76Å; W17-F117 AromaticContact CH2-CE2 3.65Å; W17-F117 HydrophobicContact CH2-CE2 3.65Å; W17-F117 HydrophobicContact CH2-CG 4.31Å; W17-F117 HydrophobicContact CH2-CZ 4.11Å; W17-F117 HydrophobicContact CZ2-CB 4.18Å; W17-F117 HydrophobicContact CZ2-CD1 4.4Å; W17-F117 AromaticContact CZ2-CD2 3.34Å; W17-F117 HydrophobicContact CZ2-CD2 3.34Å; W17-F117 AromaticContact CZ2-CE2 3.77Å; W17-F117 HydrophobicContact CZ2-CE2 3.77Å; W17-F117 AromaticContact CZ2-CG 3.71Å; W17-F117 HydrophobicContact CZ2-CG 3.71Å; W17-F117 HydrophobicContact CZ2-CZ 4.44Å; W17-F117 HydrophobicContact CZ3-CE2 4.38Å; W17-F117 HydrophobicContact CZ3-CZ 4.41Å; W17-F117 AromaticContact NE1-CG 3.97Å; T81-F117 HydrophobicContact CG2-CE1 4.25Å; Y85-F117 HydrophobicContact CD2-CE1 4.46Å; Y85-F117 HydrophobicContact CD2-CE2 4.1Å; Y85-F117 AromaticContact CD2-CZ 3.48Å; Y85-F117 HydrophobicContact CD2-CZ 3.48Å; Y85-F117 VanDerWaalsContact CD2-CZ 3.48Å; Y85-F117 HydrophobicContact CE2-CE2 4.23Å; Y85-F117 HydrophobicContact CE2-CZ 4.06Å; Y85-F117 AromaticContact CG-CZ 4Å; Y85-F117 HydrophobicContact CG-CZ 4Å; L114-F117 HydrophobicContact CB-CB 4.18Å; L114-F117 HydrophobicContact CB-CD1 4.26Å; L114-F117 HydrophobicContact CD1-CD1 3.89Å; L114-F117 PolarHBondContact N-O 3.14Å; L114-F117 VanDerWaalsContact N-O 3.17Å; L114-F117 PolarHBondContact O-N 3.19Å; L114-F117 VanDerWaalsContact O-O 3.09Å; R115-F117 PolarHBondContact O-N 3.35Å; F117-L119 HydrophobicContact CE1-CD2 4.32Å; F117-L119 HydrophobicContact CE1-CG 4.42Å; F117-L119 HydrophobicContact CZ-CD2 3.85Å; F117-L119 HydrophobicContact CZ-CG 4.36Å; F117-I122 HydrophobicContact CE2-CD1 4.26Å; F117-I122 HydrophobicContact CZ-CD1 4.41Å |
| 118 | S | 86.1 | Confident | 92.5 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | trans | -138.7 | 146.6 | 173.4 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | T120 | S118-T120 PolarHBondContact O-N 3.36Å; S118-T120 WeakPolarHBondContact OG-CG2 3.21Å; S118-T120 PolarHBondContact OG-N 2.92Å; S118-T120 PolarHBondContact OG-OG1 3.44Å | ||
| 119 | L | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -76 | -9.2 | 177.5 | -73 | 172.4 | 0 | 0 | 0 | 112.9 | T81 Y85 L108 F117 T121 I122 A123 | T81-L119 HydrophobicContact CG2-CD1 4.02Å; T81-L119 HydrophobicContact CG2-CG 4.28Å; Y85-L119 HydrophobicContact CD2-CD2 4.05Å; L108-L119 HydrophobicContact CD1-CB 4.45Å; L108-L119 HydrophobicContact CD2-CB 3.67Å; L108-L119 HydrophobicContact CG-CB 3.84Å; F117-L119 HydrophobicContact CE1-CD2 4.32Å; F117-L119 HydrophobicContact CE1-CG 4.42Å; F117-L119 HydrophobicContact CZ-CD2 3.85Å; F117-L119 HydrophobicContact CZ-CG 4.36Å; L119-T121 PolarHBondContact O-N 3.27Å; L119-I122 HydrophobicContact CD2-CD1 4.08Å; L119-I122 PolarHBondContact O-N 2.94Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 2.87Å |
| 120 | T | 93.8 | Very high | 92.6 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | -173.6 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | L108 S118 A123 T124 E294 P297 | L108-T120 HydrophobicContact CD1-CG2 4.25Å; L108-T120 HydrophobicContact CD2-CG2 3.72Å; S118-T120 PolarHBondContact O-N 3.36Å; S118-T120 WeakPolarHBondContact OG-CG2 3.21Å; S118-T120 PolarHBondContact OG-N 2.92Å; S118-T120 PolarHBondContact OG-OG1 3.44Å; T120-A123 WeakPolarHBondContact O-CB 3.46Å; T120-A123 PolarHBondContact O-N 3.13Å; T120-T124 PolarHBondContact O-N 3.08Å; T120-T124 PolarHBondContact O-OG1 3.11Å; T120-E294 VanDerWaalsContact CG2-O 3.31Å; T120-E294 WeakPolarHBondContact CG2-O 3.48Å; T120-P297 HydrophobicContact CG2-CG 4.35Å |
| 121 | T | 92.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 44% | 0.436 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.7 | -38.6 | -179.8 | -48.7 | 0 | 0 | 0 | 0 | 112 | W6 L119 A123 T124 E125 | W6-T121 HydrophobicContact CH2-CG2 4.38Å; W6-T121 HydrophobicContact CZ2-CG2 3.73Å; L119-T121 PolarHBondContact O-N 3.27Å; T121-A123 VanDerWaalsContact C-N 3.32Å; T121-T124 PolarHBondContact O-N 3.02Å; T121-E125 WeakPolarHBondContact O-CG 3.4Å; T121-E125 PolarHBondContact O-N 3.4Å; T121-E125 VanDerWaalsContact O-N 3.13Å |
| 122 | I | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174 | -66.9 | 169.2 | 0 | 0 | 0 | 109.8 | W6 Y85 T88 M89 W92 F117 L119 T124 E125 I126 | W6-I122 HydrophobicContact CD2-CD1 3.84Å; W6-I122 HydrophobicContact CD2-CG1 3.48Å; W6-I122 VanDerWaalsContact CD2-CG1 3.48Å; W6-I122 HydrophobicContact CE3-CD1 3.74Å; W6-I122 HydrophobicContact CE3-CG1 3.81Å; W6-I122 HydrophobicContact CG-CD1 4.25Å; W6-I122 HydrophobicContact CG-CG1 3.88Å; W6-I122 HydrophobicContact CH2-CG1 4.21Å; W6-I122 HydrophobicContact CZ2-CG1 3.91Å; W6-I122 HydrophobicContact CZ3-CD1 4.17Å; W6-I122 HydrophobicContact CZ3-CG1 4.16Å; Y85-I122 HydrophobicContact CD2-CD1 3.77Å; Y85-I122 HydrophobicContact CE2-CD1 3.69Å; T88-I122 HydrophobicContact CG2-CG2 3.96Å; M89-I122 HydrophobicContact CE-CD1 3.97Å; M89-I122 HydrophobicContact CE-CG1 4.42Å; M89-I122 HydrophobicContact CE-CG2 3.58Å; W92-I122 HydrophobicContact CE3-CG2 4.4Å; W92-I122 HydrophobicContact CZ3-CG2 4.02Å; F117-I122 HydrophobicContact CE2-CD1 4.26Å; F117-I122 HydrophobicContact CZ-CD1 4.41Å; L119-I122 HydrophobicContact CD2-CD1 4.08Å; L119-I122 PolarHBondContact O-N 2.94Å; I122-T124 PolarHBondContact O-N 2.94Å; I122-E125 PolarHBondContact O-N 2.99Å; I122-I126 HydrophobicContact CG2-CD1 3.68Å; I122-I126 HydrophobicContact CG2-CG1 4.34Å; I122-I126 WeakPolarHBondContact O-CG1 3.28Å; I122-I126 PolarHBondContact O-N 3.46Å |
| 123 | A | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M101 L108 L119 T120 T121 E125 H127 | M101-A123 HydrophobicContact CE-CB 3.6Å; L108-A123 HydrophobicContact CD1-CB 4.05Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 2.87Å; T120-A123 WeakPolarHBondContact O-CB 3.46Å; T120-A123 PolarHBondContact O-N 3.13Å; T121-A123 VanDerWaalsContact C-N 3.32Å; A123-E125 VanDerWaalsContact C-N 3.35Å; A123-E125 PolarHBondContact O-N 3.36Å; A123-H127 VanDerWaalsContact O-CB 3.25Å; A123-H127 WeakPolarHBondContact O-CB 3.45Å; A123-H127 PolarHBondContact O-N 2.85Å |
| 124 | T | 95.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 112 | T120 T121 I122 A128 E298 | T120-T124 PolarHBondContact O-N 3.08Å; T120-T124 PolarHBondContact O-OG1 3.11Å; T121-T124 PolarHBondContact O-N 3.02Å; I122-T124 PolarHBondContact O-N 2.94Å; T124-A128 WeakPolarHBondContact O-CB 3.38Å; T124-A128 PolarHBondContact O-N 3.18Å; T124-E298 WeakPolarHBondContact CB-OE1 2.97Å; T124-E298 WeakPolarHBondContact CG2-OE1 3.43Å; T124-E298 PolarHBondContact OG1-OE1 3.08Å |
| 125 | E | 95.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.9 | -45.1 | -179.4 | -71 | 174.2 | -171.9 | 0 | 0 | 112.4 | M1 W6 W92 T121 I122 A123 H127 A128 E129 | M1-E125 VanDerWaalsContact C-OE2 3.29Å; M1-E125 WeakPolarHBondContact CA-OE1 3.28Å; M1-E125 PolarHBondContact N-OE1 3.23Å; M1-E125 VanDerWaalsContact O-OE1 3.09Å; W6-E125 VanDerWaalsContact NE1-CD 3.33Å; W6-E125 PolarHBondContact NE1-OE1 3.42Å; W6-E125 PolarHBondContact NE1-OE2 2.8Å; W92-E125 HydrophobicContact CH2-CB 3.82Å; W92-E125 HydrophobicContact CZ2-CB 4.43Å; T121-E125 WeakPolarHBondContact O-CG 3.4Å; T121-E125 PolarHBondContact O-N 3.4Å; T121-E125 VanDerWaalsContact O-N 3.13Å; I122-E125 PolarHBondContact O-N 2.99Å; A123-E125 VanDerWaalsContact C-N 3.35Å; A123-E125 PolarHBondContact O-N 3.36Å; E125-H127 VanDerWaalsContact C-N 3.33Å; E125-H127 PolarHBondContact O-N 2.85Å; E125-A128 PolarHBondContact O-N 2.97Å; E125-E129 PolarHBondContact O-N 3.02Å |
| 126 | I | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 176 | -65.7 | 171.2 | 0 | 0 | 0 | 110.3 | T88 W92 A100 M101 I122 A128 E129 L130 | T88-I126 HydrophobicContact CG2-CD1 3.38Å; W92-I126 HydrophobicContact CD2-CD1 4.05Å; W92-I126 HydrophobicContact CD2-CG1 3.66Å; W92-I126 HydrophobicContact CE3-CD1 3.71Å; W92-I126 HydrophobicContact CE3-CG1 3.58Å; W92-I126 HydrophobicContact CG-CG1 4.33Å; W92-I126 HydrophobicContact CH2-CG1 3.91Å; W92-I126 HydrophobicContact CZ2-CG1 3.97Å; W92-I126 HydrophobicContact CZ3-CD1 4.12Å; W92-I126 HydrophobicContact CZ3-CG1 3.72Å; A100-I126 HydrophobicContact CB-CD1 4.15Å; A100-I126 HydrophobicContact CB-CG2 4.44Å; M101-I126 HydrophobicContact CB-CG2 3.92Å; M101-I126 HydrophobicContact SD-CB 4.3Å; M101-I126 HydrophobicContact SD-CG2 4.05Å; I122-I126 HydrophobicContact CG2-CD1 3.68Å; I122-I126 HydrophobicContact CG2-CG1 4.34Å; I122-I126 WeakPolarHBondContact O-CG1 3.28Å; I122-I126 PolarHBondContact O-N 3.46Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.42Å; I126-E129 PolarHBondContact O-N 2.62Å; I126-L130 VanDerWaalsContact O-CB 3.27Å; I126-L130 WeakPolarHBondContact O-CB 3.27Å; I126-L130 PolarHBondContact O-N 3.37Å |
| 127 | H | 97 | Very high | 94 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 175.7 | 170.9 | -79 | 0 | 0 | 0 | 111.5 | M101 A123 E125 L130 S131 K241 L242 G244 | M101-H127 HydrophobicContact SD-CB 3.92Å; A123-H127 VanDerWaalsContact O-CB 3.25Å; A123-H127 WeakPolarHBondContact O-CB 3.45Å; A123-H127 PolarHBondContact O-N 2.85Å; E125-H127 VanDerWaalsContact C-N 3.33Å; E125-H127 PolarHBondContact O-N 2.85Å; H127-L130 PolarHBondContact O-N 3.16Å; H127-S131 PolarHBondContact CE1-OG 2.94Å; H127-S131 PolarHBondContact ND1-OG 3.41Å; H127-S131 PolarHBondContact NE2-OG 3.04Å; H127-S131 WeakPolarHBondContact O-CB 3.45Å; H127-S131 PolarHBondContact O-N 2.75Å; H127-S131 PolarHBondContact O-OG 2.91Å; H127-K241 PolarHBondContact CE1-O 2.95Å; H127-L242 VanDerWaalsContact CE1-C 3.44Å; H127-L242 PolarHBondContact CE1-O 3.3Å; H127-L242 PolarHBondContact NE2-O 3.46Å; H127-G244 PolarHBondContact NE2-N 3.38Å |
| 128 | A | 95.2 | Very high | 94 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T124 E125 I126 S131 A132 | T124-A128 WeakPolarHBondContact O-CB 3.38Å; T124-A128 PolarHBondContact O-N 3.18Å; E125-A128 PolarHBondContact O-N 2.97Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.42Å; A128-S131 PolarHBondContact O-N 3.34Å; A128-A132 PolarHBondContact O-N 3.26Å; A128-A132 VanDerWaalsContact O-N 3.09Å |
| 129 | E | 96 | Very high | 93.9 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.3 | -169.4 | 178 | 159 | 0 | 0 | 111.4 | W92 L97 E125 I126 S131 A132 V133 | W92-E129 PolarHBondContact NE1-OE2 2.87Å; L97-E129 HydrophobicContact CD1-CB 4.5Å; L97-E129 HydrophobicContact CD1-CG 3.91Å; L97-E129 HydrophobicContact CD2-CG 4.41Å; E125-E129 PolarHBondContact O-N 3.02Å; I126-E129 PolarHBondContact O-N 2.62Å; E129-S131 PolarHBondContact O-N 3.04Å; E129-A132 WeakPolarHBondContact O-CB 3.41Å; E129-A132 PolarHBondContact O-N 3.42Å; E129-V133 PolarHBondContact O-N 2.84Å |
| 130 | L | 96.2 | Very high | 93 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 178.3 | -177.5 | 56.2 | 0 | 0 | 0 | 111.8 | L97 K98 M101 I126 H127 A132 V133 E134 H245 | L97-L130 HydrophobicContact CB-CB 4.35Å; L97-L130 HydrophobicContact CB-CD1 3.98Å; L97-L130 HydrophobicContact CD1-CD1 4.49Å; K98-L130 HydrophobicContact CG-CD1 3.97Å; K98-L130 HydrophobicContact CG-CD2 3.95Å; M101-L130 HydrophobicContact CB-CD2 4.45Å; I126-L130 VanDerWaalsContact O-CB 3.27Å; I126-L130 WeakPolarHBondContact O-CB 3.27Å; I126-L130 PolarHBondContact O-N 3.37Å; H127-L130 PolarHBondContact O-N 3.16Å; L130-A132 VanDerWaalsContact C-N 3.29Å; L130-A132 PolarHBondContact O-N 3.04Å; L130-V133 PolarHBondContact O-N 3.4Å; L130-E134 PolarHBondContact O-N 2.94Å; L130-H245 HydrophobicContact CD2-CB 3.73Å; L130-H245 VanDerWaalsContact CD2-CG 3.44Å; L130-H245 HydrophobicContact CG-CB 4.45Å |
| 131 | S | 96.1 | Very high | 92 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.6 | -26 | 177 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | H127 A128 E129 V133 P135 | H127-S131 PolarHBondContact CE1-OG 2.94Å; H127-S131 PolarHBondContact ND1-OG 3.41Å; H127-S131 PolarHBondContact NE2-OG 3.04Å; H127-S131 WeakPolarHBondContact O-CB 3.45Å; H127-S131 PolarHBondContact O-N 2.75Å; H127-S131 PolarHBondContact O-OG 2.91Å; A128-S131 PolarHBondContact O-N 3.34Å; E129-S131 PolarHBondContact O-N 3.04Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-P135 WeakPolarHBondContact O-CA 3.22Å; S131-P135 WeakPolarHBondContact O-CG 3.43Å |
| 132 | A | 95.3 | Very high | 90.8 | Very high | 85 Ų | 85 | 52 Ų | 52 | 70% | 0.702 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.3 | -31.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A128 E129 L130 | A128-A132 PolarHBondContact O-N 3.26Å; A128-A132 VanDerWaalsContact O-N 3.09Å; E129-A132 WeakPolarHBondContact O-CB 3.41Å; E129-A132 PolarHBondContact O-N 3.42Å; L130-A132 VanDerWaalsContact C-N 3.29Å; L130-A132 PolarHBondContact O-N 3.04Å |
| 133 | V | 94.3 | Very high | 89.2 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 69% | 0.685 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -85.1 | -41.1 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | E129 L130 S131 | E129-V133 PolarHBondContact O-N 2.84Å; L130-V133 PolarHBondContact O-N 3.4Å; S131-V133 VanDerWaalsContact C-N 3.34Å |
| 134 | E | 94.9 | Very high | 87.1 | Confident | 77 Ų | 77 | 59 Ų | 59 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -135.7 | 84.7 | -174.8 | -171.4 | 172.4 | 163.9 | 0 | 0 | 110.2 | K98 L130 C136 H245 | K98-E134 WeakPolarHBondContact CE-OE2 3.12Å; K98-E134 IonicContact NZ-OE1 2.8Å; K98-E134 PolarHBondContact NZ-OE1 3.14Å; K98-E134 IonicContact NZ-OE2 3.3Å; K98-E134 PolarHBondContact NZ-OE2 2.85Å; L130-E134 PolarHBondContact O-N 2.94Å; E134-C136 PolarHBondContact O-N 2.87Å; E134-H245 PolarHBondContact O-NE2 3.24Å |
| 135 | P | 93.9 | Very high | 84.6 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | trans | -64.5 | 132.9 | 178 | -20.7 | 31.7 | 0 | 0 | 0 | 112 | S131 S137 | S131-P135 WeakPolarHBondContact O-CA 3.22Å; S131-P135 WeakPolarHBondContact O-CG 3.43Å; P135-S137 PolarHBondContact O-N 2.87Å | ||
| 136 | C | 92.8 | Very high | 82.2 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | trans | -82.5 | 110.9 | 173.6 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | E134 L240 H245 H269 | E134-C136 PolarHBondContact O-N 2.87Å; C136-L240 HydrophobicContact CB-CB 4.17Å; C136-L240 WeakPolarHBondContact CB-O 3.44Å; C136-H245 PolarHBondContact SG-CE1 3.24Å; C136-H245 PolarHBondContact SG-NE2 3.18Å; C136-H269 HydrophobicContact CB-CB 4.09Å | ||
| 137 | S | 87.7 | Confident | 79.3 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | trans | -104.5 | 153.2 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | P135 | P135-S137 PolarHBondContact O-N 2.87Š| ||
| 138 | L | 87 | Confident | 76.5 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | trans | -61.7 | 130.7 | 173.9 | -167.8 | 71.8 | 0 | 0 | 0 | 110.5 | C142 L236 E237 L240 V272 | L138-C142 HydrophobicContact CD1-CB 3.74Å; L138-C142 HydrophobicContact CD2-CB 3.67Å; L138-C142 WeakPolarHBondContact CD2-O 3.45Å; L138-C142 HydrophobicContact CG-CB 3.62Å; L138-L236 HydrophobicContact CD1-CB 3.52Å; L138-L236 HydrophobicContact CD1-CD1 3.85Å; L138-L236 HydrophobicContact CD1-CG 4.33Å; L138-E237 HydrophobicContact CB-CG 4.26Å; L138-E237 WeakPolarHBondContact CD2-OE1 3.25Å; L138-L240 HydrophobicContact CB-CD1 4.12Å; L138-L240 HydrophobicContact CD1-CD1 3.77Å; L138-V272 HydrophobicContact CD1-CG1 4.05Å | ||
| 139 | P | 83.6 | Confident | 74 | Confident | 35 Ų | 35 | 80 Ų | 80 | 23% | 0.227 | 46% | 0.463 | C | S | . | . | trans | -58.1 | 141.8 | 173.8 | -19.4 | 28.7 | 0 | 0 | 0 | 111.2 | K141 C142 A273 | P139-K141 PolarHBondContact O-N 2.77Å; P139-C142 WeakPolarHBondContact O-CB 3.47Å; P139-C142 PolarHBondContact O-N 2.83Å; P139-A273 HydrophobicContact CG-CB 3.92Å | ||
| 140 | S | 76.8 | Confident | 71.7 | Confident | 127 Ų | 127 | 80.1 Ų | 80.1 | 89% | 0.888 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.2 | -177.2 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 141 | K | 72.2 | Confident | 69.6 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.9 | 177.3 | -59.8 | 174.7 | 173.6 | -176.5 | 0 | 113.3 | P139 N279 | P139-K141 PolarHBondContact O-N 2.77Å; K141-N279 HydrophobicContact CD-CB 4.11Å |
| 142 | C | 68.6 | Low | 67.9 | Low | 12 Ų | 12 | 83.6 Ų | 83.6 | 8% | 0.081 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -89.4 | 130.8 | 175.1 | -67.7 | 0 | 0 | 0 | 0 | 108.2 | L138 P139 S144 F276 | L138-C142 HydrophobicContact CD1-CB 3.74Å; L138-C142 HydrophobicContact CD2-CB 3.67Å; L138-C142 WeakPolarHBondContact CD2-O 3.45Å; L138-C142 HydrophobicContact CG-CB 3.62Å; P139-C142 WeakPolarHBondContact O-CB 3.47Å; P139-C142 PolarHBondContact O-N 2.83Å; C142-S144 PolarHBondContact O-N 3.4Å; C142-F276 VanDerWaalsContact SG-C 3.56Å; C142-F276 PolarHBondContact SG-O 2.84Å; C142-F276 VanDerWaalsContact SG-O 3.35Å |
| 143 | S | 61.8 | Low | 65.9 | Low | 75 Ų | 75 | 81.6 Ų | 81.6 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | trans | -74.2 | 120.6 | 171.6 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | T145 | S143-T145 PolarHBondContact O-N 3.17Š| ||
| 144 | S | 51.6 | Low | 64.4 | Low | 72 Ų | 72 | 76.3 Ų | 76.3 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -62.1 | -25.6 | 169 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | C142 E237 | C142-S144 PolarHBondContact O-N 3.4Å; S144-E237 WeakPolarHBondContact CA-OE1 3.37Å; S144-E237 WeakPolarHBondContact CB-OE1 3.47Å |
| 145 | T | 44.3 | Very low | 62.5 | Low | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.331 | 42% | 0.419 | S | S | . | . | trans | -106.6 | 116.9 | -168.1 | 37 | 0 | 0 | 0 | 0 | 111 | S143 R147 N148 | S143-T145 PolarHBondContact O-N 3.17Å; T145-R147 HydrophobicContact CG2-CB 4.17Å; T145-R147 HydrophobicContact CG2-CG 3.8Å; T145-R147 PolarHBondContact O-N 3.02Å; T145-N148 PolarHBondContact O-N 3.38Å | ||
| 146 | T | 44.1 | Very low | 61 | Low | 116 Ų | 116 | 70.4 Ų | 70.4 | 71% | 0.712 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 5 | 148.3 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 147 | R | 36.6 | Very low | 59.4 | Low | 205 Ų | 205 | 71.7 Ų | 71.7 | 77% | 0.774 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.1 | 175.5 | -62.7 | -174.6 | -178.8 | 173 | 0.5 | 113.8 | T145 L149 | T145-R147 HydrophobicContact CG2-CB 4.17Å; T145-R147 HydrophobicContact CG2-CG 3.8Å; T145-R147 PolarHBondContact O-N 3.02Å; R147-L149 PolarHBondContact O-N 2.9Å |
| 148 | N | 37.9 | Very low | 57.9 | Low | 105 Ų | 105 | 70 Ų | 70 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -68.3 | 95.8 | 156.3 | -88.2 | -7.9 | 0 | 0 | 0 | 105.1 | T145 D150 | T145-N148 PolarHBondContact O-N 3.38Å; N148-D150 PolarHBondContact O-N 3.04Å |
| 149 | L | 42.7 | Very low | 56.4 | Low | 107 Ų | 107 | 78.1 Ų | 78.1 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | trans | -63.2 | 73.7 | 172.4 | -70.3 | 163.3 | 0 | 0 | 0 | 106.9 | R147 K151 I165 | R147-L149 PolarHBondContact O-N 2.9Å; L149-K151 PolarHBondContact O-N 2.86Å; L149-I165 WeakPolarHBondContact CD2-O 3.2Å | ||
| 150 | D | 47.4 | Very low | 55.1 | Low | 93 Ų | 93 | 81.5 Ų | 81.5 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | trans | -66 | 106.1 | 174.3 | -71.5 | -19.1 | 0 | 0 | 0 | 105.8 | N148 I152 I165 | N148-D150 PolarHBondContact O-N 3.04Å; D150-I152 PolarHBondContact O-N 3.24Å; D150-I165 HydrophobicContact CB-CD1 4.33Å; D150-I165 WeakPolarHBondContact O-CB 3.45Å; D150-I165 WeakPolarHBondContact O-CD1 3.16Å; D150-I165 PolarHBondContact O-N 3.33Å | ||
| 151 | K | 52.7 | Low | 54.1 | Low | 82 Ų | 82 | 78.8 Ų | 78.8 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 105.7 | 167.2 | -82.7 | -177.8 | 178 | -178.5 | 0 | 106.6 | L149 I163 Q164 | L149-K151 PolarHBondContact O-N 2.86Å; K151-I163 CarbonylContact C-O 3.55Å; K151-I163 WeakPolarHBondContact CA-O 3.42Å; K151-Q164 HydrophobicContact CD-CG 4.05Å; K151-Q164 VanDerWaalsContact CE-CD 3.42Å; K151-Q164 VanDerWaalsContact CE-CG 3.43Å; K151-Q164 HydrophobicContact CG-CG 3.56Å |
| 152 | I | 59.3 | Low | 53.3 | Low | 23 Ų | 23 | 76.3 Ų | 76.3 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.7 | 172.2 | -61.4 | -178.1 | 0 | 0 | 0 | 107.1 | D150 I154 I163 I165 M418 T419 | D150-I152 PolarHBondContact O-N 3.24Å; I152-I154 HydrophobicContact CG2-CD1 4.05Å; I152-I154 HydrophobicContact CG2-CG1 3.61Å; I152-I163 PolarHBondContact N-O 3.1Å; I152-I163 WeakPolarHBondContact O-CA 3.22Å; I152-I163 VanDerWaalsContact O-CB 3.32Å; I152-I163 WeakPolarHBondContact O-CB 3.42Å; I152-I163 PolarHBondContact O-N 2.63Å; I152-I165 HydrophobicContact CB-CD1 4.4Å; I152-I165 HydrophobicContact CD1-CD1 3.36Å; I152-I165 HydrophobicContact CG1-CD1 3.66Å; I152-M418 HydrophobicContact CD1-CB 3.77Å; I152-M418 WeakPolarHBondContact CD1-O 3.44Å; I152-M418 HydrophobicContact CG2-CB 4.38Å; I152-M418 HydrophobicContact CG2-CE 3.92Å; I152-T419 HydrophobicContact CD1-CG2 3.58Å |
| 153 | T | 54.1 | Low | 52.7 | Low | 43 Ų | 43 | 76.2 Ų | 76.2 | 26% | 0.264 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.4 | 170 | -56 | 0 | 0 | 0 | 0 | 108.1 | N160 L161 I162 | T153-N160 HydrophobicContact CG2-CB 4.05Å; T153-L161 CarbonylContact C-O 3.58Å; T153-L161 WeakPolarHBondContact CA-O 3.45Å; T153-I162 HydrophobicContact CG2-CG1 4.06Å |
| 154 | I | 61.5 | Low | 52.2 | Low | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.7 | 176.7 | -52.9 | -172.6 | 0 | 0 | 0 | 107.2 | I152 L156 L161 I163 F185 Y350 V398 M418 | I152-I154 HydrophobicContact CG2-CD1 4.05Å; I152-I154 HydrophobicContact CG2-CG1 3.61Å; I154-L156 HydrophobicContact CG2-CD2 3.91Å; I154-L156 HydrophobicContact CG2-CG 4.29Å; I154-L156 PolarHBondContact O-N 3.4Å; I154-L161 PolarHBondContact N-O 3.02Å; I154-L161 WeakPolarHBondContact O-CA 3.49Å; I154-L161 WeakPolarHBondContact O-CB 3.44Å; I154-L161 PolarHBondContact O-N 3.45Å; I154-L161 VanDerWaalsContact O-O 3.1Å; I154-I163 HydrophobicContact CB-CD1 4.48Å; I154-I163 HydrophobicContact CD1-CD1 3.59Å; I154-I163 HydrophobicContact CG1-CD1 3.99Å; I154-F185 HydrophobicContact CG2-CD2 4.37Å; I154-F185 HydrophobicContact CG2-CE2 4.42Å; I154-Y350 HydrophobicContact CG2-CD2 4.06Å; I154-V398 HydrophobicContact CD1-CG1 4.14Å; I154-V398 HydrophobicContact CD1-CG2 3.72Å; I154-V398 HydrophobicContact CG2-CG2 4.28Å; I154-M418 HydrophobicContact CD1-CB 4.43Å; I154-M418 HydrophobicContact CD1-CE 4Å; I154-M418 HydrophobicContact CD1-CG 3.69Å; I154-M418 HydrophobicContact CD1-SD 4.29Å; I154-M418 HydrophobicContact CG1-CE 4.14Å |
| 155 | M | 56.4 | Low | 52.1 | Low | 42 Ų | 42 | 73.1 Ų | 73.1 | 21% | 0.207 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 106.7 | 172.1 | -78.4 | -156.5 | -62.7 | 0 | 0 | 110.2 | R159 N160 N184 | M155-R159 CarbonylContact C-O 3.55Å; M155-R159 WeakPolarHBondContact CA-O 3.31Å; M155-N160 WeakPolarHBondContact CG-OD1 3.4Å; M155-N160 PolarHBondContact SD-OD1 3.02Å; M155-N184 WeakPolarHBondContact CE-OD1 3.4Å |
| 156 | L | 61.5 | Low | 52.3 | Low | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.6 | 170.2 | -60.6 | -175.2 | 0 | 0 | 0 | 108.6 | I154 G158 R159 L161 Y350 E396 V398 | I154-L156 HydrophobicContact CG2-CD2 3.91Å; I154-L156 HydrophobicContact CG2-CG 4.29Å; I154-L156 PolarHBondContact O-N 3.4Å; L156-G158 VanDerWaalsContact C-N 3.26Å; L156-G158 PolarHBondContact O-N 2.72Å; L156-R159 PolarHBondContact N-O 3.08Å; L156-R159 WeakPolarHBondContact O-CA 3.39Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 2.96Å; L156-L161 HydrophobicContact CD1-CB 4.38Å; L156-L161 HydrophobicContact CD1-CD2 3.51Å; L156-L161 HydrophobicContact CG-CB 4.35Å; L156-L161 HydrophobicContact CG-CD2 4.27Å; L156-Y350 HydrophobicContact CD2-CD2 3.8Å; L156-Y350 HydrophobicContact CD2-CE2 3.52Å; L156-E396 HydrophobicContact CD2-CB 4.18Å; L156-V398 HydrophobicContact CD1-CG2 3.99Å; L156-V398 HydrophobicContact CD2-CG2 4.17Å; L156-V398 HydrophobicContact CG-CG2 4.44Å |
| 157 | Y | 59.9 | Low | 52 | Low | 50 Ų | 50 | 75.9 Ų | 75.9 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32 | 175.8 | -46.1 | -70.3 | 0 | 0 | 0 | 114.9 | R159 R192 A193 E194 E396 | Y157-R159 PolarHBondContact O-N 2.81Å; Y157-R192 HydrophobicContact CD1-CB 3.49Å; Y157-R192 VanDerWaalsContact CD1-CB 3.49Å; Y157-R192 VanDerWaalsContact CE1-C 3.5Å; Y157-R192 HydrophobicContact CE1-CB 3.74Å; Y157-R192 VanDerWaalsContact N-NH2 3.14Å; Y157-A193 VanDerWaalsContact CE1-CA 3.41Å; Y157-A193 WeakPolarHBondContact CE1-O 3.37Å; Y157-A193 VanDerWaalsContact CZ-O 3.32Å; Y157-A193 PolarHBondContact OH-O 3.45Å; Y157-E194 HydrophobicContact CE2-CB 3.7Å; Y157-E194 HydrophobicContact CE2-CG 3.96Å; Y157-E194 VanDerWaalsContact CZ-CA 3.43Å; Y157-E194 VanDerWaalsContact CZ-N 3.26Å; Y157-E194 WeakPolarHBondContact OH-CA 3.26Å; Y157-E194 PolarHBondContact OH-N 2.86Å; Y157-E396 WeakPolarHBondContact CD1-OE2 3Å; Y157-E396 HydrophobicContact CE1-CB 4.34Å; Y157-E396 HydrophobicContact CE1-CG 4.05Å; Y157-E396 WeakPolarHBondContact CE1-OE2 3.26Å; Y157-E396 HydrophobicContact CE2-CB 4.47Å; Y157-E396 WeakPolarHBondContact OH-CA 3.33Å; Y157-E396 WeakPolarHBondContact OH-CB 3.44Å; Y157-E396 WeakPolarHBondContact OH-CG 3.29Å; Y157-E396 PolarHBondContact OH-N 3.16Å; Y157-E396 PolarHBondContact OH-O 2.88Å |
| 158 | G | 56.7 | Low | 51.9 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 9.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L156 | L156-G158 VanDerWaalsContact C-N 3.26Å; L156-G158 PolarHBondContact O-N 2.72Å |
| 159 | R | 54.9 | Low | 51.7 | Low | 200 Ų | 200 | 74 Ų | 74 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | 171.5 | -60.8 | 179.9 | 177.5 | 176.9 | 0 | 108.8 | M155 L156 Y157 L161 | M155-R159 CarbonylContact C-O 3.55Å; M155-R159 WeakPolarHBondContact CA-O 3.31Å; L156-R159 PolarHBondContact N-O 3.08Å; L156-R159 WeakPolarHBondContact O-CA 3.39Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 2.96Å; Y157-R159 PolarHBondContact O-N 2.81Å; R159-L161 PolarHBondContact O-N 3.14Å; R159-L161 VanDerWaalsContact O-N 3.14Å |
| 160 | N | 55.2 | Low | 51 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 108.3 | 170.3 | -69.7 | -33.9 | 0 | 0 | 0 | 109 | T153 M155 | T153-N160 HydrophobicContact CG2-CB 4.05Å; M155-N160 WeakPolarHBondContact CG-OD1 3.4Å; M155-N160 PolarHBondContact SD-OD1 3.02Å |
| 161 | L | 57.6 | Low | 50.1 | Low | 70 Ų | 70 | 82.5 Ų | 82.5 | 37% | 0.366 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.6 | 163.9 | -175.5 | 68.8 | 0 | 0 | 0 | 107.8 | T153 I154 L156 R159 I163 V398 | T153-L161 CarbonylContact C-O 3.58Å; T153-L161 WeakPolarHBondContact CA-O 3.45Å; I154-L161 PolarHBondContact N-O 3.02Å; I154-L161 WeakPolarHBondContact O-CA 3.49Å; I154-L161 WeakPolarHBondContact O-CB 3.44Å; I154-L161 PolarHBondContact O-N 3.45Å; I154-L161 VanDerWaalsContact O-O 3.1Å; L156-L161 HydrophobicContact CD1-CB 4.38Å; L156-L161 HydrophobicContact CD1-CD2 3.51Å; L156-L161 HydrophobicContact CG-CB 4.35Å; L156-L161 HydrophobicContact CG-CD2 4.27Å; R159-L161 PolarHBondContact O-N 3.14Å; R159-L161 VanDerWaalsContact O-N 3.14Å; L161-I163 HydrophobicContact CD2-CD1 3.94Å; L161-I163 HydrophobicContact CD2-CG1 3.94Å; L161-I163 HydrophobicContact CG-CD1 4.43Å; L161-I163 HydrophobicContact CG-CG1 3.94Å; L161-I163 PolarHBondContact O-N 2.92Å; L161-V398 HydrophobicContact CD2-CG2 4.46Å |
| 162 | I | 55.1 | Low | 49 | Very low | 75 Ų | 75 | 85.7 Ų | 85.7 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.3 | 172.9 | -59.5 | 172.9 | 0 | 0 | 0 | 107.5 | T153 | T153-I162 HydrophobicContact CG2-CG1 4.06Å |
| 163 | I | 55.9 | Low | 47.4 | Very low | 9 Ų | 9 | 93.9 Ų | 93.9 | 5% | 0.046 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.4 | 177 | -58.7 | -179.9 | 0 | 0 | 0 | 107.9 | K151 I152 I154 L161 I165 V348 V398 | K151-I163 CarbonylContact C-O 3.55Å; K151-I163 WeakPolarHBondContact CA-O 3.42Å; I152-I163 PolarHBondContact N-O 3.1Å; I152-I163 WeakPolarHBondContact O-CA 3.22Å; I152-I163 VanDerWaalsContact O-CB 3.32Å; I152-I163 WeakPolarHBondContact O-CB 3.42Å; I152-I163 PolarHBondContact O-N 2.63Å; I154-I163 HydrophobicContact CB-CD1 4.48Å; I154-I163 HydrophobicContact CD1-CD1 3.59Å; I154-I163 HydrophobicContact CG1-CD1 3.99Å; L161-I163 HydrophobicContact CD2-CD1 3.94Å; L161-I163 HydrophobicContact CD2-CG1 3.94Å; L161-I163 HydrophobicContact CG-CD1 4.43Å; L161-I163 HydrophobicContact CG-CG1 3.94Å; L161-I163 PolarHBondContact O-N 2.92Å; I163-I165 HydrophobicContact CG2-CG1 4.32Å; I163-V348 HydrophobicContact CD1-CG1 4.47Å; I163-V398 HydrophobicContact CD1-CB 3.88Å; I163-V398 HydrophobicContact CD1-CG1 3.4Å; I163-V398 VanDerWaalsContact CD1-CG1 3.4Å; I163-V398 HydrophobicContact CD1-CG2 3.94Å |
| 164 | Q | 50.9 | Low | 46 | Very low | 53 Ų | 53 | 101.4 Ų | 101.4 | 25% | 0.248 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.4 | 165.2 | -93.1 | -178 | -60.9 | 0 | 0 | 109.2 | K151 V169 | K151-Q164 HydrophobicContact CD-CG 4.05Å; K151-Q164 VanDerWaalsContact CE-CD 3.42Å; K151-Q164 VanDerWaalsContact CE-CG 3.43Å; K151-Q164 HydrophobicContact CG-CG 3.56Å; Q164-V169 HydrophobicContact CB-CG2 4.29Å |
| 165 | I | 49.7 | Very low | 44.2 | Very low | 29 Ų | 29 | 105.1 Ų | 105.1 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | trans | -86.5 | 110.4 | 168.2 | -62.7 | 154.4 | 0 | 0 | 0 | 107.1 | L149 D150 I152 I163 V348 T419 | L149-I165 WeakPolarHBondContact CD2-O 3.2Å; D150-I165 HydrophobicContact CB-CD1 4.33Å; D150-I165 WeakPolarHBondContact O-CB 3.45Å; D150-I165 WeakPolarHBondContact O-CD1 3.16Å; D150-I165 PolarHBondContact O-N 3.33Å; I152-I165 HydrophobicContact CB-CD1 4.4Å; I152-I165 HydrophobicContact CD1-CD1 3.36Å; I152-I165 HydrophobicContact CG1-CD1 3.66Å; I163-I165 HydrophobicContact CG2-CG1 4.32Å; I165-V348 HydrophobicContact CD1-CG2 4.34Å; I165-V348 HydrophobicContact CG1-CG2 3.92Å; I165-T419 HydrophobicContact CD1-CG2 3.21Å; I165-T419 HydrophobicContact CG1-CG2 4.34Å | ||
| 166 | G | 47.4 | Very low | 42.8 | Very low | 30 Ų | 30 | 110.5 Ų | 110.5 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | S | Bend | trans | 175.2 | 164.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K168 | G166-K168 PolarHBondContact O-N 2.97Å; G166-K168 VanDerWaalsContact O-N 3.15Å |
| 167 | E | 38.4 | Very low | 41.1 | Very low | 198 Ų | 198 | 117.8 Ų | 117.8 | 93% | 0.925 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 117.8 | -178.7 | -78.1 | -177.2 | 149.2 | 0 | 0 | 111.9 | ||
| 168 | K | 34.4 | Very low | 39.7 | Very low | 205 Ų | 205 | 121.7 Ų | 121.7 | 89% | 0.891 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.5 | 77.4 | 167.8 | -78.6 | -179.3 | 174.7 | 172.1 | 0 | 115.3 | G166 R170 | G166-K168 PolarHBondContact O-N 2.97Å; G166-K168 VanDerWaalsContact O-N 3.15Å; K168-R170 PolarHBondContact O-N 3.4Å |
| 169 | V | 33.6 | Very low | 38.7 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 39% | 0.394 | 60% | 0.603 | S | S | . | * | trans | -95 | 81 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | Q164 F172 | Q164-V169 HydrophobicContact CB-CG2 4.29Å; V169-F172 HydrophobicContact CG1-CD2 3.07Å; V169-F172 HydrophobicContact CG1-CE2 3.36Å; V169-F172 HydrophobicContact CG1-CG 4.19Å | ||
| 170 | R | 28.5 | Very low | 37.7 | Very low | 227 Ų | 227 | 121.3 Ų | 121.3 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | trans | -80.7 | 119.5 | 160.1 | -76.6 | -175 | 177.5 | -178.7 | -0.8 | 107.7 | K168 | K168-R170 PolarHBondContact O-N 3.4Š| ||
| 171 | N | 27.8 | Very low | 37.1 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | trans | 79.8 | 104 | 172.9 | -49.6 | -41.1 | 0 | 0 | 0 | 116.4 | ||||
| 172 | F | 29.7 | Very low | 36.5 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | trans | -128.9 | 123.4 | 159.6 | -97.8 | -97 | 0 | 0 | 0 | 113.3 | V169 | V169-F172 HydrophobicContact CG1-CD2 3.07Å; V169-F172 HydrophobicContact CG1-CE2 3.36Å; V169-F172 HydrophobicContact CG1-CG 4.19Å | ||
| 173 | K | 25.3 | Very low | 36.4 | Very low | 194 Ų | 194 | 121.2 Ų | 121.2 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | trans | -81.9 | 140.5 | 156.3 | -92.4 | 176.5 | 171.5 | 175.8 | 0 | 108.5 | ||||
| 174 | F | 26.2 | Very low | 36.8 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 88% | 0.882 | 62% | 0.618 | S | S | * | * | trans | -28.5 | 125.3 | 178.5 | -68.8 | -95 | 0 | 0 | 0 | 116.7 | ||||
| 175 | C | 23.7 | Very low | 38 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | trans | -144.9 | 135.5 | 157.8 | -89.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 176 | I | 26.2 | Very low | 39.2 | Very low | 156 Ų | 156 | 120 Ų | 120 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | trans | -92.4 | 117.7 | -169.4 | -60.6 | 168 | 0 | 0 | 0 | 109.7 | ||||
| 177 | F | 26.1 | Very low | 40.7 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | trans | -152 | 150.4 | 164.1 | -69.7 | -77.6 | 0 | 0 | 0 | 110 | ||||
| 178 | T | 30 | Very low | 42.6 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | trans | -109.9 | 131.4 | -163.3 | -40 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 179 | V | 35.2 | Very low | 44.9 | Very low | 118 Ų | 118 | 107.1 Ų | 107.1 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | trans | -153.5 | 124.3 | 141.1 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | D181 | V179-D181 PolarHBondContact O-N 3.25Š| ||
| 180 | V | 34.8 | Very low | 47.2 | Very low | 135 Ų | 135 | 109.8 Ų | 109.8 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -6.6 | 91.4 | 151.7 | -161.9 | 0 | 0 | 0 | 0 | 119.1 | ||
| 181 | D | 42 | Very low | 49.9 | Very low | 85 Ų | 85 | 103.6 Ų | 103.6 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | -168.4 | 84.1 | 128.2 | -157.5 | 1.2 | 0 | 0 | 0 | 106.5 | V179 A183 | V179-D181 PolarHBondContact O-N 3.25Å; D181-A183 PolarHBondContact O-N 3.46Å | |||
| 182 | Q | 46.1 | Very low | 52.7 | Low | 150 Ų | 150 | 99 Ų | 99 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | trans | -71 | 80.5 | 173.7 | -79.6 | -174.6 | -12.4 | 0 | 0 | 107.9 | N184 | Q182-N184 VanDerWaalsContact C-N 3.35Å; Q182-N184 PolarHBondContact O-N 3.18Å | ||
| 183 | A | 53.6 | Low | 55.5 | Low | 15 Ų | 15 | 93.9 Ų | 93.9 | 12% | 0.124 | 49% | 0.491 | C | S | . | . | trans | -70.3 | 100 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | D181 F185 | D181-A183 PolarHBondContact O-N 3.46Å; A183-F185 HydrophobicContact CB-CD1 4.45Å; A183-F185 HydrophobicContact CB-CD2 3.62Å; A183-F185 HydrophobicContact CB-CE1 4.07Å; A183-F185 HydrophobicContact CB-CE2 3.16Å; A183-F185 HydrophobicContact CB-CG 4.25Å; A183-F185 HydrophobicContact CB-CZ 3.41Å; A183-F185 VanDerWaalsContact CB-CZ 3.41Å; A183-F185 WeakPolarHBondContact O-CD2 3.39Å; A183-F185 PolarHBondContact O-N 3.24Å | ||
| 184 | N | 63.4 | Low | 58.6 | Low | 63 Ų | 63 | 90.3 Ų | 90.3 | 34% | 0.337 | 48% | 0.478 | S | S | . | . | trans | -75.3 | 50.7 | 176.5 | -80 | -26.9 | 0 | 0 | 0 | 110.4 | M155 Q182 C186 F187 | M155-N184 WeakPolarHBondContact CE-OD1 3.4Å; Q182-N184 VanDerWaalsContact C-N 3.35Å; Q182-N184 PolarHBondContact O-N 3.18Å; N184-C186 PolarHBondContact O-N 2.92Å; N184-F187 HydrophobicContact CB-CB 3.82Å; N184-F187 HydrophobicContact CB-CG 4.33Å; N184-F187 WeakPolarHBondContact O-CB 3.12Å; N184-F187 PolarHBondContact O-N 3.36Å | ||
| 185 | F | 76 | Confident | 61.8 | Low | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.009 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134 | 179.7 | -60.5 | -72 | 0 | 0 | 0 | 110.2 | I154 A183 F187 R192 Y350 A379 Y414 K416 M418 | I154-F185 HydrophobicContact CG2-CD2 4.37Å; I154-F185 HydrophobicContact CG2-CE2 4.42Å; A183-F185 HydrophobicContact CB-CD1 4.45Å; A183-F185 HydrophobicContact CB-CD2 3.62Å; A183-F185 HydrophobicContact CB-CE1 4.07Å; A183-F185 HydrophobicContact CB-CE2 3.16Å; A183-F185 HydrophobicContact CB-CG 4.25Å; A183-F185 HydrophobicContact CB-CZ 3.41Å; A183-F185 VanDerWaalsContact CB-CZ 3.41Å; A183-F185 WeakPolarHBondContact O-CD2 3.39Å; A183-F185 PolarHBondContact O-N 3.24Å; F185-F187 PolarHBondContact O-N 2.89Å; F185-R192 PolarHBondContact O-NH2 2.79Å; F185-Y350 HydrophobicContact CB-CD1 4.3Å; F185-Y350 HydrophobicContact CB-CE1 3.54Å; F185-Y350 HydrophobicContact CB-CE2 4.1Å; F185-Y350 VanDerWaalsContact CB-CZ 3.4Å; F185-Y350 WeakPolarHBondContact CB-OH 3.4Å; F185-Y350 AromaticContact CD1-CD1 3.73Å; F185-Y350 HydrophobicContact CD1-CD1 3.73Å; F185-Y350 AromaticContact CD1-CE1 3.62Å; F185-Y350 HydrophobicContact CD1-CE1 3.62Å; F185-Y350 AromaticContact CD2-CD1 3.85Å; F185-Y350 HydrophobicContact CD2-CD1 3.85Å; F185-Y350 HydrophobicContact CD2-CD2 4.05Å; F185-Y350 AromaticContact CD2-CE1 3.95Å; F185-Y350 HydrophobicContact CD2-CE1 3.95Å; F185-Y350 HydrophobicContact CD2-CE2 4.12Å; F185-Y350 AromaticContact CD2-CG 3.89Å; F185-Y350 HydrophobicContact CD2-CG 3.89Å; F185-Y350 AromaticContact CE1-CD1 3.89Å; F185-Y350 HydrophobicContact CE1-CD1 3.89Å; F185-Y350 HydrophobicContact CE1-CE1 4.24Å; F185-Y350 AromaticContact CE2-CD1 3.97Å; F185-Y350 HydrophobicContact CE2-CD1 3.97Å; F185-Y350 HydrophobicContact CE2-CD2 4.36Å; F185-Y350 AromaticContact CE2-CG 3.87Å; F185-Y350 HydrophobicContact CE2-CG 3.87Å; F185-Y350 AromaticContact CG-CD1 3.72Å; F185-Y350 HydrophobicContact CG-CD1 3.72Å; F185-Y350 HydrophobicContact CG-CD2 4.5Å; F185-Y350 AromaticContact CG-CE1 3.45Å; F185-Y350 HydrophobicContact CG-CE1 3.45Å; F185-Y350 VanDerWaalsContact CG-CE1 3.45Å; F185-Y350 HydrophobicContact CG-CE2 4.25Å; F185-Y350 HydrophobicContact CG-CG 4.24Å; F185-Y350 AromaticContact CG-CZ 3.73Å; F185-Y350 AromaticContact CZ-CD1 3.99Å; F185-Y350 HydrophobicContact CZ-CD1 3.99Å; F185-Y350 HydrophobicContact CZ-CG 4.23Å; F185-A379 HydrophobicContact CD1-CB 4.42Å; F185-A379 HydrophobicContact CE1-CB 4.39Å; F185-Y414 HydrophobicContact CD1-CE1 4.25Å; F185-Y414 HydrophobicContact CE1-CE1 4.18Å; F185-K416 HydrophobicContact CE1-CB 4.15Å; F185-K416 HydrophobicContact CE1-CD 3.63Å; F185-K416 HydrophobicContact CE1-CG 4.45Å; F185-K416 HydrophobicContact CZ-CB 4.25Å; F185-K416 HydrophobicContact CZ-CD 3.74Å; F185-K416 HydrophobicContact CZ-CG 4.38Å; F185-M418 HydrophobicContact CE2-CE 4.08Å; F185-M418 HydrophobicContact CE2-SD 3.98Å; F185-M418 HydrophobicContact CZ-CE 4.27Å; F185-M418 HydrophobicContact CZ-SD 3.81Å |
| 186 | C | 75.5 | Confident | 65.2 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 21.1 | 177.5 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | N184 G188 I189 Y350 C352 M378 V394 | N184-C186 PolarHBondContact O-N 2.92Å; C186-G188 PolarHBondContact O-N 2.99Å; C186-I189 HydrophobicContact CB-CD1 3.94Å; C186-I189 HydrophobicContact CB-CG1 4.44Å; C186-I189 WeakPolarHBondContact O-CB 3.43Å; C186-I189 PolarHBondContact O-N 3.48Å; C186-Y350 PolarHBondContact SG-OH 3.21Å; C186-C352 VanDerWaalsContact SG-SG 3.68Å; C186-M378 PolarHBondContact N-O 3.07Å; C186-V394 HydrophobicContact CB-CG1 4.4Å |
| 187 | F | 77.5 | Confident | 68.6 | Low | 131 Ų | 131 | 78.4 Ų | 78.4 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 138 | 178 | 179.9 | -95.2 | 0 | 0 | 0 | 109.9 | N184 F185 I189 F383 | N184-F187 HydrophobicContact CB-CB 3.82Å; N184-F187 HydrophobicContact CB-CG 4.33Å; N184-F187 WeakPolarHBondContact O-CB 3.12Å; N184-F187 PolarHBondContact O-N 3.36Å; F185-F187 PolarHBondContact O-N 2.89Å; F187-I189 VanDerWaalsContact C-N 3.3Å; F187-I189 PolarHBondContact O-N 3.42Å; F187-F383 WeakPolarHBondContact O-CE2 3.45Å; F187-F383 WeakPolarHBondContact O-CZ 3.11Å |
| 188 | G | 78.8 | Confident | 72 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -6.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C186 R390 | C186-G188 PolarHBondContact O-N 2.99Å; G188-R390 PolarHBondContact O-NH1 3.27Å |
| 189 | I | 82 | Confident | 75.3 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | trans | -80.4 | 131.7 | 169.1 | -57.4 | -176 | 0 | 0 | 0 | 109.5 | C186 F187 R192 M378 F383 L389 V394 | C186-I189 HydrophobicContact CB-CD1 3.94Å; C186-I189 HydrophobicContact CB-CG1 4.44Å; C186-I189 WeakPolarHBondContact O-CB 3.43Å; C186-I189 PolarHBondContact O-N 3.48Å; F187-I189 VanDerWaalsContact C-N 3.3Å; F187-I189 PolarHBondContact O-N 3.42Å; I189-R192 HydrophobicContact CB-CG 4.34Å; I189-R192 HydrophobicContact CG2-CG 4.24Å; I189-R192 VanDerWaalsContact O-CD 3.3Å; I189-R192 WeakPolarHBondContact O-CD 3.48Å; I189-M378 HydrophobicContact CD1-CE 3.87Å; I189-M378 HydrophobicContact CD1-SD 4.48Å; I189-F383 HydrophobicContact CG1-CE1 4.05Å; I189-F383 HydrophobicContact CG1-CZ 3.85Å; I189-L389 HydrophobicContact CD1-CD1 4.21Å; I189-L389 HydrophobicContact CD1-CD2 4.03Å; I189-L389 HydrophobicContact CD1-CG 3.87Å; I189-L389 HydrophobicContact CG1-CD2 4.45Å; I189-L389 HydrophobicContact CG1-CG 4.27Å; I189-V394 HydrophobicContact CD1-CG2 3.72Å; I189-V394 HydrophobicContact CG2-CB 4.39Å; I189-V394 HydrophobicContact CG2-CG2 3.78Å | ||
| 190 | N | 82 | Confident | 78.1 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 65% | 0.652 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -85.4 | -38.6 | -170.9 | -63.5 | -39.4 | 0 | 0 | 0 | 113.5 | R192 R390 | N190-R192 PolarHBondContact O-N 2.83Å; N190-R390 PolarHBondContact ND2-O 2.98Å |
| 191 | L | 85.5 | Confident | 81.1 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 82.6 | -172.6 | -61.4 | 179.1 | 0 | 0 | 0 | 110.4 | R393 V394 | L191-R393 HydrophobicContact CB-CG 4.27Å; L191-R393 HydrophobicContact CD1-CG 3.98Å; L191-R393 WeakPolarHBondContact O-CA 3.46Å; L191-V394 PolarHBondContact O-N 3.32Å |
| 192 | R | 87.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.8 | -178.5 | -59.5 | 170.5 | 60.2 | 169.9 | 6.7 | 110.7 | Y157 F185 I189 N190 V394 E396 | Y157-R192 HydrophobicContact CD1-CB 3.49Å; Y157-R192 VanDerWaalsContact CD1-CB 3.49Å; Y157-R192 VanDerWaalsContact CE1-C 3.5Å; Y157-R192 HydrophobicContact CE1-CB 3.74Å; Y157-R192 VanDerWaalsContact N-NH2 3.14Å; F185-R192 PolarHBondContact O-NH2 2.79Å; I189-R192 HydrophobicContact CB-CG 4.34Å; I189-R192 HydrophobicContact CG2-CG 4.24Å; I189-R192 VanDerWaalsContact O-CD 3.3Å; I189-R192 WeakPolarHBondContact O-CD 3.48Å; N190-R192 PolarHBondContact O-N 2.83Å; R192-V394 CarbonylContact C-O 3.55Å; R192-V394 VanDerWaalsContact CA-O 3.3Å; R192-V394 WeakPolarHBondContact CA-O 3.44Å; R192-V394 HydrophobicContact CG-CB 4.49Å; R192-E396 IonicContact CZ-OE1 3.86Å; R192-E396 IonicContact CZ-OE2 3.75Å; R192-E396 IonicContact NE-OE1 3Å; R192-E396 IonicContact NE-OE2 3.38Å; R192-E396 PolarHBondContact NE-OE2 2.74Å; R192-E396 IonicContact NH2-OE1 3.76Å; R192-E396 PolarHBondContact NH2-OE1 3.28Å; R192-E396 IonicContact NH2-OE2 2.64Å; R192-E396 PolarHBondContact NH2-OE2 3.3Å |
| 193 | A | 88.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 58 Ų | 58 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y157 V394 Y395 E396 | Y157-A193 VanDerWaalsContact CE1-CA 3.41Å; Y157-A193 WeakPolarHBondContact CE1-O 3.37Å; Y157-A193 VanDerWaalsContact CZ-O 3.32Å; Y157-A193 PolarHBondContact OH-O 3.45Å; A193-V394 PolarHBondContact N-O 2.8Å; A193-Y395 HydrophobicContact CB-CD1 4.13Å; A193-Y395 HydrophobicContact CB-CE1 4.17Å; A193-Y395 WeakPolarHBondContact O-CA 3.18Å; A193-E396 PolarHBondContact O-N 3.24Å |
| 194 | E | 89.3 | Confident | 88.2 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.6 | 178.8 | -159.1 | 175 | 170.8 | 0 | 0 | 113.1 | Y157 K196 | Y157-E194 HydrophobicContact CE2-CB 3.7Å; Y157-E194 HydrophobicContact CE2-CG 3.96Å; Y157-E194 VanDerWaalsContact CZ-CA 3.43Å; Y157-E194 VanDerWaalsContact CZ-N 3.26Å; Y157-E194 WeakPolarHBondContact OH-CA 3.26Å; Y157-E194 PolarHBondContact OH-N 2.86Å; E194-K196 PolarHBondContact O-N 2.85Å |
| 195 | V | 93.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -62 | 127.4 | 167.6 | -179 | 0 | 0 | 0 | 0 | 107.8 | R197 P218 V220 L353 E396 T397 L405 | V195-R197 PolarHBondContact O-N 3.44Å; V195-P218 HydrophobicContact CG1-CB 4.25Å; V195-P218 HydrophobicContact CG1-CG 4.49Å; V195-V220 HydrophobicContact CG1-CG2 4.15Å; V195-L353 HydrophobicContact CG2-CD1 3.81Å; V195-E396 PolarHBondContact N-O 3.4Å; V195-E396 VanDerWaalsContact N-O 3.13Å; V195-T397 HydrophobicContact CB-CG2 4.38Å; V195-T397 HydrophobicContact CG2-CG2 4.12Å; V195-L405 HydrophobicContact CG1-CD1 4.11Å |
| 196 | K | 95.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 62 Ų | 62 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 140 | 179 | -174.4 | 178.8 | 174.4 | -165.9 | 0 | 109.9 | E194 I198 Y210 V219 V220 | E194-K196 PolarHBondContact O-N 2.85Å; K196-I198 HydrophobicContact CD-CG2 4.36Å; K196-I198 HydrophobicContact CG-CG2 4.27Å; K196-Y210 WeakPolarHBondContact CE-OH 3.41Å; K196-Y210 PolarHBondContact NZ-OH 3.41Å; K196-V219 HydrophobicContact CB-CG2 4.42Å; K196-V219 WeakPolarHBondContact O-CA 3.43Å; K196-V219 VanDerWaalsContact O-CG2 3.25Å; K196-V219 WeakPolarHBondContact O-CG2 3.47Å; K196-V220 PolarHBondContact O-N 3.47Å |
| 197 | R | 97.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135 | 173.7 | -49.3 | -173.9 | 62.8 | 100.2 | -2.2 | 109.6 | V195 V220 E222 V398 D403 | V195-R197 PolarHBondContact O-N 3.44Å; R197-V220 CarbonylContact C-O 3.5Å; R197-V220 WeakPolarHBondContact CA-O 3.48Å; R197-V220 HydrophobicContact CB-CB 4.4Å; R197-V220 HydrophobicContact CG-CB 4.05Å; R197-V220 HydrophobicContact CG-CG2 4.42Å; R197-E222 IonicContact CZ-OE1 2.66Å; R197-E222 VanDerWaalsContact CZ-OE1 3.27Å; R197-E222 IonicContact NE-OE1 2.7Å; R197-E222 PolarHBondContact NE-OE1 3.34Å; R197-E222 IonicContact NH2-OE1 3.68Å; R197-E222 PolarHBondContact NH2-OE1 2.94Å; R197-V398 PolarHBondContact NH1-O 3.18Å; R197-V398 VanDerWaalsContact NH1-O 3.08Å; R197-D403 IonicContact CZ-OD2 3.97Å; R197-D403 IonicContact NH1-OD2 3.79Å; R197-D403 PolarHBondContact NH1-OD2 3.43Å; R197-D403 IonicContact NH2-OD1 2.9Å; R197-D403 PolarHBondContact NH2-OD1 2.96Å; R197-D403 IonicContact NH2-OD2 3.83Å; R197-D403 PolarHBondContact NH2-OD2 2.9Å |
| 198 | I | 97.8 | Very high | 92.7 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.1 | 178.1 | 62.2 | -179.7 | 0 | 0 | 0 | 109.9 | K196 P201 Y210 V219 V220 I221 E222 | K196-I198 HydrophobicContact CD-CG2 4.36Å; K196-I198 HydrophobicContact CG-CG2 4.27Å; I198-P201 HydrophobicContact CD1-CB 3.91Å; I198-P201 HydrophobicContact CD1-CG 3.62Å; I198-P201 HydrophobicContact CG1-CG 4.26Å; I198-Y210 HydrophobicContact CD1-CD2 4.35Å; I198-Y210 HydrophobicContact CD1-CE2 3.51Å; I198-V219 HydrophobicContact CD1-CG1 4.49Å; I198-V219 HydrophobicContact CD1-CG2 3.73Å; I198-V219 HydrophobicContact CG1-CG2 3.7Å; I198-V219 HydrophobicContact CG2-CG2 4.24Å; I198-V220 PolarHBondContact N-O 3.5Å; I198-I221 HydrophobicContact CD1-CG1 4.4Å; I198-I221 HydrophobicContact CG1-CG1 4.25Å; I198-I221 WeakPolarHBondContact O-CA 3.3Å; I198-E222 PolarHBondContact O-N 3.06Å |
| 199 | H | 97.9 | Very high | 93.5 | Very high | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.606 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.6 | -179.1 | -168.5 | 74.2 | 0 | 0 | 0 | 110.4 | E222 | H199-E222 PolarHBondContact ND1-O 2.94Å |
| 200 | C | 95.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 47% | 0.473 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 36 | 61.5 | 172.4 | -162.6 | 0 | 0 | 0 | 0 | 114.6 | E222 | C200-E222 PolarHBondContact N-O 2.88Š|
| 201 | P | 97.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.032 | 31% | 0.308 | C | S | . | . | trans | -59.7 | 149.6 | 177.3 | 29.8 | -36.6 | 0 | 0 | 0 | 110.6 | I198 Q205 F206 I221 Y308 | I198-P201 HydrophobicContact CD1-CB 3.91Å; I198-P201 HydrophobicContact CD1-CG 3.62Å; I198-P201 HydrophobicContact CG1-CG 4.26Å; P201-Q205 HydrophobicContact CB-CB 4.18Å; P201-Q205 HydrophobicContact CB-CG 4.22Å; P201-F206 HydrophobicContact CG-CB 4.26Å; P201-I221 HydrophobicContact CG-CD1 4.34Å; P201-I221 HydrophobicContact CG-CG1 4.46Å; P201-I221 HydrophobicContact CG-CG2 4.25Å; P201-Y308 WeakPolarHBondContact CD-OH 3.28Å; P201-Y308 HydrophobicContact CG-CE1 4.07Å; P201-Y308 WeakPolarHBondContact O-CE1 3.35Å; P201-Y308 PolarHBondContact O-OH 3.15Å; P201-Y308 VanDerWaalsContact O-OH 3.05Å | ||
| 202 | S | 97.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -65.1 | 156.1 | 169.6 | 70 | 0 | 0 | 0 | 0 | 110.5 | T204 Q205 F206 | S202-T204 PolarHBondContact O-N 2.8Å; S202-Q205 WeakPolarHBondContact O-CA 3.39Å; S202-Q205 WeakPolarHBondContact O-CB 3.27Å; S202-Q205 PolarHBondContact O-N 2.9Å; S202-Q205 WeakPolarHBondContact OG-CB 3.26Å; S202-Q205 PolarHBondContact OG-N 3.02Å; S202-F206 PolarHBondContact O-N 2.77Å | ||
| 203 | M | 96.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -50.7 | -45.7 | 174.9 | -68.8 | -64.6 | -80.3 | 0 | 0 | 112.1 | Q205 F206 D207 E307 Y308 L311 | M203-Q205 VanDerWaalsContact C-N 3.33Å; M203-Q205 PolarHBondContact O-N 3.32Å; M203-F206 PolarHBondContact O-N 3.08Å; M203-D207 WeakPolarHBondContact O-CB 3.5Å; M203-D207 PolarHBondContact O-N 3.02Å; M203-E307 HydrophobicContact CE-CB 4.36Å; M203-E307 WeakPolarHBondContact CE-O 3.48Å; M203-E307 HydrophobicContact SD-CB 4.02Å; M203-Y308 HydrophobicContact SD-CD1 3.53Å; M203-Y308 VanDerWaalsContact SD-CD1 3.53Å; M203-Y308 HydrophobicContact SD-CE1 4.03Å; M203-Y308 HydrophobicContact SD-CG 4.25Å; M203-L311 HydrophobicContact CB-CD2 4.42Å; M203-L311 HydrophobicContact CE-CD1 4.18Å; M203-L311 HydrophobicContact CE-CD2 3.74Å; M203-L311 HydrophobicContact CE-CG 3.53Å |
| 204 | T | 96.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 176.5 | -50 | 0 | 0 | 0 | 0 | 113.1 | S202 R208 | S202-T204 PolarHBondContact O-N 2.8Å; T204-R208 WeakPolarHBondContact O-CB 3.29Å; T204-R208 PolarHBondContact O-N 3.16Å |
| 205 | Q | 96.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 66.7 Ų | 66.7 | 29% | 0.29 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -48.3 | 176.7 | -175.8 | -175.5 | -4.8 | 0 | 0 | 110.6 | P201 S202 M203 D207 R208 E209 | P201-Q205 HydrophobicContact CB-CB 4.18Å; P201-Q205 HydrophobicContact CB-CG 4.22Å; S202-Q205 WeakPolarHBondContact O-CA 3.39Å; S202-Q205 WeakPolarHBondContact O-CB 3.27Å; S202-Q205 PolarHBondContact O-N 2.9Å; S202-Q205 WeakPolarHBondContact OG-CB 3.26Å; S202-Q205 PolarHBondContact OG-N 3.02Å; M203-Q205 VanDerWaalsContact C-N 3.33Å; M203-Q205 PolarHBondContact O-N 3.32Å; Q205-D207 VanDerWaalsContact C-N 3.31Å; Q205-D207 PolarHBondContact O-N 3.18Å; Q205-R208 PolarHBondContact O-N 3.32Å; Q205-E209 HydrophobicContact CG-CG 4.34Å; Q205-E209 PolarHBondContact NE2-OE2 3.31Å; Q205-E209 VanDerWaalsContact NE2-OE2 3.1Å; Q205-E209 VanDerWaalsContact O-CB 3.28Å; Q205-E209 WeakPolarHBondContact O-CB 3.39Å; Q205-E209 PolarHBondContact O-N 3.17Å |
| 206 | F | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 178.8 | 178.2 | -99.3 | 0 | 0 | 0 | 111.2 | P201 S202 M203 Y210 L211 V219 I221 Y308 L311 L341 F406 | P201-F206 HydrophobicContact CG-CB 4.26Å; S202-F206 PolarHBondContact O-N 2.77Å; M203-F206 PolarHBondContact O-N 3.08Å; F206-Y210 HydrophobicContact CD2-CD2 4.17Å; F206-Y210 HydrophobicContact CD2-CG 4.5Å; F206-Y210 WeakPolarHBondContact O-CB 3.43Å; F206-Y210 PolarHBondContact O-N 3.01Å; F206-L211 HydrophobicContact CD1-CB 4.27Å; F206-L211 HydrophobicContact CE1-CB 3.89Å; F206-L211 HydrophobicContact CE1-CD2 4.4Å; F206-L211 PolarHBondContact O-N 3.24Å; F206-L211 VanDerWaalsContact O-N 3.11Å; F206-V219 HydrophobicContact CE2-CG1 4.45Å; F206-I221 HydrophobicContact CD2-CD1 3.68Å; F206-I221 HydrophobicContact CE2-CD1 3.66Å; F206-Y308 HydrophobicContact CB-CD1 3.7Å; F206-Y308 HydrophobicContact CB-CE1 3.85Å; F206-Y308 AromaticContact CD1-CD1 3.69Å; F206-Y308 HydrophobicContact CD1-CD1 3.69Å; F206-Y308 HydrophobicContact CD1-CG 4.05Å; F206-Y308 HydrophobicContact CD2-CD1 4.25Å; F206-Y308 HydrophobicContact CE1-CD1 4.4Å; F206-Y308 HydrophobicContact CE1-CG 4.32Å; F206-Y308 AromaticContact CG-CD1 3.59Å; F206-Y308 HydrophobicContact CG-CD1 3.59Å; F206-Y308 HydrophobicContact CG-CE1 4.11Å; F206-Y308 HydrophobicContact CG-CG 4.18Å; F206-L311 HydrophobicContact CD1-CD1 3.65Å; F206-L311 HydrophobicContact CE1-CD1 4.22Å; F206-L341 HydrophobicContact CZ-CD2 4.29Å; F206-F406 HydrophobicContact CE2-CB 4.02Å; F206-F406 HydrophobicContact CE2-CD1 4.08Å; F206-F406 HydrophobicContact CE2-CD2 4.35Å; F206-F406 AromaticContact CE2-CG 3.89Å; F206-F406 HydrophobicContact CE2-CG 3.89Å; F206-F406 HydrophobicContact CZ-CB 4.24Å; F206-F406 HydrophobicContact CZ-CD1 4.08Å; F206-F406 AromaticContact CZ-CD2 3.74Å; F206-F406 HydrophobicContact CZ-CD2 3.74Å; F206-F406 HydrophobicContact CZ-CE1 4.36Å; F206-F406 HydrophobicContact CZ-CE2 4.06Å; F206-F406 AromaticContact CZ-CG 3.75Å; F206-F406 HydrophobicContact CZ-CG 3.75Å; F206-F406 HydrophobicContact CZ-CZ 4.36Å |
| 207 | D | 95.8 | Very high | 94.6 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -55.4 | -55.5 | 178.1 | -173.2 | 49.1 | 0 | 0 | 0 | 112.3 | M203 Q205 L211 H212 L311 | M203-D207 WeakPolarHBondContact O-CB 3.5Å; M203-D207 PolarHBondContact O-N 3.02Å; Q205-D207 VanDerWaalsContact C-N 3.31Å; Q205-D207 PolarHBondContact O-N 3.18Å; D207-L211 PolarHBondContact O-N 3.04Å; D207-H212 PolarHBondContact O-N 3.12Å; D207-H212 IonicContact OD1-CE1 3.73Å; D207-H212 PolarHBondContact OD1-CE1 3.23Å; D207-H212 IonicContact OD1-CG 3.76Å; D207-H212 IonicContact OD1-ND1 3.35Å; D207-H212 PolarHBondContact OD1-ND1 3.14Å; D207-H212 IonicContact OD2-ND1 3.19Å; D207-L311 HydrophobicContact CB-CD1 3.86Å; D207-L311 HydrophobicContact CB-CD2 4.24Å |
| 208 | R | 95.2 | Very high | 94.6 | Very high | 153 Ų | 153 | 64.7 Ų | 64.7 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -69.7 | -41.9 | -176.3 | -177.7 | -173.6 | 66.1 | -142.9 | -2.4 | 113.3 | T204 Q205 | T204-R208 WeakPolarHBondContact O-CB 3.29Å; T204-R208 PolarHBondContact O-N 3.16Å; Q205-R208 PolarHBondContact O-N 3.32Å |
| 209 | E | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -91.2 | -19.2 | -169.3 | -67.7 | 176.2 | -162.2 | 0 | 0 | 113.5 | Q205 S213 | Q205-E209 HydrophobicContact CG-CG 4.34Å; Q205-E209 PolarHBondContact NE2-OE2 3.31Å; Q205-E209 VanDerWaalsContact NE2-OE2 3.1Å; Q205-E209 VanDerWaalsContact O-CB 3.28Å; Q205-E209 WeakPolarHBondContact O-CB 3.39Å; Q205-E209 PolarHBondContact O-N 3.17Å; E209-S213 VanDerWaalsContact C-CB 3.48Å; E209-S213 VanDerWaalsContact O-CB 3.27Å; E209-S213 WeakPolarHBondContact O-CB 3.36Å; E209-S213 PolarHBondContact O-OG 3.13Å |
| 210 | Y | 96.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -130.7 | -67.5 | -176.5 | -55.7 | -81.9 | 0 | 0 | 0 | 111.8 | K196 I198 F206 H212 S213 V219 | K196-Y210 WeakPolarHBondContact CE-OH 3.41Å; K196-Y210 PolarHBondContact NZ-OH 3.41Å; I198-Y210 HydrophobicContact CD1-CD2 4.35Å; I198-Y210 HydrophobicContact CD1-CE2 3.51Å; F206-Y210 HydrophobicContact CD2-CD2 4.17Å; F206-Y210 HydrophobicContact CD2-CG 4.5Å; F206-Y210 WeakPolarHBondContact O-CB 3.43Å; F206-Y210 PolarHBondContact O-N 3.01Å; Y210-H212 PolarHBondContact O-N 3.42Å; Y210-S213 PolarHBondContact O-N 3.19Å; Y210-S213 PolarHBondContact O-OG 3.46Å; Y210-V219 HydrophobicContact CD1-CB 3.66Å; Y210-V219 HydrophobicContact CD1-CG1 3.48Å; Y210-V219 VanDerWaalsContact CD1-CG1 3.48Å; Y210-V219 HydrophobicContact CD1-CG2 4.28Å; Y210-V219 HydrophobicContact CD2-CG1 4.17Å; Y210-V219 HydrophobicContact CE1-CB 3.45Å; Y210-V219 VanDerWaalsContact CE1-CB 3.45Å; Y210-V219 HydrophobicContact CE1-CG1 3.72Å; Y210-V219 HydrophobicContact CE1-CG2 3.62Å; Y210-V219 HydrophobicContact CE2-CG1 4.37Å; Y210-V219 HydrophobicContact CE2-CG2 4.45Å; Y210-V219 HydrophobicContact CG-CB 4.39Å; Y210-V219 HydrophobicContact CG-CG1 3.73Å |
| 211 | L | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -58.1 | -54.7 | -169.8 | -175.5 | 61.8 | 0 | 0 | 0 | 113 | F206 D207 Q216 L311 V312 F406 F428 | F206-L211 HydrophobicContact CD1-CB 4.27Å; F206-L211 HydrophobicContact CE1-CB 3.89Å; F206-L211 HydrophobicContact CE1-CD2 4.4Å; F206-L211 PolarHBondContact O-N 3.24Å; F206-L211 VanDerWaalsContact O-N 3.11Å; D207-L211 PolarHBondContact O-N 3.04Å; L211-Q216 PolarHBondContact O-NE2 2.99Å; L211-L311 HydrophobicContact CD2-CB 3.65Å; L211-L311 HydrophobicContact CD2-CD1 3.67Å; L211-L311 HydrophobicContact CD2-CG 4.3Å; L211-V312 HydrophobicContact CD2-CG1 3.95Å; L211-F406 HydrophobicContact CD1-CE2 4.26Å; L211-F406 HydrophobicContact CD1-CZ 4.06Å; L211-F428 HydrophobicContact CD1-CE2 3.9Å; L211-F428 HydrophobicContact CD1-CZ 4.19Å |
| 212 | H | 93.7 | Very high | 94.8 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 17.4 | 178.3 | -65.6 | 118.3 | 0 | 0 | 0 | 112.8 | D207 Y210 | D207-H212 PolarHBondContact O-N 3.12Å; D207-H212 IonicContact OD1-CE1 3.73Å; D207-H212 PolarHBondContact OD1-CE1 3.23Å; D207-H212 IonicContact OD1-CG 3.76Å; D207-H212 IonicContact OD1-ND1 3.35Å; D207-H212 PolarHBondContact OD1-ND1 3.14Å; D207-H212 IonicContact OD2-ND1 3.19Å; Y210-H212 PolarHBondContact O-N 3.42Å |
| 213 | S | 92.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | trans | -69.8 | 146.6 | 174.1 | 74.2 | 0 | 0 | 0 | 0 | 111 | E209 Y210 Q215 Q216 | E209-S213 VanDerWaalsContact C-CB 3.48Å; E209-S213 VanDerWaalsContact O-CB 3.27Å; E209-S213 WeakPolarHBondContact O-CB 3.36Å; E209-S213 PolarHBondContact O-OG 3.13Å; Y210-S213 PolarHBondContact O-N 3.19Å; Y210-S213 PolarHBondContact O-OG 3.46Å; S213-Q215 PolarHBondContact O-N 3.22Å; S213-Q215 VanDerWaalsContact O-N 3.13Å; S213-Q216 WeakPolarHBondContact O-CG 3.37Å; S213-Q216 PolarHBondContact O-N 3.1Å; S213-Q216 VanDerWaalsContact O-N 3.16Å; S213-Q216 WeakPolarHBondContact OG-CA 3.45Å; S213-Q216 PolarHBondContact OG-N 2.94Å | ||
| 214 | V | 86.2 | Confident | 94.7 | Very high | 156 Ų | 156 | 53.1 Ų | 53.1 | 95% | 0.945 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.4 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 215 | Q | 81.4 | Confident | 94.7 | Very high | 130 Ų | 130 | 48.4 Ų | 48.4 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -13.6 | -176.8 | -65.8 | -177.5 | -11.9 | 0 | 0 | 113.7 | S213 K217 | S213-Q215 PolarHBondContact O-N 3.22Å; S213-Q215 VanDerWaalsContact O-N 3.13Å; Q215-K217 HydrophobicContact CB-CD 4.23Å; Q215-K217 HydrophobicContact CB-CG 4.01Å; Q215-K217 PolarHBondContact O-N 3.33Å |
| 216 | Q | 87.5 | Confident | 94.5 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | trans | 27.3 | 74.7 | -171.7 | -64.3 | -168.8 | -60.4 | 0 | 0 | 112.1 | L211 S213 P408 W411 | L211-Q216 PolarHBondContact O-NE2 2.99Å; S213-Q216 WeakPolarHBondContact O-CG 3.37Å; S213-Q216 PolarHBondContact O-N 3.1Å; S213-Q216 VanDerWaalsContact O-N 3.16Å; S213-Q216 WeakPolarHBondContact OG-CA 3.45Å; S213-Q216 PolarHBondContact OG-N 2.94Å; Q216-P408 HydrophobicContact CB-CB 3.94Å; Q216-P408 HydrophobicContact CB-CG 4.31Å; Q216-P408 WeakPolarHBondContact O-CG 3.47Å; Q216-W411 WeakPolarHBondContact O-CZ2 3.23Å; Q216-W411 PolarHBondContact O-NE1 3.35Å | ||
| 217 | K | 94.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | trans | -94.8 | 146.9 | -175.6 | -75.6 | 176.6 | 168.5 | 170.9 | 0 | 111.7 | Q215 W411 | Q215-K217 HydrophobicContact CB-CD 4.23Å; Q215-K217 HydrophobicContact CB-CG 4.01Å; Q215-K217 PolarHBondContact O-N 3.33Å; K217-W411 HydrophobicContact CG-CZ2 4.44Å | ||
| 218 | P | 98.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | trans | -65.5 | 149.1 | 171.3 | 29.4 | -35.5 | 0 | 0 | 0 | 111 | V195 L353 L405 F406 W411 | V195-P218 HydrophobicContact CG1-CB 4.25Å; V195-P218 HydrophobicContact CG1-CG 4.49Å; P218-L353 HydrophobicContact CB-CD2 4.01Å; P218-L353 HydrophobicContact CG-CD2 4.34Å; P218-L405 HydrophobicContact CB-CD1 4.42Å; P218-F406 WeakPolarHBondContact CA-O 3.32Å; P218-F406 WeakPolarHBondContact CB-O 3.34Å; P218-W411 VanDerWaalsContact CD-CZ2 3.41Å; P218-W411 HydrophobicContact CG-CD2 4.49Å; P218-W411 HydrophobicContact CG-CE3 4.02Å; P218-W411 HydrophobicContact CG-CH2 4.01Å; P218-W411 HydrophobicContact CG-CZ2 4.5Å; P218-W411 HydrophobicContact CG-CZ3 3.75Å | ||
| 219 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 138.3 | 179.1 | 66 | 0 | 0 | 0 | 0 | 110.2 | K196 I198 F206 Y210 I221 F406 | K196-V219 HydrophobicContact CB-CG2 4.42Å; K196-V219 WeakPolarHBondContact O-CA 3.43Å; K196-V219 VanDerWaalsContact O-CG2 3.25Å; K196-V219 WeakPolarHBondContact O-CG2 3.47Å; I198-V219 HydrophobicContact CD1-CG1 4.49Å; I198-V219 HydrophobicContact CD1-CG2 3.73Å; I198-V219 HydrophobicContact CG1-CG2 3.7Å; I198-V219 HydrophobicContact CG2-CG2 4.24Å; F206-V219 HydrophobicContact CE2-CG1 4.45Å; Y210-V219 HydrophobicContact CD1-CB 3.66Å; Y210-V219 HydrophobicContact CD1-CG1 3.48Å; Y210-V219 VanDerWaalsContact CD1-CG1 3.48Å; Y210-V219 HydrophobicContact CD1-CG2 4.28Å; Y210-V219 HydrophobicContact CD2-CG1 4.17Å; Y210-V219 HydrophobicContact CE1-CB 3.45Å; Y210-V219 VanDerWaalsContact CE1-CB 3.45Å; Y210-V219 HydrophobicContact CE1-CG1 3.72Å; Y210-V219 HydrophobicContact CE1-CG2 3.62Å; Y210-V219 HydrophobicContact CE2-CG1 4.37Å; Y210-V219 HydrophobicContact CE2-CG2 4.45Å; Y210-V219 HydrophobicContact CG-CB 4.39Å; Y210-V219 HydrophobicContact CG-CG1 3.73Å; V219-I221 HydrophobicContact CG1-CG1 4.21Å; V219-F406 HydrophobicContact CG1-CB 3.93Å; V219-F406 HydrophobicContact CG1-CD1 4.32Å; V219-F406 PolarHBondContact N-O 3.27Å; V219-F406 PolarHBondContact O-N 3.12Å |
| 220 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.4 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 109 | V195 K196 R197 I198 E222 T397 D403 L405 | V195-V220 HydrophobicContact CG1-CG2 4.15Å; K196-V220 PolarHBondContact O-N 3.47Å; R197-V220 CarbonylContact C-O 3.5Å; R197-V220 WeakPolarHBondContact CA-O 3.48Å; R197-V220 HydrophobicContact CB-CB 4.4Å; R197-V220 HydrophobicContact CG-CB 4.05Å; R197-V220 HydrophobicContact CG-CG2 4.42Å; I198-V220 PolarHBondContact N-O 3.5Å; V220-E222 HydrophobicContact CG1-CG 4.48Å; V220-T397 HydrophobicContact CG2-CG2 4.19Å; V220-D403 HydrophobicContact CG1-CB 3.83Å; V220-L405 HydrophobicContact CG2-CD1 3.93Å |
| 221 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.8 | 176.2 | -55.5 | 174.2 | 0 | 0 | 0 | 108.3 | I198 P201 F206 V219 A224 Y308 L404 | I198-I221 HydrophobicContact CD1-CG1 4.4Å; I198-I221 HydrophobicContact CG1-CG1 4.25Å; I198-I221 WeakPolarHBondContact O-CA 3.3Å; P201-I221 HydrophobicContact CG-CD1 4.34Å; P201-I221 HydrophobicContact CG-CG1 4.46Å; P201-I221 HydrophobicContact CG-CG2 4.25Å; F206-I221 HydrophobicContact CD2-CD1 3.68Å; F206-I221 HydrophobicContact CE2-CD1 3.66Å; V219-I221 HydrophobicContact CG1-CG1 4.21Å; I221-A224 HydrophobicContact CG2-CB 3.73Å; I221-Y308 HydrophobicContact CD1-CD2 4.13Å; I221-Y308 HydrophobicContact CD1-CE2 3.9Å; I221-Y308 HydrophobicContact CG2-CE2 4.17Å; I221-L404 HydrophobicContact CB-CB 4.23Å; I221-L404 WeakPolarHBondContact CB-O 3.3Å; I221-L404 PolarHBondContact N-O 3.09Å; I221-L404 PolarHBondContact O-N 3.42Å |
| 222 | E | 97.6 | Very high | 94 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.29 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 146.4 | 178.6 | -58.8 | 176.9 | 156.7 | 0 | 0 | 110.2 | R197 I198 H199 C200 V220 A224 | R197-E222 IonicContact CZ-OE1 2.66Å; R197-E222 VanDerWaalsContact CZ-OE1 3.27Å; R197-E222 IonicContact NE-OE1 2.7Å; R197-E222 PolarHBondContact NE-OE1 3.34Å; R197-E222 IonicContact NH2-OE1 3.68Å; R197-E222 PolarHBondContact NH2-OE1 2.94Å; I198-E222 PolarHBondContact O-N 3.06Å; H199-E222 PolarHBondContact ND1-O 2.94Å; C200-E222 PolarHBondContact N-O 2.88Å; V220-E222 HydrophobicContact CG1-CG 4.48Å; E222-A224 PolarHBondContact O-N 3.33Å |
| 223 | G | 95.5 | Very high | 94 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 80.1 | -8.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L225 D226 | G223-L225 PolarHBondContact O-N 3.31Å; G223-D226 WeakPolarHBondContact CA-OD1 3.45Å |
| 224 | A | 96.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -19.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I221 E222 Y308 L404 | I221-A224 HydrophobicContact CG2-CB 3.73Å; E222-A224 PolarHBondContact O-N 3.33Å; A224-Y308 HydrophobicContact CB-CE2 3.81Å; A224-L404 HydrophobicContact CB-CD2 4.3Å |
| 225 | L | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -0.8 | -176 | -50.8 | -177.4 | 0 | 0 | 0 | 113 | G223 C227 W228 F231 P306 A343 L404 | G223-L225 PolarHBondContact O-N 3.31Å; L225-C227 PolarHBondContact O-N 2.91Å; L225-W228 HydrophobicContact CB-CD2 4.33Å; L225-W228 HydrophobicContact CD1-CH2 4.23Å; L225-W228 HydrophobicContact CD1-CZ2 4.49Å; L225-W228 HydrophobicContact CD1-CZ3 4.32Å; L225-W228 HydrophobicContact CD2-CH2 4.19Å; L225-W228 HydrophobicContact CD2-CZ2 3.67Å; L225-W228 WeakPolarHBondContact O-CB 3.39Å; L225-W228 PolarHBondContact O-N 3.48Å; L225-F231 HydrophobicContact CB-CE2 3.69Å; L225-F231 HydrophobicContact CB-CZ 3.89Å; L225-F231 HydrophobicContact CD1-CZ 4.21Å; L225-F231 VanDerWaalsContact O-CE2 3.25Å; L225-F231 WeakPolarHBondContact O-CE2 3.4Å; L225-P306 HydrophobicContact CD2-CG 4.2Å; L225-A343 HydrophobicContact CD1-CB 3.59Å; L225-L404 HydrophobicContact CD1-CB 4.14Å; L225-L404 HydrophobicContact CD1-CD1 4.22Å; L225-L404 HydrophobicContact CD2-CB 4.49Å; L225-L404 HydrophobicContact CD2-CD1 4.24Å; L225-L404 HydrophobicContact CD2-CD2 4.14Å; L225-L404 HydrophobicContact CG-CB 4.23Å |
| 226 | D | 92.7 | Very high | 94.8 | Very high | 119 Ų | 119 | 46.3 Ų | 46.3 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19.1 | -168 | -76.7 | 2.3 | 0 | 0 | 0 | 114.6 | G223 | G223-D226 WeakPolarHBondContact CA-OD1 3.45Š|
| 227 | C | 93.9 | Very high | 95.1 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 72% | 0.716 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.8 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 114.8 | L225 P229 | L225-C227 PolarHBondContact O-N 2.91Å; C227-P229 WeakPolarHBondContact O-CD 3.3Å |
| 228 | W | 96.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -70.2 | 127.6 | -175 | -74 | 10.9 | 0 | 0 | 0 | 112.6 | L225 A230 F231 I303 A304 A343 V345 F426 | L225-W228 HydrophobicContact CB-CD2 4.33Å; L225-W228 HydrophobicContact CD1-CH2 4.23Å; L225-W228 HydrophobicContact CD1-CZ2 4.49Å; L225-W228 HydrophobicContact CD1-CZ3 4.32Å; L225-W228 HydrophobicContact CD2-CH2 4.19Å; L225-W228 HydrophobicContact CD2-CZ2 3.67Å; L225-W228 WeakPolarHBondContact O-CB 3.39Å; L225-W228 PolarHBondContact O-N 3.48Å; W228-A230 HydrophobicContact CB-CB 4.47Å; W228-A230 PolarHBondContact O-N 2.93Å; W228-F231 HydrophobicContact CB-CD2 3.83Å; W228-F231 HydrophobicContact CB-CE2 3.76Å; W228-F231 HydrophobicContact CD2-CE2 4.4Å; W228-F231 HydrophobicContact CE3-CE2 4.19Å; W228-F231 HydrophobicContact CE3-CZ 4.29Å; W228-F231 HydrophobicContact CG-CE2 4.27Å; W228-F231 PolarHBondContact O-N 3.42Å; W228-I303 HydrophobicContact CD2-CB 3.94Å; W228-I303 HydrophobicContact CD2-CG2 3.98Å; W228-I303 HydrophobicContact CE3-CB 3.84Å; W228-I303 HydrophobicContact CE3-CG2 3.43Å; W228-I303 VanDerWaalsContact CE3-CG2 3.43Å; W228-I303 HydrophobicContact CH2-CB 4.05Å; W228-I303 HydrophobicContact CH2-CG2 4.22Å; W228-I303 HydrophobicContact CZ2-CB 4.16Å; W228-I303 HydrophobicContact CZ3-CB 3.88Å; W228-I303 HydrophobicContact CZ3-CG2 3.55Å; W228-A304 WeakPolarHBondContact CZ2-O 3.05Å; W228-A304 PolarHBondContact NE1-O 2.78Å; W228-A343 HydrophobicContact CH2-CB 3.81Å; W228-A343 HydrophobicContact CZ3-CB 4.08Å; W228-V345 HydrophobicContact CE3-CG2 4.36Å; W228-V345 HydrophobicContact CZ3-CG2 3.83Å; W228-F426 AromaticContact CH2-CE2 3.66Å; W228-F426 HydrophobicContact CH2-CE2 3.66Å; W228-F426 AromaticContact CH2-CZ 3.55Å; W228-F426 HydrophobicContact CH2-CZ 3.55Å; W228-F426 HydrophobicContact CZ2-CE2 4.16Å; W228-F426 AromaticContact CZ2-CZ 3.85Å; W228-F426 HydrophobicContact CZ2-CZ 3.85Å | ||
| 229 | P | 97.1 | Very high | 95 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.8 | 170.8 | -26.4 | 34 | 0 | 0 | 0 | 114 | C227 F231 Q232 K233 D302 | C227-P229 WeakPolarHBondContact O-CD 3.3Å; P229-F231 VanDerWaalsContact C-N 3.25Å; P229-F231 PolarHBondContact O-N 3.12Å; P229-Q232 PolarHBondContact O-N 2.93Å; P229-K233 HydrophobicContact CB-CD 3.95Å; P229-K233 WeakPolarHBondContact O-CG 3.18Å; P229-K233 PolarHBondContact O-N 3.22Å; P229-K233 VanDerWaalsContact O-N 3.14Å; P229-D302 HydrophobicContact CB-CB 4.4Å; P229-D302 VanDerWaalsContact CD-O 3.3Å; P229-D302 WeakPolarHBondContact CD-O 3.49Å |
| 230 | A | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51.8 | -39.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W228 Q232 K233 W234 D302 I303 V345 | W228-A230 HydrophobicContact CB-CB 4.47Å; W228-A230 PolarHBondContact O-N 2.93Å; A230-Q232 PolarHBondContact O-N 2.79Å; A230-Q232 VanDerWaalsContact O-N 3.16Å; A230-K233 PolarHBondContact O-N 2.89Å; A230-K233 VanDerWaalsContact O-N 3.16Å; A230-W234 HydrophobicContact CB-CD2 3.67Å; A230-W234 HydrophobicContact CB-CE3 4.06Å; A230-W234 HydrophobicContact CB-CG 4.02Å; A230-W234 HydrophobicContact CB-CH2 4.3Å; A230-W234 HydrophobicContact CB-CZ2 3.98Å; A230-W234 HydrophobicContact CB-CZ3 4.34Å; A230-W234 WeakPolarHBondContact O-CB 3.43Å; A230-W234 PolarHBondContact O-N 3.09Å; A230-D302 HydrophobicContact CB-CB 4.13Å; A230-D302 WeakPolarHBondContact CB-O 3.31Å; A230-D302 PolarHBondContact N-O 2.89Å; A230-D302 VanDerWaalsContact N-O 3.13Å; A230-I303 HydrophobicContact CB-CG2 3.97Å; A230-V345 HydrophobicContact CB-CG1 3.67Å |
| 231 | F | 91.9 | Very high | 94.7 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -19.3 | -179.1 | -62.8 | -62.7 | 0 | 0 | 0 | 114.4 | L225 W228 P229 V345 P401 | L225-F231 HydrophobicContact CB-CE2 3.69Å; L225-F231 HydrophobicContact CB-CZ 3.89Å; L225-F231 HydrophobicContact CD1-CZ 4.21Å; L225-F231 VanDerWaalsContact O-CE2 3.25Å; L225-F231 WeakPolarHBondContact O-CE2 3.4Å; W228-F231 HydrophobicContact CB-CD2 3.83Å; W228-F231 HydrophobicContact CB-CE2 3.76Å; W228-F231 HydrophobicContact CD2-CE2 4.4Å; W228-F231 HydrophobicContact CE3-CE2 4.19Å; W228-F231 HydrophobicContact CE3-CZ 4.29Å; W228-F231 HydrophobicContact CG-CE2 4.27Å; W228-F231 PolarHBondContact O-N 3.42Å; P229-F231 VanDerWaalsContact C-N 3.25Å; P229-F231 PolarHBondContact O-N 3.12Å; F231-V345 HydrophobicContact CD1-CG1 4.31Å; F231-V345 HydrophobicContact CE1-CB 4.47Å; F231-V345 HydrophobicContact CE1-CG1 4.12Å; F231-P401 HydrophobicContact CD1-CB 4.39Å; F231-P401 HydrophobicContact CE1-CB 4.42Å |
| 232 | Q | 90.7 | Very high | 94.6 | Very high | 180 Ų | 180 | 54.1 Ų | 54.1 | 84% | 0.841 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -97.7 | -27.7 | 176.4 | -65.8 | -93 | -36.4 | 0 | 0 | 111.9 | P229 A230 | P229-Q232 PolarHBondContact O-N 2.93Å; A230-Q232 PolarHBondContact O-N 2.79Å; A230-Q232 VanDerWaalsContact O-N 3.16Å |
| 233 | K | 92.7 | Very high | 94.6 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -99.5 | -43.7 | -169.1 | -67.3 | 177.3 | 67.9 | -169.1 | 0 | 113.1 | P229 A230 N235 Y238 D302 | P229-K233 HydrophobicContact CB-CD 3.95Å; P229-K233 WeakPolarHBondContact O-CG 3.18Å; P229-K233 PolarHBondContact O-N 3.22Å; P229-K233 VanDerWaalsContact O-N 3.14Å; A230-K233 PolarHBondContact O-N 2.89Å; A230-K233 VanDerWaalsContact O-N 3.16Å; K233-N235 PolarHBondContact O-N 2.83Å; K233-Y238 HydrophobicContact CB-CD2 4.42Å; K233-Y238 HydrophobicContact CB-CE1 4.45Å; K233-Y238 HydrophobicContact CB-CE2 4.25Å; K233-Y238 WeakPolarHBondContact CE-OH 3.48Å; K233-Y238 PolarHBondContact NZ-OH 3.35Å; K233-Y238 WeakPolarHBondContact O-CB 3.27Å; K233-Y238 VanDerWaalsContact O-CG 3.26Å; K233-D302 WeakPolarHBondContact CD-OD1 3.31Å; K233-D302 IonicContact NZ-OD1 2.82Å; K233-D302 PolarHBondContact NZ-OD1 2.84Å; K233-D302 IonicContact NZ-OD2 3.34Å; K233-D302 PolarHBondContact NZ-OD2 2.82Å |
| 234 | W | 94.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | trans | -76.3 | 121.9 | -164.4 | -70 | 11.6 | 0 | 0 | 0 | 111.8 | A230 Y238 F239 F293 L299 D302 I303 V345 M346 F422 | A230-W234 HydrophobicContact CB-CD2 3.67Å; A230-W234 HydrophobicContact CB-CE3 4.06Å; A230-W234 HydrophobicContact CB-CG 4.02Å; A230-W234 HydrophobicContact CB-CH2 4.3Å; A230-W234 HydrophobicContact CB-CZ2 3.98Å; A230-W234 HydrophobicContact CB-CZ3 4.34Å; A230-W234 WeakPolarHBondContact O-CB 3.43Å; A230-W234 PolarHBondContact O-N 3.09Å; W234-Y238 AromaticContact CD1-CD1 3.58Å; W234-Y238 AromaticContact CD1-CE1 3.31Å; W234-Y238 HydrophobicContact CG-CD1 4.28Å; W234-Y238 HydrophobicContact CG-CE1 4.34Å; W234-Y238 AromaticContact NE1-CE1 3.61Å; W234-F239 HydrophobicContact CB-CE1 3.99Å; W234-F239 HydrophobicContact CB-CE2 4.45Å; W234-F239 HydrophobicContact CB-CZ 3.64Å; W234-F239 AromaticContact CD2-CE1 3.65Å; W234-F239 HydrophobicContact CD2-CE1 3.65Å; W234-F239 AromaticContact CD2-CZ 3.73Å; W234-F239 HydrophobicContact CD2-CZ 3.73Å; W234-F239 HydrophobicContact CE3-CE1 4.01Å; W234-F239 AromaticContact CE3-CZ 3.73Å; W234-F239 HydrophobicContact CE3-CZ 3.73Å; W234-F239 AromaticContact CG-CE1 3.64Å; W234-F239 HydrophobicContact CG-CE1 3.64Å; W234-F239 AromaticContact CG-CZ 3.73Å; W234-F239 HydrophobicContact CG-CZ 3.73Å; W234-F293 AromaticContact CH2-CE1 3.71Å; W234-F293 HydrophobicContact CH2-CE1 3.71Å; W234-F293 HydrophobicContact CH2-CZ 4.06Å; W234-F293 HydrophobicContact CZ2-CE1 4.21Å; W234-L299 HydrophobicContact CZ2-CB 4.34Å; W234-L299 HydrophobicContact CZ2-CD2 4.06Å; W234-D302 HydrophobicContact CZ2-CB 3.94Å; W234-D302 PolarHBondContact NE1-OD2 2.82Å; W234-I303 HydrophobicContact CH2-CG2 3.62Å; W234-I303 HydrophobicContact CZ2-CG2 3.84Å; W234-I303 HydrophobicContact CZ3-CG2 4.48Å; W234-V345 HydrophobicContact CD2-CG1 4.19Å; W234-V345 HydrophobicContact CE3-CB 4.04Å; W234-V345 HydrophobicContact CE3-CG1 3.4Å; W234-V345 VanDerWaalsContact CE3-CG1 3.4Å; W234-V345 HydrophobicContact CZ3-CB 4Å; W234-V345 HydrophobicContact CZ3-CG1 3.68Å; W234-V345 HydrophobicContact CZ3-CG2 4.09Å; W234-M346 HydrophobicContact CB-CG 4.12Å; W234-M346 HydrophobicContact CB-SD 3.78Å; W234-F422 AromaticContact CE3-CD1 3.89Å; W234-F422 HydrophobicContact CE3-CD1 3.89Å; W234-F422 HydrophobicContact CE3-CD2 4.47Å; W234-F422 HydrophobicContact CE3-CE1 4.17Å; W234-F422 HydrophobicContact CE3-CG 4.08Å; W234-F422 HydrophobicContact CH2-CD1 4.37Å; W234-F422 AromaticContact CH2-CE1 3.9Å; W234-F422 HydrophobicContact CH2-CE1 3.9Å; W234-F422 HydrophobicContact CH2-CZ 4.26Å; W234-F422 AromaticContact CZ3-CD1 3.38Å; W234-F422 HydrophobicContact CZ3-CD1 3.38Å; W234-F422 AromaticContact CZ3-CE1 3.34Å; W234-F422 HydrophobicContact CZ3-CE1 3.34Å; W234-F422 HydrophobicContact CZ3-CE2 4.47Å; W234-F422 HydrophobicContact CZ3-CG 4.03Å; W234-F422 AromaticContact CZ3-CZ 3.92Å; W234-F422 HydrophobicContact CZ3-CZ 3.92Å | ||
| 235 | N | 90.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -157.5 | 174.3 | 168.4 | 53.1 | 52.1 | 0 | 0 | 0 | 107.8 | K233 E237 Y238 F239 M346 | K233-N235 PolarHBondContact O-N 2.83Å; N235-E237 VanDerWaalsContact C-N 3.3Å; N235-E237 PolarHBondContact O-N 3.42Å; N235-E237 WeakPolarHBondContact OD1-CB 3.43Å; N235-E237 PolarHBondContact OD1-N 3.49Å; N235-Y238 WeakPolarHBondContact O-CB 3.43Å; N235-Y238 PolarHBondContact O-N 3.45Å; N235-Y238 WeakPolarHBondContact OD1-CB 3.4Å; N235-Y238 PolarHBondContact OD1-N 3.31Å; N235-F239 WeakPolarHBondContact O-CD2 3.17Å; N235-F239 WeakPolarHBondContact O-CG 3.45Å; N235-F239 PolarHBondContact O-N 3.13Å; N235-M346 HydrophobicContact CB-CE 4.45Å |
| 236 | L | 92.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | -177.3 | -64.7 | 178.8 | 0 | 0 | 0 | 111.9 | L138 Y238 F239 L240 F276 F324 T420 | L138-L236 HydrophobicContact CD1-CB 3.52Å; L138-L236 HydrophobicContact CD1-CD1 3.85Å; L138-L236 HydrophobicContact CD1-CG 4.33Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-Y238 PolarHBondContact O-N 2.92Å; L236-F239 PolarHBondContact O-N 3.45Å; L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 3.36Å; L236-F276 HydrophobicContact CD1-CD1 4.06Å; L236-F276 HydrophobicContact CD2-CD1 3.89Å; L236-F276 HydrophobicContact CD2-CE1 3.72Å; L236-F324 HydrophobicContact CD2-CE2 3.85Å; L236-F324 HydrophobicContact CD2-CZ 3.57Å; L236-T420 HydrophobicContact CD2-CG2 4.15Å |
| 237 | E | 93.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 44 Ų | 44 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.8 | -71.8 | 75.4 | -174.3 | 0 | 0 | 112.3 | L138 S144 N235 L240 K241 | L138-E237 HydrophobicContact CB-CG 4.26Å; L138-E237 WeakPolarHBondContact CD2-OE1 3.25Å; S144-E237 WeakPolarHBondContact CA-OE1 3.37Å; S144-E237 WeakPolarHBondContact CB-OE1 3.47Å; N235-E237 VanDerWaalsContact C-N 3.3Å; N235-E237 PolarHBondContact O-N 3.42Å; N235-E237 WeakPolarHBondContact OD1-CB 3.43Å; N235-E237 PolarHBondContact OD1-N 3.49Å; E237-L240 PolarHBondContact O-N 2.86Å; E237-K241 VanDerWaalsContact O-CB 3.27Å; E237-K241 WeakPolarHBondContact O-CB 3.33Å; E237-K241 PolarHBondContact O-N 3.01Å |
| 238 | Y | 94.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 39 Ų | 39 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 177.3 | 176.1 | -101.1 | 0 | 0 | 0 | 110.8 | K233 W234 N235 L236 L240 K241 L242 L299 D302 | K233-Y238 HydrophobicContact CB-CD2 4.42Å; K233-Y238 HydrophobicContact CB-CE1 4.45Å; K233-Y238 HydrophobicContact CB-CE2 4.25Å; K233-Y238 WeakPolarHBondContact CE-OH 3.48Å; K233-Y238 PolarHBondContact NZ-OH 3.35Å; K233-Y238 WeakPolarHBondContact O-CB 3.27Å; K233-Y238 VanDerWaalsContact O-CG 3.26Å; W234-Y238 AromaticContact CD1-CD1 3.58Å; W234-Y238 AromaticContact CD1-CE1 3.31Å; W234-Y238 HydrophobicContact CG-CD1 4.28Å; W234-Y238 HydrophobicContact CG-CE1 4.34Å; W234-Y238 AromaticContact NE1-CE1 3.61Å; N235-Y238 WeakPolarHBondContact O-CB 3.43Å; N235-Y238 PolarHBondContact O-N 3.45Å; N235-Y238 WeakPolarHBondContact OD1-CB 3.4Å; N235-Y238 PolarHBondContact OD1-N 3.31Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-Y238 PolarHBondContact O-N 2.92Å; Y238-L240 PolarHBondContact O-N 2.99Å; Y238-K241 PolarHBondContact O-N 3.09Å; Y238-L242 HydrophobicContact CE1-CD2 3.82Å; Y238-L242 WeakPolarHBondContact O-CB 3.42Å; Y238-L242 PolarHBondContact O-N 2.8Å; Y238-L299 HydrophobicContact CE1-CD2 4Å; Y238-D302 PolarHBondContact OH-OD2 3.44Å |
| 239 | F | 96.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.1 | -62.5 | -44.3 | 0 | 0 | 0 | 112.4 | W234 N235 L236 L242 A243 G244 L268 L299 F324 M346 F422 | W234-F239 HydrophobicContact CB-CE1 3.99Å; W234-F239 HydrophobicContact CB-CE2 4.45Å; W234-F239 HydrophobicContact CB-CZ 3.64Å; W234-F239 AromaticContact CD2-CE1 3.65Å; W234-F239 HydrophobicContact CD2-CE1 3.65Å; W234-F239 AromaticContact CD2-CZ 3.73Å; W234-F239 HydrophobicContact CD2-CZ 3.73Å; W234-F239 HydrophobicContact CE3-CE1 4.01Å; W234-F239 AromaticContact CE3-CZ 3.73Å; W234-F239 HydrophobicContact CE3-CZ 3.73Å; W234-F239 AromaticContact CG-CE1 3.64Å; W234-F239 HydrophobicContact CG-CE1 3.64Å; W234-F239 AromaticContact CG-CZ 3.73Å; W234-F239 HydrophobicContact CG-CZ 3.73Å; N235-F239 WeakPolarHBondContact O-CD2 3.17Å; N235-F239 WeakPolarHBondContact O-CG 3.45Å; N235-F239 PolarHBondContact O-N 3.13Å; L236-F239 PolarHBondContact O-N 3.45Å; F239-L242 PolarHBondContact O-N 2.87Å; F239-A243 CarbonylContact O-C 3.51Å; F239-A243 WeakPolarHBondContact O-CA 3.45Å; F239-A243 PolarHBondContact O-N 2.93Å; F239-G244 PolarHBondContact O-N 2.87Å; F239-L268 HydrophobicContact CB-CD2 4.24Å; F239-L299 HydrophobicContact CD1-CD2 4.02Å; F239-L299 HydrophobicContact CE1-CD2 3.91Å; F239-F324 HydrophobicContact CD2-CE2 4.1Å; F239-F324 HydrophobicContact CD2-CZ 4.05Å; F239-F324 HydrophobicContact CE2-CD2 4.46Å; F239-F324 HydrophobicContact CE2-CE2 4.06Å; F239-F324 HydrophobicContact CE2-CZ 4.47Å; F239-M346 HydrophobicContact CE2-CE 4.45Å; F239-M346 HydrophobicContact CE2-SD 3.45Å; F239-M346 WeakPolarHBondContact CE2-SD 3.39Å; F239-M346 HydrophobicContact CZ-SD 3.81Å; F239-F422 HydrophobicContact CE1-CD2 4.1Å; F239-F422 HydrophobicContact CE1-CE2 4.08Å; F239-F422 AromaticContact CE2-CD2 3.68Å; F239-F422 HydrophobicContact CE2-CD2 3.68Å; F239-F422 HydrophobicContact CE2-CE2 4.38Å; F239-F422 HydrophobicContact CE2-CG 4.43Å; F239-F422 HydrophobicContact CZ-CB 4.39Å; F239-F422 AromaticContact CZ-CD2 3.37Å; F239-F422 HydrophobicContact CZ-CD2 3.37Å; F239-F422 AromaticContact CZ-CE2 3.82Å; F239-F422 HydrophobicContact CZ-CE2 3.82Å; F239-F422 HydrophobicContact CZ-CG 4.01Å |
| 240 | L | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.7 | -71.1 | 174.8 | 0 | 0 | 0 | 112.1 | C136 L138 L236 E237 Y238 G244 H269 V272 | C136-L240 HydrophobicContact CB-CB 4.17Å; C136-L240 WeakPolarHBondContact CB-O 3.44Å; L138-L240 HydrophobicContact CB-CD1 4.12Å; L138-L240 HydrophobicContact CD1-CD1 3.77Å; L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 3.36Å; E237-L240 PolarHBondContact O-N 2.86Å; Y238-L240 PolarHBondContact O-N 2.99Å; L240-G244 WeakPolarHBondContact O-CA 3.47Å; L240-G244 PolarHBondContact O-N 3.27Å; L240-H269 HydrophobicContact CD2-CB 3.86Å; L240-V272 HydrophobicContact CD1-CG1 4.25Å; L240-V272 HydrophobicContact CD2-CB 4.07Å; L240-V272 HydrophobicContact CD2-CG1 4.46Å; L240-V272 HydrophobicContact CD2-CG2 4.01Å |
| 241 | K | 95.6 | Very high | 95.2 | Very high | 168 Ų | 168 | 37.2 Ų | 37.2 | 73% | 0.73 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -66.1 | -42.8 | 176.6 | -176.5 | -178.7 | 178.1 | -176.5 | 0 | 112 | H127 E237 Y238 | H127-K241 PolarHBondContact CE1-O 2.95Å; E237-K241 VanDerWaalsContact O-CB 3.27Å; E237-K241 WeakPolarHBondContact O-CB 3.33Å; E237-K241 PolarHBondContact O-N 3.01Å; Y238-K241 PolarHBondContact O-N 3.09Å |
| 242 | L | 95.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -77.2 | -38.6 | -175.4 | -174.9 | 72.1 | 0 | 0 | 0 | 112.6 | H127 Y238 F239 E298 L299 | H127-L242 VanDerWaalsContact CE1-C 3.44Å; H127-L242 PolarHBondContact CE1-O 3.3Å; H127-L242 PolarHBondContact NE2-O 3.46Å; Y238-L242 HydrophobicContact CE1-CD2 3.82Å; Y238-L242 WeakPolarHBondContact O-CB 3.42Å; Y238-L242 PolarHBondContact O-N 2.8Å; F239-L242 PolarHBondContact O-N 2.87Å; L242-E298 HydrophobicContact CD1-CB 3.71Å; L242-E298 HydrophobicContact CD1-CG 4.18Å; L242-E298 HydrophobicContact CD2-CB 4.03Å; L242-E298 HydrophobicContact CG-CB 4.24Å; L242-L299 HydrophobicContact CD2-CD2 3.43Å; L242-L299 VanDerWaalsContact CD2-CD2 3.43Å; L242-L299 HydrophobicContact CD2-CG 3.71Å |
| 243 | A | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -141.6 | 11.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F239 H245 R246 L268 I296 | F239-A243 CarbonylContact O-C 3.51Å; F239-A243 WeakPolarHBondContact O-CA 3.45Å; F239-A243 PolarHBondContact O-N 2.93Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.47Å; A243-H245 VanDerWaalsContact O-N 3.11Å; A243-R246 HydrophobicContact CB-CB 4.27Å; A243-R246 HydrophobicContact CB-CG 3.82Å; A243-R246 WeakPolarHBondContact O-CB 3.41Å; A243-R246 WeakPolarHBondContact O-CG 3.19Å; A243-R246 PolarHBondContact O-N 3.14Å; A243-L268 HydrophobicContact CB-CD2 3.68Å; A243-L268 WeakPolarHBondContact O-CB 3.41Å; A243-I296 HydrophobicContact CB-CD1 3.69Å |
| 244 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -40.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H127 F239 L240 L268 H269 | H127-G244 PolarHBondContact NE2-N 3.38Å; F239-G244 PolarHBondContact O-N 2.87Å; L240-G244 WeakPolarHBondContact O-CA 3.47Å; L240-G244 PolarHBondContact O-N 3.27Å; G244-L268 PolarHBondContact O-N 3.47Å; G244-H269 WeakPolarHBondContact O-CB 3.23Å; G244-H269 PolarHBondContact O-CD2 3.28Å; G244-H269 PolarHBondContact O-N 2.8Å |
| 245 | H | 97.8 | Very high | 94 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.3 | 177.7 | -66.4 | -63.9 | 0 | 0 | 0 | 114.8 | M101 L130 E134 C136 A243 T247 H269 | M101-H245 HydrophobicContact CG-CB 4.28Å; M101-H245 VanDerWaalsContact CG-O 3.26Å; M101-H245 WeakPolarHBondContact CG-O 3.36Å; L130-H245 HydrophobicContact CD2-CB 3.73Å; L130-H245 VanDerWaalsContact CD2-CG 3.44Å; L130-H245 HydrophobicContact CG-CB 4.45Å; E134-H245 PolarHBondContact O-NE2 3.24Å; C136-H245 PolarHBondContact SG-CE1 3.24Å; C136-H245 PolarHBondContact SG-NE2 3.18Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.47Å; A243-H245 VanDerWaalsContact O-N 3.11Å; H245-T247 PolarHBondContact O-N 2.99Å; H245-H269 AromaticContact ND1-CD2 3.67Å; H245-H269 AromaticContact ND1-NE2 3.86Å |
| 246 | R | 98 | Very high | 93.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -67.5 | 133.4 | 177.8 | -56.3 | -62.3 | -61 | -84.2 | -0.2 | 109.2 | D105 A243 P267 L268 Q295 I296 | D105-R246 IonicContact OD1-CZ 2.61Å; D105-R246 IonicContact OD1-NE 3.18Å; D105-R246 PolarHBondContact OD1-NE 3.09Å; D105-R246 IonicContact OD1-NH2 3.41Å; D105-R246 PolarHBondContact OD1-NH2 3.47Å; D105-R246 VanDerWaalsContact OD2-CA 3.23Å; D105-R246 WeakPolarHBondContact OD2-CA 3.39Å; D105-R246 IonicContact OD2-NE 3.48Å; D105-R246 PolarHBondContact OD2-NE 3.21Å; A243-R246 HydrophobicContact CB-CB 4.27Å; A243-R246 HydrophobicContact CB-CG 3.82Å; A243-R246 WeakPolarHBondContact O-CB 3.41Å; A243-R246 WeakPolarHBondContact O-CG 3.19Å; A243-R246 PolarHBondContact O-N 3.14Å; R246-P267 CarbonylContact O-C 3.56Å; R246-P267 WeakPolarHBondContact O-CA 3.43Å; R246-L268 PolarHBondContact O-N 2.89Å; R246-Q295 PolarHBondContact NH1-O 3.17Å; R246-Q295 PolarHBondContact NH2-O 3.37Å; R246-I296 HydrophobicContact CB-CD1 4.19Å; R246-I296 HydrophobicContact CG-CD1 4.15Å |
| 247 | T | 98 | Very high | 92.9 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 130.7 | 175 | -56.1 | 0 | 0 | 0 | 0 | 109 | D105 I109 H245 L265 M266 Q295 | D105-T247 PolarHBondContact OD2-N 2.9Å; I109-T247 HydrophobicContact CD1-CG2 4.33Å; H245-T247 PolarHBondContact O-N 2.99Å; T247-L265 HydrophobicContact CG2-CB 3.81Å; T247-M266 WeakPolarHBondContact CA-O 3.5Å; T247-Q295 PolarHBondContact O-NE2 3.35Å |
| 248 | V | 97.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.9 | -179.9 | -67 | 0 | 0 | 0 | 0 | 110.7 | V250 L265 M266 L268 L287 L292 | V248-V250 HydrophobicContact CG2-CG2 4.04Å; V248-L265 WeakPolarHBondContact O-CA 3.45Å; V248-M266 PolarHBondContact N-O 2.82Å; V248-M266 PolarHBondContact O-N 3.35Å; V248-M266 VanDerWaalsContact O-N 3.08Å; V248-L268 HydrophobicContact CG2-CB 4.44Å; V248-L268 HydrophobicContact CG2-CD1 4.25Å; V248-L287 HydrophobicContact CB-CD1 3.82Å; V248-L287 HydrophobicContact CG1-CD1 4.04Å; V248-L287 HydrophobicContact CG2-CD1 4.17Å; V248-L292 HydrophobicContact CG1-CD1 3.89Å |
| 249 | P | 96.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.7 | 169.8 | 30.4 | -31.8 | 0 | 0 | 0 | 110.7 | L265 Y290 | P249-L265 HydrophobicContact CB-CD2 3.79Å; P249-Y290 HydrophobicContact CG-CD1 3.89Å; P249-Y290 HydrophobicContact CG-CD2 3.55Å; P249-Y290 HydrophobicContact CG-CE1 4.21Å; P249-Y290 HydrophobicContact CG-CE2 3.91Å; P249-Y290 HydrophobicContact CG-CG 3.56Å |
| 250 | V | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.8 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | V248 I252 Q263 Q264 M266 F271 | V248-V250 HydrophobicContact CG2-CG2 4.04Å; V250-I252 HydrophobicContact CG1-CG1 4.37Å; V250-Q263 CarbonylContact O-C 3.49Å; V250-Q263 WeakPolarHBondContact O-CA 3.27Å; V250-Q264 PolarHBondContact N-O 2.96Å; V250-Q264 PolarHBondContact O-N 3.15Å; V250-M266 HydrophobicContact CB-CE 4.11Å; V250-M266 HydrophobicContact CG1-CE 4.4Å; V250-M266 HydrophobicContact CG2-CE 4.43Å; V250-M266 HydrophobicContact CG2-CG 3.93Å; V250-M266 HydrophobicContact CG2-SD 4.26Å; V250-F271 HydrophobicContact CB-CD2 4.32Å; V250-F271 HydrophobicContact CG1-CD2 3.59Å; V250-F271 HydrophobicContact CG1-CE2 3.53Å; V250-F271 HydrophobicContact CG1-CG 4.42Å; V250-F271 HydrophobicContact CG1-CZ 4.24Å; V250-F271 HydrophobicContact CG2-CB 4.09Å; V250-F271 HydrophobicContact CG2-CD1 4.07Å; V250-F271 HydrophobicContact CG2-CD2 3.71Å; V250-F271 HydrophobicContact CG2-CE1 4.47Å; V250-F271 HydrophobicContact CG2-CE2 4.19Å; V250-F271 HydrophobicContact CG2-CG 3.69Å |
| 251 | E | 95.9 | Very high | 91 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135.2 | 165.1 | -60.7 | -170.4 | -171.6 | 0 | 0 | 109.6 | W261 T262 G285 Y286 A288 | E251-W261 HydrophobicContact CB-CZ2 4.21Å; E251-W261 HydrophobicContact CG-CZ2 3.62Å; E251-W261 PolarHBondContact OE2-NE1 3.11Å; E251-T262 CarbonylContact C-O 3.59Å; E251-T262 WeakPolarHBondContact CA-O 3.38Å; E251-G285 CarbonylContact O-C 3.57Å; E251-G285 VanDerWaalsContact O-CA 3.28Å; E251-G285 WeakPolarHBondContact O-CA 3.43Å; E251-Y286 WeakPolarHBondContact CB-O 3.44Å; E251-Y286 PolarHBondContact N-O 2.93Å; E251-Y286 PolarHBondContact O-N 3.41Å; E251-A288 HydrophobicContact CG-CB 4.4Å |
| 252 | I | 93 | Very high | 90.8 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.8 | -179.9 | -57.1 | 168.1 | 0 | 0 | 0 | 107.6 | V250 W261 T262 Q264 M266 Y275 D283 V284 | V250-I252 HydrophobicContact CG1-CG1 4.37Å; I252-W261 WeakPolarHBondContact O-CA 3.42Å; I252-T262 HydrophobicContact CB-CG2 3.88Å; I252-T262 HydrophobicContact CD1-CG2 4.26Å; I252-T262 PolarHBondContact N-O 2.88Å; I252-T262 PolarHBondContact O-N 2.9Å; I252-Q264 HydrophobicContact CD1-CB 3.92Å; I252-Q264 HydrophobicContact CD1-CG 3.64Å; I252-M266 HydrophobicContact CD1-CE 4.12Å; I252-Y275 WeakPolarHBondContact CD1-OH 3.41Å; I252-Y275 WeakPolarHBondContact CG1-OH 3.28Å; I252-Y275 HydrophobicContact CG2-CE1 4.33Å; I252-D283 HydrophobicContact CG2-CB 3.84Å; I252-V284 WeakPolarHBondContact CA-O 3.41Å |
| 253 | G | 89.1 | Confident | 90.6 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 130.3 | 168.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V284 | G253-V284 PolarHBondContact N-O 3.1Š|
| 254 | T | 81.5 | Confident | 90.4 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -75.2 | -41.4 | -176.5 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 255 | R | 80.9 | Confident | 90.4 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | trans | -142.8 | 143.9 | -178.5 | -58.5 | 170.6 | -71.2 | -158.7 | 7.7 | 110.1 | T257 D258 W261 V330 P332 D377 | R255-T257 WeakPolarHBondContact CB-OG1 3.27Å; R255-T257 PolarHBondContact O-N 2.92Å; R255-T257 VanDerWaalsContact O-N 3.1Å; R255-D258 WeakPolarHBondContact CB-OD2 3.47Å; R255-D258 IonicContact CZ-OD1 2.94Å; R255-D258 VanDerWaalsContact CZ-OD1 3.3Å; R255-D258 IonicContact CZ-OD2 3.27Å; R255-D258 PolarHBondContact N-OD2 2.96Å; R255-D258 IonicContact NE-OD1 3.5Å; R255-D258 PolarHBondContact NE-OD1 2.9Å; R255-D258 IonicContact NE-OD2 2.9Å; R255-D258 PolarHBondContact NE-OD2 2.6Å; R255-D258 IonicContact NH2-OD1 3.75Å; R255-D258 PolarHBondContact NH2-OD1 2.84Å; R255-D258 IonicContact NH2-OD2 2.81Å; R255-D258 WeakPolarHBondContact O-CB 3.43Å; R255-D258 PolarHBondContact O-N 3.5Å; R255-W261 WeakPolarHBondContact O-CB 3.29Å; R255-V330 HydrophobicContact CG-CG1 4.28Å; R255-P332 HydrophobicContact CB-CG 3.83Å; R255-P332 HydrophobicContact CG-CG 3.98Å; R255-D377 IonicContact CZ-OD2 2.81Å; R255-D377 IonicContact NH1-OD2 3.63Å; R255-D377 PolarHBondContact NH1-OD2 2.83Å | ||
| 256 | Y | 80.6 | Confident | 90.3 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.4 | 173.2 | 64.5 | -104 | 0 | 0 | 0 | 114.3 | P332 M370 T373 | Y256-P332 HydrophobicContact CD1-CG 4.16Å; Y256-P332 HydrophobicContact CE1-CB 4.36Å; Y256-P332 VanDerWaalsContact CE1-CD 3.46Å; Y256-P332 HydrophobicContact CE1-CG 3.78Å; Y256-M370 HydrophobicContact CD2-SD 4.08Å; Y256-M370 HydrophobicContact CE2-SD 4.22Å; Y256-T373 HydrophobicContact CE2-CG2 3.98Å; Y256-T373 WeakPolarHBondContact OH-CG2 3.43Å; Y256-T373 PolarHBondContact OH-OG1 3.44Å |
| 257 | T | 79 | Confident | 90.3 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.6 | 173 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | R255 I365 M370 T373 | R255-T257 WeakPolarHBondContact CB-OG1 3.27Å; R255-T257 PolarHBondContact O-N 2.92Å; R255-T257 VanDerWaalsContact O-N 3.1Å; T257-I365 HydrophobicContact CG2-CD1 4.47Å; T257-M370 HydrophobicContact CG2-SD 4.38Å; T257-T373 HydrophobicContact CG2-CG2 3.76Å |
| 258 | D | 82.8 | Confident | 90.3 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -83.5 | 143.4 | -178.4 | -61.4 | -29.9 | 0 | 0 | 0 | 110.8 | R255 N260 W261 | R255-D258 WeakPolarHBondContact CB-OD2 3.47Å; R255-D258 IonicContact CZ-OD1 2.94Å; R255-D258 VanDerWaalsContact CZ-OD1 3.3Å; R255-D258 IonicContact CZ-OD2 3.27Å; R255-D258 PolarHBondContact N-OD2 2.96Å; R255-D258 IonicContact NE-OD1 3.5Å; R255-D258 PolarHBondContact NE-OD1 2.9Å; R255-D258 IonicContact NE-OD2 2.9Å; R255-D258 PolarHBondContact NE-OD2 2.6Å; R255-D258 IonicContact NH2-OD1 3.75Å; R255-D258 PolarHBondContact NH2-OD1 2.84Å; R255-D258 IonicContact NH2-OD2 2.81Å; R255-D258 WeakPolarHBondContact O-CB 3.43Å; R255-D258 PolarHBondContact O-N 3.5Å; D258-N260 WeakPolarHBondContact CB-OD1 3.3Å; D258-N260 PolarHBondContact O-N 2.79Å; D258-W261 VanDerWaalsContact O-CB 3.27Å; D258-W261 WeakPolarHBondContact O-CB 3.33Å; D258-W261 PolarHBondContact O-N 2.82Å; D258-W261 VanDerWaalsContact O-N 3.09Å |
| 259 | E | 81.8 | Confident | 90.2 | Very high | 207 Ų | 207 | 54.4 Ų | 54.4 | 97% | 0.967 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.2 | -176.1 | -65.8 | -174.8 | 170.5 | 0 | 0 | 114.1 | W261 | E259-W261 VanDerWaalsContact C-N 3.32Š|
| 260 | N | 85.3 | Confident | 90.1 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 1.2 | 178.9 | 67.5 | -38.4 | 0 | 0 | 0 | 113.4 | D258 | D258-N260 WeakPolarHBondContact CB-OD1 3.3Å; D258-N260 PolarHBondContact O-N 2.79Å |
| 261 | W | 89.4 | Confident | 90 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 30% | 0.295 | 29% | 0.287 | S | S | . | . | trans | -66.4 | 139.9 | 177.2 | 178.9 | 96.1 | 0 | 0 | 0 | 111.4 | E251 I252 R255 D258 E259 Q263 | E251-W261 HydrophobicContact CB-CZ2 4.21Å; E251-W261 HydrophobicContact CG-CZ2 3.62Å; E251-W261 PolarHBondContact OE2-NE1 3.11Å; I252-W261 WeakPolarHBondContact O-CA 3.42Å; R255-W261 WeakPolarHBondContact O-CB 3.29Å; D258-W261 VanDerWaalsContact O-CB 3.27Å; D258-W261 WeakPolarHBondContact O-CB 3.33Å; D258-W261 PolarHBondContact O-N 2.82Å; D258-W261 VanDerWaalsContact O-N 3.09Å; E259-W261 VanDerWaalsContact C-N 3.32Å; W261-Q263 HydrophobicContact CH2-CB 4.21Å | ||
| 262 | T | 91.4 | Very high | 90 | Very high | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 169 | 174.8 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | E251 I252 | E251-T262 CarbonylContact C-O 3.59Å; E251-T262 WeakPolarHBondContact CA-O 3.38Å; I252-T262 HydrophobicContact CB-CG2 3.88Å; I252-T262 HydrophobicContact CD1-CG2 4.26Å; I252-T262 PolarHBondContact N-O 2.88Å; I252-T262 PolarHBondContact O-N 2.9Å |
| 263 | Q | 91.7 | Very high | 89.9 | Confident | 103 Ų | 103 | 59.2 Ų | 59.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.3 | 174.9 | -166.8 | -177.2 | 33.4 | 0 | 0 | 109.6 | V250 W261 | V250-Q263 CarbonylContact O-C 3.49Å; V250-Q263 WeakPolarHBondContact O-CA 3.27Å; W261-Q263 HydrophobicContact CH2-CB 4.21Å |
| 264 | Q | 94.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.9 | 178.9 | -65.7 | -177 | 18.5 | 0 | 0 | 111 | V250 I252 M266 | V250-Q264 PolarHBondContact N-O 2.96Å; V250-Q264 PolarHBondContact O-N 3.15Å; I252-Q264 HydrophobicContact CD1-CB 3.92Å; I252-Q264 HydrophobicContact CD1-CG 3.64Å; Q264-M266 HydrophobicContact CB-CE 3.98Å |
| 265 | L | 96.2 | Very high | 90.6 | Very high | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.1 | 168.2 | -60.3 | -173.3 | 0 | 0 | 0 | 108.9 | K106 I109 T247 V248 P249 | K106-L265 HydrophobicContact CG-CD1 4.29Å; I109-L265 HydrophobicContact CD1-CD1 4.47Å; I109-L265 HydrophobicContact CD1-CD2 4.18Å; I109-L265 HydrophobicContact CG2-CD2 4.23Å; T247-L265 HydrophobicContact CG2-CB 3.81Å; V248-L265 WeakPolarHBondContact O-CA 3.45Å; P249-L265 HydrophobicContact CB-CD2 3.79Å |
| 266 | M | 96.7 | Very high | 91 | Very high | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.3 | 175.9 | 65.7 | -175.6 | 76.4 | 0 | 0 | 112.1 | T247 V248 V250 I252 Q264 F271 Y275 | T247-M266 WeakPolarHBondContact CA-O 3.5Å; V248-M266 PolarHBondContact N-O 2.82Å; V248-M266 PolarHBondContact O-N 3.35Å; V248-M266 VanDerWaalsContact O-N 3.08Å; V250-M266 HydrophobicContact CB-CE 4.11Å; V250-M266 HydrophobicContact CG1-CE 4.4Å; V250-M266 HydrophobicContact CG2-CE 4.43Å; V250-M266 HydrophobicContact CG2-CG 3.93Å; V250-M266 HydrophobicContact CG2-SD 4.26Å; I252-M266 HydrophobicContact CD1-CE 4.12Å; Q264-M266 HydrophobicContact CB-CE 3.98Å; M266-F271 HydrophobicContact CG-CB 4.05Å; M266-F271 HydrophobicContact SD-CB 3.94Å; M266-Y275 HydrophobicContact CE-CE2 4.04Å; M266-Y275 HydrophobicContact SD-CE2 3.97Å |
| 267 | P | 97.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 140.8 | 170.5 | -24.4 | 35 | 0 | 0 | 0 | 111.8 | R246 H269 Q270 F271 | R246-P267 CarbonylContact O-C 3.56Å; R246-P267 WeakPolarHBondContact O-CA 3.43Å; P267-H269 WeakPolarHBondContact CB-NE2 3.4Å; P267-H269 PolarHBondContact O-N 2.69Å; P267-Q270 HydrophobicContact CB-CB 4.35Å; P267-Q270 WeakPolarHBondContact O-CA 3.32Å; P267-Q270 WeakPolarHBondContact O-CB 3.46Å; P267-Q270 PolarHBondContact O-N 3.44Å; P267-F271 PolarHBondContact O-N 3.37Å |
| 268 | L | 97.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56 | -37.8 | -180 | -178.3 | 62.1 | 0 | 0 | 0 | 112.4 | F239 A243 G244 R246 V248 Q270 F271 V272 F324 | F239-L268 HydrophobicContact CB-CD2 4.24Å; A243-L268 HydrophobicContact CB-CD2 3.68Å; A243-L268 WeakPolarHBondContact O-CB 3.41Å; G244-L268 PolarHBondContact O-N 3.47Å; R246-L268 PolarHBondContact O-N 2.89Å; V248-L268 HydrophobicContact CG2-CB 4.44Å; V248-L268 HydrophobicContact CG2-CD1 4.25Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.31Å; L268-F271 HydrophobicContact CD1-CD1 3.99Å; L268-F271 WeakPolarHBondContact O-CB 3.27Å; L268-F271 PolarHBondContact O-N 3.21Å; L268-V272 WeakPolarHBondContact O-CG2 3.44Å; L268-V272 PolarHBondContact O-N 3.19Å; L268-F324 HydrophobicContact CD1-CD1 4.31Å; L268-F324 HydrophobicContact CD1-CE1 3.9Å |
| 269 | H | 95.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 176.8 | 76.4 | 77.5 | 0 | 0 | 0 | 112.3 | C136 L240 G244 H245 P267 A273 | C136-H269 HydrophobicContact CB-CB 4.09Å; L240-H269 HydrophobicContact CD2-CB 3.86Å; G244-H269 WeakPolarHBondContact O-CB 3.23Å; G244-H269 PolarHBondContact O-CD2 3.28Å; G244-H269 PolarHBondContact O-N 2.8Å; H245-H269 AromaticContact ND1-CD2 3.67Å; H245-H269 AromaticContact ND1-NE2 3.86Å; P267-H269 WeakPolarHBondContact CB-NE2 3.4Å; P267-H269 PolarHBondContact O-N 2.69Å; H269-A273 VanDerWaalsContact O-CB 3.26Å; H269-A273 WeakPolarHBondContact O-CB 3.4Å; H269-A273 PolarHBondContact O-N 2.78Å |
| 270 | Q | 95 | Very high | 89.1 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.5 | -40.3 | 175.6 | -177.7 | 179.2 | -13.2 | 0 | 0 | 110.4 | P267 L268 V272 A273 S274 | P267-Q270 HydrophobicContact CB-CB 4.35Å; P267-Q270 WeakPolarHBondContact O-CA 3.32Å; P267-Q270 WeakPolarHBondContact O-CB 3.46Å; P267-Q270 PolarHBondContact O-N 3.44Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.31Å; Q270-V272 PolarHBondContact O-N 2.8Å; Q270-A273 PolarHBondContact O-N 2.8Å; Q270-S274 VanDerWaalsContact O-CB 3.31Å; Q270-S274 WeakPolarHBondContact O-CB 3.27Å; Q270-S274 PolarHBondContact O-N 2.88Å; Q270-S274 PolarHBondContact O-OG 2.89Å |
| 271 | F | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.8 | -50.4 | 172.7 | 173.8 | -138.6 | 0 | 0 | 0 | 111.1 | V250 M266 P267 L268 A273 S274 Y275 F276 G285 L287 F324 | V250-F271 HydrophobicContact CB-CD2 4.32Å; V250-F271 HydrophobicContact CG1-CD2 3.59Å; V250-F271 HydrophobicContact CG1-CE2 3.53Å; V250-F271 HydrophobicContact CG1-CG 4.42Å; V250-F271 HydrophobicContact CG1-CZ 4.24Å; V250-F271 HydrophobicContact CG2-CB 4.09Å; V250-F271 HydrophobicContact CG2-CD1 4.07Å; V250-F271 HydrophobicContact CG2-CD2 3.71Å; V250-F271 HydrophobicContact CG2-CE1 4.47Å; V250-F271 HydrophobicContact CG2-CE2 4.19Å; V250-F271 HydrophobicContact CG2-CG 3.69Å; M266-F271 HydrophobicContact CG-CB 4.05Å; M266-F271 HydrophobicContact SD-CB 3.94Å; P267-F271 PolarHBondContact O-N 3.37Å; L268-F271 HydrophobicContact CD1-CD1 3.99Å; L268-F271 WeakPolarHBondContact O-CB 3.27Å; L268-F271 PolarHBondContact O-N 3.21Å; F271-A273 PolarHBondContact O-N 2.99Å; F271-S274 PolarHBondContact O-N 3.37Å; F271-Y275 AromaticContact CD2-CD2 3.53Å; F271-Y275 HydrophobicContact CD2-CD2 3.53Å; F271-Y275 HydrophobicContact CD2-CE2 4.21Å; F271-Y275 HydrophobicContact CD2-CG 4.27Å; F271-Y275 AromaticContact CE2-CD2 3.94Å; F271-Y275 HydrophobicContact CE2-CD2 3.94Å; F271-Y275 HydrophobicContact CE2-CG 4.25Å; F271-Y275 WeakPolarHBondContact O-CD2 3.46Å; F271-Y275 PolarHBondContact O-N 3.32Å; F271-Y275 VanDerWaalsContact O-N 3.13Å; F271-F276 HydrophobicContact CD1-CE2 4.13Å; F271-F276 HydrophobicContact CD2-CE2 4.24Å; F271-F276 AromaticContact CE1-CE2 3.75Å; F271-F276 HydrophobicContact CE1-CE2 3.75Å; F271-F276 AromaticContact CE1-CZ 3.96Å; F271-F276 HydrophobicContact CE1-CZ 3.96Å; F271-F276 AromaticContact CE2-CE2 3.81Å; F271-F276 HydrophobicContact CE2-CE2 3.81Å; F271-F276 HydrophobicContact CG-CE2 4.36Å; F271-F276 AromaticContact CZ-CE2 3.57Å; F271-F276 HydrophobicContact CZ-CE2 3.57Å; F271-F276 AromaticContact CZ-CZ 3.97Å; F271-F276 HydrophobicContact CZ-CZ 3.97Å; F271-G285 WeakPolarHBondContact CE2-O 3.34Å; F271-L287 HydrophobicContact CE1-CB 4.15Å; F271-F324 HydrophobicContact CD1-CD1 4.31Å; F271-F324 HydrophobicContact CD1-CE1 4.19Å; F271-F324 AromaticContact CE1-CD1 3.73Å; F271-F324 HydrophobicContact CE1-CD1 3.73Å; F271-F324 AromaticContact CE1-CE1 3.88Å; F271-F324 HydrophobicContact CE1-CE1 3.88Å |
| 272 | V | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | L138 L240 L268 Q270 S274 F276 F324 | L138-V272 HydrophobicContact CD1-CG1 4.05Å; L240-V272 HydrophobicContact CD1-CG1 4.25Å; L240-V272 HydrophobicContact CD2-CB 4.07Å; L240-V272 HydrophobicContact CD2-CG1 4.46Å; L240-V272 HydrophobicContact CD2-CG2 4.01Å; L268-V272 WeakPolarHBondContact O-CG2 3.44Å; L268-V272 PolarHBondContact O-N 3.19Å; Q270-V272 PolarHBondContact O-N 2.8Å; V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 2.97Å; V272-F276 HydrophobicContact CB-CD2 4.34Å; V272-F276 HydrophobicContact CG1-CB 4.26Å; V272-F276 HydrophobicContact CG1-CD2 4.45Å; V272-F276 HydrophobicContact CG1-CG 4.27Å; V272-F276 HydrophobicContact CG2-CD2 4.43Å; V272-F276 HydrophobicContact CG2-CE2 4.31Å; V272-F276 VanDerWaalsContact O-CB 3.29Å; V272-F276 WeakPolarHBondContact O-CB 3.33Å; V272-F276 PolarHBondContact O-N 3.1Å; V272-F276 VanDerWaalsContact O-N 3.14Å; V272-F324 HydrophobicContact CG2-CE1 4.4Å; V272-F324 HydrophobicContact CG2-CZ 4.44Å |
| 273 | A | 92.2 | Very high | 88 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P139 H269 Q270 F271 | P139-A273 HydrophobicContact CG-CB 3.92Å; H269-A273 VanDerWaalsContact O-CB 3.26Å; H269-A273 WeakPolarHBondContact O-CB 3.4Å; H269-A273 PolarHBondContact O-N 2.78Å; Q270-A273 PolarHBondContact O-N 2.8Å; F271-A273 PolarHBondContact O-N 2.99Å |
| 274 | S | 92.3 | Very high | 87.9 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.8 | -36.6 | -175.9 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | Q270 F271 V272 G280 S281 | Q270-S274 VanDerWaalsContact O-CB 3.31Å; Q270-S274 WeakPolarHBondContact O-CB 3.27Å; Q270-S274 PolarHBondContact O-N 2.88Å; Q270-S274 PolarHBondContact O-OG 2.89Å; F271-S274 PolarHBondContact O-N 3.37Å; V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 2.97Å; S274-G280 CarbonylContact O-C 3.55Å; S274-G280 VanDerWaalsContact O-CA 3.28Å; S274-G280 WeakPolarHBondContact O-CA 3.42Å; S274-S281 PolarHBondContact O-N 2.99Å |
| 275 | Y | 92.6 | Very high | 87.9 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 13% | 0.125 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -116.8 | -7 | -166.4 | -61.1 | -79.8 | 0 | 0 | 0 | 114.8 | I252 M266 F271 D283 G285 P326 | I252-Y275 WeakPolarHBondContact CD1-OH 3.41Å; I252-Y275 WeakPolarHBondContact CG1-OH 3.28Å; I252-Y275 HydrophobicContact CG2-CE1 4.33Å; M266-Y275 HydrophobicContact CE-CE2 4.04Å; M266-Y275 HydrophobicContact SD-CE2 3.97Å; F271-Y275 AromaticContact CD2-CD2 3.53Å; F271-Y275 HydrophobicContact CD2-CD2 3.53Å; F271-Y275 HydrophobicContact CD2-CE2 4.21Å; F271-Y275 HydrophobicContact CD2-CG 4.27Å; F271-Y275 AromaticContact CE2-CD2 3.94Å; F271-Y275 HydrophobicContact CE2-CD2 3.94Å; F271-Y275 HydrophobicContact CE2-CG 4.25Å; F271-Y275 WeakPolarHBondContact O-CD2 3.46Å; F271-Y275 PolarHBondContact O-N 3.32Å; F271-Y275 VanDerWaalsContact O-N 3.13Å; Y275-D283 WeakPolarHBondContact CD1-O 3.15Å; Y275-D283 HydrophobicContact CE1-CB 4.49Å; Y275-G285 VanDerWaalsContact CD1-N 3.25Å; Y275-P326 WeakPolarHBondContact O-CB 3.42Å; Y275-P326 WeakPolarHBondContact O-CG 3.35Å |
| 276 | F | 89.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -106.8 | 145.6 | -179.5 | -63.8 | -122.9 | 0 | 0 | 0 | 110.5 | C142 L236 F271 V272 F324 P326 T420 | C142-F276 VanDerWaalsContact SG-C 3.56Å; C142-F276 PolarHBondContact SG-O 2.84Å; C142-F276 VanDerWaalsContact SG-O 3.35Å; L236-F276 HydrophobicContact CD1-CD1 4.06Å; L236-F276 HydrophobicContact CD2-CD1 3.89Å; L236-F276 HydrophobicContact CD2-CE1 3.72Å; F271-F276 HydrophobicContact CD1-CE2 4.13Å; F271-F276 HydrophobicContact CD2-CE2 4.24Å; F271-F276 AromaticContact CE1-CE2 3.75Å; F271-F276 HydrophobicContact CE1-CE2 3.75Å; F271-F276 AromaticContact CE1-CZ 3.96Å; F271-F276 HydrophobicContact CE1-CZ 3.96Å; F271-F276 AromaticContact CE2-CE2 3.81Å; F271-F276 HydrophobicContact CE2-CE2 3.81Å; F271-F276 HydrophobicContact CG-CE2 4.36Å; F271-F276 AromaticContact CZ-CE2 3.57Å; F271-F276 HydrophobicContact CZ-CE2 3.57Å; F271-F276 AromaticContact CZ-CZ 3.97Å; F271-F276 HydrophobicContact CZ-CZ 3.97Å; V272-F276 HydrophobicContact CB-CD2 4.34Å; V272-F276 HydrophobicContact CG1-CB 4.26Å; V272-F276 HydrophobicContact CG1-CD2 4.45Å; V272-F276 HydrophobicContact CG1-CG 4.27Å; V272-F276 HydrophobicContact CG2-CD2 4.43Å; V272-F276 HydrophobicContact CG2-CE2 4.31Å; V272-F276 VanDerWaalsContact O-CB 3.29Å; V272-F276 WeakPolarHBondContact O-CB 3.33Å; V272-F276 PolarHBondContact O-N 3.1Å; V272-F276 VanDerWaalsContact O-N 3.14Å; F276-F324 HydrophobicContact CE1-CE1 4.4Å; F276-F324 AromaticContact CE1-CE2 3.83Å; F276-F324 HydrophobicContact CE1-CE2 3.83Å; F276-F324 AromaticContact CE1-CZ 3.63Å; F276-F324 HydrophobicContact CE1-CZ 3.63Å; F276-F324 HydrophobicContact CZ-CD1 4.45Å; F276-F324 AromaticContact CZ-CE1 3.78Å; F276-F324 HydrophobicContact CZ-CE1 3.78Å; F276-F324 AromaticContact CZ-CE2 3.91Å; F276-F324 HydrophobicContact CZ-CE2 3.91Å; F276-F324 AromaticContact CZ-CZ 3.47Å; F276-F324 HydrophobicContact CZ-CZ 3.47Å; F276-F324 VanDerWaalsContact CZ-CZ 3.47Å; F276-P326 HydrophobicContact CD1-CB 4.25Å; F276-P326 HydrophobicContact CE1-CB 4.49Å; F276-P326 HydrophobicContact CG-CB 4.26Å; F276-T420 HydrophobicContact CD1-CG2 3.81Å; F276-T420 HydrophobicContact CE1-CG2 3.57Å |
| 277 | G | 78.7 | Confident | 88 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 92.5 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N279 G280 | G277-N279 VanDerWaalsContact C-N 3.27Å; G277-N279 PolarHBondContact O-N 3.49Å; G277-G280 PolarHBondContact O-N 3.35Å |
| 278 | E | 70.8 | Confident | 87.9 | Confident | 188 Ų | 188 | 48.2 Ų | 48.2 | 88% | 0.879 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.9 | -169.7 | -65.8 | -179.1 | 167 | 0 | 0 | 115.1 | ||
| 279 | N | 65.9 | Low | 87.6 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 41.8 | 179.5 | -54.5 | -74 | 0 | 0 | 0 | 111.1 | K141 G277 | K141-N279 HydrophobicContact CD-CB 4.11Å; G277-N279 VanDerWaalsContact C-N 3.27Å; G277-N279 PolarHBondContact O-N 3.49Å |
| 280 | G | 68.1 | Low | 87.6 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -72.6 | -174 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S274 G277 | S274-G280 CarbonylContact O-C 3.55Å; S274-G280 VanDerWaalsContact O-CA 3.28Å; S274-G280 WeakPolarHBondContact O-CA 3.42Å; G277-G280 PolarHBondContact O-N 3.35Å |
| 281 | S | 77.7 | Confident | 87.6 | Confident | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | trans | -53.8 | 151.5 | 169.9 | -168 | 0 | 0 | 0 | 0 | 111.3 | S274 D283 | S274-S281 PolarHBondContact O-N 2.99Å; S281-D283 PolarHBondContact O-N 3.46Å; S281-D283 PolarHBondContact OG-N 3.03Å | ||
| 282 | D | 78.9 | Confident | 87.6 | Confident | 170 Ų | 170 | 51.4 Ų | 51.4 | 91% | 0.909 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -65.6 | -27.1 | 169.8 | -68.2 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 283 | D | 86.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -80.2 | 152.1 | 171.9 | -69.5 | -48.4 | 0 | 0 | 0 | 112.2 | I252 Y275 S281 | I252-D283 HydrophobicContact CG2-CB 3.84Å; Y275-D283 WeakPolarHBondContact CD1-O 3.15Å; Y275-D283 HydrophobicContact CE1-CB 4.49Å; S281-D283 PolarHBondContact O-N 3.46Å; S281-D283 PolarHBondContact OG-N 3.03Å |
| 284 | V | 88.9 | Confident | 87.6 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 127.7 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | I252 G253 P326 T329 | I252-V284 WeakPolarHBondContact CA-O 3.41Å; G253-V284 PolarHBondContact N-O 3.1Å; V284-P326 HydrophobicContact CG1-CG 4.35Å; V284-T329 HydrophobicContact CG1-CG2 3.54Å |
| 285 | G | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | E251 F271 Y275 P326 | E251-G285 CarbonylContact O-C 3.57Å; E251-G285 VanDerWaalsContact O-CA 3.28Å; E251-G285 WeakPolarHBondContact O-CA 3.43Å; F271-G285 WeakPolarHBondContact CE2-O 3.34Å; Y275-G285 VanDerWaalsContact CD1-N 3.25Å; G285-P326 WeakPolarHBondContact O-CD 3.39Å |
| 286 | Y | 96.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 121.9 | -178.1 | -166.4 | -161.5 | 0 | 0 | 0 | 111.7 | E251 A288 W323 F324 T329 K349 | E251-Y286 WeakPolarHBondContact CB-O 3.44Å; E251-Y286 PolarHBondContact N-O 2.93Å; E251-Y286 PolarHBondContact O-N 3.41Å; Y286-A288 HydrophobicContact CD1-CB 3.8Å; Y286-A288 HydrophobicContact CE1-CB 3.98Å; Y286-A288 HydrophobicContact CG-CB 4.12Å; Y286-A288 PolarHBondContact O-N 3.38Å; Y286-W323 AromaticContact CE1-CE3 3.85Å; Y286-W323 HydrophobicContact CE1-CE3 3.85Å; Y286-W323 HydrophobicContact CE1-CZ3 4.24Å; Y286-W323 HydrophobicContact CE2-CB 4.19Å; Y286-W323 HydrophobicContact CE2-CE3 4.43Å; Y286-W323 AromaticContact CZ-CE3 3.62Å; Y286-W323 VanDerWaalsContact OH-CE3 3.31Å; Y286-F324 WeakPolarHBondContact CD2-O 3.09Å; Y286-T329 HydrophobicContact CD1-CG2 4.28Å; Y286-T329 HydrophobicContact CD2-CG2 3.67Å; Y286-T329 HydrophobicContact CE2-CG2 4.26Å; Y286-T329 HydrophobicContact CG-CG2 3.68Å; Y286-K349 PolarHBondContact OH-NZ 2.85Å |
| 287 | L | 97.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 110.9 | 163.5 | -175.6 | 166.2 | 0 | 0 | 0 | 106.8 | V248 F271 Y290 L292 A322 W323 F324 | V248-L287 HydrophobicContact CB-CD1 3.82Å; V248-L287 HydrophobicContact CG1-CD1 4.04Å; V248-L287 HydrophobicContact CG2-CD1 4.17Å; F271-L287 HydrophobicContact CE1-CB 4.15Å; L287-Y290 HydrophobicContact CD2-CD1 4.41Å; L287-L292 HydrophobicContact CD1-CD1 4.3Å; L287-L292 HydrophobicContact CD1-CD2 4.24Å; L287-A322 HydrophobicContact CD2-CB 4.16Å; L287-W323 CarbonylContact O-C 3.58Å; L287-W323 WeakPolarHBondContact O-CA 3.45Å; L287-F324 HydrophobicContact CB-CB 4.27Å; L287-F324 WeakPolarHBondContact CB-O 3.35Å; L287-F324 PolarHBondContact N-O 2.89Å; L287-F324 PolarHBondContact O-N 3.34Å |
| 288 | A | 95.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E251 Y286 Y290 W323 | E251-A288 HydrophobicContact CG-CB 4.4Å; Y286-A288 HydrophobicContact CD1-CB 3.8Å; Y286-A288 HydrophobicContact CE1-CB 3.98Å; Y286-A288 HydrophobicContact CG-CB 4.12Å; Y286-A288 PolarHBondContact O-N 3.38Å; A288-Y290 VanDerWaalsContact C-N 3.26Å; A288-Y290 PolarHBondContact O-N 2.76Å; A288-Y290 VanDerWaalsContact O-N 3.13Å; A288-W323 HydrophobicContact CB-CE3 3.55Å; A288-W323 HydrophobicContact CB-CZ3 3.49Å; A288-W323 VanDerWaalsContact CB-CZ3 3.49Å |
| 289 | Q | 92.6 | Very high | 90.1 | Very high | 115 Ų | 115 | 44.7 Ų | 44.7 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 46 | 47 | 173.5 | -174.3 | 159.2 | 44.7 | 0 | 0 | 113.7 | A322 W323 W427 | Q289-A322 PolarHBondContact N-O 3.18Å; Q289-W323 HydrophobicContact CB-CH2 3.85Å; Q289-W323 HydrophobicContact CB-CZ2 4.1Å; Q289-W323 HydrophobicContact CB-CZ3 4.36Å; Q289-W427 HydrophobicContact CB-CH2 4.42Å; Q289-W427 HydrophobicContact CG-CH2 3.71Å; Q289-W427 HydrophobicContact CG-CZ3 4.08Å |
| 290 | Y | 95.2 | Very high | 91.5 | Very high | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.7 | -177.4 | -177.7 | -113.6 | 0 | 0 | 0 | 111.7 | I109 P249 L287 A288 L292 Q295 A322 | I109-Y290 WeakPolarHBondContact CG1-OH 3.42Å; P249-Y290 HydrophobicContact CG-CD1 3.89Å; P249-Y290 HydrophobicContact CG-CD2 3.55Å; P249-Y290 HydrophobicContact CG-CE1 4.21Å; P249-Y290 HydrophobicContact CG-CE2 3.91Å; P249-Y290 HydrophobicContact CG-CG 3.56Å; L287-Y290 HydrophobicContact CD2-CD1 4.41Å; A288-Y290 VanDerWaalsContact C-N 3.26Å; A288-Y290 PolarHBondContact O-N 2.76Å; A288-Y290 VanDerWaalsContact O-N 3.13Å; Y290-L292 HydrophobicContact CD1-CB 3.91Å; Y290-L292 HydrophobicContact CD1-CD1 4.06Å; Y290-L292 HydrophobicContact CE1-CB 4.22Å; Y290-L292 HydrophobicContact CE1-CD1 3.88Å; Y290-L292 PolarHBondContact O-N 2.9Å; Y290-Q295 HydrophobicContact CE1-CB 4.3Å; Y290-Q295 VanDerWaalsContact OH-CD 3.29Å; Y290-Q295 PolarHBondContact OH-OE1 2.97Å; Y290-A322 PolarHBondContact O-N 3.42Å |
| 291 | D | 93.8 | Very high | 92.8 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | trans | -75.4 | 69.9 | 172.9 | -169.6 | -6.7 | 0 | 0 | 0 | 110.7 | F293 E294 Q295 N321 | D291-F293 PolarHBondContact O-N 2.96Å; D291-F293 PolarHBondContact OD1-N 2.94Å; D291-E294 PolarHBondContact OD1-N 2.76Å; D291-E294 WeakPolarHBondContact OD2-CB 3.5Å; D291-Q295 PolarHBondContact O-N 2.91Å; D291-N321 PolarHBondContact N-OD1 2.85Å | ||
| 292 | L | 96.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -22 | 176.8 | -171.4 | 63.8 | 0 | 0 | 0 | 111.8 | V248 L287 Y290 Q295 I296 L299 A322 F422 | V248-L292 HydrophobicContact CG1-CD1 3.89Å; L287-L292 HydrophobicContact CD1-CD1 4.3Å; L287-L292 HydrophobicContact CD1-CD2 4.24Å; Y290-L292 HydrophobicContact CD1-CB 3.91Å; Y290-L292 HydrophobicContact CD1-CD1 4.06Å; Y290-L292 HydrophobicContact CE1-CB 4.22Å; Y290-L292 HydrophobicContact CE1-CD1 3.88Å; Y290-L292 PolarHBondContact O-N 2.9Å; L292-Q295 PolarHBondContact O-N 2.96Å; L292-I296 HydrophobicContact CD1-CD1 3.6Å; L292-I296 HydrophobicContact CD1-CG1 4.07Å; L292-I296 HydrophobicContact CG-CD1 4.16Å; L292-I296 HydrophobicContact CG-CG1 4.47Å; L292-I296 WeakPolarHBondContact O-CB 3.25Å; L292-I296 PolarHBondContact O-N 3.24Å; L292-L299 HydrophobicContact CD2-CD1 3.78Å; L292-L299 HydrophobicContact CG-CD1 4.01Å; L292-A322 HydrophobicContact CB-CB 3.74Å; L292-A322 HydrophobicContact CD2-CB 4.14Å; L292-F422 HydrophobicContact CD2-CE2 4.12Å; L292-F422 HydrophobicContact CD2-CZ 4.01Å |
| 293 | F | 95.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.6 | -37 | -173.5 | -61.8 | -69 | 0 | 0 | 0 | 112.1 | W234 D291 Q295 I296 L299 R300 I303 V320 A322 F422 V424 | W234-F293 AromaticContact CH2-CE1 3.71Å; W234-F293 HydrophobicContact CH2-CE1 3.71Å; W234-F293 HydrophobicContact CH2-CZ 4.06Å; W234-F293 HydrophobicContact CZ2-CE1 4.21Å; D291-F293 PolarHBondContact O-N 2.96Å; D291-F293 PolarHBondContact OD1-N 2.94Å; F293-Q295 VanDerWaalsContact C-N 3.35Å; F293-I296 CarbonylContact O-C 3.57Å; F293-L299 HydrophobicContact CD1-CB 4.05Å; F293-L299 HydrophobicContact CE1-CB 4.2Å; F293-R300 HydrophobicContact CB-CB 3.95Å; F293-R300 HydrophobicContact CB-CG 4.31Å; F293-R300 HydrophobicContact CD1-CB 4.39Å; F293-I303 HydrophobicContact CD1-CD1 3.77Å; F293-I303 HydrophobicContact CD1-CG1 4.36Å; F293-I303 HydrophobicContact CD2-CD1 4.32Å; F293-I303 HydrophobicContact CE1-CD1 3.44Å; F293-I303 VanDerWaalsContact CE1-CD1 3.44Å; F293-I303 HydrophobicContact CE1-CG1 4.18Å; F293-I303 HydrophobicContact CE2-CD1 4.02Å; F293-I303 HydrophobicContact CG-CD1 4.2Å; F293-I303 HydrophobicContact CZ-CD1 3.57Å; F293-V320 HydrophobicContact CD2-CB 4.3Å; F293-V320 HydrophobicContact CD2-CG1 3.55Å; F293-V320 HydrophobicContact CE2-CG1 3.79Å; F293-V320 HydrophobicContact CG-CG1 4.38Å; F293-A322 HydrophobicContact CE2-CB 3.91Å; F293-A322 HydrophobicContact CZ-CB 4.24Å; F293-F422 HydrophobicContact CZ-CE1 4.04Å; F293-F422 HydrophobicContact CZ-CZ 4.28Å; F293-V424 HydrophobicContact CE2-CG1 3.75Å; F293-V424 HydrophobicContact CE2-CG2 4.07Å; F293-V424 HydrophobicContact CZ-CB 4.5Å; F293-V424 HydrophobicContact CZ-CG1 4.08Å; F293-V424 HydrophobicContact CZ-CG2 3.61Å |
| 294 | E | 91.5 | Very high | 95.1 | Very high | 120 Ų | 120 | 37.1 Ų | 37.1 | 56% | 0.561 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.1 | -38.8 | 169.2 | -172.6 | 61.8 | -162.6 | 0 | 0 | 111 | T120 D291 | T120-E294 VanDerWaalsContact CG2-O 3.31Å; T120-E294 WeakPolarHBondContact CG2-O 3.48Å; D291-E294 PolarHBondContact OD1-N 2.76Å; D291-E294 WeakPolarHBondContact OD2-CB 3.5Å |
| 295 | Q | 94.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -38 | 177.4 | -162.8 | -160.9 | -6.8 | 0 | 0 | 112.3 | D105 L108 R246 T247 Y290 D291 L292 F293 | D105-Q295 VanDerWaalsContact CG-NE2 3.28Å; D105-Q295 PolarHBondContact OD1-NE2 3.03Å; L108-Q295 HydrophobicContact CB-CG 4.25Å; L108-Q295 HydrophobicContact CD1-CG 4.06Å; R246-Q295 PolarHBondContact NH1-O 3.17Å; R246-Q295 PolarHBondContact NH2-O 3.37Å; T247-Q295 PolarHBondContact O-NE2 3.35Å; Y290-Q295 HydrophobicContact CE1-CB 4.3Å; Y290-Q295 VanDerWaalsContact OH-CD 3.29Å; Y290-Q295 PolarHBondContact OH-OE1 2.97Å; D291-Q295 PolarHBondContact O-N 2.91Å; L292-Q295 PolarHBondContact O-N 2.96Å; F293-Q295 VanDerWaalsContact C-N 3.35Å |
| 296 | I | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -128 | 81.3 | -173.3 | -44.9 | -174 | 0 | 0 | 0 | 109.8 | A243 R246 L292 F293 E298 L299 R300 | A243-I296 HydrophobicContact CB-CD1 3.69Å; R246-I296 HydrophobicContact CB-CD1 4.19Å; R246-I296 HydrophobicContact CG-CD1 4.15Å; L292-I296 HydrophobicContact CD1-CD1 3.6Å; L292-I296 HydrophobicContact CD1-CG1 4.07Å; L292-I296 HydrophobicContact CG-CD1 4.16Å; L292-I296 HydrophobicContact CG-CG1 4.47Å; L292-I296 WeakPolarHBondContact O-CB 3.25Å; L292-I296 PolarHBondContact O-N 3.24Å; F293-I296 CarbonylContact O-C 3.57Å; I296-E298 WeakPolarHBondContact CG2-OE2 3.4Å; I296-E298 PolarHBondContact O-N 2.97Å; I296-L299 HydrophobicContact CB-CD1 4.09Å; I296-L299 HydrophobicContact CB-CG 4.3Å; I296-L299 HydrophobicContact CD1-CD1 4.18Å; I296-L299 HydrophobicContact CG2-CB 4.47Å; I296-L299 HydrophobicContact CG2-CD1 4.1Å; I296-L299 HydrophobicContact CG2-CG 3.94Å; I296-L299 WeakPolarHBondContact O-CB 3.46Å; I296-L299 PolarHBondContact O-N 3.33Å; I296-R300 PolarHBondContact O-N 2.92Å | ||
| 297 | P | 93.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.9 | -25.7 | -175.8 | -28.4 | 37.3 | 0 | 0 | 0 | 114.5 | T120 L299 R300 N301 | T120-P297 HydrophobicContact CG2-CG 4.35Å; P297-L299 VanDerWaalsContact C-N 3.28Å; P297-L299 PolarHBondContact O-N 3.35Å; P297-R300 WeakPolarHBondContact O-CB 3.37Å; P297-R300 PolarHBondContact O-N 2.83Å; P297-R300 VanDerWaalsContact O-N 3.12Å; P297-N301 VanDerWaalsContact O-CG 3.25Å; P297-N301 PolarHBondContact O-N 2.79Å; P297-N301 PolarHBondContact O-ND2 3.14Å |
| 298 | E | 95.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -32.3 | 176.1 | -55.8 | 90.6 | 154.2 | 0 | 0 | 112.6 | T124 L242 I296 | T124-E298 WeakPolarHBondContact CB-OE1 2.97Å; T124-E298 WeakPolarHBondContact CG2-OE1 3.43Å; T124-E298 PolarHBondContact OG1-OE1 3.08Å; L242-E298 HydrophobicContact CD1-CB 3.71Å; L242-E298 HydrophobicContact CD1-CG 4.18Å; L242-E298 HydrophobicContact CD2-CB 4.03Å; L242-E298 HydrophobicContact CG-CB 4.24Å; I296-E298 WeakPolarHBondContact CG2-OE2 3.4Å; I296-E298 PolarHBondContact O-N 2.97Å |
| 299 | L | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.6 | -38.3 | 170.2 | -69 | 177.1 | 0 | 0 | 0 | 111.2 | W234 Y238 F239 L242 L292 F293 I296 P297 N301 D302 | W234-L299 HydrophobicContact CZ2-CB 4.34Å; W234-L299 HydrophobicContact CZ2-CD2 4.06Å; Y238-L299 HydrophobicContact CE1-CD2 4Å; F239-L299 HydrophobicContact CD1-CD2 4.02Å; F239-L299 HydrophobicContact CE1-CD2 3.91Å; L242-L299 HydrophobicContact CD2-CD2 3.43Å; L242-L299 VanDerWaalsContact CD2-CD2 3.43Å; L242-L299 HydrophobicContact CD2-CG 3.71Å; L292-L299 HydrophobicContact CD2-CD1 3.78Å; L292-L299 HydrophobicContact CG-CD1 4.01Å; F293-L299 HydrophobicContact CD1-CB 4.05Å; F293-L299 HydrophobicContact CE1-CB 4.2Å; I296-L299 HydrophobicContact CB-CD1 4.09Å; I296-L299 HydrophobicContact CB-CG 4.3Å; I296-L299 HydrophobicContact CD1-CD1 4.18Å; I296-L299 HydrophobicContact CG2-CB 4.47Å; I296-L299 HydrophobicContact CG2-CD1 4.1Å; I296-L299 HydrophobicContact CG2-CG 3.94Å; I296-L299 WeakPolarHBondContact O-CB 3.46Å; I296-L299 PolarHBondContact O-N 3.33Å; P297-L299 VanDerWaalsContact C-N 3.28Å; P297-L299 PolarHBondContact O-N 3.35Å; L299-N301 PolarHBondContact O-N 2.93Å; L299-D302 WeakPolarHBondContact O-CB 3.3Å; L299-D302 PolarHBondContact O-N 3.37Å |
| 300 | R | 95.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 41.2 Ų | 41.2 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -26.8 | 177.8 | -178.1 | 50.1 | 179.6 | 67.5 | 5.8 | 112.9 | F293 I296 P297 D302 I303 | F293-R300 HydrophobicContact CB-CB 3.95Å; F293-R300 HydrophobicContact CB-CG 4.31Å; F293-R300 HydrophobicContact CD1-CB 4.39Å; I296-R300 PolarHBondContact O-N 2.92Å; P297-R300 WeakPolarHBondContact O-CB 3.37Å; P297-R300 PolarHBondContact O-N 2.83Å; P297-R300 VanDerWaalsContact O-N 3.12Å; R300-D302 VanDerWaalsContact C-N 3.26Å; R300-D302 PolarHBondContact O-N 2.92Å; R300-I303 VanDerWaalsContact O-O 3.11Å |
| 301 | N | 96.2 | Very high | 95.5 | Very high | 119 Ų | 119 | 42.1 Ų | 42.1 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.8 | 175.4 | -67.5 | -30.4 | 0 | 0 | 0 | 113.8 | P297 L299 | P297-N301 VanDerWaalsContact O-CG 3.25Å; P297-N301 PolarHBondContact O-N 2.79Å; P297-N301 PolarHBondContact O-ND2 3.14Å; L299-N301 PolarHBondContact O-N 2.93Å |
| 302 | D | 97.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.9 | -178.2 | -69.3 | -23.8 | 0 | 0 | 0 | 113.8 | P229 A230 K233 W234 Y238 L299 R300 | P229-D302 HydrophobicContact CB-CB 4.4Å; P229-D302 VanDerWaalsContact CD-O 3.3Å; P229-D302 WeakPolarHBondContact CD-O 3.49Å; A230-D302 HydrophobicContact CB-CB 4.13Å; A230-D302 WeakPolarHBondContact CB-O 3.31Å; A230-D302 PolarHBondContact N-O 2.89Å; A230-D302 VanDerWaalsContact N-O 3.13Å; K233-D302 WeakPolarHBondContact CD-OD1 3.31Å; K233-D302 IonicContact NZ-OD1 2.82Å; K233-D302 PolarHBondContact NZ-OD1 2.84Å; K233-D302 IonicContact NZ-OD2 3.34Å; K233-D302 PolarHBondContact NZ-OD2 2.82Å; W234-D302 HydrophobicContact CZ2-CB 3.94Å; W234-D302 PolarHBondContact NE1-OD2 2.82Å; Y238-D302 PolarHBondContact OH-OD2 3.44Å; L299-D302 WeakPolarHBondContact O-CB 3.3Å; L299-D302 PolarHBondContact O-N 3.37Å; R300-D302 VanDerWaalsContact C-N 3.26Å; R300-D302 PolarHBondContact O-N 2.92Å |
| 303 | I | 97.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | trans | -134.7 | 165.4 | -178.6 | 66.8 | 166.5 | 0 | 0 | 0 | 110.6 | W228 A230 W234 F293 R300 V320 V424 F426 | W228-I303 HydrophobicContact CD2-CB 3.94Å; W228-I303 HydrophobicContact CD2-CG2 3.98Å; W228-I303 HydrophobicContact CE3-CB 3.84Å; W228-I303 HydrophobicContact CE3-CG2 3.43Å; W228-I303 VanDerWaalsContact CE3-CG2 3.43Å; W228-I303 HydrophobicContact CH2-CB 4.05Å; W228-I303 HydrophobicContact CH2-CG2 4.22Å; W228-I303 HydrophobicContact CZ2-CB 4.16Å; W228-I303 HydrophobicContact CZ3-CB 3.88Å; W228-I303 HydrophobicContact CZ3-CG2 3.55Å; A230-I303 HydrophobicContact CB-CG2 3.97Å; W234-I303 HydrophobicContact CH2-CG2 3.62Å; W234-I303 HydrophobicContact CZ2-CG2 3.84Å; W234-I303 HydrophobicContact CZ3-CG2 4.48Å; F293-I303 HydrophobicContact CD1-CD1 3.77Å; F293-I303 HydrophobicContact CD1-CG1 4.36Å; F293-I303 HydrophobicContact CD2-CD1 4.32Å; F293-I303 HydrophobicContact CE1-CD1 3.44Å; F293-I303 VanDerWaalsContact CE1-CD1 3.44Å; F293-I303 HydrophobicContact CE1-CG1 4.18Å; F293-I303 HydrophobicContact CE2-CD1 4.02Å; F293-I303 HydrophobicContact CG-CD1 4.2Å; F293-I303 HydrophobicContact CZ-CD1 3.57Å; R300-I303 VanDerWaalsContact O-O 3.11Å; I303-V320 HydrophobicContact CD1-CG1 4.26Å; I303-V424 HydrophobicContact CD1-CG1 4.16Å; I303-V424 HydrophobicContact CD1-CG2 4.4Å; I303-F426 HydrophobicContact CD1-CZ 4.28Å | ||
| 304 | A | 96.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | trans | -137.3 | 150.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | W228 P306 | W228-A304 WeakPolarHBondContact CZ2-O 3.05Å; W228-A304 PolarHBondContact NE1-O 2.78Å; A304-P306 WeakPolarHBondContact O-CD 3.45Å | ||
| 305 | V | 96.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | trans | -61 | 125.9 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | E307 C309 V318 V320 F426 | V305-E307 PolarHBondContact O-N 3.03Å; V305-C309 HydrophobicContact CG1-CB 3.86Å; V305-V318 HydrophobicContact CG1-CB 4.25Å; V305-V318 HydrophobicContact CG1-CG1 4.21Å; V305-V318 HydrophobicContact CG1-CG2 3.99Å; V305-V320 HydrophobicContact CG2-CG2 4.4Å; V305-F426 HydrophobicContact CB-CD1 4.49Å; V305-F426 HydrophobicContact CB-CE1 4.48Å; V305-F426 HydrophobicContact CG1-CD1 4.37Å; V305-F426 HydrophobicContact CG2-CD1 4.26Å; V305-F426 HydrophobicContact CG2-CE1 4.21Å | ||
| 306 | P | 97.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | trans | -58.3 | 136.6 | 177.6 | -24.4 | 33.5 | 0 | 0 | 0 | 111.6 | L225 A304 Y308 C309 L341 L404 F426 | L225-P306 HydrophobicContact CD2-CG 4.2Å; A304-P306 WeakPolarHBondContact O-CD 3.45Å; P306-Y308 HydrophobicContact CB-CD2 4.4Å; P306-Y308 PolarHBondContact O-N 2.73Å; P306-C309 WeakPolarHBondContact O-CB 3.5Å; P306-C309 PolarHBondContact O-N 3.46Å; P306-L341 HydrophobicContact CB-CD1 3.88Å; P306-L341 HydrophobicContact CG-CD1 4.28Å; P306-L404 HydrophobicContact CB-CD2 3.92Å; P306-L404 HydrophobicContact CG-CD1 4.1Å; P306-L404 HydrophobicContact CG-CD2 4.12Å; P306-F426 HydrophobicContact CG-CD2 3.91Å; P306-F426 HydrophobicContact CG-CE2 3.98Å; P306-F426 HydrophobicContact CG-CG 4.27Å; P306-F426 HydrophobicContact CG-CZ 4.36Å | ||
| 307 | E | 94.8 | Very high | 93.9 | Very high | 146 Ų | 146 | 51.3 Ų | 51.3 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -55.4 | -31.8 | -175.9 | -66.2 | -178.3 | 154.4 | 0 | 0 | 112.5 | M203 V305 C309 C310 | M203-E307 HydrophobicContact CE-CB 4.36Å; M203-E307 WeakPolarHBondContact CE-O 3.48Å; M203-E307 HydrophobicContact SD-CB 4.02Å; V305-E307 PolarHBondContact O-N 3.03Å; E307-C309 PolarHBondContact O-N 2.83Å; E307-C310 WeakPolarHBondContact O-CA 3.4Å; E307-C310 WeakPolarHBondContact O-CB 3.43Å; E307-C310 PolarHBondContact O-N 3Å; E307-C310 PolarHBondContact O-SG 2.93Å; E307-C310 VanDerWaalsContact O-SG 3.34Å |
| 308 | Y | 97.1 | Very high | 94 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56.7 | -30.7 | 178.6 | -53.3 | -67 | 0 | 0 | 0 | 114.1 | P201 M203 F206 I221 A224 P306 C310 L311 L341 L404 | P201-Y308 WeakPolarHBondContact CD-OH 3.28Å; P201-Y308 HydrophobicContact CG-CE1 4.07Å; P201-Y308 WeakPolarHBondContact O-CE1 3.35Å; P201-Y308 PolarHBondContact O-OH 3.15Å; P201-Y308 VanDerWaalsContact O-OH 3.05Å; M203-Y308 HydrophobicContact SD-CD1 3.53Å; M203-Y308 VanDerWaalsContact SD-CD1 3.53Å; M203-Y308 HydrophobicContact SD-CE1 4.03Å; M203-Y308 HydrophobicContact SD-CG 4.25Å; F206-Y308 HydrophobicContact CB-CD1 3.7Å; F206-Y308 HydrophobicContact CB-CE1 3.85Å; F206-Y308 AromaticContact CD1-CD1 3.69Å; F206-Y308 HydrophobicContact CD1-CD1 3.69Å; F206-Y308 HydrophobicContact CD1-CG 4.05Å; F206-Y308 HydrophobicContact CD2-CD1 4.25Å; F206-Y308 HydrophobicContact CE1-CD1 4.4Å; F206-Y308 HydrophobicContact CE1-CG 4.32Å; F206-Y308 AromaticContact CG-CD1 3.59Å; F206-Y308 HydrophobicContact CG-CD1 3.59Å; F206-Y308 HydrophobicContact CG-CE1 4.11Å; F206-Y308 HydrophobicContact CG-CG 4.18Å; I221-Y308 HydrophobicContact CD1-CD2 4.13Å; I221-Y308 HydrophobicContact CD1-CE2 3.9Å; I221-Y308 HydrophobicContact CG2-CE2 4.17Å; A224-Y308 HydrophobicContact CB-CE2 3.81Å; P306-Y308 HydrophobicContact CB-CD2 4.4Å; P306-Y308 PolarHBondContact O-N 2.73Å; Y308-C310 PolarHBondContact O-N 3.37Å; Y308-L311 PolarHBondContact O-N 3.11Å; Y308-L341 HydrophobicContact CD2-CD1 4.38Å; Y308-L404 HydrophobicContact CD2-CD2 3.95Å; Y308-L404 HydrophobicContact CE2-CD2 4.1Å |
| 309 | C | 96 | Very high | 94 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -60.6 | -31.4 | 173.9 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | V305 P306 E307 L311 V312 S313 V318 L341 F428 | V305-C309 HydrophobicContact CG1-CB 3.86Å; P306-C309 WeakPolarHBondContact O-CB 3.5Å; P306-C309 PolarHBondContact O-N 3.46Å; E307-C309 PolarHBondContact O-N 2.83Å; C309-L311 PolarHBondContact O-N 2.89Å; C309-L311 VanDerWaalsContact O-N 3.11Å; C309-V312 PolarHBondContact O-N 3.05Å; C309-S313 PolarHBondContact O-N 2.92Å; C309-V318 HydrophobicContact CB-CG2 3.86Å; C309-L341 VanDerWaalsContact SG-CD1 3.52Å; C309-F428 HydrophobicContact CB-CB 4.11Å; C309-F428 HydrophobicContact CB-CD2 4.27Å; C309-F428 HydrophobicContact CB-CG 4.1Å |
| 310 | C | 94 | Very high | 94 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -69.8 | -7.3 | -175.7 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | E307 Y308 V312 S313 | E307-C310 WeakPolarHBondContact O-CA 3.4Å; E307-C310 WeakPolarHBondContact O-CB 3.43Å; E307-C310 PolarHBondContact O-N 3Å; E307-C310 PolarHBondContact O-SG 2.93Å; E307-C310 VanDerWaalsContact O-SG 3.34Å; Y308-C310 PolarHBondContact O-N 3.37Å; C310-V312 PolarHBondContact O-N 3.32Å; C310-S313 WeakPolarHBondContact CA-O 2.95Å |
| 311 | L | 93.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -65.5 | -29.4 | 174.1 | -72.9 | 168.4 | 0 | 0 | 0 | 112.3 | M203 F206 D207 L211 Y308 C309 | M203-L311 HydrophobicContact CB-CD2 4.42Å; M203-L311 HydrophobicContact CE-CD1 4.18Å; M203-L311 HydrophobicContact CE-CD2 3.74Å; M203-L311 HydrophobicContact CE-CG 3.53Å; F206-L311 HydrophobicContact CD1-CD1 3.65Å; F206-L311 HydrophobicContact CE1-CD1 4.22Å; D207-L311 HydrophobicContact CB-CD1 3.86Å; D207-L311 HydrophobicContact CB-CD2 4.24Å; L211-L311 HydrophobicContact CD2-CB 3.65Å; L211-L311 HydrophobicContact CD2-CD1 3.67Å; L211-L311 HydrophobicContact CD2-CG 4.3Å; Y308-L311 PolarHBondContact O-N 3.11Å; C309-L311 PolarHBondContact O-N 2.89Å; C309-L311 VanDerWaalsContact O-N 3.11Å |
| 312 | V | 92.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -17.9 | -174.7 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | L211 C309 C310 F428 P430 S431 | L211-V312 HydrophobicContact CD2-CG1 3.95Å; C309-V312 PolarHBondContact O-N 3.05Å; C310-V312 PolarHBondContact O-N 3.32Å; V312-F428 HydrophobicContact CG2-CD2 3.57Å; V312-F428 HydrophobicContact CG2-CE2 3.92Å; V312-P430 HydrophobicContact CB-CG 4.42Å; V312-P430 VanDerWaalsContact O-CA 3.3Å; V312-P430 WeakPolarHBondContact O-CA 3.34Å; V312-S431 PolarHBondContact O-N 3.17Å; V312-S431 PolarHBondContact O-OG 3.27Å |
| 313 | S | 89.8 | Confident | 94.2 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -121.5 | 145.2 | -178.1 | -54 | 0 | 0 | 0 | 0 | 111.6 | C309 C310 F428 R429 | C309-S313 PolarHBondContact O-N 2.92Å; C310-S313 WeakPolarHBondContact CA-O 2.95Å; S313-F428 WeakPolarHBondContact OG-CB 3.46Å; S313-R429 PolarHBondContact OG-N 3.33Å; S313-R429 PolarHBondContact OG-O 3.07Å |
| 314 | D | 88.9 | Confident | 94.2 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | trans | -63.9 | 134.1 | 158.3 | -165.8 | -51.2 | 0 | 0 | 0 | 108.5 | D316 N317 | D314-D316 PolarHBondContact O-N 3.33Å; D314-D316 VanDerWaalsContact O-N 3.1Å; D314-D316 PolarHBondContact OD1-N 3.37Å; D314-N317 HydrophobicContact CB-CB 4.32Å; D314-N317 WeakPolarHBondContact O-CA 3.32Å; D314-N317 PolarHBondContact O-N 2.86Å | ||
| 315 | P | 87.3 | Confident | 94.2 | Very high | 53 Ų | 53 | 40 Ų | 40 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -47.8 | -34.4 | 174.3 | -29.7 | 34 | 0 | 0 | 0 | 114.7 | N317 V318 | P315-N317 PolarHBondContact O-N 3.37Å; P315-V318 PolarHBondContact O-N 3.38Å |
| 316 | D | 86.5 | Confident | 94 | Very high | 141 Ų | 141 | 39.3 Ų | 39.3 | 75% | 0.754 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -75 | -13.1 | -179.6 | -67.8 | -21 | 0 | 0 | 0 | 112.8 | D314 | D314-D316 PolarHBondContact O-N 3.33Å; D314-D316 VanDerWaalsContact O-N 3.1Å; D314-D316 PolarHBondContact OD1-N 3.37Å |
| 317 | N | 89.8 | Confident | 93.5 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -103.6 | 9.9 | 177.9 | -67.8 | -39.4 | 0 | 0 | 0 | 113.1 | D314 P315 | D314-N317 HydrophobicContact CB-CB 4.32Å; D314-N317 WeakPolarHBondContact O-CA 3.32Å; D314-N317 PolarHBondContact O-N 2.86Å; P315-N317 PolarHBondContact O-N 3.37Å |
| 318 | V | 95.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -88.1 | 122.2 | 175 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | V305 C309 P315 V320 F426 F428 | V305-V318 HydrophobicContact CG1-CB 4.25Å; V305-V318 HydrophobicContact CG1-CG1 4.21Å; V305-V318 HydrophobicContact CG1-CG2 3.99Å; C309-V318 HydrophobicContact CB-CG2 3.86Å; P315-V318 PolarHBondContact O-N 3.38Å; V318-V320 HydrophobicContact CG1-CG2 4.37Å; V318-V320 WeakPolarHBondContact O-CG2 3.28Å; V318-V320 PolarHBondContact O-N 2.86Å; V318-F426 HydrophobicContact CG1-CB 3.77Å; V318-F426 HydrophobicContact CG1-CD1 4.07Å; V318-F426 HydrophobicContact CG1-CG 4.43Å; V318-F428 HydrophobicContact CG1-CB 4.38Å; V318-F428 HydrophobicContact CG2-CB 4.07Å |
| 319 | D | 95.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 37.8 Ų | 37.8 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.1 | 177.7 | -51.8 | -54.7 | 0 | 0 | 0 | 109 | W427 | D319-W427 HydrophobicContact CB-CB 4.16Å; D319-W427 HydrophobicContact CB-CE3 4.2Å; D319-W427 PolarHBondContact N-O 3.27Å; D319-W427 PolarHBondContact O-N 3.39Å |
| 320 | V | 96.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.085 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.4 | -174.6 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | F293 I303 V305 V318 V424 S425 F426 | F293-V320 HydrophobicContact CD2-CB 4.3Å; F293-V320 HydrophobicContact CD2-CG1 3.55Å; F293-V320 HydrophobicContact CE2-CG1 3.79Å; F293-V320 HydrophobicContact CG-CG1 4.38Å; I303-V320 HydrophobicContact CD1-CG1 4.26Å; V305-V320 HydrophobicContact CG2-CG2 4.4Å; V318-V320 HydrophobicContact CG1-CG2 4.37Å; V318-V320 WeakPolarHBondContact O-CG2 3.28Å; V318-V320 PolarHBondContact O-N 2.86Å; V320-V424 HydrophobicContact CG1-CG1 3.5Å; V320-S425 WeakPolarHBondContact CA-O 3.38Å; V320-F426 HydrophobicContact CB-CD1 4.49Å; V320-F426 HydrophobicContact CG1-CD1 4.06Å; V320-F426 HydrophobicContact CG1-CE1 3.72Å; V320-F426 HydrophobicContact CG1-CZ 4.3Å; V320-F426 HydrophobicContact CG2-CD1 3.82Å; V320-F426 HydrophobicContact CG2-CE1 3.99Å |
| 321 | N | 97.8 | Very high | 93 | Very high | 18 Ų | 18 | 36 Ų | 36 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.2 | -173.6 | -72.9 | -83.7 | 0 | 0 | 0 | 112.3 | D291 V424 S425 W427 | D291-N321 PolarHBondContact N-OD1 2.85Å; N321-V424 CarbonylContact O-C 3.6Å; N321-V424 WeakPolarHBondContact O-CA 3.45Å; N321-S425 PolarHBondContact N-O 2.84Å; N321-S425 PolarHBondContact O-N 3.03Å; N321-W427 HydrophobicContact CB-CE3 4.36Å; N321-W427 HydrophobicContact CB-CH2 4Å; N321-W427 HydrophobicContact CB-CZ3 3.72Å; N321-W427 WeakPolarHBondContact ND2-CZ3 3.38Å |
| 322 | A | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 145.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L287 Q289 Y290 L292 F293 F422 | L287-A322 HydrophobicContact CD2-CB 4.16Å; Q289-A322 PolarHBondContact N-O 3.18Å; Y290-A322 PolarHBondContact O-N 3.42Å; L292-A322 HydrophobicContact CB-CB 3.74Å; L292-A322 HydrophobicContact CD2-CB 4.14Å; F293-A322 HydrophobicContact CE2-CB 3.91Å; F293-A322 HydrophobicContact CZ-CB 4.24Å; A322-F422 HydrophobicContact CB-CE1 4Å; A322-F422 HydrophobicContact CB-CZ 3.77Å |
| 323 | W | 98.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 104.4 | 173.1 | -58 | 88.5 | 0 | 0 | 0 | 109.1 | Y286 L287 A288 Q289 F422 S423 S425 W427 | Y286-W323 AromaticContact CE1-CE3 3.85Å; Y286-W323 HydrophobicContact CE1-CE3 3.85Å; Y286-W323 HydrophobicContact CE1-CZ3 4.24Å; Y286-W323 HydrophobicContact CE2-CB 4.19Å; Y286-W323 HydrophobicContact CE2-CE3 4.43Å; Y286-W323 AromaticContact CZ-CE3 3.62Å; Y286-W323 VanDerWaalsContact OH-CE3 3.31Å; L287-W323 CarbonylContact O-C 3.58Å; L287-W323 WeakPolarHBondContact O-CA 3.45Å; A288-W323 HydrophobicContact CB-CE3 3.55Å; A288-W323 HydrophobicContact CB-CZ3 3.49Å; A288-W323 VanDerWaalsContact CB-CZ3 3.49Å; Q289-W323 HydrophobicContact CB-CH2 3.85Å; Q289-W323 HydrophobicContact CB-CZ2 4.1Å; Q289-W323 HydrophobicContact CB-CZ3 4.36Å; W323-F422 CarbonylContact O-C 3.32Å; W323-F422 VanDerWaalsContact O-CA 3.31Å; W323-F422 WeakPolarHBondContact O-CA 3.38Å; W323-S423 PolarHBondContact N-O 3.19Å; W323-S423 PolarHBondContact O-N 3.04Å; W323-S425 PolarHBondContact NE1-OG 3.06Å; W323-W427 HydrophobicContact CZ2-CH2 4.12Å; W323-W427 HydrophobicContact CZ2-CZ2 4.1Å |
| 324 | F | 97.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.1 | -173.8 | 175.6 | -125.5 | 0 | 0 | 0 | 111.9 | L236 F239 L268 F271 V272 F276 Y286 L287 S421 F422 | L236-F324 HydrophobicContact CD2-CE2 3.85Å; L236-F324 HydrophobicContact CD2-CZ 3.57Å; F239-F324 HydrophobicContact CD2-CE2 4.1Å; F239-F324 HydrophobicContact CD2-CZ 4.05Å; F239-F324 HydrophobicContact CE2-CD2 4.46Å; F239-F324 HydrophobicContact CE2-CE2 4.06Å; F239-F324 HydrophobicContact CE2-CZ 4.47Å; L268-F324 HydrophobicContact CD1-CD1 4.31Å; L268-F324 HydrophobicContact CD1-CE1 3.9Å; F271-F324 HydrophobicContact CD1-CD1 4.31Å; F271-F324 HydrophobicContact CD1-CE1 4.19Å; F271-F324 AromaticContact CE1-CD1 3.73Å; F271-F324 HydrophobicContact CE1-CD1 3.73Å; F271-F324 AromaticContact CE1-CE1 3.88Å; F271-F324 HydrophobicContact CE1-CE1 3.88Å; V272-F324 HydrophobicContact CG2-CE1 4.4Å; V272-F324 HydrophobicContact CG2-CZ 4.44Å; F276-F324 HydrophobicContact CE1-CE1 4.4Å; F276-F324 AromaticContact CE1-CE2 3.83Å; F276-F324 HydrophobicContact CE1-CE2 3.83Å; F276-F324 AromaticContact CE1-CZ 3.63Å; F276-F324 HydrophobicContact CE1-CZ 3.63Å; F276-F324 HydrophobicContact CZ-CD1 4.45Å; F276-F324 AromaticContact CZ-CE1 3.78Å; F276-F324 HydrophobicContact CZ-CE1 3.78Å; F276-F324 AromaticContact CZ-CE2 3.91Å; F276-F324 HydrophobicContact CZ-CE2 3.91Å; F276-F324 AromaticContact CZ-CZ 3.47Å; F276-F324 HydrophobicContact CZ-CZ 3.47Å; F276-F324 VanDerWaalsContact CZ-CZ 3.47Å; Y286-F324 WeakPolarHBondContact CD2-O 3.09Å; L287-F324 HydrophobicContact CB-CB 4.27Å; L287-F324 WeakPolarHBondContact CB-O 3.35Å; L287-F324 PolarHBondContact N-O 2.89Å; L287-F324 PolarHBondContact O-N 3.34Å; F324-S421 WeakPolarHBondContact CA-O 3.49Å; F324-S421 WeakPolarHBondContact CD2-O 3.43Å; F324-F422 HydrophobicContact CB-CD2 3.62Å; F324-F422 HydrophobicContact CB-CE2 3.83Å; F324-F422 HydrophobicContact CB-CG 4.3Å; F324-F422 HydrophobicContact CD2-CB 4.13Å; F324-F422 AromaticContact CD2-CD2 3.52Å; F324-F422 HydrophobicContact CD2-CD2 3.52Å; F324-F422 HydrophobicContact CD2-CE2 4.37Å; F324-F422 HydrophobicContact CD2-CG 4.22Å; F324-F422 HydrophobicContact CE2-CD2 4.36Å; F324-F422 AromaticContact CG-CD2 3.66Å; F324-F422 HydrophobicContact CG-CD2 3.66Å; F324-F422 HydrophobicContact CG-CE2 4.07Å |
| 325 | G | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T420 S421 | G325-T420 WeakPolarHBondContact O-CA 3.28Å; G325-S421 PolarHBondContact N-O 3Å; G325-S421 VanDerWaalsContact N-O 3.12Å; G325-S421 PolarHBondContact O-N 2.83Å |
| 326 | P | 91.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | trans | -71 | 177.8 | 177.3 | 33.5 | -37.1 | 0 | 0 | 0 | 111.8 | Y275 F276 V284 G285 T329 | Y275-P326 WeakPolarHBondContact O-CB 3.42Å; Y275-P326 WeakPolarHBondContact O-CG 3.35Å; F276-P326 HydrophobicContact CD1-CB 4.25Å; F276-P326 HydrophobicContact CE1-CB 4.49Å; F276-P326 HydrophobicContact CG-CB 4.26Å; V284-P326 HydrophobicContact CG1-CG 4.35Å; G285-P326 WeakPolarHBondContact O-CD 3.39Å; P326-T329 HydrophobicContact CG-CG2 4.25Å | ||
| 327 | K | 88.3 | Confident | 94.8 | Very high | 115 Ų | 115 | 26.4 Ų | 26.4 | 50% | 0.5 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 141 | 166.8 | 174.2 | 176.5 | 179.3 | -170.7 | 0 | 109.7 | M418 | K327-M418 VanDerWaalsContact CD-O 3.25Å; K327-M418 WeakPolarHBondContact CD-O 3.31Å; K327-M418 WeakPolarHBondContact CE-O 3.42Å; K327-M418 VanDerWaalsContact CG-O 3.27Å; K327-M418 WeakPolarHBondContact CG-O 3.28Å |
| 328 | G | 88.3 | Confident | 95 | Very high | 20 Ų | 20 | 22.9 Ų | 22.9 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -6.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | V330 S417 | G328-V330 PolarHBondContact O-N 2.81Å; G328-S417 PolarHBondContact N-O 3.04Å |
| 329 | T | 93.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | trans | -60.1 | 137.8 | 172.3 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | V284 Y286 P326 K416 S417 | V284-T329 HydrophobicContact CG1-CG2 3.54Å; Y286-T329 HydrophobicContact CD1-CG2 4.28Å; Y286-T329 HydrophobicContact CD2-CG2 3.67Å; Y286-T329 HydrophobicContact CE2-CG2 4.26Å; Y286-T329 HydrophobicContact CG-CG2 3.68Å; P326-T329 HydrophobicContact CG-CG2 4.25Å; T329-K416 WeakPolarHBondContact O-CA 3.23Å; T329-S417 PolarHBondContact O-N 3.38Å; T329-S417 VanDerWaalsContact OG1-CB 3.26Å; T329-S417 WeakPolarHBondContact OG1-CB 3.46Å; T329-S417 PolarHBondContact OG1-OG 3.11Å | ||
| 330 | V | 93.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.6 | -175.7 | 169.4 | 0 | 0 | 0 | 0 | 109.5 | R255 G328 Y414 L415 K416 | R255-V330 HydrophobicContact CG-CG1 4.28Å; G328-V330 PolarHBondContact O-N 2.81Å; V330-Y414 HydrophobicContact CG1-CD2 4.26Å; V330-Y414 HydrophobicContact CG1-CE2 3.45Å; V330-Y414 VanDerWaalsContact CG1-CE2 3.45Å; V330-L415 WeakPolarHBondContact CA-O 3.31Å; V330-K416 HydrophobicContact CG2-CB 4.19Å; V330-K416 HydrophobicContact CG2-CD 3.94Å; V330-K416 HydrophobicContact CG2-CG 3.83Å |
| 331 | S | 95.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 109.5 | 158.2 | -59.2 | 0 | 0 | 0 | 0 | 106.5 | Y414 L415 | S331-Y414 WeakPolarHBondContact O-CD2 2.85Å; S331-L415 PolarHBondContact N-O 3.42Å; S331-L415 PolarHBondContact O-N 2.93Å |
| 332 | P | 95.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 18 Ų | 18 | 5% | 0.045 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.8 | 162.7 | 175.5 | -29.6 | 34.9 | 0 | 0 | 0 | 113.2 | R255 Y256 H334 T373 | R255-P332 HydrophobicContact CB-CG 3.83Å; R255-P332 HydrophobicContact CG-CG 3.98Å; Y256-P332 HydrophobicContact CD1-CG 4.16Å; Y256-P332 HydrophobicContact CE1-CB 4.36Å; Y256-P332 VanDerWaalsContact CE1-CD 3.46Å; Y256-P332 HydrophobicContact CE1-CG 3.78Å; P332-H334 PolarHBondContact O-N 2.81Å; P332-H334 VanDerWaalsContact O-N 3.11Å; P332-H334 PolarHBondContact O-ND1 2.75Å; P332-T373 HydrophobicContact CB-CG2 4.18Å |
| 333 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 113.3 | -179.3 | -177.6 | 69.5 | 0 | 0 | 0 | 109.9 | V362 S374 M378 W412 H413 | L333-V362 HydrophobicContact CD2-CB 3.92Å; L333-V362 HydrophobicContact CD2-CG1 4.11Å; L333-S374 VanDerWaalsContact O-CB 3.31Å; L333-S374 WeakPolarHBondContact O-CB 3.14Å; L333-S374 PolarHBondContact O-N 2.81Å; L333-M378 HydrophobicContact CB-CG 4.14Å; L333-M378 HydrophobicContact CD1-CG 4.35Å; L333-M378 HydrophobicContact CD2-CG 4.03Å; L333-M378 HydrophobicContact CD2-SD 4.02Å; L333-M378 HydrophobicContact CG-CG 4.41Å; L333-W412 HydrophobicContact CD1-CB 3.83Å; L333-W412 HydrophobicContact CG-CB 4.18Å; L333-W412 HydrophobicContact CG-CE3 4.18Å; L333-H413 WeakPolarHBondContact CA-O 3.39Å |
| 334 | H | 97.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 7% | 0.065 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 170 | -176.2 | 67.2 | -70.6 | 0 | 0 | 0 | 112.5 | P332 D336 N372 W412 H413 | P332-H334 PolarHBondContact O-N 2.81Å; P332-H334 VanDerWaalsContact O-N 3.11Å; P332-H334 PolarHBondContact O-ND1 2.75Å; H334-D336 IonicContact CD2-OD1 2.88Å; H334-D336 IonicContact NE2-OD1 3.9Å; H334-N372 CarbonylContact C-O 3.44Å; H334-N372 WeakPolarHBondContact CA-O 3.3Å; H334-N372 VanDerWaalsContact CB-O 3.23Å; H334-N372 WeakPolarHBondContact CB-O 3.38Å; H334-W412 CarbonylContact O-C 3.56Å; H334-W412 VanDerWaalsContact O-CA 3.26Å; H334-W412 WeakPolarHBondContact O-CA 3.42Å; H334-H413 AromaticContact CD2-NE2 3.77Å; H334-H413 AromaticContact CE1-CD2 3.57Å; H334-H413 AromaticContact CE1-NE2 3.36Å; H334-H413 PolarHBondContact CE1-NE2 3.45Å; H334-H413 PolarHBondContact N-O 2.87Å; H334-H413 PolarHBondContact ND1-O 2.87Å; H334-H413 AromaticContact NE2-CD2 3.9Å; H334-H413 AromaticContact NE2-CE1 3.98Å; H334-H413 AromaticContact NE2-NE2 3.19Å; H334-H413 PolarHBondContact NE2-NE2 2.89Å; H334-H413 VanDerWaalsContact NE2-NE2 3.19Å; H334-H413 PolarHBondContact O-N 3.19Å; H334-H413 PolarHBondContact O-ND1 2.94Å |
| 335 | T | 97.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 17.1 Ų | 17.1 | 15% | 0.147 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.3 | 173.4 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | N372 G410 W412 | T335-N372 PolarHBondContact N-O 2.77Å; T335-N372 PolarHBondContact O-ND2 2.81Å; T335-N372 VanDerWaalsContact O-ND2 3.11Å; T335-G410 VanDerWaalsContact CG2-O 3.29Å; T335-G410 WeakPolarHBondContact CG2-O 3.47Å; T335-W412 HydrophobicContact CG2-CB 4.37Å; T335-W412 HydrophobicContact CG2-CD2 3.39Å; T335-W412 VanDerWaalsContact CG2-CE2 3.48Å; T335-W412 HydrophobicContact CG2-CE3 3.75Å; T335-W412 HydrophobicContact CG2-CG 3.7Å; T335-W412 HydrophobicContact CG2-CH2 4.21Å; T335-W412 HydrophobicContact CG2-CZ2 3.91Å; T335-W412 HydrophobicContact CG2-CZ3 4.15Å |
| 336 | D | 95.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | trans | -94.8 | 147.6 | 170.5 | -72.2 | -24.6 | 0 | 0 | 0 | 111.3 | H334 T338 N340 G410 H413 W427 | H334-D336 IonicContact CD2-OD1 2.88Å; H334-D336 IonicContact NE2-OD1 3.9Å; D336-T338 PolarHBondContact O-N 2.98Å; D336-N340 PolarHBondContact OD2-ND2 2.91Å; D336-G410 PolarHBondContact O-N 3.29Å; D336-H413 IonicContact OD1-CE1 2.62Å; D336-H413 IonicContact OD2-CE1 3.61Å; D336-H413 IonicContact OD2-NE2 2.73Å; D336-W427 PolarHBondContact OD2-NE1 3.1Å | ||
| 337 | P | 91.9 | Very high | 95 | Very high | 104 Ų | 104 | 18.8 Ų | 18.8 | 68% | 0.675 | 11% | 0.111 | S | C | * | . | S | Bend | trans | -75.8 | -8.6 | 177.9 | 32.1 | -35.6 | 0 | 0 | 0 | 113.4 | R409 | P337-R409 WeakPolarHBondContact O-CD 3.29Å; P337-R409 WeakPolarHBondContact O-CG 3.05Å |
| 338 | T | 94.5 | Very high | 95.1 | Very high | 15 Ų | 15 | 13.5 Ų | 13.5 | 9% | 0.092 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -131.5 | 169.1 | -175.5 | 55 | 0 | 0 | 0 | 0 | 110.7 | D336 R409 W427 R429 | D336-T338 PolarHBondContact O-N 2.98Å; T338-R409 WeakPolarHBondContact O-CA 3.26Å; T338-W427 WeakPolarHBondContact OG1-CB 3.35Å; T338-R429 HydrophobicContact CG2-CB 3.99Å; T338-R429 HydrophobicContact CG2-CG 4.21Å |
| 339 | D | 96.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 12.6 Ų | 12.6 | 4% | 0.043 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 144.4 | 167.6 | -68.9 | -56.9 | 0 | 0 | 0 | 109.5 | F406 P408 R409 W427 F428 | D339-F406 HydrophobicContact CB-CE2 4.04Å; D339-P408 WeakPolarHBondContact OD1-CA 3.45Å; D339-R409 PolarHBondContact OD1-N 3.3Å; D339-W427 WeakPolarHBondContact O-CA 3.3Å; D339-F428 HydrophobicContact CB-CD1 4.08Å; D339-F428 HydrophobicContact CB-CD2 4.42Å; D339-F428 HydrophobicContact CB-CE1 3.6Å; D339-F428 HydrophobicContact CB-CE2 4.01Å; D339-F428 HydrophobicContact CB-CG 4.46Å; D339-F428 HydrophobicContact CB-CZ 3.58Å; D339-F428 PolarHBondContact N-O 2.59Å; D339-F428 VanDerWaalsContact O-CD1 3.24Å; D339-F428 WeakPolarHBondContact O-CD1 3.26Å; D339-F428 PolarHBondContact O-N 3.42Å |
| 340 | N | 98.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.011 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.4 | -178 | -173.4 | 0.7 | 0 | 0 | 0 | 110.6 | D336 I407 S425 F426 W427 | D336-N340 PolarHBondContact OD2-ND2 2.91Å; N340-I407 HydrophobicContact CB-CB 4.24Å; N340-I407 PolarHBondContact N-O 3.22Å; N340-I407 PolarHBondContact O-N 2.9Å; N340-S425 PolarHBondContact ND2-OG 2.76Å; N340-S425 WeakPolarHBondContact OD1-CB 3.23Å; N340-F426 WeakPolarHBondContact CA-O 3.46Å; N340-F426 PolarHBondContact OD1-N 2.99Å; N340-F426 PolarHBondContact OD1-O 2.86Å; N340-W427 PolarHBondContact ND2-NE1 2.68Å |
| 341 | L | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.7 | 160.3 | -70.4 | 171 | 0 | 0 | 0 | 108 | F206 P306 Y308 C309 L404 F406 F426 F428 | F206-L341 HydrophobicContact CZ-CD2 4.29Å; P306-L341 HydrophobicContact CB-CD1 3.88Å; P306-L341 HydrophobicContact CG-CD1 4.28Å; Y308-L341 HydrophobicContact CD2-CD1 4.38Å; C309-L341 VanDerWaalsContact SG-CD1 3.52Å; L341-L404 HydrophobicContact CB-CD1 3.81Å; L341-L404 HydrophobicContact CB-CG 4.25Å; L341-L404 HydrophobicContact CD1-CD2 4.31Å; L341-L404 HydrophobicContact CD2-CD2 4.16Å; L341-L404 HydrophobicContact CD2-CG 4.13Å; L341-F406 HydrophobicContact CD2-CB 3.78Å; L341-F406 HydrophobicContact CD2-CD2 3.88Å; L341-F406 HydrophobicContact CD2-CG 4.27Å; L341-F426 HydrophobicContact CB-CB 4.27Å; L341-F426 PolarHBondContact N-O 3.19Å; L341-F426 VanDerWaalsContact O-CD2 3.31Å; L341-F426 WeakPolarHBondContact O-CD2 3.36Å; L341-F426 PolarHBondContact O-N 2.86Å; L341-F428 HydrophobicContact CB-CE1 4.46Å; L341-F428 HydrophobicContact CD1-CE1 4.2Å; L341-F428 HydrophobicContact CD1-CZ 4.47Å; L341-F428 HydrophobicContact CG-CD1 4.49Å; L341-F428 HydrophobicContact CG-CE1 3.73Å; L341-F428 HydrophobicContact CG-CZ 4.23Å |
| 342 | F | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 107.4 | -179.9 | -177.6 | -86.2 | 0 | 0 | 0 | 110.2 | K349 I351 V399 L404 L405 I407 L415 S423 | F342-K349 HydrophobicContact CE1-CD 4.26Å; F342-K349 HydrophobicContact CZ-CD 3.78Å; F342-I351 HydrophobicContact CD1-CD1 4.15Å; F342-I351 HydrophobicContact CE1-CD1 4.05Å; F342-V399 HydrophobicContact CE1-CG2 4.12Å; F342-L404 CarbonylContact O-C 3.44Å; F342-L404 WeakPolarHBondContact O-CA 3.48Å; F342-L405 HydrophobicContact CB-CB 4.29Å; F342-L405 PolarHBondContact N-O 3.4Å; F342-L405 PolarHBondContact O-N 3.11Å; F342-I407 HydrophobicContact CB-CD1 4.29Å; F342-L415 HydrophobicContact CD2-CD2 4.23Å; F342-L415 HydrophobicContact CE1-CD2 4.08Å; F342-L415 HydrophobicContact CE2-CD2 3.57Å; F342-L415 HydrophobicContact CZ-CD2 3.47Å; F342-L415 VanDerWaalsContact CZ-CD2 3.47Å; F342-S423 VanDerWaalsContact CZ-OG 3.27Å; F342-S423 WeakPolarHBondContact CZ-OG 3.13Å |
| 343 | A | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L225 W228 L404 S423 V424 F426 | L225-A343 HydrophobicContact CD1-CB 3.59Å; W228-A343 HydrophobicContact CH2-CB 3.81Å; W228-A343 HydrophobicContact CZ3-CB 4.08Å; A343-L404 HydrophobicContact CB-CD1 3.85Å; A343-S423 CarbonylContact O-C 3.47Å; A343-S423 VanDerWaalsContact O-CA 3.23Å; A343-S423 WeakPolarHBondContact O-CA 3.46Å; A343-S423 WeakPolarHBondContact O-CB 3.5Å; A343-V424 HydrophobicContact CB-CB 4.33Å; A343-V424 PolarHBondContact N-O 3.13Å; A343-V424 PolarHBondContact O-N 2.68Å; A343-F426 HydrophobicContact CB-CE2 3.95Å |
| 344 | Q | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.9 | 171.8 | -175.6 | 67.4 | 12.4 | 0 | 0 | 109.6 | M346 G347 V399 H400 P401 G402 D403 S423 | Q344-M346 PolarHBondContact NE2-O 3.12Å; Q344-G347 PolarHBondContact NE2-O 2.95Å; Q344-V399 HydrophobicContact CB-CB 3.99Å; Q344-V399 HydrophobicContact CB-CG2 3.89Å; Q344-V399 HydrophobicContact CG-CB 4.32Å; Q344-V399 HydrophobicContact CG-CG2 3.97Å; Q344-H400 WeakPolarHBondContact CB-O 3.38Å; Q344-P401 WeakPolarHBondContact O-CA 3.37Å; Q344-G402 PolarHBondContact O-N 2.77Å; Q344-D403 PolarHBondContact N-O 2.82Å; Q344-S423 PolarHBondContact OE1-OG 3.36Å |
| 345 | V | 95.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.024 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -45.4 | -173 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | W228 A230 F231 W234 P401 F422 V424 | W228-V345 HydrophobicContact CE3-CG2 4.36Å; W228-V345 HydrophobicContact CZ3-CG2 3.83Å; A230-V345 HydrophobicContact CB-CG1 3.67Å; F231-V345 HydrophobicContact CD1-CG1 4.31Å; F231-V345 HydrophobicContact CE1-CB 4.47Å; F231-V345 HydrophobicContact CE1-CG1 4.12Å; W234-V345 HydrophobicContact CD2-CG1 4.19Å; W234-V345 HydrophobicContact CE3-CB 4.04Å; W234-V345 HydrophobicContact CE3-CG1 3.4Å; W234-V345 VanDerWaalsContact CE3-CG1 3.4Å; W234-V345 HydrophobicContact CZ3-CB 4Å; W234-V345 HydrophobicContact CZ3-CG1 3.68Å; W234-V345 HydrophobicContact CZ3-CG2 4.09Å; V345-P401 WeakPolarHBondContact O-CB 3.47Å; V345-F422 WeakPolarHBondContact CA-O 3.47Å; V345-F422 PolarHBondContact N-O 3.19Å; V345-V424 HydrophobicContact CG2-CG2 3.96Å |
| 346 | M | 93.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 12 Ų | 12 | 15% | 0.148 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146 | 173.8 | -74.2 | -177.9 | 57.4 | 0 | 0 | 110.7 | W234 N235 F239 Q344 S421 F422 | W234-M346 HydrophobicContact CB-CG 4.12Å; W234-M346 HydrophobicContact CB-SD 3.78Å; N235-M346 HydrophobicContact CB-CE 4.45Å; F239-M346 HydrophobicContact CE2-CE 4.45Å; F239-M346 HydrophobicContact CE2-SD 3.45Å; F239-M346 WeakPolarHBondContact CE2-SD 3.39Å; F239-M346 HydrophobicContact CZ-SD 3.81Å; Q344-M346 PolarHBondContact NE2-O 3.12Å; M346-S421 CarbonylContact O-C 3.59Å; M346-S421 WeakPolarHBondContact O-CA 3.19Å; M346-S421 WeakPolarHBondContact O-CB 3.46Å; M346-F422 HydrophobicContact CB-CB 3.9Å; M346-F422 HydrophobicContact CG-CB 4.34Å; M346-F422 PolarHBondContact N-O 2.91Å; M346-F422 PolarHBondContact O-N 3.47Å; M346-F422 HydrophobicContact SD-CB 4.4Å |
| 347 | G | 89.7 | Confident | 95.3 | Very high | 15 Ų | 15 | 18.1 Ų | 18.1 | 16% | 0.155 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 74.8 | -172.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q344 P401 T419 T420 | Q344-G347 PolarHBondContact NE2-O 2.95Å; G347-P401 VanDerWaalsContact O-CD 3.29Å; G347-P401 WeakPolarHBondContact O-CD 3.4Å; G347-T419 WeakPolarHBondContact CA-OG1 3.43Å; G347-T420 VanDerWaalsContact CA-O 3.3Å; G347-T420 WeakPolarHBondContact CA-O 3.24Å |
| 348 | V | 89.8 | Confident | 95.6 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | trans | -127.4 | 132.4 | -175.4 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | I163 I165 V398 V399 M418 T419 S421 | I163-V348 HydrophobicContact CD1-CG1 4.47Å; I165-V348 HydrophobicContact CD1-CG2 4.34Å; I165-V348 HydrophobicContact CG1-CG2 3.92Å; V348-V398 HydrophobicContact CG1-CG1 3.2Å; V348-V399 WeakPolarHBondContact CA-O 3.45Å; V348-M418 HydrophobicContact CG1-CB 4.47Å; V348-M418 WeakPolarHBondContact O-CB 3.27Å; V348-M418 PolarHBondContact O-N 3.48Å; V348-T419 PolarHBondContact N-OG1 3.46Å; V348-T419 PolarHBondContact O-N 2.85Å; V348-S421 PolarHBondContact N-OG 2.86Å | ||
| 349 | K | 92 | Very high | 95.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.3 | 175.7 | -76.2 | 178.9 | 173.5 | 177.8 | 0 | 111 | Y286 F342 I351 V398 V399 L415 K416 S417 S423 | Y286-K349 PolarHBondContact OH-NZ 2.85Å; F342-K349 HydrophobicContact CE1-CD 4.26Å; F342-K349 HydrophobicContact CZ-CD 3.78Å; K349-I351 HydrophobicContact CB-CG1 4.42Å; K349-V398 WeakPolarHBondContact O-CA 3.17Å; K349-V399 HydrophobicContact CB-CG2 3.78Å; K349-V399 PolarHBondContact N-O 3.38Å; K349-V399 PolarHBondContact O-N 3.17Å; K349-L415 HydrophobicContact CD-CD2 4.37Å; K349-K416 CarbonylContact C-O 3.6Å; K349-K416 WeakPolarHBondContact CA-O 3.46Å; K349-S417 WeakPolarHBondContact CE-OG 3.2Å; K349-S423 WeakPolarHBondContact CD-OG 3.44Å; K349-S423 VanDerWaalsContact CE-OG 3.27Å; K349-S423 WeakPolarHBondContact CE-OG 3.41Å; K349-S423 PolarHBondContact NZ-OG 2.96Å |
| 350 | Y | 92.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.9 | 162.7 | 168.7 | -96.7 | 0 | 0 | 0 | 108.6 | I154 L156 F185 C186 C352 E396 V398 Y414 L415 K416 | I154-Y350 HydrophobicContact CG2-CD2 4.06Å; L156-Y350 HydrophobicContact CD2-CD2 3.8Å; L156-Y350 HydrophobicContact CD2-CE2 3.52Å; F185-Y350 HydrophobicContact CB-CD1 4.3Å; F185-Y350 HydrophobicContact CB-CE1 3.54Å; F185-Y350 HydrophobicContact CB-CE2 4.1Å; F185-Y350 VanDerWaalsContact CB-CZ 3.4Å; F185-Y350 WeakPolarHBondContact CB-OH 3.4Å; F185-Y350 AromaticContact CD1-CD1 3.73Å; F185-Y350 HydrophobicContact CD1-CD1 3.73Å; F185-Y350 AromaticContact CD1-CE1 3.62Å; F185-Y350 HydrophobicContact CD1-CE1 3.62Å; F185-Y350 AromaticContact CD2-CD1 3.85Å; F185-Y350 HydrophobicContact CD2-CD1 3.85Å; F185-Y350 HydrophobicContact CD2-CD2 4.05Å; F185-Y350 AromaticContact CD2-CE1 3.95Å; F185-Y350 HydrophobicContact CD2-CE1 3.95Å; F185-Y350 HydrophobicContact CD2-CE2 4.12Å; F185-Y350 AromaticContact CD2-CG 3.89Å; F185-Y350 HydrophobicContact CD2-CG 3.89Å; F185-Y350 AromaticContact CE1-CD1 3.89Å; F185-Y350 HydrophobicContact CE1-CD1 3.89Å; F185-Y350 HydrophobicContact CE1-CE1 4.24Å; F185-Y350 AromaticContact CE2-CD1 3.97Å; F185-Y350 HydrophobicContact CE2-CD1 3.97Å; F185-Y350 HydrophobicContact CE2-CD2 4.36Å; F185-Y350 AromaticContact CE2-CG 3.87Å; F185-Y350 HydrophobicContact CE2-CG 3.87Å; F185-Y350 AromaticContact CG-CD1 3.72Å; F185-Y350 HydrophobicContact CG-CD1 3.72Å; F185-Y350 HydrophobicContact CG-CD2 4.5Å; F185-Y350 AromaticContact CG-CE1 3.45Å; F185-Y350 HydrophobicContact CG-CE1 3.45Å; F185-Y350 VanDerWaalsContact CG-CE1 3.45Å; F185-Y350 HydrophobicContact CG-CE2 4.25Å; F185-Y350 HydrophobicContact CG-CG 4.24Å; F185-Y350 AromaticContact CG-CZ 3.73Å; F185-Y350 AromaticContact CZ-CD1 3.99Å; F185-Y350 HydrophobicContact CZ-CD1 3.99Å; F185-Y350 HydrophobicContact CZ-CG 4.23Å; C186-Y350 PolarHBondContact SG-OH 3.21Å; Y350-C352 HydrophobicContact CE1-CB 4.07Å; Y350-C352 WeakPolarHBondContact OH-CB 3.37Å; Y350-E396 HydrophobicContact CE2-CB 3.97Å; Y350-E396 HydrophobicContact CE2-CG 4.41Å; Y350-E396 WeakPolarHBondContact OH-CG 3.48Å; Y350-E396 PolarHBondContact OH-OE1 2.71Å; Y350-V398 HydrophobicContact CD2-CG2 4.32Å; Y350-Y414 HydrophobicContact CD1-CD1 4.32Å; Y350-Y414 HydrophobicContact CD1-CE1 4.15Å; Y350-Y414 HydrophobicContact CE1-CD1 4.16Å; Y350-Y414 HydrophobicContact CE1-CE1 4.23Å; Y350-L415 WeakPolarHBondContact O-CA 3.39Å; Y350-K416 PolarHBondContact N-O 2.64Å; Y350-K416 PolarHBondContact O-N 3.18Å |
| 351 | I | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.4 | 178.6 | -52.2 | -174.9 | 0 | 0 | 0 | 108.7 | F342 K349 L353 E396 T397 V399 L405 Y414 L415 | F342-I351 HydrophobicContact CD1-CD1 4.15Å; F342-I351 HydrophobicContact CE1-CD1 4.05Å; K349-I351 HydrophobicContact CB-CG1 4.42Å; I351-L353 HydrophobicContact CG2-CD1 3.88Å; I351-L353 HydrophobicContact CG2-CG 4.17Å; I351-E396 CarbonylContact O-C 3.39Å; I351-E396 VanDerWaalsContact O-CA 3.29Å; I351-E396 WeakPolarHBondContact O-CA 3.11Å; I351-T397 HydrophobicContact CB-CG2 4.02Å; I351-T397 PolarHBondContact N-O 3.44Å; I351-T397 PolarHBondContact O-N 2.71Å; I351-T397 VanDerWaalsContact O-O 3.13Å; I351-V399 HydrophobicContact CD1-CG1 4Å; I351-V399 HydrophobicContact CD1-CG2 3.7Å; I351-V399 HydrophobicContact CG1-CG2 4.28Å; I351-L405 HydrophobicContact CB-CD2 4.46Å; I351-L405 HydrophobicContact CD1-CD2 3.6Å; I351-L405 HydrophobicContact CG2-CD2 4Å; I351-Y414 VanDerWaalsContact CA-O 3.28Å; I351-Y414 WeakPolarHBondContact CA-O 3.42Å; I351-L415 HydrophobicContact CB-CG 4.45Å; I351-L415 HydrophobicContact CD1-CD2 3.6Å; I351-L415 HydrophobicContact CD1-CG 4Å; I351-L415 HydrophobicContact CG1-CB 4.44Å; I351-L415 HydrophobicContact CG1-CD2 3.93Å; I351-L415 HydrophobicContact CG1-CG 3.82Å; I351-L415 HydrophobicContact CG2-CG 4.13Å |
| 352 | C | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.6 | 165.3 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | C186 Y350 V394 Y395 E396 H413 Y414 | C186-C352 VanDerWaalsContact SG-SG 3.68Å; Y350-C352 HydrophobicContact CE1-CB 4.07Å; Y350-C352 WeakPolarHBondContact OH-CB 3.37Å; C352-V394 HydrophobicContact CB-CG1 3.83Å; C352-Y395 CarbonylContact C-O 3.59Å; C352-Y395 VanDerWaalsContact CA-O 3.26Å; C352-Y395 WeakPolarHBondContact CA-O 3.14Å; C352-E396 HydrophobicContact CB-CB 4.38Å; C352-E396 HydrophobicContact CB-CG 4.01Å; C352-H413 CarbonylContact O-C 3.56Å; C352-H413 VanDerWaalsContact O-CA 3.29Å; C352-H413 WeakPolarHBondContact O-CA 3.29Å; C352-Y414 PolarHBondContact N-O 3.44Å; C352-Y414 PolarHBondContact O-N 3.36Å |
| 353 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.7 | -174.3 | -51.4 | 98.8 | 0 | 0 | 0 | 111.7 | V195 P218 I351 V394 Y395 I407 W411 W412 H413 | V195-L353 HydrophobicContact CG2-CD1 3.81Å; P218-L353 HydrophobicContact CB-CD2 4.01Å; P218-L353 HydrophobicContact CG-CD2 4.34Å; I351-L353 HydrophobicContact CG2-CD1 3.88Å; I351-L353 HydrophobicContact CG2-CG 4.17Å; L353-V394 CarbonylContact O-C 3.58Å; L353-V394 WeakPolarHBondContact O-CA 3.34Å; L353-Y395 WeakPolarHBondContact CD1-O 3.43Å; L353-Y395 PolarHBondContact N-O 2.83Å; L353-Y395 PolarHBondContact O-N 3.31Å; L353-I407 HydrophobicContact CD2-CB 4.4Å; L353-I407 HydrophobicContact CD2-CD1 4.4Å; L353-I407 HydrophobicContact CD2-CG1 4.04Å; L353-I407 HydrophobicContact CD2-CG2 3.84Å; L353-W411 HydrophobicContact CB-CE3 3.91Å; L353-W411 HydrophobicContact CB-CZ3 4.36Å; L353-W412 CarbonylContact C-O 3.4Å; L353-W412 WeakPolarHBondContact CA-O 3.01Å; L353-W412 WeakPolarHBondContact CB-O 3.47Å; L353-H413 HydrophobicContact CD2-CB 3.94Å; L353-H413 HydrophobicContact CG-CB 3.99Å |
| 354 | C | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.2 | 172 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | V362 R393 W412 | C354-V362 HydrophobicContact CB-CG1 3.99Å; C354-R393 WeakPolarHBondContact CA-O 3.25Å; C354-W412 HydrophobicContact CB-CB 3.99Å; C354-W412 PolarHBondContact N-O 2.9Å; C354-W412 PolarHBondContact O-N 3.2Å |
| 355 | P | 97 | Very high | 95.1 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | trans | -67.7 | 152.7 | -179.8 | 28.5 | -32.8 | 0 | 0 | 0 | 111.4 | D357 D358 R393 W411 | P355-D357 PolarHBondContact O-N 3.04Å; P355-D358 HydrophobicContact CG-CB 4.2Å; P355-D358 WeakPolarHBondContact CG-OD2 3.01Å; P355-D358 PolarHBondContact O-N 2.66Å; P355-R393 VanDerWaalsContact CD-O 3.26Å; P355-R393 WeakPolarHBondContact CD-O 3.3Å; P355-R393 HydrophobicContact CG-CB 4.19Å; P355-W411 HydrophobicContact CB-CE3 4.39Å; P355-W411 HydrophobicContact CB-CH2 3.82Å; P355-W411 HydrophobicContact CB-CZ2 3.98Å; P355-W411 HydrophobicContact CB-CZ3 4.04Å | ||
| 356 | P | 96.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -56 | -34.4 | 178.3 | -20.7 | 27.1 | 0 | 0 | 0 | 113.5 | D358 S359 G410 | P356-D358 PolarHBondContact O-N 3.48Å; P356-D358 VanDerWaalsContact O-N 3.1Å; P356-S359 VanDerWaalsContact O-CB 3.26Å; P356-S359 WeakPolarHBondContact O-CB 3.4Å; P356-S359 PolarHBondContact O-N 2.91Å; P356-S359 PolarHBondContact O-OG 2.7Å; P356-G410 WeakPolarHBondContact CG-O 3.3Å |
| 357 | D | 95.7 | Very high | 94.2 | Very high | 137 Ų | 137 | 41.4 Ų | 41.4 | 73% | 0.733 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -57.7 | -22.1 | 175.8 | -70 | -8.4 | 0 | 0 | 0 | 113.7 | P355 R393 | P355-D357 PolarHBondContact O-N 3.04Å; D357-R393 IonicContact OD2-NH2 3.69Å |
| 358 | D | 96.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -97.9 | 13.5 | 179.5 | -64.4 | -2.4 | 0 | 0 | 0 | 112 | P355 P356 E360 M361 V362 R393 | P355-D358 HydrophobicContact CG-CB 4.2Å; P355-D358 WeakPolarHBondContact CG-OD2 3.01Å; P355-D358 PolarHBondContact O-N 2.66Å; P356-D358 PolarHBondContact O-N 3.48Å; P356-D358 VanDerWaalsContact O-N 3.1Å; D358-E360 VanDerWaalsContact C-N 3.28Å; D358-E360 PolarHBondContact O-N 3.15Å; D358-M361 WeakPolarHBondContact O-CA 3.49Å; D358-M361 WeakPolarHBondContact O-CB 3.42Å; D358-M361 PolarHBondContact O-N 2.86Å; D358-V362 PolarHBondContact O-N 3.22Å; D358-R393 IonicContact OD1-CZ 2.83Å; D358-R393 IonicContact OD1-NE 2.78Å; D358-R393 PolarHBondContact OD1-NE 3.19Å; D358-R393 IonicContact OD1-NH2 3.9Å; D358-R393 PolarHBondContact OD1-NH2 2.91Å; D358-R393 VanDerWaalsContact OD2-CB 3.23Å; D358-R393 WeakPolarHBondContact OD2-CB 3.34Å; D358-R393 WeakPolarHBondContact OD2-CG 3.44Å; D358-R393 IonicContact OD2-CZ 3.04Å; D358-R393 PolarHBondContact OD2-N 3.39Å; D358-R393 IonicContact OD2-NE 3.98Å; D358-R393 PolarHBondContact OD2-NE 2.89Å; D358-R393 IonicContact OD2-NH2 3.18Å |
| 359 | S | 96.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -52.6 | -41.2 | -176 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | P356 M361 V362 P364 W412 | P356-S359 VanDerWaalsContact O-CB 3.26Å; P356-S359 WeakPolarHBondContact O-CB 3.4Å; P356-S359 PolarHBondContact O-N 2.91Å; P356-S359 PolarHBondContact O-OG 2.7Å; S359-M361 PolarHBondContact O-N 3Å; S359-V362 VanDerWaalsContact O-CG2 3.23Å; S359-V362 WeakPolarHBondContact O-CG2 3.23Å; S359-V362 PolarHBondContact O-N 2.79Å; S359-P364 VanDerWaalsContact O-CD 3.23Å; S359-P364 WeakPolarHBondContact O-CD 3.29Å; S359-P364 WeakPolarHBondContact O-CG 3.35Å; S359-W412 PolarHBondContact OG-NE1 3.24Å |
| 360 | E | 95.4 | Very high | 93.1 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 76% | 0.757 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -65.4 | -26.2 | 177.9 | -63.7 | -176.3 | 173.9 | 0 | 0 | 113 | D358 | D358-E360 VanDerWaalsContact C-N 3.28Å; D358-E360 PolarHBondContact O-N 3.15Å |
| 361 | M | 97 | Very high | 93 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -83.4 | -16.6 | -177.2 | -52.3 | -60.3 | 168.8 | 0 | 0 | 112.5 | D358 S359 Y363 N388 L389 K391 A392 | D358-M361 WeakPolarHBondContact O-CA 3.49Å; D358-M361 WeakPolarHBondContact O-CB 3.42Å; D358-M361 PolarHBondContact O-N 2.86Å; S359-M361 PolarHBondContact O-N 3Å; M361-Y363 VanDerWaalsContact O-CD2 3.31Å; M361-Y363 WeakPolarHBondContact O-CD2 3.36Å; M361-Y363 WeakPolarHBondContact O-CE2 3.26Å; M361-N388 HydrophobicContact SD-CB 3.71Å; M361-L389 VanDerWaalsContact O-CA 3.3Å; M361-L389 WeakPolarHBondContact O-CA 3.36Å; M361-L389 PolarHBondContact O-N 3.29Å; M361-K391 HydrophobicContact SD-CB 4.37Å; M361-K391 HydrophobicContact SD-CD 4.36Å; M361-A392 HydrophobicContact CB-CB 3.93Å |
| 362 | V | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -102.6 | 12.2 | 179 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | L333 C354 D358 S359 S374 L389 A392 W412 | L333-V362 HydrophobicContact CD2-CB 3.92Å; L333-V362 HydrophobicContact CD2-CG1 4.11Å; C354-V362 HydrophobicContact CB-CG1 3.99Å; D358-V362 PolarHBondContact O-N 3.22Å; S359-V362 VanDerWaalsContact O-CG2 3.23Å; S359-V362 WeakPolarHBondContact O-CG2 3.23Å; S359-V362 PolarHBondContact O-N 2.79Å; V362-S374 VanDerWaalsContact O-CB 3.29Å; V362-S374 WeakPolarHBondContact O-CB 3.49Å; V362-S374 PolarHBondContact O-OG 2.95Å; V362-L389 HydrophobicContact CG1-CD1 4.14Å; V362-A392 HydrophobicContact CG1-CB 4.29Å; V362-W412 HydrophobicContact CG2-CD2 3.55Å; V362-W412 HydrophobicContact CG2-CE3 4.1Å; V362-W412 HydrophobicContact CG2-CG 3.8Å; V362-W412 HydrophobicContact CG2-CZ2 4.09Å |
| 363 | Y | 97 | Very high | 93.1 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | trans | 48.3 | 68.3 | 170 | -60.2 | -97.1 | 0 | 0 | 0 | 114.4 | M361 Q375 V376 F386 P387 N388 | M361-Y363 VanDerWaalsContact O-CD2 3.31Å; M361-Y363 WeakPolarHBondContact O-CD2 3.36Å; M361-Y363 WeakPolarHBondContact O-CE2 3.26Å; Y363-Q375 WeakPolarHBondContact O-CB 3.06Å; Y363-Q375 WeakPolarHBondContact O-CG 3.42Å; Y363-Q375 PolarHBondContact O-N 2.86Å; Y363-V376 HydrophobicContact CD2-CG2 4.04Å; Y363-V376 HydrophobicContact CG-CG2 4.49Å; Y363-F386 AromaticContact CD1-CD1 3.68Å; Y363-F386 HydrophobicContact CD1-CD1 3.68Å; Y363-F386 HydrophobicContact CD1-CE1 4.35Å; Y363-F386 HydrophobicContact CD2-CB 3.73Å; Y363-F386 AromaticContact CD2-CD1 3.79Å; Y363-F386 HydrophobicContact CD2-CD1 3.79Å; Y363-F386 HydrophobicContact CD2-CG 4.1Å; Y363-F386 HydrophobicContact CE1-CD1 4.05Å; Y363-F386 HydrophobicContact CE2-CB 3.54Å; Y363-F386 HydrophobicContact CE2-CD1 4.18Å; Y363-F386 HydrophobicContact CE2-CG 4.32Å; Y363-F386 HydrophobicContact CG-CB 4.36Å; Y363-F386 AromaticContact CG-CD1 3.52Å; Y363-F386 HydrophobicContact CG-CD1 3.52Å; Y363-F386 HydrophobicContact CG-CE1 4.24Å; Y363-F386 HydrophobicContact CG-CG 4.29Å; Y363-P387 VanDerWaalsContact OH-CD 3.27Å; Y363-P387 WeakPolarHBondContact OH-CD 3.03Å; Y363-N388 HydrophobicContact CE2-CB 3.98Å; Y363-N388 VanDerWaalsContact OH-CB 3.31Å; Y363-N388 WeakPolarHBondContact OH-CB 3.31Å; Y363-N388 PolarHBondContact OH-N 3.11Å | ||
| 364 | P | 96.8 | Very high | 93 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 24% | 0.24 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -55.7 | 150.2 | 173.2 | -22.6 | 35.9 | 0 | 0 | 0 | 111.1 | S359 E366 Q375 W412 | S359-P364 VanDerWaalsContact O-CD 3.23Å; S359-P364 WeakPolarHBondContact O-CD 3.29Å; S359-P364 WeakPolarHBondContact O-CG 3.35Å; P364-E366 PolarHBondContact O-N 2.83Å; P364-Q375 PolarHBondContact O-NE2 2.96Å; P364-W412 HydrophobicContact CB-CH2 3.71Å; P364-W412 HydrophobicContact CB-CZ2 4.16Å; P364-W412 HydrophobicContact CG-CH2 3.65Å; P364-W412 HydrophobicContact CG-CZ2 3.61Å |
| 365 | I | 94.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 69 Ų | 69 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | trans | -66.7 | 124.3 | 167.9 | -65.1 | 170.7 | 0 | 0 | 0 | 107.8 | T257 S367 M370 R371 T373 Q375 | T257-I365 HydrophobicContact CG2-CD1 4.47Å; I365-S367 WeakPolarHBondContact CG2-O 3.45Å; I365-M370 HydrophobicContact CD1-CB 4.05Å; I365-M370 HydrophobicContact CD1-CE 4.48Å; I365-R371 WeakPolarHBondContact O-CA 3.11Å; I365-R371 WeakPolarHBondContact O-CG 3Å; I365-T373 HydrophobicContact CD1-CG2 4.21Å; I365-T373 WeakPolarHBondContact CG1-O 3.29Å; I365-T373 PolarHBondContact N-O 3.14Å; I365-Q375 HydrophobicContact CG1-CG 3.78Å | ||
| 366 | E | 87.8 | Confident | 92.7 | Very high | 177 Ų | 177 | 69 Ų | 69 | 83% | 0.827 | 36% | 0.363 | S | S | * | . | trans | -80.4 | -23.8 | -169.4 | -63.7 | -176.5 | 171.4 | 0 | 0 | 114.1 | P364 | P364-E366 PolarHBondContact O-N 2.83Š| ||
| 367 | S | 82.7 | Confident | 92.5 | Very high | 93 Ų | 93 | 69 Ų | 69 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -133.7 | 160.9 | -171.2 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | I365 | I365-S367 WeakPolarHBondContact CG2-O 3.45Š|
| 368 | G | 82.5 | Confident | 92.2 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 80.8 | -158.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R371 | G368-R371 PolarHBondContact O-NE 3.46Š|
| 369 | L | 79.6 | Confident | 91.7 | Very high | 143 Ų | 143 | 63.1 Ų | 63.1 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -86.6 | -16.4 | -174 | -63.1 | 173.8 | 0 | 0 | 0 | 113.2 | R371 | L369-R371 VanDerWaalsContact C-N 3.35Å; L369-R371 PolarHBondContact O-N 3.18Å |
| 370 | M | 86.2 | Confident | 91.2 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | trans | -95.3 | 30.6 | -174.2 | -61.9 | -175.1 | -71 | 0 | 0 | 113.5 | Y256 T257 I365 N372 T373 | Y256-M370 HydrophobicContact CD2-SD 4.08Å; Y256-M370 HydrophobicContact CE2-SD 4.22Å; T257-M370 HydrophobicContact CG2-SD 4.38Å; I365-M370 HydrophobicContact CD1-CB 4.05Å; I365-M370 HydrophobicContact CD1-CE 4.48Å; M370-N372 PolarHBondContact O-N 2.78Å; M370-N372 VanDerWaalsContact O-N 3.14Å; M370-T373 WeakPolarHBondContact O-CB 3.39Å; M370-T373 PolarHBondContact O-N 2.89Å | ||
| 371 | R | 89.8 | Confident | 90.9 | Very high | 168 Ų | 168 | 56.8 Ų | 56.8 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.7 | -176.4 | -75.4 | -176.3 | -94 | 170 | -3 | 114.2 | I365 G368 L369 T373 | I365-R371 WeakPolarHBondContact O-CA 3.11Å; I365-R371 WeakPolarHBondContact O-CG 3Å; G368-R371 PolarHBondContact O-NE 3.46Å; L369-R371 VanDerWaalsContact C-N 3.35Å; L369-R371 PolarHBondContact O-N 3.18Å; R371-T373 VanDerWaalsContact C-N 3.28Å |
| 372 | N | 94.4 | Very high | 90.6 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.1 | 171.9 | 71.5 | -39.6 | 0 | 0 | 0 | 113.2 | H334 T335 M370 W412 | H334-N372 CarbonylContact C-O 3.44Å; H334-N372 WeakPolarHBondContact CA-O 3.3Å; H334-N372 VanDerWaalsContact CB-O 3.23Å; H334-N372 WeakPolarHBondContact CB-O 3.38Å; T335-N372 PolarHBondContact N-O 2.77Å; T335-N372 PolarHBondContact O-ND2 2.81Å; T335-N372 VanDerWaalsContact O-ND2 3.11Å; M370-N372 PolarHBondContact O-N 2.78Å; M370-N372 VanDerWaalsContact O-N 3.14Å; N372-W412 WeakPolarHBondContact O-CZ3 3.3Å |
| 373 | T | 96.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 144.4 | 179.9 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | Y256 T257 P332 I365 M370 R371 | Y256-T373 HydrophobicContact CE2-CG2 3.98Å; Y256-T373 WeakPolarHBondContact OH-CG2 3.43Å; Y256-T373 PolarHBondContact OH-OG1 3.44Å; T257-T373 HydrophobicContact CG2-CG2 3.76Å; P332-T373 HydrophobicContact CB-CG2 4.18Å; I365-T373 HydrophobicContact CD1-CG2 4.21Å; I365-T373 WeakPolarHBondContact CG1-O 3.29Å; I365-T373 PolarHBondContact N-O 3.14Å; M370-T373 WeakPolarHBondContact O-CB 3.39Å; M370-T373 PolarHBondContact O-N 2.89Å; R371-T373 VanDerWaalsContact C-N 3.28Å |
| 374 | S | 96.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 151.1 | 179.3 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | L333 V362 V376 | L333-S374 VanDerWaalsContact O-CB 3.31Å; L333-S374 WeakPolarHBondContact O-CB 3.14Å; L333-S374 PolarHBondContact O-N 2.81Å; V362-S374 VanDerWaalsContact O-CB 3.29Å; V362-S374 WeakPolarHBondContact O-CB 3.49Å; V362-S374 PolarHBondContact O-OG 2.95Å; S374-V376 VanDerWaalsContact C-N 3.26Å; S374-V376 WeakPolarHBondContact OG-CB 3.4Å; S374-V376 PolarHBondContact OG-N 2.52Å |
| 375 | Q | 94.9 | Very high | 90.2 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.6 | -14.8 | 171.2 | -61.1 | 175.1 | 57.7 | 0 | 0 | 112.8 | Y363 P364 I365 F386 | Y363-Q375 WeakPolarHBondContact O-CB 3.06Å; Y363-Q375 WeakPolarHBondContact O-CG 3.42Å; Y363-Q375 PolarHBondContact O-N 2.86Å; P364-Q375 PolarHBondContact O-NE2 2.96Å; I365-Q375 HydrophobicContact CG1-CG 3.78Å; Q375-F386 HydrophobicContact CB-CE1 3.81Å; Q375-F386 HydrophobicContact CB-CZ 3.77Å |
| 376 | V | 93.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | trans | -83.6 | 131 | -174.3 | 177.2 | 0 | 0 | 0 | 0 | 111 | Y363 S374 M378 P381 F386 L389 | Y363-V376 HydrophobicContact CD2-CG2 4.04Å; Y363-V376 HydrophobicContact CG-CG2 4.49Å; S374-V376 VanDerWaalsContact C-N 3.26Å; S374-V376 WeakPolarHBondContact OG-CB 3.4Å; S374-V376 PolarHBondContact OG-N 2.52Å; V376-M378 HydrophobicContact CG1-SD 3.78Å; V376-P381 HydrophobicContact CG1-CB 4.36Å; V376-F386 HydrophobicContact CG2-CB 4.03Å; V376-F386 HydrophobicContact CG2-CD1 4.18Å; V376-F386 HydrophobicContact CG2-CD2 3.85Å; V376-F386 HydrophobicContact CG2-CE2 4.34Å; V376-F386 HydrophobicContact CG2-CG 3.75Å; V376-L389 HydrophobicContact CG1-CD1 4.25Å; V376-L389 HydrophobicContact CG1-CD2 3.48Å; V376-L389 VanDerWaalsContact CG1-CD2 3.48Å; V376-L389 HydrophobicContact CG1-CG 4.48Å; V376-L389 HydrophobicContact CG2-CD1 4.48Å; V376-L389 HydrophobicContact CG2-CD2 4.43Å | ||
| 377 | D | 91.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | trans | -88.9 | 111.7 | 163.9 | -172.7 | -3.9 | 0 | 0 | 0 | 111.3 | R255 A379 G380 P381 | R255-D377 IonicContact CZ-OD2 2.81Å; R255-D377 IonicContact NH1-OD2 3.63Å; R255-D377 PolarHBondContact NH1-OD2 2.83Å; D377-A379 PolarHBondContact O-N 3.36Å; D377-A379 VanDerWaalsContact OD1-CB 3.3Å; D377-A379 WeakPolarHBondContact OD1-CB 3.45Å; D377-A379 PolarHBondContact OD1-N 2.84Å; D377-G380 CarbonylContact O-C 3.57Å; D377-G380 PolarHBondContact O-N 2.93Å; D377-P381 VanDerWaalsContact O-CA 3.3Å; D377-P381 WeakPolarHBondContact O-CA 3.38Å; D377-P381 VanDerWaalsContact O-N 3.16Å | ||
| 378 | M | 90.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.5 | -179.4 | -62.9 | -61.8 | -84.9 | 0 | 0 | 113.9 | C186 I189 L333 V376 G380 L389 V394 Y414 | C186-M378 PolarHBondContact N-O 3.07Å; I189-M378 HydrophobicContact CD1-CE 3.87Å; I189-M378 HydrophobicContact CD1-SD 4.48Å; L333-M378 HydrophobicContact CB-CG 4.14Å; L333-M378 HydrophobicContact CD1-CG 4.35Å; L333-M378 HydrophobicContact CD2-CG 4.03Å; L333-M378 HydrophobicContact CD2-SD 4.02Å; L333-M378 HydrophobicContact CG-CG 4.41Å; V376-M378 HydrophobicContact CG1-SD 3.78Å; M378-G380 VanDerWaalsContact C-N 3.34Å; M378-L389 HydrophobicContact SD-CD1 4.35Å; M378-V394 HydrophobicContact CE-CG1 4.44Å; M378-V394 HydrophobicContact CE-CG2 4.03Å; M378-Y414 HydrophobicContact CB-CD1 3.97Å; M378-Y414 HydrophobicContact CB-CD2 3.93Å; M378-Y414 HydrophobicContact CB-CE1 4.38Å; M378-Y414 HydrophobicContact CB-CE2 4.3Å; M378-Y414 HydrophobicContact CB-CG 3.75Å; M378-Y414 HydrophobicContact CG-CD2 4.33Å; M378-Y414 HydrophobicContact CG-CG 4.15Å |
| 379 | A | 86.3 | Confident | 91.9 | Very high | 30 Ų | 30 | 56 Ų | 56 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -29.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | F185 D377 | F185-A379 HydrophobicContact CD1-CB 4.42Å; F185-A379 HydrophobicContact CE1-CB 4.39Å; D377-A379 PolarHBondContact O-N 3.36Å; D377-A379 VanDerWaalsContact OD1-CB 3.3Å; D377-A379 WeakPolarHBondContact OD1-CB 3.45Å; D377-A379 PolarHBondContact OD1-N 2.84Å |
| 380 | G | 85.8 | Confident | 92.6 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -158.3 | 76.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D377 M378 D382 | D377-G380 CarbonylContact O-C 3.57Å; D377-G380 PolarHBondContact O-N 2.93Å; M378-G380 VanDerWaalsContact C-N 3.34Å; G380-D382 PolarHBondContact O-N 3.01Å |
| 381 | P | 88.1 | Confident | 93 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | trans | -64.9 | 129.6 | -172.1 | -19.5 | 30.1 | 0 | 0 | 0 | 113 | V376 D377 F383 L389 | V376-P381 HydrophobicContact CG1-CB 4.36Å; D377-P381 VanDerWaalsContact O-CA 3.3Å; D377-P381 WeakPolarHBondContact O-CA 3.38Å; D377-P381 VanDerWaalsContact O-N 3.16Å; P381-F383 HydrophobicContact CB-CE1 4.34Å; P381-F383 HydrophobicContact CB-CE2 3.97Å; P381-F383 HydrophobicContact CB-CZ 3.87Å; P381-F383 HydrophobicContact CG-CZ 4.31Å; P381-F383 WeakPolarHBondContact O-CD2 3.48Å; P381-F383 PolarHBondContact O-N 3.33Å; P381-L389 HydrophobicContact CB-CD2 3.49Å; P381-L389 VanDerWaalsContact CB-CD2 3.49Å; P381-L389 HydrophobicContact CG-CD2 4.11Å | ||
| 382 | D | 91.9 | Very high | 93.3 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | trans | -83.3 | 99.3 | 170.8 | -175.7 | -14.3 | 0 | 0 | 0 | 109.9 | G380 D384 A385 F386 | G380-D382 PolarHBondContact O-N 3.01Å; D382-D384 VanDerWaalsContact C-N 3.31Å; D382-D384 WeakPolarHBondContact OD1-CB 3.27Å; D382-D384 PolarHBondContact OD1-N 3.28Å; D382-A385 HydrophobicContact CB-CB 4.12Å; D382-A385 PolarHBondContact OD1-N 3.05Å; D382-F386 HydrophobicContact CB-CD2 4.3Å; D382-F386 WeakPolarHBondContact O-CA 3.41Å; D382-F386 VanDerWaalsContact O-CB 3.32Å; D382-F386 WeakPolarHBondContact O-CB 3.32Å; D382-F386 VanDerWaalsContact O-CD2 3.27Å; D382-F386 WeakPolarHBondContact O-CD2 3.5Å; D382-F386 PolarHBondContact O-N 2.87Å | ||
| 383 | F | 92.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.9 | 179.4 | -65.5 | -74.3 | 0 | 0 | 0 | 114.4 | F187 I189 P381 P387 L389 R390 | F187-F383 WeakPolarHBondContact O-CE2 3.45Å; F187-F383 WeakPolarHBondContact O-CZ 3.11Å; I189-F383 HydrophobicContact CG1-CE1 4.05Å; I189-F383 HydrophobicContact CG1-CZ 3.85Å; P381-F383 HydrophobicContact CB-CE1 4.34Å; P381-F383 HydrophobicContact CB-CE2 3.97Å; P381-F383 HydrophobicContact CB-CZ 3.87Å; P381-F383 HydrophobicContact CG-CZ 4.31Å; P381-F383 WeakPolarHBondContact O-CD2 3.48Å; P381-F383 PolarHBondContact O-N 3.33Å; F383-P387 WeakPolarHBondContact O-CA 3.47Å; F383-P387 WeakPolarHBondContact O-CB 3.49Å; F383-L389 HydrophobicContact CD1-CB 4.36Å; F383-L389 HydrophobicContact CD1-CD2 4.47Å; F383-L389 HydrophobicContact CE1-CB 4.14Å; F383-L389 HydrophobicContact CE1-CD2 3.87Å; F383-L389 HydrophobicContact CE1-CG 4.16Å; F383-L389 HydrophobicContact CZ-CD2 4.4Å; F383-R390 VanDerWaalsContact CB-NH2 3.29Å; F383-R390 HydrophobicContact CD1-CG 3.38Å; F383-R390 HydrophobicContact CE1-CG 3.57Å; F383-R390 HydrophobicContact CG-CG 4.21Å; F383-R390 VanDerWaalsContact CG-CZ 3.44Å |
| 384 | D | 94.7 | Very high | 93.2 | Very high | 156 Ų | 156 | 49.2 Ų | 49.2 | 83% | 0.834 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -40.3 | 173.2 | -66.5 | -24.6 | 0 | 0 | 0 | 108.8 | D382 | D382-D384 VanDerWaalsContact C-N 3.31Å; D382-D384 WeakPolarHBondContact OD1-CB 3.27Å; D382-D384 PolarHBondContact OD1-N 3.28Å |
| 385 | A | 94.9 | Very high | 93 | Very high | 51 Ų | 51 | 51 Ų | 51 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -40.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D382 P387 | D382-A385 HydrophobicContact CB-CB 4.12Å; D382-A385 PolarHBondContact OD1-N 3.05Å; A385-P387 VanDerWaalsContact O-CD 3.28Å; A385-P387 WeakPolarHBondContact O-CD 3.41Å |
| 386 | F | 95.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | trans | -122.8 | 58.7 | -171.1 | -50.7 | -61.1 | 0 | 0 | 0 | 113.3 | Y363 Q375 V376 D382 N388 L389 | Y363-F386 AromaticContact CD1-CD1 3.68Å; Y363-F386 HydrophobicContact CD1-CD1 3.68Å; Y363-F386 HydrophobicContact CD1-CE1 4.35Å; Y363-F386 HydrophobicContact CD2-CB 3.73Å; Y363-F386 AromaticContact CD2-CD1 3.79Å; Y363-F386 HydrophobicContact CD2-CD1 3.79Å; Y363-F386 HydrophobicContact CD2-CG 4.1Å; Y363-F386 HydrophobicContact CE1-CD1 4.05Å; Y363-F386 HydrophobicContact CE2-CB 3.54Å; Y363-F386 HydrophobicContact CE2-CD1 4.18Å; Y363-F386 HydrophobicContact CE2-CG 4.32Å; Y363-F386 HydrophobicContact CG-CB 4.36Å; Y363-F386 AromaticContact CG-CD1 3.52Å; Y363-F386 HydrophobicContact CG-CD1 3.52Å; Y363-F386 HydrophobicContact CG-CE1 4.24Å; Y363-F386 HydrophobicContact CG-CG 4.29Å; Q375-F386 HydrophobicContact CB-CE1 3.81Å; Q375-F386 HydrophobicContact CB-CZ 3.77Å; V376-F386 HydrophobicContact CG2-CB 4.03Å; V376-F386 HydrophobicContact CG2-CD1 4.18Å; V376-F386 HydrophobicContact CG2-CD2 3.85Å; V376-F386 HydrophobicContact CG2-CE2 4.34Å; V376-F386 HydrophobicContact CG2-CG 3.75Å; D382-F386 HydrophobicContact CB-CD2 4.3Å; D382-F386 WeakPolarHBondContact O-CA 3.41Å; D382-F386 VanDerWaalsContact O-CB 3.32Å; D382-F386 WeakPolarHBondContact O-CB 3.32Å; D382-F386 VanDerWaalsContact O-CD2 3.27Å; D382-F386 WeakPolarHBondContact O-CD2 3.5Å; D382-F386 PolarHBondContact O-N 2.87Å; F386-N388 VanDerWaalsContact C-N 3.29Å; F386-N388 PolarHBondContact O-N 3.01Å; F386-L389 HydrophobicContact CB-CB 4.47Å; F386-L389 VanDerWaalsContact O-CB 3.23Å; F386-L389 WeakPolarHBondContact O-CB 3.12Å; F386-L389 PolarHBondContact O-N 3.11Å; F386-L389 VanDerWaalsContact O-N 3.12Å | ||
| 387 | P | 95.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -62.9 | -29.6 | -171.1 | 23.7 | -35.5 | 0 | 0 | 0 | 114.6 | Y363 F383 A385 L389 R390 | Y363-P387 VanDerWaalsContact OH-CD 3.27Å; Y363-P387 WeakPolarHBondContact OH-CD 3.03Å; F383-P387 WeakPolarHBondContact O-CA 3.47Å; F383-P387 WeakPolarHBondContact O-CB 3.49Å; A385-P387 VanDerWaalsContact O-CD 3.28Å; A385-P387 WeakPolarHBondContact O-CD 3.41Å; P387-L389 PolarHBondContact O-N 2.87Å; P387-R390 PolarHBondContact O-N 2.9Å |
| 388 | N | 95.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 44 Ų | 44 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -70.7 | -17.5 | 180 | -74.8 | -35.3 | 0 | 0 | 0 | 113.1 | M361 Y363 F386 R390 K391 | M361-N388 HydrophobicContact SD-CB 3.71Å; Y363-N388 HydrophobicContact CE2-CB 3.98Å; Y363-N388 VanDerWaalsContact OH-CB 3.31Å; Y363-N388 WeakPolarHBondContact OH-CB 3.31Å; Y363-N388 PolarHBondContact OH-N 3.11Å; F386-N388 VanDerWaalsContact C-N 3.29Å; F386-N388 PolarHBondContact O-N 3.01Å; N388-R390 PolarHBondContact O-N 2.92Å; N388-R390 VanDerWaalsContact O-N 3.09Å; N388-K391 WeakPolarHBondContact O-CB 3.47Å; N388-K391 PolarHBondContact O-N 2.59Å; N388-K391 PolarHBondContact OD1-NZ 3.45Å |
| 389 | L | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.4 | -28.2 | 176.1 | -175.7 | 69.9 | 0 | 0 | 0 | 112.1 | I189 M361 V362 V376 M378 P381 F383 F386 P387 K391 A392 | I189-L389 HydrophobicContact CD1-CD1 4.21Å; I189-L389 HydrophobicContact CD1-CD2 4.03Å; I189-L389 HydrophobicContact CD1-CG 3.87Å; I189-L389 HydrophobicContact CG1-CD2 4.45Å; I189-L389 HydrophobicContact CG1-CG 4.27Å; M361-L389 VanDerWaalsContact O-CA 3.3Å; M361-L389 WeakPolarHBondContact O-CA 3.36Å; M361-L389 PolarHBondContact O-N 3.29Å; V362-L389 HydrophobicContact CG1-CD1 4.14Å; V376-L389 HydrophobicContact CG1-CD1 4.25Å; V376-L389 HydrophobicContact CG1-CD2 3.48Å; V376-L389 VanDerWaalsContact CG1-CD2 3.48Å; V376-L389 HydrophobicContact CG1-CG 4.48Å; V376-L389 HydrophobicContact CG2-CD1 4.48Å; V376-L389 HydrophobicContact CG2-CD2 4.43Å; M378-L389 HydrophobicContact SD-CD1 4.35Å; P381-L389 HydrophobicContact CB-CD2 3.49Å; P381-L389 VanDerWaalsContact CB-CD2 3.49Å; P381-L389 HydrophobicContact CG-CD2 4.11Å; F383-L389 HydrophobicContact CD1-CB 4.36Å; F383-L389 HydrophobicContact CD1-CD2 4.47Å; F383-L389 HydrophobicContact CE1-CB 4.14Å; F383-L389 HydrophobicContact CE1-CD2 3.87Å; F383-L389 HydrophobicContact CE1-CG 4.16Å; F383-L389 HydrophobicContact CZ-CD2 4.4Å; F386-L389 HydrophobicContact CB-CB 4.47Å; F386-L389 VanDerWaalsContact O-CB 3.23Å; F386-L389 WeakPolarHBondContact O-CB 3.12Å; F386-L389 PolarHBondContact O-N 3.11Å; F386-L389 VanDerWaalsContact O-N 3.12Å; P387-L389 PolarHBondContact O-N 2.87Å; L389-K391 PolarHBondContact O-N 3.48Å; L389-K391 VanDerWaalsContact O-N 3.11Å; L389-A392 HydrophobicContact CD1-CB 4.3Å; L389-A392 WeakPolarHBondContact O-CB 3.33Å; L389-A392 PolarHBondContact O-N 3.44Å |
| 390 | R | 93.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.5 | -20.7 | 175.3 | -63.2 | -171.3 | -178 | -79.1 | 3.4 | 114 | G188 N190 F383 P387 N388 | G188-R390 PolarHBondContact O-NH1 3.27Å; N190-R390 PolarHBondContact ND2-O 2.98Å; F383-R390 VanDerWaalsContact CB-NH2 3.29Å; F383-R390 HydrophobicContact CD1-CG 3.38Å; F383-R390 HydrophobicContact CE1-CG 3.57Å; F383-R390 HydrophobicContact CG-CG 4.21Å; F383-R390 VanDerWaalsContact CG-CZ 3.44Å; P387-R390 PolarHBondContact O-N 2.9Å; N388-R390 PolarHBondContact O-N 2.92Å; N388-R390 VanDerWaalsContact O-N 3.09Å |
| 391 | K | 95.1 | Very high | 93.5 | Very high | 125 Ų | 125 | 46.1 Ų | 46.1 | 54% | 0.543 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -94.3 | -14.5 | 179.7 | -56.9 | 171.3 | -174.8 | 160.5 | 0 | 112.3 | M361 N388 L389 | M361-K391 HydrophobicContact SD-CB 4.37Å; M361-K391 HydrophobicContact SD-CD 4.36Å; N388-K391 WeakPolarHBondContact O-CB 3.47Å; N388-K391 PolarHBondContact O-N 2.59Å; N388-K391 PolarHBondContact OD1-NZ 3.45Å; L389-K391 PolarHBondContact O-N 3.48Å; L389-K391 VanDerWaalsContact O-N 3.11Å |
| 392 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67 | 142.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M361 V362 L389 | M361-A392 HydrophobicContact CB-CB 3.93Å; V362-A392 HydrophobicContact CG1-CB 4.29Å; L389-A392 HydrophobicContact CD1-CB 4.3Å; L389-A392 WeakPolarHBondContact O-CB 3.33Å; L389-A392 PolarHBondContact O-N 3.44Å |
| 393 | R | 94.7 | Very high | 94 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.8 | 168.7 | -62.2 | 167 | -73.4 | 178.2 | -3.8 | 108.2 | L191 C354 P355 D357 D358 Y395 | L191-R393 HydrophobicContact CB-CG 4.27Å; L191-R393 HydrophobicContact CD1-CG 3.98Å; L191-R393 WeakPolarHBondContact O-CA 3.46Å; C354-R393 WeakPolarHBondContact CA-O 3.25Å; P355-R393 VanDerWaalsContact CD-O 3.26Å; P355-R393 WeakPolarHBondContact CD-O 3.3Å; P355-R393 HydrophobicContact CG-CB 4.19Å; D357-R393 IonicContact OD2-NH2 3.69Å; D358-R393 IonicContact OD1-CZ 2.83Å; D358-R393 IonicContact OD1-NE 2.78Å; D358-R393 PolarHBondContact OD1-NE 3.19Å; D358-R393 IonicContact OD1-NH2 3.9Å; D358-R393 PolarHBondContact OD1-NH2 2.91Å; D358-R393 VanDerWaalsContact OD2-CB 3.23Å; D358-R393 WeakPolarHBondContact OD2-CB 3.34Å; D358-R393 WeakPolarHBondContact OD2-CG 3.44Å; D358-R393 IonicContact OD2-CZ 3.04Å; D358-R393 PolarHBondContact OD2-N 3.39Å; D358-R393 IonicContact OD2-NE 3.98Å; D358-R393 PolarHBondContact OD2-NE 2.89Å; D358-R393 IonicContact OD2-NH2 3.18Å; R393-Y395 HydrophobicContact CB-CE2 4.18Å |
| 394 | V | 93.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.1 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | C186 I189 L191 R192 A193 C352 L353 M378 E396 | C186-V394 HydrophobicContact CB-CG1 4.4Å; I189-V394 HydrophobicContact CD1-CG2 3.72Å; I189-V394 HydrophobicContact CG2-CB 4.39Å; I189-V394 HydrophobicContact CG2-CG2 3.78Å; L191-V394 PolarHBondContact O-N 3.32Å; R192-V394 CarbonylContact C-O 3.55Å; R192-V394 VanDerWaalsContact CA-O 3.3Å; R192-V394 WeakPolarHBondContact CA-O 3.44Å; R192-V394 HydrophobicContact CG-CB 4.49Å; A193-V394 PolarHBondContact N-O 2.8Å; C352-V394 HydrophobicContact CB-CG1 3.83Å; L353-V394 CarbonylContact O-C 3.58Å; L353-V394 WeakPolarHBondContact O-CA 3.34Å; M378-V394 HydrophobicContact CE-CG1 4.44Å; M378-V394 HydrophobicContact CE-CG2 4.03Å; V394-E396 HydrophobicContact CG1-CG 3.75Å |
| 395 | Y | 93.7 | Very high | 94.5 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.6 | 173.6 | -61 | -99.7 | 0 | 0 | 0 | 109.6 | A193 C352 L353 R393 W411 | A193-Y395 HydrophobicContact CB-CD1 4.13Å; A193-Y395 HydrophobicContact CB-CE1 4.17Å; A193-Y395 WeakPolarHBondContact O-CA 3.18Å; C352-Y395 CarbonylContact C-O 3.59Å; C352-Y395 VanDerWaalsContact CA-O 3.26Å; C352-Y395 WeakPolarHBondContact CA-O 3.14Å; L353-Y395 WeakPolarHBondContact CD1-O 3.43Å; L353-Y395 PolarHBondContact N-O 2.83Å; L353-Y395 PolarHBondContact O-N 3.31Å; R393-Y395 HydrophobicContact CB-CE2 4.18Å; Y395-W411 HydrophobicContact CD2-CH2 4Å; Y395-W411 AromaticContact CD2-CZ3 3.61Å; Y395-W411 HydrophobicContact CD2-CZ3 3.61Å; Y395-W411 AromaticContact CE2-CH2 3.83Å; Y395-W411 HydrophobicContact CE2-CH2 3.83Å; Y395-W411 AromaticContact CE2-CZ3 3.88Å; Y395-W411 HydrophobicContact CE2-CZ3 3.88Å; Y395-W411 HydrophobicContact CG-CZ3 4.33Å |
| 396 | E | 91.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149 | -174.5 | -36.9 | 158 | 59.2 | 0 | 0 | 111 | L156 Y157 R192 A193 V195 Y350 I351 C352 V394 | L156-E396 HydrophobicContact CD2-CB 4.18Å; Y157-E396 WeakPolarHBondContact CD1-OE2 3Å; Y157-E396 HydrophobicContact CE1-CB 4.34Å; Y157-E396 HydrophobicContact CE1-CG 4.05Å; Y157-E396 WeakPolarHBondContact CE1-OE2 3.26Å; Y157-E396 HydrophobicContact CE2-CB 4.47Å; Y157-E396 WeakPolarHBondContact OH-CA 3.33Å; Y157-E396 WeakPolarHBondContact OH-CB 3.44Å; Y157-E396 WeakPolarHBondContact OH-CG 3.29Å; Y157-E396 PolarHBondContact OH-N 3.16Å; Y157-E396 PolarHBondContact OH-O 2.88Å; R192-E396 IonicContact CZ-OE1 3.86Å; R192-E396 IonicContact CZ-OE2 3.75Å; R192-E396 IonicContact NE-OE1 3Å; R192-E396 IonicContact NE-OE2 3.38Å; R192-E396 PolarHBondContact NE-OE2 2.74Å; R192-E396 IonicContact NH2-OE1 3.76Å; R192-E396 PolarHBondContact NH2-OE1 3.28Å; R192-E396 IonicContact NH2-OE2 2.64Å; R192-E396 PolarHBondContact NH2-OE2 3.3Å; A193-E396 PolarHBondContact O-N 3.24Å; V195-E396 PolarHBondContact N-O 3.4Å; V195-E396 VanDerWaalsContact N-O 3.13Å; Y350-E396 HydrophobicContact CE2-CB 3.97Å; Y350-E396 HydrophobicContact CE2-CG 4.41Å; Y350-E396 WeakPolarHBondContact OH-CG 3.48Å; Y350-E396 PolarHBondContact OH-OE1 2.71Å; I351-E396 CarbonylContact O-C 3.39Å; I351-E396 VanDerWaalsContact O-CA 3.29Å; I351-E396 WeakPolarHBondContact O-CA 3.11Å; C352-E396 HydrophobicContact CB-CB 4.38Å; C352-E396 HydrophobicContact CB-CG 4.01Å; V394-E396 HydrophobicContact CG1-CG 3.75Å |
| 397 | T | 90.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 163.8 | 172.9 | -169.2 | 0 | 0 | 0 | 0 | 110 | V195 V220 I351 V399 L405 | V195-T397 HydrophobicContact CB-CG2 4.38Å; V195-T397 HydrophobicContact CG2-CG2 4.12Å; V220-T397 HydrophobicContact CG2-CG2 4.19Å; I351-T397 HydrophobicContact CB-CG2 4.02Å; I351-T397 PolarHBondContact N-O 3.44Å; I351-T397 PolarHBondContact O-N 2.71Å; I351-T397 VanDerWaalsContact O-O 3.13Å; T397-V399 HydrophobicContact CG2-CG1 4.15Å; T397-L405 HydrophobicContact CG2-CD2 4.3Å |
| 398 | V | 90.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.5 | 165.2 | 179.4 | 0 | 0 | 0 | 0 | 107 | I154 L156 L161 I163 R197 V348 K349 Y350 | I154-V398 HydrophobicContact CD1-CG1 4.14Å; I154-V398 HydrophobicContact CD1-CG2 3.72Å; I154-V398 HydrophobicContact CG2-CG2 4.28Å; L156-V398 HydrophobicContact CD1-CG2 3.99Å; L156-V398 HydrophobicContact CD2-CG2 4.17Å; L156-V398 HydrophobicContact CG-CG2 4.44Å; L161-V398 HydrophobicContact CD2-CG2 4.46Å; I163-V398 HydrophobicContact CD1-CB 3.88Å; I163-V398 HydrophobicContact CD1-CG1 3.4Å; I163-V398 VanDerWaalsContact CD1-CG1 3.4Å; I163-V398 HydrophobicContact CD1-CG2 3.94Å; R197-V398 PolarHBondContact NH1-O 3.18Å; R197-V398 VanDerWaalsContact NH1-O 3.08Å; V348-V398 HydrophobicContact CG1-CG1 3.2Å; K349-V398 WeakPolarHBondContact O-CA 3.17Å; Y350-V398 HydrophobicContact CD2-CG2 4.32Å |
| 399 | V | 92 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.5 | 179 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | F342 Q344 V348 K349 I351 T397 D403 L405 | F342-V399 HydrophobicContact CE1-CG2 4.12Å; Q344-V399 HydrophobicContact CB-CB 3.99Å; Q344-V399 HydrophobicContact CB-CG2 3.89Å; Q344-V399 HydrophobicContact CG-CB 4.32Å; Q344-V399 HydrophobicContact CG-CG2 3.97Å; V348-V399 WeakPolarHBondContact CA-O 3.45Å; K349-V399 HydrophobicContact CB-CG2 3.78Å; K349-V399 PolarHBondContact N-O 3.38Å; K349-V399 PolarHBondContact O-N 3.17Å; I351-V399 HydrophobicContact CD1-CG1 4Å; I351-V399 HydrophobicContact CD1-CG2 3.7Å; I351-V399 HydrophobicContact CG1-CG2 4.28Å; T397-V399 HydrophobicContact CG2-CG1 4.15Å; V399-D403 WeakPolarHBondContact CA-OD2 2.97Å; V399-D403 HydrophobicContact CB-CB 4.1Å; V399-D403 HydrophobicContact CG1-CB 4.33Å; V399-L405 HydrophobicContact CG1-CB 4.2Å |
| 400 | H | 93 | Very high | 94.9 | Very high | 57 Ų | 57 | 29.7 Ų | 29.7 | 26% | 0.264 | 14% | 0.139 | S | C | . | . | trans | -111.7 | 164.1 | -179.9 | -61 | -78.4 | 0 | 0 | 0 | 110.9 | Q344 G402 D403 | Q344-H400 WeakPolarHBondContact CB-O 3.38Å; H400-G402 PolarHBondContact O-N 2.84Å; H400-G402 VanDerWaalsContact O-N 3.11Å; H400-D403 IonicContact CD2-OD2 3.17Å; H400-D403 PolarHBondContact N-OD2 2.9Å; H400-D403 VanDerWaalsContact O-CB 3.3Å; H400-D403 WeakPolarHBondContact O-CB 3.46Å; H400-D403 PolarHBondContact O-N 2.92Å | ||
| 401 | P | 93.2 | Very high | 95.1 | Very high | 69 Ų | 69 | 25.4 Ų | 25.4 | 45% | 0.448 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 121.4 | 171.1 | -28.6 | 39 | 0 | 0 | 0 | 111.4 | F231 Q344 V345 G347 | F231-P401 HydrophobicContact CD1-CB 4.39Å; F231-P401 HydrophobicContact CE1-CB 4.42Å; Q344-P401 WeakPolarHBondContact O-CA 3.37Å; V345-P401 WeakPolarHBondContact O-CB 3.47Å; G347-P401 VanDerWaalsContact O-CD 3.29Å; G347-P401 WeakPolarHBondContact O-CD 3.4Å |
| 402 | G | 95 | Very high | 95.2 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105 | -15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q344 H400 | Q344-G402 PolarHBondContact O-N 2.77Å; H400-G402 PolarHBondContact O-N 2.84Å; H400-G402 VanDerWaalsContact O-N 3.11Å |
| 403 | D | 97.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 20 Ų | 20 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | trans | -75.7 | 136.8 | 177.5 | -71.2 | -14.5 | 0 | 0 | 0 | 111.4 | R197 V220 Q344 V399 H400 | R197-D403 IonicContact CZ-OD2 3.97Å; R197-D403 IonicContact NH1-OD2 3.79Å; R197-D403 PolarHBondContact NH1-OD2 3.43Å; R197-D403 IonicContact NH2-OD1 2.9Å; R197-D403 PolarHBondContact NH2-OD1 2.96Å; R197-D403 IonicContact NH2-OD2 3.83Å; R197-D403 PolarHBondContact NH2-OD2 2.9Å; V220-D403 HydrophobicContact CG1-CB 3.83Å; Q344-D403 PolarHBondContact N-O 2.82Å; V399-D403 WeakPolarHBondContact CA-OD2 2.97Å; V399-D403 HydrophobicContact CB-CB 4.1Å; V399-D403 HydrophobicContact CG1-CB 4.33Å; H400-D403 IonicContact CD2-OD2 3.17Å; H400-D403 PolarHBondContact N-OD2 2.9Å; H400-D403 VanDerWaalsContact O-CB 3.3Å; H400-D403 WeakPolarHBondContact O-CB 3.46Å; H400-D403 PolarHBondContact O-N 2.92Å | ||
| 404 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 104.5 | 171.9 | -174.9 | 67.8 | 0 | 0 | 0 | 109.1 | I221 A224 L225 P306 Y308 L341 F342 A343 | I221-L404 HydrophobicContact CB-CB 4.23Å; I221-L404 WeakPolarHBondContact CB-O 3.3Å; I221-L404 PolarHBondContact N-O 3.09Å; I221-L404 PolarHBondContact O-N 3.42Å; A224-L404 HydrophobicContact CB-CD2 4.3Å; L225-L404 HydrophobicContact CD1-CB 4.14Å; L225-L404 HydrophobicContact CD1-CD1 4.22Å; L225-L404 HydrophobicContact CD2-CB 4.49Å; L225-L404 HydrophobicContact CD2-CD1 4.24Å; L225-L404 HydrophobicContact CD2-CD2 4.14Å; L225-L404 HydrophobicContact CG-CB 4.23Å; P306-L404 HydrophobicContact CB-CD2 3.92Å; P306-L404 HydrophobicContact CG-CD1 4.1Å; P306-L404 HydrophobicContact CG-CD2 4.12Å; Y308-L404 HydrophobicContact CD2-CD2 3.95Å; Y308-L404 HydrophobicContact CE2-CD2 4.1Å; L341-L404 HydrophobicContact CB-CD1 3.81Å; L341-L404 HydrophobicContact CB-CG 4.25Å; L341-L404 HydrophobicContact CD1-CD2 4.31Å; L341-L404 HydrophobicContact CD2-CD2 4.16Å; L341-L404 HydrophobicContact CD2-CG 4.13Å; F342-L404 CarbonylContact O-C 3.44Å; F342-L404 WeakPolarHBondContact O-CA 3.48Å; A343-L404 HydrophobicContact CB-CD1 3.85Å |
| 405 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.4 | 177.9 | 171.9 | 65.6 | 0 | 0 | 0 | 110 | V195 P218 V220 F342 I351 T397 V399 I407 | V195-L405 HydrophobicContact CG1-CD1 4.11Å; P218-L405 HydrophobicContact CB-CD1 4.42Å; V220-L405 HydrophobicContact CG2-CD1 3.93Å; F342-L405 HydrophobicContact CB-CB 4.29Å; F342-L405 PolarHBondContact N-O 3.4Å; F342-L405 PolarHBondContact O-N 3.11Å; I351-L405 HydrophobicContact CB-CD2 4.46Å; I351-L405 HydrophobicContact CD1-CD2 3.6Å; I351-L405 HydrophobicContact CG2-CD2 4Å; T397-L405 HydrophobicContact CG2-CD2 4.3Å; V399-L405 HydrophobicContact CG1-CB 4.2Å; L405-I407 HydrophobicContact CD2-CD1 3.94Å; L405-I407 HydrophobicContact CD2-CG1 3.83Å; L405-I407 HydrophobicContact CG-CD1 4.36Å; L405-I407 HydrophobicContact CG-CG1 3.77Å |
| 406 | F | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122 | 165.4 | 176.4 | -122.6 | 0 | 0 | 0 | 110 | F206 L211 P218 V219 D339 L341 P408 F428 | F206-F406 HydrophobicContact CE2-CB 4.02Å; F206-F406 HydrophobicContact CE2-CD1 4.08Å; F206-F406 HydrophobicContact CE2-CD2 4.35Å; F206-F406 AromaticContact CE2-CG 3.89Å; F206-F406 HydrophobicContact CE2-CG 3.89Å; F206-F406 HydrophobicContact CZ-CB 4.24Å; F206-F406 HydrophobicContact CZ-CD1 4.08Å; F206-F406 AromaticContact CZ-CD2 3.74Å; F206-F406 HydrophobicContact CZ-CD2 3.74Å; F206-F406 HydrophobicContact CZ-CE1 4.36Å; F206-F406 HydrophobicContact CZ-CE2 4.06Å; F206-F406 AromaticContact CZ-CG 3.75Å; F206-F406 HydrophobicContact CZ-CG 3.75Å; F206-F406 HydrophobicContact CZ-CZ 4.36Å; L211-F406 HydrophobicContact CD1-CE2 4.26Å; L211-F406 HydrophobicContact CD1-CZ 4.06Å; P218-F406 WeakPolarHBondContact CA-O 3.32Å; P218-F406 WeakPolarHBondContact CB-O 3.34Å; V219-F406 HydrophobicContact CG1-CB 3.93Å; V219-F406 HydrophobicContact CG1-CD1 4.32Å; V219-F406 PolarHBondContact N-O 3.27Å; V219-F406 PolarHBondContact O-N 3.12Å; D339-F406 HydrophobicContact CB-CE2 4.04Å; L341-F406 HydrophobicContact CD2-CB 3.78Å; L341-F406 HydrophobicContact CD2-CD2 3.88Å; L341-F406 HydrophobicContact CD2-CG 4.27Å; F406-P408 HydrophobicContact CD1-CG 4.12Å; F406-P408 HydrophobicContact CE1-CB 4.07Å; F406-P408 HydrophobicContact CE1-CG 3.65Å; F406-P408 HydrophobicContact CZ-CB 3.99Å; F406-P408 HydrophobicContact CZ-CG 4.07Å; F406-F428 HydrophobicContact CD2-CZ 4.25Å; F406-F428 HydrophobicContact CE2-CE1 4.33Å; F406-F428 AromaticContact CE2-CZ 3.83Å; F406-F428 HydrophobicContact CE2-CZ 3.83Å |
| 407 | I | 98.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106 | 173.3 | -51.1 | 179.9 | 0 | 0 | 0 | 106.7 | N340 F342 L353 L405 W411 | N340-I407 HydrophobicContact CB-CB 4.24Å; N340-I407 PolarHBondContact N-O 3.22Å; N340-I407 PolarHBondContact O-N 2.9Å; F342-I407 HydrophobicContact CB-CD1 4.29Å; L353-I407 HydrophobicContact CD2-CB 4.4Å; L353-I407 HydrophobicContact CD2-CD1 4.4Å; L353-I407 HydrophobicContact CD2-CG1 4.04Å; L353-I407 HydrophobicContact CD2-CG2 3.84Å; L405-I407 HydrophobicContact CD2-CD1 3.94Å; L405-I407 HydrophobicContact CD2-CG1 3.83Å; L405-I407 HydrophobicContact CG-CD1 4.36Å; L405-I407 HydrophobicContact CG-CG1 3.77Å; I407-W411 HydrophobicContact CG2-CB 4.15Å |
| 408 | P | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | trans | -65.9 | 150.4 | 178.4 | -8.8 | 18.9 | 0 | 0 | 0 | 111.5 | Q216 D339 F406 G410 W411 | Q216-P408 HydrophobicContact CB-CB 3.94Å; Q216-P408 HydrophobicContact CB-CG 4.31Å; Q216-P408 WeakPolarHBondContact O-CG 3.47Å; D339-P408 WeakPolarHBondContact OD1-CA 3.45Å; F406-P408 HydrophobicContact CD1-CG 4.12Å; F406-P408 HydrophobicContact CE1-CB 4.07Å; F406-P408 HydrophobicContact CE1-CG 3.65Å; F406-P408 HydrophobicContact CZ-CB 3.99Å; F406-P408 HydrophobicContact CZ-CG 4.07Å; P408-G410 PolarHBondContact O-N 2.98Å; P408-W411 HydrophobicContact CB-CG 4.49Å; P408-W411 HydrophobicContact CG-CG 4.33Å; P408-W411 WeakPolarHBondContact O-CB 3.23Å; P408-W411 PolarHBondContact O-N 3.33Å; P408-W411 VanDerWaalsContact O-N 3.17Å | ||
| 409 | R | 95.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 17.7 Ų | 17.7 | 36% | 0.355 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 136.4 | 177.1 | 175.4 | 169.6 | 59.1 | -175.2 | -4.3 | 112.3 | P337 T338 D339 W411 E433 | P337-R409 WeakPolarHBondContact O-CD 3.29Å; P337-R409 WeakPolarHBondContact O-CG 3.05Å; T338-R409 WeakPolarHBondContact O-CA 3.26Å; D339-R409 PolarHBondContact OD1-N 3.3Å; R409-W411 PolarHBondContact O-N 3.31Å; R409-E433 IonicContact CZ-OE1 2.71Å; R409-E433 VanDerWaalsContact NH1-CD 3.34Å; R409-E433 IonicContact NH1-OE1 2.93Å; R409-E433 PolarHBondContact NH1-OE1 3.05Å; R409-E433 IonicContact NH1-OE2 3.99Å; R409-E433 PolarHBondContact NH1-OE2 3.16Å; R409-E433 IonicContact NH2-OE1 3.66Å |
| 410 | G | 95.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 23% | 0.227 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -4.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T335 D336 P356 P408 W412 | T335-G410 VanDerWaalsContact CG2-O 3.29Å; T335-G410 WeakPolarHBondContact CG2-O 3.47Å; D336-G410 PolarHBondContact O-N 3.29Å; P356-G410 WeakPolarHBondContact CG-O 3.3Å; P408-G410 PolarHBondContact O-N 2.98Å; G410-W412 PolarHBondContact O-N 2.96Å |
| 411 | W | 97.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 17 Ų | 17 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | trans | -68.9 | 129.9 | 171.9 | -82.5 | 68.7 | 0 | 0 | 0 | 110.3 | Q216 K217 P218 L353 P355 Y395 I407 P408 R409 H413 | Q216-W411 WeakPolarHBondContact O-CZ2 3.23Å; Q216-W411 PolarHBondContact O-NE1 3.35Å; K217-W411 HydrophobicContact CG-CZ2 4.44Å; P218-W411 VanDerWaalsContact CD-CZ2 3.41Å; P218-W411 HydrophobicContact CG-CD2 4.49Å; P218-W411 HydrophobicContact CG-CE3 4.02Å; P218-W411 HydrophobicContact CG-CH2 4.01Å; P218-W411 HydrophobicContact CG-CZ2 4.5Å; P218-W411 HydrophobicContact CG-CZ3 3.75Å; L353-W411 HydrophobicContact CB-CE3 3.91Å; L353-W411 HydrophobicContact CB-CZ3 4.36Å; P355-W411 HydrophobicContact CB-CE3 4.39Å; P355-W411 HydrophobicContact CB-CH2 3.82Å; P355-W411 HydrophobicContact CB-CZ2 3.98Å; P355-W411 HydrophobicContact CB-CZ3 4.04Å; Y395-W411 HydrophobicContact CD2-CH2 4Å; Y395-W411 AromaticContact CD2-CZ3 3.61Å; Y395-W411 HydrophobicContact CD2-CZ3 3.61Å; Y395-W411 AromaticContact CE2-CH2 3.83Å; Y395-W411 HydrophobicContact CE2-CH2 3.83Å; Y395-W411 AromaticContact CE2-CZ3 3.88Å; Y395-W411 HydrophobicContact CE2-CZ3 3.88Å; Y395-W411 HydrophobicContact CG-CZ3 4.33Å; I407-W411 HydrophobicContact CG2-CB 4.15Å; P408-W411 HydrophobicContact CB-CG 4.49Å; P408-W411 HydrophobicContact CG-CG 4.33Å; P408-W411 WeakPolarHBondContact O-CB 3.23Å; P408-W411 PolarHBondContact O-N 3.33Å; P408-W411 VanDerWaalsContact O-N 3.17Å; R409-W411 PolarHBondContact O-N 3.31Å; W411-H413 PolarHBondContact O-ND1 3.1Å | ||
| 412 | W | 98.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.4 | 170.9 | -64.5 | 87.8 | 0 | 0 | 0 | 108.4 | L333 H334 T335 L353 C354 S359 V362 P364 N372 G410 | L333-W412 HydrophobicContact CD1-CB 3.83Å; L333-W412 HydrophobicContact CG-CB 4.18Å; L333-W412 HydrophobicContact CG-CE3 4.18Å; H334-W412 CarbonylContact O-C 3.56Å; H334-W412 VanDerWaalsContact O-CA 3.26Å; H334-W412 WeakPolarHBondContact O-CA 3.42Å; T335-W412 HydrophobicContact CG2-CB 4.37Å; T335-W412 HydrophobicContact CG2-CD2 3.39Å; T335-W412 VanDerWaalsContact CG2-CE2 3.48Å; T335-W412 HydrophobicContact CG2-CE3 3.75Å; T335-W412 HydrophobicContact CG2-CG 3.7Å; T335-W412 HydrophobicContact CG2-CH2 4.21Å; T335-W412 HydrophobicContact CG2-CZ2 3.91Å; T335-W412 HydrophobicContact CG2-CZ3 4.15Å; L353-W412 CarbonylContact C-O 3.4Å; L353-W412 WeakPolarHBondContact CA-O 3.01Å; L353-W412 WeakPolarHBondContact CB-O 3.47Å; C354-W412 HydrophobicContact CB-CB 3.99Å; C354-W412 PolarHBondContact N-O 2.9Å; C354-W412 PolarHBondContact O-N 3.2Å; S359-W412 PolarHBondContact OG-NE1 3.24Å; V362-W412 HydrophobicContact CG2-CD2 3.55Å; V362-W412 HydrophobicContact CG2-CE3 4.1Å; V362-W412 HydrophobicContact CG2-CG 3.8Å; V362-W412 HydrophobicContact CG2-CZ2 4.09Å; P364-W412 HydrophobicContact CB-CH2 3.71Å; P364-W412 HydrophobicContact CB-CZ2 4.16Å; P364-W412 HydrophobicContact CG-CH2 3.65Å; P364-W412 HydrophobicContact CG-CZ2 3.61Å; N372-W412 WeakPolarHBondContact O-CZ3 3.3Å; G410-W412 PolarHBondContact O-N 2.96Å |
| 413 | H | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.4 | 178.4 | 54.5 | -87.4 | 0 | 0 | 0 | 111.9 | L333 H334 D336 C352 L353 W411 | L333-H413 WeakPolarHBondContact CA-O 3.39Å; H334-H413 AromaticContact CD2-NE2 3.77Å; H334-H413 AromaticContact CE1-CD2 3.57Å; H334-H413 AromaticContact CE1-NE2 3.36Å; H334-H413 PolarHBondContact CE1-NE2 3.45Å; H334-H413 PolarHBondContact N-O 2.87Å; H334-H413 PolarHBondContact ND1-O 2.87Å; H334-H413 AromaticContact NE2-CD2 3.9Å; H334-H413 AromaticContact NE2-CE1 3.98Å; H334-H413 AromaticContact NE2-NE2 3.19Å; H334-H413 PolarHBondContact NE2-NE2 2.89Å; H334-H413 VanDerWaalsContact NE2-NE2 3.19Å; H334-H413 PolarHBondContact O-N 3.19Å; H334-H413 PolarHBondContact O-ND1 2.94Å; D336-H413 IonicContact OD1-CE1 2.62Å; D336-H413 IonicContact OD2-CE1 3.61Å; D336-H413 IonicContact OD2-NE2 2.73Å; C352-H413 CarbonylContact O-C 3.56Å; C352-H413 VanDerWaalsContact O-CA 3.29Å; C352-H413 WeakPolarHBondContact O-CA 3.29Å; L353-H413 HydrophobicContact CD2-CB 3.94Å; L353-H413 HydrophobicContact CG-CB 3.99Å; W411-H413 PolarHBondContact O-ND1 3.1Å |
| 414 | Y | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.5 | 176.9 | 165.1 | -84.4 | 0 | 0 | 0 | 108 | F185 V330 S331 Y350 I351 C352 M378 K416 | F185-Y414 HydrophobicContact CD1-CE1 4.25Å; F185-Y414 HydrophobicContact CE1-CE1 4.18Å; V330-Y414 HydrophobicContact CG1-CD2 4.26Å; V330-Y414 HydrophobicContact CG1-CE2 3.45Å; V330-Y414 VanDerWaalsContact CG1-CE2 3.45Å; S331-Y414 WeakPolarHBondContact O-CD2 2.85Å; Y350-Y414 HydrophobicContact CD1-CD1 4.32Å; Y350-Y414 HydrophobicContact CD1-CE1 4.15Å; Y350-Y414 HydrophobicContact CE1-CD1 4.16Å; Y350-Y414 HydrophobicContact CE1-CE1 4.23Å; I351-Y414 VanDerWaalsContact CA-O 3.28Å; I351-Y414 WeakPolarHBondContact CA-O 3.42Å; C352-Y414 PolarHBondContact N-O 3.44Å; C352-Y414 PolarHBondContact O-N 3.36Å; M378-Y414 HydrophobicContact CB-CD1 3.97Å; M378-Y414 HydrophobicContact CB-CD2 3.93Å; M378-Y414 HydrophobicContact CB-CE1 4.38Å; M378-Y414 HydrophobicContact CB-CE2 4.3Å; M378-Y414 HydrophobicContact CB-CG 3.75Å; M378-Y414 HydrophobicContact CG-CD2 4.33Å; M378-Y414 HydrophobicContact CG-CG 4.15Å; Y414-K416 HydrophobicContact CE1-CB 3.89Å |
| 415 | L | 96.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.9 | 179 | -61.8 | 85.7 | 0 | 0 | 0 | 110.4 | V330 S331 F342 K349 Y350 I351 | V330-L415 WeakPolarHBondContact CA-O 3.31Å; S331-L415 PolarHBondContact N-O 3.42Å; S331-L415 PolarHBondContact O-N 2.93Å; F342-L415 HydrophobicContact CD2-CD2 4.23Å; F342-L415 HydrophobicContact CE1-CD2 4.08Å; F342-L415 HydrophobicContact CE2-CD2 3.57Å; F342-L415 HydrophobicContact CZ-CD2 3.47Å; F342-L415 VanDerWaalsContact CZ-CD2 3.47Å; K349-L415 HydrophobicContact CD-CD2 4.37Å; Y350-L415 WeakPolarHBondContact O-CA 3.39Å; I351-L415 HydrophobicContact CB-CG 4.45Å; I351-L415 HydrophobicContact CD1-CD2 3.6Å; I351-L415 HydrophobicContact CD1-CG 4Å; I351-L415 HydrophobicContact CG1-CB 4.44Å; I351-L415 HydrophobicContact CG1-CD2 3.93Å; I351-L415 HydrophobicContact CG1-CG 3.82Å; I351-L415 HydrophobicContact CG2-CG 4.13Å |
| 416 | K | 93.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 13 Ų | 13 | 19% | 0.191 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.3 | 166.8 | -173.8 | 167.6 | 176.8 | -174.7 | 0 | 111.3 | F185 T329 V330 K349 Y350 Y414 M418 | F185-K416 HydrophobicContact CE1-CB 4.15Å; F185-K416 HydrophobicContact CE1-CD 3.63Å; F185-K416 HydrophobicContact CE1-CG 4.45Å; F185-K416 HydrophobicContact CZ-CB 4.25Å; F185-K416 HydrophobicContact CZ-CD 3.74Å; F185-K416 HydrophobicContact CZ-CG 4.38Å; T329-K416 WeakPolarHBondContact O-CA 3.23Å; V330-K416 HydrophobicContact CG2-CB 4.19Å; V330-K416 HydrophobicContact CG2-CD 3.94Å; V330-K416 HydrophobicContact CG2-CG 3.83Å; K349-K416 CarbonylContact C-O 3.6Å; K349-K416 WeakPolarHBondContact CA-O 3.46Å; Y350-K416 PolarHBondContact N-O 2.64Å; Y350-K416 PolarHBondContact O-N 3.18Å; Y414-K416 HydrophobicContact CE1-CB 3.89Å; K416-M418 HydrophobicContact CG-SD 4.45Å; K416-M418 PolarHBondContact O-N 2.96Å |
| 417 | S | 91.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 116.6 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | G328 T329 K349 T419 | G328-S417 PolarHBondContact N-O 3.04Å; T329-S417 PolarHBondContact O-N 3.38Å; T329-S417 VanDerWaalsContact OG1-CB 3.26Å; T329-S417 WeakPolarHBondContact OG1-CB 3.46Å; T329-S417 PolarHBondContact OG1-OG 3.11Å; K349-S417 WeakPolarHBondContact CE-OG 3.2Å; S417-T419 WeakPolarHBondContact CB-O 3.47Å |
| 418 | M | 86.7 | Confident | 95.3 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 4% | 0.044 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -85.1 | -22.5 | 178.5 | -54.6 | -55.5 | -59.6 | 0 | 0 | 111.3 | I152 I154 F185 K327 V348 K416 | I152-M418 HydrophobicContact CD1-CB 3.77Å; I152-M418 WeakPolarHBondContact CD1-O 3.44Å; I152-M418 HydrophobicContact CG2-CB 4.38Å; I152-M418 HydrophobicContact CG2-CE 3.92Å; I154-M418 HydrophobicContact CD1-CB 4.43Å; I154-M418 HydrophobicContact CD1-CE 4Å; I154-M418 HydrophobicContact CD1-CG 3.69Å; I154-M418 HydrophobicContact CD1-SD 4.29Å; I154-M418 HydrophobicContact CG1-CE 4.14Å; F185-M418 HydrophobicContact CE2-CE 4.08Å; F185-M418 HydrophobicContact CE2-SD 3.98Å; F185-M418 HydrophobicContact CZ-CE 4.27Å; F185-M418 HydrophobicContact CZ-SD 3.81Å; K327-M418 VanDerWaalsContact CD-O 3.25Å; K327-M418 WeakPolarHBondContact CD-O 3.31Å; K327-M418 WeakPolarHBondContact CE-O 3.42Å; K327-M418 VanDerWaalsContact CG-O 3.27Å; K327-M418 WeakPolarHBondContact CG-O 3.28Å; V348-M418 HydrophobicContact CG1-CB 4.47Å; V348-M418 WeakPolarHBondContact O-CB 3.27Å; V348-M418 PolarHBondContact O-N 3.48Å; K416-M418 HydrophobicContact CG-SD 4.45Å; K416-M418 PolarHBondContact O-N 2.96Å |
| 419 | T | 86.6 | Confident | 95 | Very high | 20 Ų | 20 | 15.9 Ų | 15.9 | 12% | 0.123 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -132.4 | 172.1 | 170.1 | 63.9 | 0 | 0 | 0 | 0 | 109.9 | I152 I165 G347 V348 S417 S421 | I152-T419 HydrophobicContact CD1-CG2 3.58Å; I165-T419 HydrophobicContact CD1-CG2 3.21Å; I165-T419 HydrophobicContact CG1-CG2 4.34Å; G347-T419 WeakPolarHBondContact CA-OG1 3.43Å; V348-T419 PolarHBondContact N-OG1 3.46Å; V348-T419 PolarHBondContact O-N 2.85Å; S417-T419 WeakPolarHBondContact CB-O 3.47Å; T419-S421 PolarHBondContact O-N 2.8Å; T419-S421 PolarHBondContact O-OG 3.26Å; T419-S421 PolarHBondContact OG1-OG 3.3Å |
| 420 | T | 89.9 | Confident | 94.6 | Very high | 43 Ų | 43 | 13.4 Ų | 13.4 | 26% | 0.264 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -47.4 | 127.6 | 156.2 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | L236 F276 G325 G347 | L236-T420 HydrophobicContact CD2-CG2 4.15Å; F276-T420 HydrophobicContact CD1-CG2 3.81Å; F276-T420 HydrophobicContact CE1-CG2 3.57Å; G325-T420 WeakPolarHBondContact O-CA 3.28Å; G347-T420 VanDerWaalsContact CA-O 3.3Å; G347-T420 WeakPolarHBondContact CA-O 3.24Å |
| 421 | S | 92.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 148.6 | -167.4 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | F324 G325 M346 V348 T419 | F324-S421 WeakPolarHBondContact CA-O 3.49Å; F324-S421 WeakPolarHBondContact CD2-O 3.43Å; G325-S421 PolarHBondContact N-O 3Å; G325-S421 VanDerWaalsContact N-O 3.12Å; G325-S421 PolarHBondContact O-N 2.83Å; M346-S421 CarbonylContact O-C 3.59Å; M346-S421 WeakPolarHBondContact O-CA 3.19Å; M346-S421 WeakPolarHBondContact O-CB 3.46Å; V348-S421 PolarHBondContact N-OG 2.86Å; T419-S421 PolarHBondContact O-N 2.8Å; T419-S421 PolarHBondContact O-OG 3.26Å; T419-S421 PolarHBondContact OG1-OG 3.3Å |
| 422 | F | 97.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.9 | 168.4 | -162.5 | -62.8 | 0 | 0 | 0 | 108.2 | W234 F239 L292 F293 A322 W323 F324 V345 M346 V424 | W234-F422 AromaticContact CE3-CD1 3.89Å; W234-F422 HydrophobicContact CE3-CD1 3.89Å; W234-F422 HydrophobicContact CE3-CD2 4.47Å; W234-F422 HydrophobicContact CE3-CE1 4.17Å; W234-F422 HydrophobicContact CE3-CG 4.08Å; W234-F422 HydrophobicContact CH2-CD1 4.37Å; W234-F422 AromaticContact CH2-CE1 3.9Å; W234-F422 HydrophobicContact CH2-CE1 3.9Å; W234-F422 HydrophobicContact CH2-CZ 4.26Å; W234-F422 AromaticContact CZ3-CD1 3.38Å; W234-F422 HydrophobicContact CZ3-CD1 3.38Å; W234-F422 AromaticContact CZ3-CE1 3.34Å; W234-F422 HydrophobicContact CZ3-CE1 3.34Å; W234-F422 HydrophobicContact CZ3-CE2 4.47Å; W234-F422 HydrophobicContact CZ3-CG 4.03Å; W234-F422 AromaticContact CZ3-CZ 3.92Å; W234-F422 HydrophobicContact CZ3-CZ 3.92Å; F239-F422 HydrophobicContact CE1-CD2 4.1Å; F239-F422 HydrophobicContact CE1-CE2 4.08Å; F239-F422 AromaticContact CE2-CD2 3.68Å; F239-F422 HydrophobicContact CE2-CD2 3.68Å; F239-F422 HydrophobicContact CE2-CE2 4.38Å; F239-F422 HydrophobicContact CE2-CG 4.43Å; F239-F422 HydrophobicContact CZ-CB 4.39Å; F239-F422 AromaticContact CZ-CD2 3.37Å; F239-F422 HydrophobicContact CZ-CD2 3.37Å; F239-F422 AromaticContact CZ-CE2 3.82Å; F239-F422 HydrophobicContact CZ-CE2 3.82Å; F239-F422 HydrophobicContact CZ-CG 4.01Å; L292-F422 HydrophobicContact CD2-CE2 4.12Å; L292-F422 HydrophobicContact CD2-CZ 4.01Å; F293-F422 HydrophobicContact CZ-CE1 4.04Å; F293-F422 HydrophobicContact CZ-CZ 4.28Å; A322-F422 HydrophobicContact CB-CE1 4Å; A322-F422 HydrophobicContact CB-CZ 3.77Å; W323-F422 CarbonylContact O-C 3.32Å; W323-F422 VanDerWaalsContact O-CA 3.31Å; W323-F422 WeakPolarHBondContact O-CA 3.38Å; F324-F422 HydrophobicContact CB-CD2 3.62Å; F324-F422 HydrophobicContact CB-CE2 3.83Å; F324-F422 HydrophobicContact CB-CG 4.3Å; F324-F422 HydrophobicContact CD2-CB 4.13Å; F324-F422 AromaticContact CD2-CD2 3.52Å; F324-F422 HydrophobicContact CD2-CD2 3.52Å; F324-F422 HydrophobicContact CD2-CE2 4.37Å; F324-F422 HydrophobicContact CD2-CG 4.22Å; F324-F422 HydrophobicContact CE2-CD2 4.36Å; F324-F422 AromaticContact CG-CD2 3.66Å; F324-F422 HydrophobicContact CG-CD2 3.66Å; F324-F422 HydrophobicContact CG-CE2 4.07Å; V345-F422 WeakPolarHBondContact CA-O 3.47Å; V345-F422 PolarHBondContact N-O 3.19Å; M346-F422 HydrophobicContact CB-CB 3.9Å; M346-F422 HydrophobicContact CG-CB 4.34Å; M346-F422 PolarHBondContact N-O 2.91Å; M346-F422 PolarHBondContact O-N 3.47Å; M346-F422 HydrophobicContact SD-CB 4.4Å; F422-V424 HydrophobicContact CD1-CG2 4.4Å; F422-V424 HydrophobicContact CE1-CG2 4.02Å |
| 423 | S | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 160.3 | 177.9 | -36.3 | 0 | 0 | 0 | 0 | 110.9 | W323 F342 A343 Q344 K349 | W323-S423 PolarHBondContact N-O 3.19Å; W323-S423 PolarHBondContact O-N 3.04Å; F342-S423 VanDerWaalsContact CZ-OG 3.27Å; F342-S423 WeakPolarHBondContact CZ-OG 3.13Å; A343-S423 CarbonylContact O-C 3.47Å; A343-S423 VanDerWaalsContact O-CA 3.23Å; A343-S423 WeakPolarHBondContact O-CA 3.46Å; A343-S423 WeakPolarHBondContact O-CB 3.5Å; Q344-S423 PolarHBondContact OE1-OG 3.36Å; K349-S423 WeakPolarHBondContact CD-OG 3.44Å; K349-S423 VanDerWaalsContact CE-OG 3.27Å; K349-S423 WeakPolarHBondContact CE-OG 3.41Å; K349-S423 PolarHBondContact NZ-OG 2.96Å |
| 424 | V | 98.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.7 | 178.4 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | F293 I303 V320 N321 A343 V345 F422 F426 | F293-V424 HydrophobicContact CE2-CG1 3.75Å; F293-V424 HydrophobicContact CE2-CG2 4.07Å; F293-V424 HydrophobicContact CZ-CB 4.5Å; F293-V424 HydrophobicContact CZ-CG1 4.08Å; F293-V424 HydrophobicContact CZ-CG2 3.61Å; I303-V424 HydrophobicContact CD1-CG1 4.16Å; I303-V424 HydrophobicContact CD1-CG2 4.4Å; V320-V424 HydrophobicContact CG1-CG1 3.5Å; N321-V424 CarbonylContact O-C 3.6Å; N321-V424 WeakPolarHBondContact O-CA 3.45Å; A343-V424 HydrophobicContact CB-CB 4.33Å; A343-V424 PolarHBondContact N-O 3.13Å; A343-V424 PolarHBondContact O-N 2.68Å; V345-V424 HydrophobicContact CG2-CG2 3.96Å; F422-V424 HydrophobicContact CD1-CG2 4.4Å; F422-V424 HydrophobicContact CE1-CG2 4.02Å; V424-F426 HydrophobicContact CB-CE2 3.94Å; V424-F426 HydrophobicContact CB-CZ 4.25Å; V424-F426 HydrophobicContact CG1-CD2 4.21Å; V424-F426 HydrophobicContact CG1-CE1 4.16Å; V424-F426 HydrophobicContact CG1-CE2 3.57Å; V424-F426 HydrophobicContact CG1-CZ 3.55Å |
| 425 | S | 98.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.4 | 167.9 | -68.4 | 0 | 0 | 0 | 0 | 109.2 | V320 N321 W323 N340 | V320-S425 WeakPolarHBondContact CA-O 3.38Å; N321-S425 PolarHBondContact N-O 2.84Å; N321-S425 PolarHBondContact O-N 3.03Å; W323-S425 PolarHBondContact NE1-OG 3.06Å; N340-S425 PolarHBondContact ND2-OG 2.76Å; N340-S425 WeakPolarHBondContact OD1-CB 3.23Å |
| 426 | F | 98.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 99.6 | 168.3 | -61.3 | -90.8 | 0 | 0 | 0 | 107.3 | W228 I303 V305 P306 V318 V320 N340 L341 A343 V424 F428 | W228-F426 AromaticContact CH2-CE2 3.66Å; W228-F426 HydrophobicContact CH2-CE2 3.66Å; W228-F426 AromaticContact CH2-CZ 3.55Å; W228-F426 HydrophobicContact CH2-CZ 3.55Å; W228-F426 HydrophobicContact CZ2-CE2 4.16Å; W228-F426 AromaticContact CZ2-CZ 3.85Å; W228-F426 HydrophobicContact CZ2-CZ 3.85Å; I303-F426 HydrophobicContact CD1-CZ 4.28Å; V305-F426 HydrophobicContact CB-CD1 4.49Å; V305-F426 HydrophobicContact CB-CE1 4.48Å; V305-F426 HydrophobicContact CG1-CD1 4.37Å; V305-F426 HydrophobicContact CG2-CD1 4.26Å; V305-F426 HydrophobicContact CG2-CE1 4.21Å; P306-F426 HydrophobicContact CG-CD2 3.91Å; P306-F426 HydrophobicContact CG-CE2 3.98Å; P306-F426 HydrophobicContact CG-CG 4.27Å; P306-F426 HydrophobicContact CG-CZ 4.36Å; V318-F426 HydrophobicContact CG1-CB 3.77Å; V318-F426 HydrophobicContact CG1-CD1 4.07Å; V318-F426 HydrophobicContact CG1-CG 4.43Å; V320-F426 HydrophobicContact CB-CD1 4.49Å; V320-F426 HydrophobicContact CG1-CD1 4.06Å; V320-F426 HydrophobicContact CG1-CE1 3.72Å; V320-F426 HydrophobicContact CG1-CZ 4.3Å; V320-F426 HydrophobicContact CG2-CD1 3.82Å; V320-F426 HydrophobicContact CG2-CE1 3.99Å; N340-F426 WeakPolarHBondContact CA-O 3.46Å; N340-F426 PolarHBondContact OD1-N 2.99Å; N340-F426 PolarHBondContact OD1-O 2.86Å; L341-F426 HydrophobicContact CB-CB 4.27Å; L341-F426 PolarHBondContact N-O 3.19Å; L341-F426 VanDerWaalsContact O-CD2 3.31Å; L341-F426 WeakPolarHBondContact O-CD2 3.36Å; L341-F426 PolarHBondContact O-N 2.86Å; A343-F426 HydrophobicContact CB-CE2 3.95Å; V424-F426 HydrophobicContact CB-CE2 3.94Å; V424-F426 HydrophobicContact CB-CZ 4.25Å; V424-F426 HydrophobicContact CG1-CD2 4.21Å; V424-F426 HydrophobicContact CG1-CE1 4.16Å; V424-F426 HydrophobicContact CG1-CE2 3.57Å; V424-F426 HydrophobicContact CG1-CZ 3.55Å; F426-F428 WeakPolarHBondContact O-CD1 3.36Å |
| 427 | W | 97.4 | Very high | 81 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 8% | 0.076 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122 | 175.7 | -69.8 | -52.1 | 0 | 0 | 0 | 109.5 | Q289 D319 N321 W323 D336 T338 D339 N340 | Q289-W427 HydrophobicContact CB-CH2 4.42Å; Q289-W427 HydrophobicContact CG-CH2 3.71Å; Q289-W427 HydrophobicContact CG-CZ3 4.08Å; D319-W427 HydrophobicContact CB-CB 4.16Å; D319-W427 HydrophobicContact CB-CE3 4.2Å; D319-W427 PolarHBondContact N-O 3.27Å; D319-W427 PolarHBondContact O-N 3.39Å; N321-W427 HydrophobicContact CB-CE3 4.36Å; N321-W427 HydrophobicContact CB-CH2 4Å; N321-W427 HydrophobicContact CB-CZ3 3.72Å; N321-W427 WeakPolarHBondContact ND2-CZ3 3.38Å; W323-W427 HydrophobicContact CZ2-CH2 4.12Å; W323-W427 HydrophobicContact CZ2-CZ2 4.1Å; D336-W427 PolarHBondContact OD2-NE1 3.1Å; T338-W427 WeakPolarHBondContact OG1-CB 3.35Å; D339-W427 WeakPolarHBondContact O-CA 3.3Å; N340-W427 PolarHBondContact ND2-NE1 2.68Å |
| 428 | F | 96.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.2 | -172.9 | 69.9 | -75.2 | 0 | 0 | 0 | 110.5 | L211 C309 V312 S313 V318 D339 L341 F406 F426 | L211-F428 HydrophobicContact CD1-CE2 3.9Å; L211-F428 HydrophobicContact CD1-CZ 4.19Å; C309-F428 HydrophobicContact CB-CB 4.11Å; C309-F428 HydrophobicContact CB-CD2 4.27Å; C309-F428 HydrophobicContact CB-CG 4.1Å; V312-F428 HydrophobicContact CG2-CD2 3.57Å; V312-F428 HydrophobicContact CG2-CE2 3.92Å; S313-F428 WeakPolarHBondContact OG-CB 3.46Å; V318-F428 HydrophobicContact CG1-CB 4.38Å; V318-F428 HydrophobicContact CG2-CB 4.07Å; D339-F428 HydrophobicContact CB-CD1 4.08Å; D339-F428 HydrophobicContact CB-CD2 4.42Å; D339-F428 HydrophobicContact CB-CE1 3.6Å; D339-F428 HydrophobicContact CB-CE2 4.01Å; D339-F428 HydrophobicContact CB-CG 4.46Å; D339-F428 HydrophobicContact CB-CZ 3.58Å; D339-F428 PolarHBondContact N-O 2.59Å; D339-F428 VanDerWaalsContact O-CD1 3.24Å; D339-F428 WeakPolarHBondContact O-CD1 3.26Å; D339-F428 PolarHBondContact O-N 3.42Å; L341-F428 HydrophobicContact CB-CE1 4.46Å; L341-F428 HydrophobicContact CD1-CE1 4.2Å; L341-F428 HydrophobicContact CD1-CZ 4.47Å; L341-F428 HydrophobicContact CG-CD1 4.49Å; L341-F428 HydrophobicContact CG-CE1 3.73Å; L341-F428 HydrophobicContact CG-CZ 4.23Å; F406-F428 HydrophobicContact CD2-CZ 4.25Å; F406-F428 HydrophobicContact CE2-CE1 4.33Å; F406-F428 AromaticContact CE2-CZ 3.83Å; F406-F428 HydrophobicContact CE2-CZ 3.83Å; F426-F428 WeakPolarHBondContact O-CD1 3.36Å |
| 429 | R | 91.9 | Very high | 80.2 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | trans | -153.5 | 153.9 | -173 | 53.5 | -179.1 | 158.5 | 83.5 | 11 | 111.1 | S313 T338 S431 E433 S435 | S313-R429 PolarHBondContact OG-N 3.33Å; S313-R429 PolarHBondContact OG-O 3.07Å; T338-R429 HydrophobicContact CG2-CB 3.99Å; T338-R429 HydrophobicContact CG2-CG 4.21Å; R429-S431 PolarHBondContact O-N 3.34Å; R429-E433 PolarHBondContact NH1-O 3.27Å; R429-S435 VanDerWaalsContact NH1-N 3.18Å | ||
| 430 | P | 86.1 | Confident | 79.8 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | trans | -51.3 | 135.7 | 174 | -25.9 | 34.8 | 0 | 0 | 0 | 111.8 | V312 N432 E433 | V312-P430 HydrophobicContact CB-CG 4.42Å; V312-P430 VanDerWaalsContact O-CA 3.3Å; V312-P430 WeakPolarHBondContact O-CA 3.34Å; P430-N432 PolarHBondContact O-N 2.91Å; P430-E433 HydrophobicContact CB-CG 4.46Å; P430-E433 PolarHBondContact O-N 2.9Å | ||
| 431 | S | 75 | Confident | 79.2 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.1 | -177.9 | -49.6 | 0 | 0 | 0 | 0 | 115 | V312 R429 | V312-S431 PolarHBondContact O-N 3.17Å; V312-S431 PolarHBondContact O-OG 3.27Å; R429-S431 PolarHBondContact O-N 3.34Å |
| 432 | N | 71 | Confident | 78.4 | Confident | 157 Ų | 157 | 53.4 Ų | 53.4 | 84% | 0.84 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -15.2 | 179.7 | -60.4 | -9.7 | 0 | 0 | 0 | 113.3 | P430 V434 | P430-N432 PolarHBondContact O-N 2.91Å; N432-V434 PolarHBondContact O-N 3.13Å |
| 433 | E | 65.5 | Low | 77.2 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -86.6 | 97.9 | 173 | -69.7 | -175.7 | 174.2 | 0 | 0 | 107.6 | R409 R429 P430 | R409-E433 IonicContact CZ-OE1 2.71Å; R409-E433 VanDerWaalsContact NH1-CD 3.34Å; R409-E433 IonicContact NH1-OE1 2.93Å; R409-E433 PolarHBondContact NH1-OE1 3.05Å; R409-E433 IonicContact NH1-OE2 3.99Å; R409-E433 PolarHBondContact NH1-OE2 3.16Å; R409-E433 IonicContact NH2-OE1 3.66Å; R429-E433 PolarHBondContact NH1-O 3.27Å; P430-E433 HydrophobicContact CB-CG 4.46Å; P430-E433 PolarHBondContact O-N 2.9Å |
| 434 | V | 52.9 | Low | 75.7 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | trans | -64 | 142.1 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | N432 A436 | N432-V434 PolarHBondContact O-N 3.13Å; V434-A436 PolarHBondContact O-N 2.71Å; V434-A436 VanDerWaalsContact O-N 3.12Å | ||
| 435 | S | 52 | Low | 73.9 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | trans | -51.5 | 119.1 | 174 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | R429 T437 | R429-S435 VanDerWaalsContact NH1-N 3.18Å; S435-T437 PolarHBondContact O-N 2.93Å | ||
| 436 | A | 39.9 | Very low | 71.9 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 92% | 0.917 | 43% | 0.432 | S | S | * | . | trans | -70 | 82.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | V434 | V434-A436 PolarHBondContact O-N 2.71Å; V434-A436 VanDerWaalsContact O-N 3.12Å | ||
| 437 | T | 36.2 | Very low | 69.5 | Low | 147 Ų | 147 | 77.3 Ų | 77.3 | 90% | 0.902 | 47% | 0.471 | S | S | * | . | trans | -75.7 | 0 | 168.3 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | S70 S435 | S70-T437 WeakPolarHBondContact CB-OXT 3.27Å; S70-T437 PolarHBondContact OG-OXT 3.19Å; S435-T437 PolarHBondContact O-N 2.93Å |
Retrieved 437 of 437 residues in 1040.4 ms
(Link to these results)