| 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 | 87 | Confident | 92.6 | Very high | 34 Ų | 34 | 40 Ų | 40 | 17% | 0.167 | 19% | 0.187 | C | C | . | . | 0 | -47.7 | 0 | -63.4 | -167.7 | -168.2 | 0 | 0 | 114 | K3 L4 K127 I129 F431 Y718 D719 H722 Y723 | M1-K3 PolarHBondContact O-N 2.88Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 WeakPolarHBondContact O-CG 3.44Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-K127 HydrophobicContact CE-CD 4.23Å; M1-K127 HydrophobicContact SD-CB 4.47Å; M1-K127 HydrophobicContact SD-CD 4.3Å; M1-I129 HydrophobicContact CB-CG2 3.9Å; M1-F431 HydrophobicContact CE-CE1 4.26Å; M1-F431 HydrophobicContact CE-CZ 4.27Å; M1-F431 HydrophobicContact CG-CZ 4.09Å; M1-F431 HydrophobicContact SD-CE1 3.92Å; M1-F431 HydrophobicContact SD-CE2 3.93Å; M1-F431 HydrophobicContact SD-CZ 3.35Å; M1-F431 WeakPolarHBondContact SD-CZ 3.44Å; M1-Y718 WeakPolarHBondContact CE-O 3.44Å; M1-Y718 HydrophobicContact CG-CD1 4.5Å; M1-Y718 WeakPolarHBondContact CG-O 3.3Å; M1-D719 WeakPolarHBondContact CE-O 3.27Å; M1-H722 HydrophobicContact CE-CB 4.06Å; M1-Y723 HydrophobicContact CE-CD2 3.91Å; M1-Y723 HydrophobicContact CE-CE2 4Å; M1-Y723 HydrophobicContact SD-CD2 4.29Å; M1-Y723 HydrophobicContact SD-CE2 3.92Å | |||
| 2 | E | 86.5 | Confident | 92.9 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 51% | 0.505 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -50.9 | -34.4 | -176.3 | -65.4 | 169.7 | -143.4 | 0 | 0 | 115.4 | L4 S5 R6 R116 | E2-L4 PolarHBondContact O-N 2.79Å; E2-S5 PolarHBondContact O-N 3.25Å; E2-S5 PolarHBondContact O-OG 2.88Å; E2-R6 PolarHBondContact O-N 2.93Å; E2-R116 IonicContact OE1-CZ 2.75Å; E2-R116 IonicContact OE1-NE 2.75Å; E2-R116 PolarHBondContact OE1-NE 3.42Å; E2-R116 IonicContact OE1-NH1 3.37Å; E2-R116 PolarHBondContact OE1-NH1 3.22Å; E2-R116 VanDerWaalsContact OE1-NH1 3.14Å; E2-R116 IonicContact OE1-NH2 2.76Å; E2-R116 PolarHBondContact OE1-NH2 3.19Å; E2-R116 IonicContact OE2-NH2 3.07Å |
| 3 | K | 88.8 | Confident | 93 | Very high | 118 Ų | 118 | 36.6 Ų | 36.6 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -55.9 | -24.6 | 176.2 | -67.9 | -172.2 | 177.6 | -176.5 | 0 | 113.5 | M1 | M1-K3 PolarHBondContact O-N 2.88Š|
| 4 | L | 92.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -68 | -36.1 | -178.9 | -61.6 | 172.8 | 0 | 0 | 0 | 112.9 | M1 E2 A435 F438 R439 F657 Y718 | M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 WeakPolarHBondContact O-CG 3.44Å; M1-L4 PolarHBondContact O-N 3.41Å; E2-L4 PolarHBondContact O-N 2.79Å; L4-A435 HydrophobicContact CD1-CB 4.02Å; L4-F438 WeakPolarHBondContact O-CB 3.48Å; L4-R439 HydrophobicContact CD2-CG 4.19Å; L4-R439 VanDerWaalsContact O-CD 3.25Å; L4-R439 WeakPolarHBondContact O-CD 3.42Å; L4-F657 HydrophobicContact CD1-CD1 3.95Å; L4-F657 HydrophobicContact CD1-CD2 4.33Å; L4-F657 HydrophobicContact CD1-CE1 3.96Å; L4-F657 HydrophobicContact CD1-CE2 4.36Å; L4-F657 HydrophobicContact CD1-CG 4.14Å; L4-F657 HydrophobicContact CD1-CZ 4.18Å; L4-F657 HydrophobicContact CD2-CB 3.78Å; L4-F657 HydrophobicContact CD2-CD1 4.24Å; L4-F657 HydrophobicContact CD2-CD2 4.24Å; L4-F657 HydrophobicContact CD2-CG 3.82Å; L4-Y718 HydrophobicContact CD1-CD1 3.93Å; L4-Y718 HydrophobicContact CD1-CE1 3.94Å; L4-Y718 HydrophobicContact CD2-CD1 4.38Å; L4-Y718 HydrophobicContact CD2-CE1 3.68Å; L4-Y718 HydrophobicContact CG-CD1 4.09Å; L4-Y718 HydrophobicContact CG-CE1 3.58Å |
| 5 | S | 94 | Very high | 93.2 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -5.7 | -180 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | E2 V7 H8 T9 I129 G130 | E2-S5 PolarHBondContact O-N 3.25Å; E2-S5 PolarHBondContact O-OG 2.88Å; S5-V7 VanDerWaalsContact C-N 3.28Å; S5-V7 PolarHBondContact O-N 2.97Å; S5-H8 WeakPolarHBondContact O-CA 3.37Å; S5-H8 WeakPolarHBondContact O-CB 3.38Å; S5-H8 PolarHBondContact O-N 2.86Å; S5-T9 PolarHBondContact O-N 2.82Å; S5-T9 VanDerWaalsContact O-N 3.12Å; S5-I129 PolarHBondContact OG-O 3.44Å; S5-G130 WeakPolarHBondContact CB-O 3.47Å |
| 6 | R | 93.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 32.9 Ų | 32.9 | 52% | 0.517 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.3 | -38.4 | -173.6 | -170.6 | -177 | -174.8 | -166.7 | 2.8 | 114.3 | E2 H8 T9 G10 E488 | E2-R6 PolarHBondContact O-N 2.93Å; R6-H8 PolarHBondContact O-N 2.73Å; R6-T9 WeakPolarHBondContact CA-OG1 3.45Å; R6-T9 PolarHBondContact O-N 2.79Å; R6-T9 PolarHBondContact O-OG1 3.46Å; R6-G10 WeakPolarHBondContact O-CA 3.39Å; R6-G10 PolarHBondContact O-N 3.23Å; R6-E488 WeakPolarHBondContact CD-OE1 3.47Å; R6-E488 IonicContact NH1-OE1 3.14Å; R6-E488 PolarHBondContact NH1-OE1 2.81Å |
| 7 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -37.8 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S5 S11 L144 L339 A489 | S5-V7 VanDerWaalsContact C-N 3.28Å; S5-V7 PolarHBondContact O-N 2.97Å; V7-S11 WeakPolarHBondContact O-CB 3.43Å; V7-S11 PolarHBondContact O-N 3.49Å; V7-S11 PolarHBondContact O-OG 3Å; V7-L144 HydrophobicContact CG1-CD1 4.28Å; V7-L144 HydrophobicContact CG1-CD2 4.11Å; V7-L339 HydrophobicContact CG1-CD2 3.64Å; V7-A489 HydrophobicContact CG1-CB 3.75Å; V7-A489 HydrophobicContact CG2-CB 4.12Å |
| 8 | H | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.7 | -54.2 | 178.4 | -64.7 | -93.7 | 0 | 0 | 0 | 110.9 | S5 R6 S11 F12 M103 L142 P340 F438 | S5-H8 WeakPolarHBondContact O-CA 3.37Å; S5-H8 WeakPolarHBondContact O-CB 3.38Å; S5-H8 PolarHBondContact O-N 2.86Å; R6-H8 PolarHBondContact O-N 2.73Å; H8-S11 PolarHBondContact O-N 3.07Å; H8-S11 PolarHBondContact O-OG 2.83Å; H8-F12 PolarHBondContact O-N 3.3Å; H8-M103 HydrophobicContact CB-CE 4.09Å; H8-M103 HydrophobicContact CB-SD 3.94Å; H8-M103 VanDerWaalsContact O-SD 3.36Å; H8-L142 PolarHBondContact CE1-O 2.86Å; H8-L142 VanDerWaalsContact CE1-O 3.28Å; H8-P340 HydrophobicContact CB-CG 4.42Å; H8-P340 VanDerWaalsContact ND1-CG 3.31Å; H8-P340 WeakPolarHBondContact ND1-CG 3.41Å; H8-F438 AromaticContact CD2-CD1 3.9Å; H8-F438 PolarHBondContact CD2-O 3.01Å; H8-F438 WeakPolarHBondContact NE2-CA 3.42Å; H8-F438 PolarHBondContact NE2-O 3.39Å |
| 9 | T | 95.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -46 | -177.1 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | S5 R6 S11 F12 D13 M103 M105 | S5-T9 PolarHBondContact O-N 2.82Å; S5-T9 VanDerWaalsContact O-N 3.12Å; R6-T9 WeakPolarHBondContact CA-OG1 3.45Å; R6-T9 PolarHBondContact O-N 2.79Å; R6-T9 PolarHBondContact O-OG1 3.46Å; T9-S11 VanDerWaalsContact C-N 3.31Å; T9-S11 PolarHBondContact O-N 3.26Å; T9-F12 PolarHBondContact O-N 3.18Å; T9-F12 VanDerWaalsContact O-N 3.11Å; T9-D13 PolarHBondContact O-N 3.27Å; T9-M103 HydrophobicContact CG2-SD 4.26Å; T9-M105 HydrophobicContact CG2-CB 4.29Å |
| 10 | G | 94.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R6 F14 | R6-G10 WeakPolarHBondContact O-CA 3.39Å; R6-G10 PolarHBondContact O-N 3.23Å; G10-F14 PolarHBondContact O-N 3.22Å |
| 11 | S | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 173 | 80.9 | 0 | 0 | 0 | 0 | 111.2 | V7 H8 T9 D13 F14 F15 P340 S341 C491 | V7-S11 WeakPolarHBondContact O-CB 3.43Å; V7-S11 PolarHBondContact O-N 3.49Å; V7-S11 PolarHBondContact O-OG 3Å; H8-S11 PolarHBondContact O-N 3.07Å; H8-S11 PolarHBondContact O-OG 2.83Å; T9-S11 VanDerWaalsContact C-N 3.31Å; T9-S11 PolarHBondContact O-N 3.26Å; S11-D13 VanDerWaalsContact C-N 3.34Å; S11-D13 PolarHBondContact O-N 2.93Å; S11-F14 WeakPolarHBondContact O-CB 3.47Å; S11-F14 PolarHBondContact O-N 3.26Å; S11-F15 PolarHBondContact O-N 2.9Å; S11-P340 WeakPolarHBondContact OG-CD 3.48Å; S11-S341 VanDerWaalsContact C-CB 3.4Å; S11-S341 VanDerWaalsContact CB-OG 3.32Å; S11-S341 WeakPolarHBondContact CB-OG 3.48Å; S11-S341 WeakPolarHBondContact O-CB 3.4Å; S11-S341 PolarHBondContact O-OG 3.27Å; S11-S341 VanDerWaalsContact O-OG 3.04Å; S11-C491 PolarHBondContact N-SG 2.66Å |
| 12 | F | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.5 | -32.9 | -179.1 | -165.1 | -91.4 | 0 | 0 | 0 | 112.2 | H8 T9 F14 F15 V16 I102 M103 S106 A108 F133 Y344 | H8-F12 PolarHBondContact O-N 3.3Å; T9-F12 PolarHBondContact O-N 3.18Å; T9-F12 VanDerWaalsContact O-N 3.11Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 3.17Å; F12-F15 HydrophobicContact CD2-CD1 4.18Å; F12-F15 HydrophobicContact CE1-CD1 4.28Å; F12-F15 AromaticContact CE2-CD1 3.82Å; F12-F15 HydrophobicContact CE2-CD1 3.82Å; F12-F15 HydrophobicContact CE2-CE1 4.16Å; F12-F15 AromaticContact CZ-CD1 3.89Å; F12-F15 HydrophobicContact CZ-CD1 3.89Å; F12-F15 HydrophobicContact CZ-CE1 4.05Å; F12-F15 VanDerWaalsContact O-CB 3.29Å; F12-F15 WeakPolarHBondContact O-CB 3.42Å; F12-F15 PolarHBondContact O-N 3.4Å; F12-F15 VanDerWaalsContact O-N 3.11Å; F12-V16 HydrophobicContact CD1-CG2 3.96Å; F12-V16 HydrophobicContact CE1-CG2 3.67Å; F12-V16 HydrophobicContact CZ-CG2 4.4Å; F12-V16 PolarHBondContact O-N 3.21Å; F12-V16 VanDerWaalsContact O-N 3.09Å; F12-I102 HydrophobicContact CE1-CG2 4.41Å; F12-M103 HydrophobicContact CB-CB 4.15Å; F12-M103 HydrophobicContact CB-CE 4.08Å; F12-M103 HydrophobicContact CB-SD 3.75Å; F12-M103 HydrophobicContact CD1-CB 3.83Å; F12-M103 HydrophobicContact CD2-CB 3.95Å; F12-M103 HydrophobicContact CD2-CE 4.29Å; F12-M103 HydrophobicContact CE1-CB 4.17Å; F12-M103 HydrophobicContact CE2-CB 4.3Å; F12-M103 HydrophobicContact CG-CB 3.69Å; F12-M103 HydrophobicContact CG-CE 4.43Å; F12-M103 HydrophobicContact CG-SD 4.31Å; F12-M103 HydrophobicContact CZ-CB 4.39Å; F12-S106 VanDerWaalsContact CD1-CB 3.49Å; F12-S106 WeakPolarHBondContact CD1-OG 2.84Å; F12-A108 HydrophobicContact CE1-CB 4.45Å; F12-F133 HydrophobicContact CD2-CE1 4.19Å; F12-F133 AromaticContact CD2-CZ 3.91Å; F12-F133 HydrophobicContact CD2-CZ 3.91Å; F12-F133 AromaticContact CE2-CE1 3.69Å; F12-F133 HydrophobicContact CE2-CE1 3.69Å; F12-F133 AromaticContact CE2-CZ 3.82Å; F12-F133 HydrophobicContact CE2-CZ 3.82Å; F12-F133 HydrophobicContact CZ-CE1 4.27Å; F12-Y344 HydrophobicContact CE2-CD1 4.3Å; F12-Y344 HydrophobicContact CE2-CE1 4.22Å |
| 13 | D | 95.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 172 | -74.4 | -6 | 0 | 0 | 0 | 111.6 | T9 S11 F15 V16 K17 S106 R107 | T9-D13 PolarHBondContact O-N 3.27Å; S11-D13 VanDerWaalsContact C-N 3.34Å; S11-D13 PolarHBondContact O-N 2.93Å; D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact O-N 3.31Å; D13-V16 PolarHBondContact O-N 3.25Å; D13-K17 VanDerWaalsContact O-CB 3.23Å; D13-K17 WeakPolarHBondContact O-CB 3.21Å; D13-K17 PolarHBondContact O-N 3.44Å; D13-S106 WeakPolarHBondContact OD1-CA 3.45Å; D13-S106 WeakPolarHBondContact OD1-CB 3.32Å; D13-R107 HydrophobicContact CB-CG 4.5Å; D13-R107 WeakPolarHBondContact OD1-CB 3.46Å; D13-R107 PolarHBondContact OD1-N 3.01Å; D13-R107 WeakPolarHBondContact OD2-CG 3.34Å; D13-R107 IonicContact OD2-NE 3.38Å |
| 14 | F | 94.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 172.3 | 170.9 | -98.9 | 0 | 0 | 0 | 111.7 | G10 S11 F12 V16 E18 G19 L345 E492 | G10-F14 PolarHBondContact O-N 3.22Å; S11-F14 WeakPolarHBondContact O-CB 3.47Å; S11-F14 PolarHBondContact O-N 3.26Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 3.17Å; F14-V16 PolarHBondContact O-N 3.47Å; F14-E18 HydrophobicContact CD2-CB 4.34Å; F14-E18 HydrophobicContact CE2-CB 4.16Å; F14-E18 PolarHBondContact O-N 2.84Å; F14-G19 PolarHBondContact O-N 3.48Å; F14-L345 HydrophobicContact CE1-CD1 4.16Å; F14-E492 HydrophobicContact CD2-CB 4.21Å; F14-E492 HydrophobicContact CD2-CG 4.14Å |
| 15 | F | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -54.9 | -51.1 | 176.1 | 161 | -105 | 0 | 0 | 0 | 111.7 | S11 F12 D13 G19 L20 L100 Y344 L345 L348 | S11-F15 PolarHBondContact O-N 2.9Å; F12-F15 HydrophobicContact CD2-CD1 4.18Å; F12-F15 HydrophobicContact CE1-CD1 4.28Å; F12-F15 AromaticContact CE2-CD1 3.82Å; F12-F15 HydrophobicContact CE2-CD1 3.82Å; F12-F15 HydrophobicContact CE2-CE1 4.16Å; F12-F15 AromaticContact CZ-CD1 3.89Å; F12-F15 HydrophobicContact CZ-CD1 3.89Å; F12-F15 HydrophobicContact CZ-CE1 4.05Å; F12-F15 VanDerWaalsContact O-CB 3.29Å; F12-F15 WeakPolarHBondContact O-CB 3.42Å; F12-F15 PolarHBondContact O-N 3.4Å; F12-F15 VanDerWaalsContact O-N 3.11Å; D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact O-N 3.31Å; F15-G19 WeakPolarHBondContact O-CA 3.48Å; F15-G19 PolarHBondContact O-N 3.43Å; F15-L20 HydrophobicContact CD2-CD2 4.33Å; F15-L20 HydrophobicContact CD2-CG 4.47Å; F15-L20 HydrophobicContact CE2-CD2 3.51Å; F15-L20 HydrophobicContact CE2-CG 4.04Å; F15-L20 HydrophobicContact CZ-CD1 4.41Å; F15-L20 HydrophobicContact CZ-CD2 3.68Å; F15-L20 HydrophobicContact CZ-CG 4.15Å; F15-L20 PolarHBondContact O-N 3.26Å; F15-L100 HydrophobicContact CE1-CD2 4.2Å; F15-L100 HydrophobicContact CZ-CD2 3.99Å; F15-Y344 HydrophobicContact CD1-CD1 4.35Å; F15-Y344 HydrophobicContact CD2-CD1 4.4Å; F15-Y344 AromaticContact CE1-CD1 3.89Å; F15-Y344 HydrophobicContact CE1-CD1 3.89Å; F15-Y344 HydrophobicContact CE1-CE1 4.19Å; F15-Y344 AromaticContact CE2-CD1 3.93Å; F15-Y344 HydrophobicContact CE2-CD1 3.93Å; F15-Y344 AromaticContact CZ-CD1 3.67Å; F15-Y344 HydrophobicContact CZ-CD1 3.67Å; F15-Y344 HydrophobicContact CZ-CE1 4.12Å; F15-L345 HydrophobicContact CD2-CD2 3.52Å; F15-L345 HydrophobicContact CD2-CG 3.75Å; F15-L345 HydrophobicContact CE2-CD2 3.89Å; F15-L345 HydrophobicContact CE2-CG 4.4Å; F15-L348 HydrophobicContact CE2-CD2 3.91Å; F15-L348 HydrophobicContact CZ-CD2 4.11Å |
| 16 | V | 91.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -71.3 | -46.2 | -176.3 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | F12 D13 F14 A108 | F12-V16 HydrophobicContact CD1-CG2 3.96Å; F12-V16 HydrophobicContact CE1-CG2 3.67Å; F12-V16 HydrophobicContact CZ-CG2 4.4Å; F12-V16 PolarHBondContact O-N 3.21Å; F12-V16 VanDerWaalsContact O-N 3.09Å; D13-V16 PolarHBondContact O-N 3.25Å; F14-V16 PolarHBondContact O-N 3.47Å; V16-A108 HydrophobicContact CG1-CB 4.38Å; V16-A108 HydrophobicContact CG2-CB 4.05Å |
| 17 | K | 90.6 | Very high | 93 | Very high | 117 Ų | 117 | 27.8 Ų | 27.8 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -73.1 | -44.5 | -171.7 | -173.2 | -167 | 171.5 | -146.4 | 0 | 112.9 | D13 | D13-K17 VanDerWaalsContact O-CB 3.23Å; D13-K17 WeakPolarHBondContact O-CB 3.21Å; D13-K17 PolarHBondContact O-N 3.44Å |
| 18 | E | 90.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 31 Ų | 31 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -129.5 | -36.7 | -171.2 | -59.6 | -168.7 | -164.2 | 0 | 0 | 112.7 | F14 L20 S21 R22 K495 | F14-E18 HydrophobicContact CD2-CB 4.34Å; F14-E18 HydrophobicContact CE2-CB 4.16Å; F14-E18 PolarHBondContact O-N 2.84Å; E18-L20 PolarHBondContact O-N 3.22Å; E18-S21 PolarHBondContact O-N 3.46Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.48Å; E18-R22 WeakPolarHBondContact O-CG 3.4Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-CZ 2.69Å; E18-R22 IonicContact OE2-NE 2.82Å; E18-R22 IonicContact OE2-NH2 2.63Å; E18-R22 PolarHBondContact OE2-NH2 2.7Å; E18-K495 WeakPolarHBondContact OE2-CE 3.31Å |
| 19 | G | 91.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -54.5 | -47.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F14 F15 S21 R22 L23 | F14-G19 PolarHBondContact O-N 3.48Å; F15-G19 WeakPolarHBondContact O-CA 3.48Å; F15-G19 PolarHBondContact O-N 3.43Å; G19-S21 PolarHBondContact O-N 3.08Å; G19-R22 PolarHBondContact O-N 2.84Å; G19-L23 VanDerWaalsContact O-CB 3.3Å; G19-L23 WeakPolarHBondContact O-CB 3.25Å; G19-L23 PolarHBondContact O-N 3.21Å |
| 20 | L | 92.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.9 | -69.9 | 176.3 | 0 | 0 | 0 | 112.4 | F15 E18 R22 L23 V24 I46 V48 L348 | F15-L20 HydrophobicContact CD2-CD2 4.33Å; F15-L20 HydrophobicContact CD2-CG 4.47Å; F15-L20 HydrophobicContact CE2-CD2 3.51Å; F15-L20 HydrophobicContact CE2-CG 4.04Å; F15-L20 HydrophobicContact CZ-CD1 4.41Å; F15-L20 HydrophobicContact CZ-CD2 3.68Å; F15-L20 HydrophobicContact CZ-CG 4.15Å; F15-L20 PolarHBondContact O-N 3.26Å; E18-L20 PolarHBondContact O-N 3.22Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.16Å; L20-L23 PolarHBondContact O-N 3.1Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.28Å; L20-I46 HydrophobicContact CD2-CB 4.45Å; L20-I46 HydrophobicContact CD2-CG2 3.88Å; L20-V48 HydrophobicContact CD1-CG2 3.89Å; L20-L348 HydrophobicContact CD2-CD2 3.58Å |
| 21 | S | 92.9 | Very high | 90.9 | Very high | 77 Ų | 77 | 34 Ų | 34 | 54% | 0.538 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | E18 G19 V24 K25 | E18-S21 PolarHBondContact O-N 3.46Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.48Å; G19-S21 PolarHBondContact O-N 3.08Å; S21-V24 PolarHBondContact O-N 2.64Å; S21-K25 PolarHBondContact O-N 3.26Å |
| 22 | R | 92 | Very high | 90.4 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.6 | -39.6 | 177.8 | -65.4 | 177.8 | -171.1 | -160.6 | 4.9 | 111.7 | E18 G19 L20 V24 K25 H26 E180 D181 T493 | E18-R22 WeakPolarHBondContact O-CG 3.4Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-CZ 2.69Å; E18-R22 IonicContact OE2-NE 2.82Å; E18-R22 IonicContact OE2-NH2 2.63Å; E18-R22 PolarHBondContact OE2-NH2 2.7Å; G19-R22 PolarHBondContact O-N 2.84Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.16Å; R22-V24 VanDerWaalsContact C-N 3.3Å; R22-V24 PolarHBondContact O-N 3.32Å; R22-K25 WeakPolarHBondContact O-CB 3.12Å; R22-K25 PolarHBondContact O-N 2.57Å; R22-H26 PolarHBondContact O-CD2 2.98Å; R22-H26 PolarHBondContact O-N 2.86Å; R22-E180 VanDerWaalsContact CD-O 3.29Å; R22-E180 WeakPolarHBondContact CD-O 3.47Å; R22-E180 PolarHBondContact NH1-O 2.77Å; R22-D181 HydrophobicContact CB-CB 4.32Å; R22-T493 VanDerWaalsContact CZ-O 3.27Å; R22-T493 PolarHBondContact NH1-O 2.71Å; R22-T493 PolarHBondContact NH2-O 3.48Å |
| 23 | L | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.2 | 174.3 | 146.7 | 0 | 0 | 0 | 111.2 | G19 L20 H26 L27 I46 L345 R349 | G19-L23 VanDerWaalsContact O-CB 3.3Å; G19-L23 WeakPolarHBondContact O-CB 3.25Å; G19-L23 PolarHBondContact O-N 3.21Å; L20-L23 PolarHBondContact O-N 3.1Å; L23-H26 PolarHBondContact O-N 2.77Å; L23-L27 HydrophobicContact CD2-CD1 3.43Å; L23-L27 VanDerWaalsContact CD2-CD1 3.43Å; L23-L27 HydrophobicContact CD2-CG 4.39Å; L23-L27 HydrophobicContact CG-CD1 4.17Å; L23-L27 WeakPolarHBondContact O-CD1 3.18Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 2.99Å; L23-L27 PolarHBondContact O-N 3.18Å; L23-L27 VanDerWaalsContact O-N 3.09Å; L23-I46 HydrophobicContact CD2-CD1 3.44Å; L23-I46 VanDerWaalsContact CD2-CD1 3.44Å; L23-L345 HydrophobicContact CB-CD2 4.3Å; L23-L345 HydrophobicContact CD1-CD2 3.95Å; L23-L345 WeakPolarHBondContact CD1-O 3.42Å; L23-R349 HydrophobicContact CD1-CB 3.69Å; L23-R349 HydrophobicContact CD1-CG 4.49Å; L23-R349 HydrophobicContact CG-CB 4.35Å |
| 24 | V | 93.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 37 Ų | 37 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | L20 S21 R22 H26 L27 I43 Q44 I46 | L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.28Å; S21-V24 PolarHBondContact O-N 2.64Å; R22-V24 VanDerWaalsContact C-N 3.3Å; R22-V24 PolarHBondContact O-N 3.32Å; V24-H26 PolarHBondContact O-N 2.82Å; V24-L27 PolarHBondContact O-N 2.76Å; V24-I43 HydrophobicContact CG1-CG2 4.45Å; V24-I43 WeakPolarHBondContact CG1-O 3.29Å; V24-I43 HydrophobicContact CG2-CG2 4.16Å; V24-Q44 WeakPolarHBondContact CG1-O 3.45Å; V24-I46 HydrophobicContact CG2-CB 4.13Å; V24-I46 HydrophobicContact CG2-CD1 3.85Å; V24-I46 HydrophobicContact CG2-CG1 3.55Å |
| 25 | K | 90.9 | Very high | 87.9 | Confident | 143 Ų | 143 | 40.5 Ų | 40.5 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -54.9 | -35.9 | 178.5 | -178.1 | -175.5 | 172 | -165.7 | 0 | 112.6 | S21 R22 E180 | S21-K25 PolarHBondContact O-N 3.26Å; R22-K25 WeakPolarHBondContact O-CB 3.12Å; R22-K25 PolarHBondContact O-N 2.57Å; K25-E180 IonicContact NZ-OE1 3.83Å; K25-E180 PolarHBondContact NZ-OE1 2.97Å |
| 26 | H | 88.2 | Confident | 87 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 10.8 | -175.2 | -70.7 | -70.8 | 0 | 0 | 0 | 114.2 | R22 L23 V24 R179 E180 D181 R349 | R22-H26 PolarHBondContact O-CD2 2.98Å; R22-H26 PolarHBondContact O-N 2.86Å; L23-H26 PolarHBondContact O-N 2.77Å; V24-H26 PolarHBondContact O-N 2.82Å; H26-R179 PolarHBondContact ND1-NE 2.86Å; H26-E180 IonicContact CD2-OE1 2.95Å; H26-E180 IonicContact CE1-OE1 3.33Å; H26-E180 WeakPolarHBondContact NE2-CG 3.34Å; H26-E180 IonicContact NE2-OE1 3.1Å; H26-E180 PolarHBondContact NE2-OE1 2.93Å; H26-D181 HydrophobicContact CB-CB 4.27Å; H26-D181 WeakPolarHBondContact CB-OD2 3.42Å; H26-R349 PolarHBondContact O-NH1 2.8Å; H26-R349 PolarHBondContact O-NH2 3.48Å |
| 27 | L | 88.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -81 | 117.8 | 170.4 | -96.1 | 160.2 | 0 | 0 | 0 | 108.4 | L23 V24 I43 I46 V352 L353 | L23-L27 HydrophobicContact CD2-CD1 3.43Å; L23-L27 VanDerWaalsContact CD2-CD1 3.43Å; L23-L27 HydrophobicContact CD2-CG 4.39Å; L23-L27 HydrophobicContact CG-CD1 4.17Å; L23-L27 WeakPolarHBondContact O-CD1 3.18Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 2.99Å; L23-L27 PolarHBondContact O-N 3.18Å; L23-L27 VanDerWaalsContact O-N 3.09Å; V24-L27 PolarHBondContact O-N 2.76Å; L27-I43 HydrophobicContact CD1-CD1 4.23Å; L27-I46 HydrophobicContact CD1-CD1 4.33Å; L27-V352 HydrophobicContact CD1-CG1 4.08Å; L27-V352 HydrophobicContact CD2-CG1 4.18Å; L27-L353 HydrophobicContact CD2-CD2 3.55Å; L27-L353 HydrophobicContact CD2-CG 3.77Å |
| 28 | Q | 82.7 | Confident | 86.2 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -69 | 137.4 | 179.2 | -62.6 | -60.2 | -27.6 | 0 | 0 | 110.3 | F289 E293 | Q28-F289 HydrophobicContact CG-CE2 4.25Å; Q28-F289 HydrophobicContact CG-CZ 4.15Å; Q28-E293 PolarHBondContact NE2-OE1 3.17Å; Q28-E293 PolarHBondContact NE2-OE2 2.86Å; Q28-E293 VanDerWaalsContact NE2-OE2 3.1Å |
| 29 | P | 85.6 | Confident | 86 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 139.8 | 171.9 | 28.3 | -32.2 | 0 | 0 | 0 | 109.8 | E40 F41 K42 | P29-E40 HydrophobicContact CB-CG 3.92Å; P29-F41 CarbonylContact C-O 3.56Å; P29-F41 VanDerWaalsContact CA-O 3.29Å; P29-F41 WeakPolarHBondContact CA-O 3.35Å; P29-K42 HydrophobicContact CB-CB 4.22Å; P29-K42 HydrophobicContact CB-CG 4.43Å |
| 30 | L | 85.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 109.5 | 175.2 | -176.7 | 71.5 | 0 | 0 | 0 | 108.8 | F41 L356 K360 | L30-F41 HydrophobicContact CB-CB 4.04Å; L30-F41 PolarHBondContact N-O 2.94Å; L30-F41 PolarHBondContact O-N 2.84Å; L30-L356 HydrophobicContact CD2-CB 3.96Å; L30-L356 VanDerWaalsContact CD2-O 3.29Å; L30-L356 WeakPolarHBondContact CD2-O 3.34Å; L30-K360 HydrophobicContact CD1-CD 4.27Å; L30-K360 HydrophobicContact CD2-CB 3.69Å; L30-K360 HydrophobicContact CD2-CD 3.84Å; L30-K360 HydrophobicContact CD2-CG 4.37Å; L30-K360 HydrophobicContact CG-CD 4.16Å |
| 31 | E | 84.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.6 | 174.3 | -62.3 | -178.2 | -161.9 | 0 | 0 | 111.2 | V39 E40 P278 R280 | E31-V39 CarbonylContact C-O 3.58Å; E31-V39 VanDerWaalsContact CA-O 3.26Å; E31-V39 WeakPolarHBondContact CA-O 3.23Å; E31-E40 HydrophobicContact CG-CB 4.09Å; E31-E40 HydrophobicContact CG-CG 3.96Å; E31-P278 HydrophobicContact CB-CB 4.21Å; E31-P278 HydrophobicContact CB-CG 3.91Å; E31-P278 HydrophobicContact CG-CG 4.13Å; E31-P278 VanDerWaalsContact OE2-CB 3.23Å; E31-P278 WeakPolarHBondContact OE2-CB 3.26Å; E31-P278 WeakPolarHBondContact OE2-CG 3.41Å; E31-R280 IonicContact OE1-CZ 3.58Å; E31-R280 IonicContact OE1-NE 3.53Å; E31-R280 IonicContact OE1-NH2 3.71Å; E31-R280 PolarHBondContact OE1-NH2 3.31Å; E31-R280 IonicContact OE2-CZ 3.57Å; E31-R280 IonicContact OE2-NE 2.79Å; E31-R280 PolarHBondContact OE2-NE 3.23Å; E31-R280 IonicContact OE2-NH2 2.76Å; E31-R280 PolarHBondContact OE2-NH2 3.27Å |
| 32 | F | 84.2 | Confident | 85.4 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 152.8 | 172.6 | 61 | -87.6 | 0 | 0 | 0 | 113 | V39 F41 K360 L364 F379 | F32-V39 HydrophobicContact CD2-CB 4.49Å; F32-V39 HydrophobicContact CE1-CB 4.28Å; F32-V39 HydrophobicContact CE1-CG1 4.38Å; F32-V39 HydrophobicContact CE2-CB 4.12Å; F32-V39 HydrophobicContact CE2-CG2 4.23Å; F32-V39 HydrophobicContact CZ-CB 4.01Å; F32-V39 HydrophobicContact CZ-CG1 4.14Å; F32-V39 HydrophobicContact CZ-CG2 4.49Å; F32-V39 PolarHBondContact N-O 2.89Å; F32-V39 PolarHBondContact O-N 2.89Å; F32-F41 HydrophobicContact CE1-CD2 4.06Å; F32-K360 HydrophobicContact CB-CD 3.83Å; F32-K360 VanDerWaalsContact CB-CE 3.42Å; F32-K360 HydrophobicContact CB-CG 4.29Å; F32-K360 HydrophobicContact CD1-CB 4.05Å; F32-K360 HydrophobicContact CD1-CD 3.66Å; F32-K360 HydrophobicContact CD1-CG 3.63Å; F32-K360 HydrophobicContact CD2-CG 4.19Å; F32-K360 HydrophobicContact CE1-CB 3.88Å; F32-K360 HydrophobicContact CE1-CD 4.36Å; F32-K360 HydrophobicContact CE1-CG 3.9Å; F32-K360 HydrophobicContact CE2-CG 4.43Å; F32-K360 HydrophobicContact CG-CD 3.81Å; F32-K360 HydrophobicContact CG-CG 3.77Å; F32-K360 HydrophobicContact CZ-CB 4.34Å; F32-K360 HydrophobicContact CZ-CG 4.28Å; F32-L364 HydrophobicContact CD2-CD1 4.01Å; F32-L364 HydrophobicContact CD2-CD2 3.86Å; F32-L364 HydrophobicContact CD2-CG 3.97Å; F32-L364 HydrophobicContact CE2-CD1 4.46Å; F32-L364 HydrophobicContact CE2-CD2 4.02Å; F32-L364 HydrophobicContact CE2-CG 4Å; F32-F379 AromaticContact CZ-CE1 3.92Å; F32-F379 HydrophobicContact CZ-CE1 3.92Å; F32-F379 AromaticContact CZ-CZ 3.87Å; F32-F379 HydrophobicContact CZ-CZ 3.87Å |
| 33 | N | 80.3 | Confident | 85.4 | Confident | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.4 | 177.4 | -62.1 | -28.3 | 0 | 0 | 0 | 110.7 | D279 | N33-D279 PolarHBondContact ND2-OD2 3.49Å |
| 34 | S | 75.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 89 | 171.6 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | D37 I374 | S34-D37 PolarHBondContact N-O 3.31Å; S34-D37 PolarHBondContact O-N 3.12Å; S34-I374 VanDerWaalsContact OG-CD1 3.27Å; S34-I374 WeakPolarHBondContact OG-CD1 3.46Å |
| 35 | G | 76.5 | Confident | 85.3 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 83% | 0.825 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -126.1 | -168 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 36 | S | 76.2 | Confident | 85.4 | Confident | 110 Ų | 110 | 45.6 Ų | 45.6 | 77% | 0.769 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.4 | 175.1 | 54 | 0 | 0 | 0 | 0 | 114 | ||
| 37 | D | 80.3 | Confident | 85.6 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.4 | -172.6 | -69 | -25.3 | 0 | 0 | 0 | 111.4 | S34 V85 N86 I374 | S34-D37 PolarHBondContact N-O 3.31Å; S34-D37 PolarHBondContact O-N 3.12Å; D37-V85 HydrophobicContact CB-CG1 3.81Å; D37-N86 WeakPolarHBondContact CA-OD1 3.49Å; D37-N86 PolarHBondContact OD1-ND2 2.79Å; D37-I374 HydrophobicContact CB-CD1 4.3Å |
| 38 | V | 83.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 111.9 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V85 N86 | V38-V85 CarbonylContact O-C 3.45Å; V38-V85 WeakPolarHBondContact O-CA 3.17Å; V38-N86 PolarHBondContact N-OD1 3.17Å; V38-N86 PolarHBondContact O-N 2.63Å |
| 39 | V | 86.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.2 | 178 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | E31 F32 F41 V83 S84 V85 I374 F379 | E31-V39 CarbonylContact C-O 3.58Å; E31-V39 VanDerWaalsContact CA-O 3.26Å; E31-V39 WeakPolarHBondContact CA-O 3.23Å; F32-V39 HydrophobicContact CD2-CB 4.49Å; F32-V39 HydrophobicContact CE1-CB 4.28Å; F32-V39 HydrophobicContact CE1-CG1 4.38Å; F32-V39 HydrophobicContact CE2-CB 4.12Å; F32-V39 HydrophobicContact CE2-CG2 4.23Å; F32-V39 HydrophobicContact CZ-CB 4.01Å; F32-V39 HydrophobicContact CZ-CG1 4.14Å; F32-V39 HydrophobicContact CZ-CG2 4.49Å; F32-V39 PolarHBondContact N-O 2.89Å; F32-V39 PolarHBondContact O-N 2.89Å; V39-F41 HydrophobicContact CG1-CD2 4.03Å; V39-F41 HydrophobicContact CG1-CE2 3.95Å; V39-V83 HydrophobicContact CG1-CG1 4.15Å; V39-S84 CarbonylContact C-O 3.59Å; V39-S84 WeakPolarHBondContact CA-O 3.26Å; V39-V85 HydrophobicContact CG1-CG2 4.21Å; V39-V85 HydrophobicContact CG2-CG2 4.13Å; V39-I374 HydrophobicContact CG2-CD1 3.45Å; V39-I374 VanDerWaalsContact CG2-CD1 3.45Å; V39-I374 HydrophobicContact CG2-CG2 4.3Å; V39-F379 HydrophobicContact CG1-CE2 3.99Å; V39-F379 HydrophobicContact CG1-CZ 3.72Å |
| 40 | E | 88.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.1 | 174.5 | -178.4 | -167.3 | -163.3 | 0 | 0 | 110.6 | P29 E31 V83 S84 | P29-E40 HydrophobicContact CB-CG 3.92Å; E31-E40 HydrophobicContact CG-CB 4.09Å; E31-E40 HydrophobicContact CG-CG 3.96Å; E40-V83 WeakPolarHBondContact O-CA 3.41Å; E40-S84 PolarHBondContact N-O 2.69Å; E40-S84 PolarHBondContact O-N 3.49Å; E40-S84 PolarHBondContact OE2-OG 3.08Å |
| 41 | F | 86.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.3 | 176 | -100 | -106.3 | 0 | 0 | 0 | 110.7 | P29 L30 F32 V39 V81 V83 L356 V359 F379 L383 | P29-F41 CarbonylContact C-O 3.56Å; P29-F41 VanDerWaalsContact CA-O 3.29Å; P29-F41 WeakPolarHBondContact CA-O 3.35Å; L30-F41 HydrophobicContact CB-CB 4.04Å; L30-F41 PolarHBondContact N-O 2.94Å; L30-F41 PolarHBondContact O-N 2.84Å; F32-F41 HydrophobicContact CE1-CD2 4.06Å; V39-F41 HydrophobicContact CG1-CD2 4.03Å; V39-F41 HydrophobicContact CG1-CE2 3.95Å; F41-V81 HydrophobicContact CD1-CG1 3.63Å; F41-V81 HydrophobicContact CE1-CG1 3.78Å; F41-V83 HydrophobicContact CD2-CG1 4.45Å; F41-V83 HydrophobicContact CE1-CG2 3.96Å; F41-V83 HydrophobicContact CE2-CB 4.26Å; F41-V83 HydrophobicContact CE2-CG1 3.65Å; F41-V83 HydrophobicContact CE2-CG2 3.75Å; F41-V83 HydrophobicContact CZ-CB 4.33Å; F41-V83 HydrophobicContact CZ-CG1 4.08Å; F41-V83 HydrophobicContact CZ-CG2 3.35Å; F41-L356 HydrophobicContact CD1-CD2 4.05Å; F41-V359 HydrophobicContact CE1-CG1 4.27Å; F41-F379 HydrophobicContact CD2-CE1 4.05Å; F41-F379 HydrophobicContact CD2-CZ 4.3Å; F41-F379 AromaticContact CE1-CD1 3.87Å; F41-F379 HydrophobicContact CE1-CD1 3.87Å; F41-F379 HydrophobicContact CE1-CE1 4.29Å; F41-F379 HydrophobicContact CE1-CG 4.38Å; F41-F379 AromaticContact CE2-CD1 3.32Å; F41-F379 HydrophobicContact CE2-CD1 3.32Å; F41-F379 AromaticContact CE2-CD2 3.97Å; F41-F379 HydrophobicContact CE2-CD2 3.97Å; F41-F379 AromaticContact CE2-CE1 3.04Å; F41-F379 HydrophobicContact CE2-CE1 3.04Å; F41-F379 AromaticContact CE2-CE2 3.72Å; F41-F379 HydrophobicContact CE2-CE2 3.72Å; F41-F379 AromaticContact CE2-CG 3.79Å; F41-F379 HydrophobicContact CE2-CG 3.79Å; F41-F379 AromaticContact CE2-CZ 3.3Å; F41-F379 HydrophobicContact CE2-CZ 3.3Å; F41-F379 HydrophobicContact CZ-CB 3.83Å; F41-F379 AromaticContact CZ-CD1 2.92Å; F41-F379 HydrophobicContact CZ-CD1 2.92Å; F41-F379 AromaticContact CZ-CD2 3.88Å; F41-F379 HydrophobicContact CZ-CD2 3.88Å; F41-F379 AromaticContact CZ-CE1 3.24Å; F41-F379 HydrophobicContact CZ-CE1 3.24Å; F41-F379 HydrophobicContact CZ-CE2 4.11Å; F41-F379 AromaticContact CZ-CG 3.29Å; F41-F379 HydrophobicContact CZ-CG 3.29Å; F41-F379 AromaticContact CZ-CZ 3.87Å; F41-F379 HydrophobicContact CZ-CZ 3.87Å; F41-L383 HydrophobicContact CE1-CD1 4.27Å |
| 42 | K | 90.5 | Very high | 87.3 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129 | 180 | -172.5 | 172.6 | -177.8 | 171.8 | 0 | 111.5 | P29 Q44 V81 R82 | P29-K42 HydrophobicContact CB-CB 4.22Å; P29-K42 HydrophobicContact CB-CG 4.43Å; K42-Q44 PolarHBondContact O-N 3.18Å; K42-V81 CarbonylContact O-C 3.59Å; K42-R82 PolarHBondContact N-O 3.22Å; K42-R82 PolarHBondContact O-N 3.38Å |
| 43 | I | 92.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125 | 171.2 | -65 | 178.4 | 0 | 0 | 0 | 108.3 | V24 L27 I46 V81 V352 L356 | V24-I43 HydrophobicContact CG1-CG2 4.45Å; V24-I43 WeakPolarHBondContact CG1-O 3.29Å; V24-I43 HydrophobicContact CG2-CG2 4.16Å; L27-I43 HydrophobicContact CD1-CD1 4.23Å; I43-I46 HydrophobicContact CG2-CD1 4.19Å; I43-I46 HydrophobicContact CG2-CG1 3.78Å; I43-V81 HydrophobicContact CG1-CG2 4.44Å; I43-V352 HydrophobicContact CD1-CB 4.46Å; I43-V352 HydrophobicContact CD1-CG1 2.98Å; I43-V352 HydrophobicContact CG1-CG1 4.49Å; I43-L356 HydrophobicContact CD1-CD1 3.93Å; I43-L356 HydrophobicContact CD1-CD2 4.36Å; I43-L356 HydrophobicContact CD1-CG 4.34Å; I43-L356 HydrophobicContact CG1-CD1 4.23Å; I43-L356 HydrophobicContact CG1-CD2 4.37Å |
| 44 | Q | 91.1 | Very high | 87.2 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -41.7 | -178.7 | -166.7 | 176.8 | -28.6 | 0 | 0 | 111.5 | V24 K42 S80 R82 | V24-Q44 WeakPolarHBondContact CG1-O 3.45Å; K42-Q44 PolarHBondContact O-N 3.18Å; Q44-S80 PolarHBondContact N-O 3.01Å; Q44-R82 VanDerWaalsContact CD-NH2 3.29Å |
| 45 | F | 92.2 | Very high | 87.2 | Confident | 128 Ų | 128 | 58.4 Ų | 58.4 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.5 | 178.7 | -61.4 | -68.8 | 0 | 0 | 0 | 111.5 | S80 | F45-S80 PolarHBondContact N-O 3.13Å; F45-S80 PolarHBondContact O-N 3.07Å |
| 46 | I | 93.6 | Very high | 87.5 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.7 | 168 | -57 | -174.6 | 0 | 0 | 0 | 106.5 | L20 L23 V24 L27 I43 L77 K78 L79 V352 | L20-I46 HydrophobicContact CD2-CB 4.45Å; L20-I46 HydrophobicContact CD2-CG2 3.88Å; L23-I46 HydrophobicContact CD2-CD1 3.44Å; L23-I46 VanDerWaalsContact CD2-CD1 3.44Å; V24-I46 HydrophobicContact CG2-CB 4.13Å; V24-I46 HydrophobicContact CG2-CD1 3.85Å; V24-I46 HydrophobicContact CG2-CG1 3.55Å; L27-I46 HydrophobicContact CD1-CD1 4.33Å; I43-I46 HydrophobicContact CG2-CD1 4.19Å; I43-I46 HydrophobicContact CG2-CG1 3.78Å; I46-L77 HydrophobicContact CG2-CD1 3.63Å; I46-K78 WeakPolarHBondContact CA-O 3.47Å; I46-L79 HydrophobicContact CB-CD2 4.1Å; I46-L79 HydrophobicContact CD1-CD2 3.79Å; I46-L79 HydrophobicContact CG1-CD2 3.49Å; I46-L79 VanDerWaalsContact CG1-CD2 3.49Å; I46-L79 HydrophobicContact CG2-CD2 3.83Å; I46-V352 HydrophobicContact CD1-CG2 4.41Å |
| 47 | E | 92.4 | Very high | 87.7 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.8 | -178 | -168.9 | -177.6 | 176.6 | 0 | 0 | 110 | K78 | E47-K78 PolarHBondContact N-O 2.89Å; E47-K78 PolarHBondContact O-N 3.35Å |
| 48 | V | 92.5 | Very high | 87.8 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.1 | 173 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | L20 L77 L100 I102 | L20-V48 HydrophobicContact CD1-CG2 3.89Å; V48-L77 HydrophobicContact CG2-CD1 3.94Å; V48-L100 HydrophobicContact CG1-CD2 4.29Å; V48-L100 HydrophobicContact CG2-CD2 3.62Å; V48-I102 HydrophobicContact CG1-CD1 4.04Å; V48-I102 HydrophobicContact CG1-CG1 4.41Å |
| 49 | A | 91.6 | Very high | 88 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 159 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G75 E76 | A49-G75 WeakPolarHBondContact O-CA 3.36Å; A49-E76 HydrophobicContact CB-CB 4.2Å; A49-E76 PolarHBondContact N-O 3.32Å |
| 50 | P | 90.9 | Very high | 88.2 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 155.8 | 170.6 | 26.4 | -34.3 | 0 | 0 | 0 | 111.8 | V52 | P50-V52 PolarHBondContact O-N 2.92Š|
| 51 | P | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 121.8 | 173.9 | -20.7 | 32.5 | 0 | 0 | 0 | 111.8 | L61 Y73 G74 I102 A108 N110 | P51-L61 HydrophobicContact CB-CB 4.2Å; P51-L61 PolarHBondContact O-N 3.24Å; P51-L61 VanDerWaalsContact O-N 3.14Å; P51-Y73 HydrophobicContact CB-CD2 4.11Å; P51-Y73 HydrophobicContact CB-CE2 3.61Å; P51-Y73 HydrophobicContact CG-CD2 4.33Å; P51-Y73 HydrophobicContact CG-CE1 4.05Å; P51-Y73 HydrophobicContact CG-CE2 3.68Å; P51-G74 WeakPolarHBondContact CA-O 3.48Å; P51-I102 HydrophobicContact CG-CB 4.45Å; P51-I102 HydrophobicContact CG-CD1 3.75Å; P51-A108 WeakPolarHBondContact CD-O 3.43Å; P51-N110 PolarHBondContact O-ND2 3.12Å |
| 52 | V | 92.7 | Very high | 88.7 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.297 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -132.4 | 156.8 | 176.9 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | P50 T59 L60 | P50-V52 PolarHBondContact O-N 2.92Å; V52-T59 WeakPolarHBondContact CA-O 3.27Å; V52-L60 HydrophobicContact CG1-CD2 4.33Å |
| 53 | D | 84.3 | Confident | 88.8 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -63.5 | 139.1 | 173 | -169.2 | -15.4 | 0 | 0 | 0 | 110.4 | D55 N56 R57 T59 | D53-D55 VanDerWaalsContact C-N 3.31Å; D53-D55 PolarHBondContact OD1-N 2.94Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å; D53-N56 CarbonylContact O-C 3.36Å; D53-R57 PolarHBondContact O-N 3.21Å; D53-T59 PolarHBondContact N-O 3.11Å | ||
| 54 | S | 78.3 | Confident | 88.8 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -67.2 | -34.3 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 55 | D | 77.4 | Confident | 88.7 | Confident | 152 Ų | 152 | 62.9 Ų | 62.9 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -83.6 | -36.3 | -176.1 | -67.1 | -11.4 | 0 | 0 | 0 | 110.8 | D53 | D53-D55 VanDerWaalsContact C-N 3.31Å; D53-D55 PolarHBondContact OD1-N 2.94Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å |
| 56 | N | 82 | Confident | 88.6 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | trans | -128.7 | 94.1 | 174.9 | -171.6 | 1.4 | 0 | 0 | 0 | 111.8 | D53 S58 T59 | D53-N56 CarbonylContact O-C 3.36Å; N56-S58 VanDerWaalsContact CG-OG 3.3Å; N56-S58 PolarHBondContact ND2-OG 3.04Å; N56-S58 PolarHBondContact O-N 2.92Å; N56-S58 PolarHBondContact OD1-N 3.47Å; N56-S58 PolarHBondContact OD1-OG 3.2Å; N56-T59 PolarHBondContact ND2-OG1 3.27Å; N56-T59 VanDerWaalsContact ND2-OG1 3.12Å; N56-T59 WeakPolarHBondContact O-CB 3.45Å; N56-T59 PolarHBondContact O-N 3.02Å | ||
| 57 | R | 79.6 | Confident | 88.3 | Confident | 173 Ų | 173 | 56.1 Ų | 56.1 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.4 | 179.7 | -67.9 | -178.7 | 172.2 | -160.5 | -13.1 | 115 | D53 E76 | D53-R57 PolarHBondContact O-N 3.21Å; R57-E76 IonicContact NH2-OE1 2.78Å |
| 58 | S | 83.1 | Confident | 87.8 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.1 | 174.1 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | N56 | N56-S58 VanDerWaalsContact CG-OG 3.3Å; N56-S58 PolarHBondContact ND2-OG 3.04Å; N56-S58 PolarHBondContact O-N 2.92Å; N56-S58 PolarHBondContact OD1-N 3.47Å; N56-S58 PolarHBondContact OD1-OG 3.2Å |
| 59 | T | 88.1 | Confident | 87.2 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.362 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88 | 123.8 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 110 | V52 D53 N56 | V52-T59 WeakPolarHBondContact CA-O 3.27Å; D53-T59 PolarHBondContact N-O 3.11Å; N56-T59 PolarHBondContact ND2-OG1 3.27Å; N56-T59 VanDerWaalsContact ND2-OG1 3.12Å; N56-T59 WeakPolarHBondContact O-CB 3.45Å; N56-T59 PolarHBondContact O-N 3.02Å |
| 60 | L | 91 | Very high | 86.6 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 133 | 171.3 | -65.6 | 177.9 | 0 | 0 | 0 | 109.8 | V52 Y62 | V52-L60 HydrophobicContact CG1-CD2 4.33Å; L60-Y62 HydrophobicContact CB-CE2 4.29Å |
| 61 | L | 91.2 | Very high | 86.4 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 134.5 | 176.1 | -169 | 68.6 | 0 | 0 | 0 | 109.4 | P51 E65 C66 Y73 N110 | P51-L61 HydrophobicContact CB-CB 4.2Å; P51-L61 PolarHBondContact O-N 3.24Å; P51-L61 VanDerWaalsContact O-N 3.14Å; L61-E65 HydrophobicContact CD1-CB 4.29Å; L61-C66 WeakPolarHBondContact CD2-SG 3.43Å; L61-Y73 WeakPolarHBondContact O-CE2 3.31Å; L61-N110 PolarHBondContact O-ND2 2.92Å |
| 62 | Y | 93.3 | Very high | 86.3 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | trans | -105.8 | 153.3 | 177.2 | -67.5 | -81.9 | 0 | 0 | 0 | 112.3 | L60 S64 E65 C66 N110 L111 L114 H122 | L60-Y62 HydrophobicContact CB-CE2 4.29Å; Y62-S64 VanDerWaalsContact C-N 3.28Å; Y62-S64 PolarHBondContact O-N 3.48Å; Y62-E65 PolarHBondContact N-OE2 3.07Å; Y62-E65 WeakPolarHBondContact O-CB 3.29Å; Y62-E65 PolarHBondContact O-N 3.08Å; Y62-E65 VanDerWaalsContact O-N 3.16Å; Y62-C66 PolarHBondContact O-N 3.06Å; Y62-N110 HydrophobicContact CD1-CB 4.42Å; Y62-N110 HydrophobicContact CE1-CB 4.18Å; Y62-L111 HydrophobicContact CD1-CD2 3.87Å; Y62-L111 HydrophobicContact CE1-CD2 4.38Å; Y62-L114 HydrophobicContact CE1-CD1 3.71Å; Y62-H122 HydrophobicContact CD1-CB 4.05Å; Y62-H122 AromaticContact CD1-CG 3.92Å; Y62-H122 AromaticContact CD1-ND1 3.93Å; Y62-H122 AromaticContact CD2-ND1 3.54Å; Y62-H122 HydrophobicContact CE1-CB 4.44Å; Y62-H122 AromaticContact CE1-CE1 3.91Å; Y62-H122 AromaticContact CE1-CG 3.83Å; Y62-H122 AromaticContact CE1-ND1 3.67Å; Y62-H122 AromaticContact CE2-CE1 3.52Å; Y62-H122 AromaticContact CE2-ND1 3.25Å; Y62-H122 VanDerWaalsContact CE2-ND1 3.25Å; Y62-H122 WeakPolarHBondContact CE2-ND1 3.38Å; Y62-H122 HydrophobicContact CG-CB 4.13Å; Y62-H122 AromaticContact CG-ND1 3.87Å; Y62-H122 AromaticContact CZ-CE1 3.31Å; Y62-H122 AromaticContact CZ-CG 3.96Å; Y62-H122 AromaticContact CZ-ND1 3.32Å; Y62-H122 VanDerWaalsContact CZ-ND1 3.32Å; Y62-H122 AromaticContact CZ-NE2 3.93Å; Y62-H122 PolarHBondContact OH-CE1 2.77Å | ||
| 63 | P | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -38 | -178.2 | -26.3 | 36.5 | 0 | 0 | 0 | 113.6 | E65 C66 R67 Y73 V104 L111 E124 I134 | P63-E65 VanDerWaalsContact C-N 3.29Å; P63-E65 PolarHBondContact O-N 2.81Å; P63-C66 PolarHBondContact O-N 3.04Å; P63-R67 WeakPolarHBondContact O-CG 3.28Å; P63-R67 PolarHBondContact O-N 2.93Å; P63-Y73 HydrophobicContact CG-CD1 4.44Å; P63-Y73 HydrophobicContact CG-CD2 4.31Å; P63-Y73 HydrophobicContact CG-CE1 4.04Å; P63-Y73 HydrophobicContact CG-CE2 3.9Å; P63-V104 HydrophobicContact CB-CG2 4.35Å; P63-V104 HydrophobicContact CG-CG1 4.37Å; P63-V104 HydrophobicContact CG-CG2 4.39Å; P63-L111 HydrophobicContact CG-CD1 3.72Å; P63-L111 HydrophobicContact CG-CG 4.08Å; P63-E124 WeakPolarHBondContact CB-OE1 3.48Å; P63-I134 HydrophobicContact CB-CD1 3.52Å |
| 64 | S | 91.2 | Very high | 87 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -34.5 | 178.4 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | Y62 R67 R68 H122 E124 | Y62-S64 VanDerWaalsContact C-N 3.28Å; Y62-S64 PolarHBondContact O-N 3.48Å; S64-R67 VanDerWaalsContact CA-NH1 3.34Å; S64-R68 WeakPolarHBondContact O-CG 3.31Å; S64-R68 PolarHBondContact O-N 3.42Å; S64-R68 PolarHBondContact O-NE 3.36Å; S64-H122 WeakPolarHBondContact CB-O 3.43Å; S64-H122 PolarHBondContact OG-O 3.22Å; S64-E124 WeakPolarHBondContact CA-OE1 3.48Å; S64-E124 VanDerWaalsContact CB-OE1 3.24Å; S64-E124 WeakPolarHBondContact CB-OE1 3.21Å; S64-E124 PolarHBondContact N-OE1 2.94Å |
| 65 | E | 88.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -47 | 176.5 | -65.8 | 164.9 | 174.7 | 0 | 0 | 109.7 | L61 Y62 P63 R67 R68 S69 | L61-E65 HydrophobicContact CD1-CB 4.29Å; Y62-E65 PolarHBondContact N-OE2 3.07Å; Y62-E65 WeakPolarHBondContact O-CB 3.29Å; Y62-E65 PolarHBondContact O-N 3.08Å; Y62-E65 VanDerWaalsContact O-N 3.16Å; P63-E65 VanDerWaalsContact C-N 3.29Å; P63-E65 PolarHBondContact O-N 2.81Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.89Å; E65-R68 PolarHBondContact O-N 2.95Å; E65-S69 WeakPolarHBondContact O-CB 3.28Å; E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.03Å |
| 66 | C | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 177 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | L61 Y62 P63 G70 L71 I134 G137 | L61-C66 WeakPolarHBondContact CD2-SG 3.43Å; Y62-C66 PolarHBondContact O-N 3.06Å; P63-C66 PolarHBondContact O-N 3.04Å; C66-G70 PolarHBondContact O-N 2.88Å; C66-L71 HydrophobicContact CB-CB 4.48Å; C66-L71 PolarHBondContact O-N 2.99Å; C66-L71 VanDerWaalsContact O-N 3.1Å; C66-I134 HydrophobicContact CB-CG2 4.03Å; C66-G137 WeakPolarHBondContact O-CA 3.34Å |
| 67 | R | 87.2 | Confident | 89 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 174.8 | -66.2 | -175.8 | -155.3 | 107 | -4.6 | 110.1 | P63 S64 E65 E124 E128 Y132 I134 E139 R694 S695 | P63-R67 WeakPolarHBondContact O-CG 3.28Å; P63-R67 PolarHBondContact O-N 2.93Å; S64-R67 VanDerWaalsContact CA-NH1 3.34Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.89Å; R67-E124 IonicContact CZ-OE1 3.66Å; R67-E124 IonicContact CZ-OE2 3.7Å; R67-E124 IonicContact NH1-OE1 2.74Å; R67-E124 PolarHBondContact NH1-OE1 3.35Å; R67-E124 IonicContact NH1-OE2 3.71Å; R67-E124 PolarHBondContact NH1-OE2 2.95Å; R67-E124 IonicContact NH2-OE1 3.33Å; R67-E124 PolarHBondContact NH2-OE1 3.23Å; R67-E124 IonicContact NH2-OE2 2.86Å; R67-E124 PolarHBondContact NH2-OE2 3.14Å; R67-E128 IonicContact NH2-OE2 3.25Å; R67-Y132 PolarHBondContact NH2-OH 3.48Å; R67-I134 HydrophobicContact CG-CD1 3.89Å; R67-I134 HydrophobicContact CG-CG1 4.35Å; R67-I134 HydrophobicContact CG-CG2 4.35Å; R67-E139 IonicContact CZ-OE1 3.66Å; R67-E139 IonicContact NE-OE1 2.88Å; R67-E139 PolarHBondContact NE-OE1 3.4Å; R67-E139 IonicContact NH2-OE1 3.54Å; R67-R694 VanDerWaalsContact NE-NH1 3.15Å; R67-S695 PolarHBondContact O-OG 2.57Å |
| 68 | R | 82.2 | Confident | 89.7 | Confident | 90 Ų | 90 | 36.1 Ų | 36.1 | 34% | 0.34 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.5 | -48.5 | -177.5 | -71.2 | -177.6 | -73.1 | 163.4 | -1.3 | 112.9 | S64 E65 G70 N693 N855 | S64-R68 WeakPolarHBondContact O-CG 3.31Å; S64-R68 PolarHBondContact O-N 3.42Å; S64-R68 PolarHBondContact O-NE 3.36Å; E65-R68 PolarHBondContact O-N 2.95Å; R68-G70 PolarHBondContact O-N 3.41Å; R68-N693 WeakPolarHBondContact CD-O 3.44Å; R68-N693 WeakPolarHBondContact CG-O 3.42Å; R68-N855 PolarHBondContact O-OD1 3.07Å; R68-N855 VanDerWaalsContact O-OD1 3.12Å |
| 69 | S | 79.2 | Confident | 90.2 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -77.1 | -5.5 | -175.4 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | E65 L71 | E65-S69 WeakPolarHBondContact O-CB 3.28Å; E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.03Å; S69-L71 PolarHBondContact O-N 2.81Å; S69-L71 WeakPolarHBondContact OG-CD1 3.22Å; S69-L71 VanDerWaalsContact OG-CG 3.22Å; S69-L71 WeakPolarHBondContact OG-CG 3.49Å |
| 70 | G | 81 | Confident | 90.5 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 17.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C66 R68 H136 G137 | C66-G70 PolarHBondContact O-N 2.88Å; R68-G70 PolarHBondContact O-N 3.41Å; G70-H136 CarbonylContact O-C 3.53Å; G70-H136 WeakPolarHBondContact O-CA 3.23Å; G70-G137 PolarHBondContact O-N 2.94Å |
| 71 | L | 86.5 | Confident | 90.6 | Very high | 88 Ų | 88 | 26.3 Ų | 26.3 | 46% | 0.461 | 14% | 0.139 | S | C | . | . | trans | -87.1 | 165.5 | -179.3 | -63.1 | 177.1 | 0 | 0 | 0 | 112.1 | C66 S69 G137 | C66-L71 HydrophobicContact CB-CB 4.48Å; C66-L71 PolarHBondContact O-N 2.99Å; C66-L71 VanDerWaalsContact O-N 3.1Å; S69-L71 PolarHBondContact O-N 2.81Å; S69-L71 WeakPolarHBondContact OG-CD1 3.22Å; S69-L71 VanDerWaalsContact OG-CG 3.22Å; S69-L71 WeakPolarHBondContact OG-CG 3.49Å; L71-G137 PolarHBondContact O-N 3.49Å | ||
| 72 | T | 92.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | trans | -92.1 | 124.2 | 172.6 | -66.4 | 0 | 0 | 0 | 0 | 109 | G74 P101 I134 V135 H136 V395 | T72-G74 PolarHBondContact O-N 3.39Å; T72-P101 HydrophobicContact CG2-CB 4.4Å; T72-P101 HydrophobicContact CG2-CG 4.01Å; T72-I134 WeakPolarHBondContact CA-O 3.38Å; T72-V135 HydrophobicContact CG2-CG1 4.42Å; T72-V135 HydrophobicContact CG2-CG2 4.23Å; T72-H136 PolarHBondContact OG1-N 2.99Å; T72-V395 HydrophobicContact CG2-CG2 4.47Å | ||
| 73 | Y | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -77.3 | 108.7 | 174.3 | -176.3 | -109.5 | 0 | 0 | 0 | 109.7 | P51 L61 P63 P101 I102 V104 C109 N110 I134 | P51-Y73 HydrophobicContact CB-CD2 4.11Å; P51-Y73 HydrophobicContact CB-CE2 3.61Å; P51-Y73 HydrophobicContact CG-CD2 4.33Å; P51-Y73 HydrophobicContact CG-CE1 4.05Å; P51-Y73 HydrophobicContact CG-CE2 3.68Å; L61-Y73 WeakPolarHBondContact O-CE2 3.31Å; P63-Y73 HydrophobicContact CG-CD1 4.44Å; P63-Y73 HydrophobicContact CG-CD2 4.31Å; P63-Y73 HydrophobicContact CG-CE1 4.04Å; P63-Y73 HydrophobicContact CG-CE2 3.9Å; Y73-P101 WeakPolarHBondContact O-CA 3.36Å; Y73-I102 HydrophobicContact CD1-CB 4.37Å; Y73-I102 HydrophobicContact CE1-CB 4.26Å; Y73-I102 HydrophobicContact CE1-CG2 4.04Å; Y73-I102 PolarHBondContact O-N 2.63Å; Y73-V104 HydrophobicContact CD1-CG2 4.42Å; Y73-C109 HydrophobicContact CE1-CB 4.48Å; Y73-C109 PolarHBondContact OH-SG 3.32Å; Y73-N110 PolarHBondContact OH-N 2.76Å; Y73-N110 VanDerWaalsContact OH-N 3.11Å; Y73-I134 PolarHBondContact N-O 2.93Å | ||
| 74 | G | 94.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 168.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P51 T72 L100 | P51-G74 WeakPolarHBondContact CA-O 3.48Å; T72-G74 PolarHBondContact O-N 3.39Å; G74-L100 CarbonylContact C-O 3.41Å; G74-L100 WeakPolarHBondContact CA-O 3.42Å |
| 75 | G | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A49 L77 V99 L100 | A49-G75 WeakPolarHBondContact O-CA 3.36Å; G75-L77 PolarHBondContact O-N 2.96Å; G75-V99 CarbonylContact O-C 3.55Å; G75-V99 WeakPolarHBondContact O-CA 3.29Å; G75-L100 PolarHBondContact N-O 3.12Å; G75-L100 PolarHBondContact O-N 3.26Å |
| 76 | E | 92.7 | Very high | 90 | Very high | 48 Ų | 48 | 31 Ų | 31 | 22% | 0.224 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.4 | 173.5 | -172.1 | 177.9 | -136.9 | 0 | 0 | 109.9 | A49 R57 K78 P96 | A49-E76 HydrophobicContact CB-CB 4.2Å; A49-E76 PolarHBondContact N-O 3.32Å; R57-E76 IonicContact NH2-OE1 2.78Å; E76-K78 HydrophobicContact CG-CG 4.37Å; E76-K78 WeakPolarHBondContact OE2-CE 3.08Å; E76-K78 IonicContact OE2-NZ 2.7Å; E76-P96 HydrophobicContact CG-CB 4.47Å |
| 77 | L | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.3 | 172.3 | 176.8 | 66.4 | 0 | 0 | 0 | 108.9 | I46 V48 G75 C97 G98 L100 L348 V390 | I46-L77 HydrophobicContact CG2-CD1 3.63Å; V48-L77 HydrophobicContact CG2-CD1 3.94Å; G75-L77 PolarHBondContact O-N 2.96Å; L77-C97 HydrophobicContact CB-CB 4.06Å; L77-C97 HydrophobicContact CD2-CB 3.68Å; L77-C97 HydrophobicContact CG-CB 3.81Å; L77-C97 PolarHBondContact O-N 2.91Å; L77-G98 PolarHBondContact N-O 3.45Å; L77-L100 HydrophobicContact CB-CB 4.26Å; L77-L100 HydrophobicContact CD1-CD2 4.49Å; L77-L348 HydrophobicContact CD2-CD1 4.24Å; L77-V390 HydrophobicContact CD2-CB 4.48Å; L77-V390 HydrophobicContact CD2-CG1 3.83Å |
| 78 | K | 94 | Very high | 89.4 | Confident | 80 Ų | 80 | 37.9 Ų | 37.9 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.2 | 175.6 | -64.8 | 178.2 | -176.2 | 172 | 0 | 110.3 | I46 E47 E76 | I46-K78 WeakPolarHBondContact CA-O 3.47Å; E47-K78 PolarHBondContact N-O 2.89Å; E47-K78 PolarHBondContact O-N 3.35Å; E76-K78 HydrophobicContact CG-CG 4.37Å; E76-K78 WeakPolarHBondContact OE2-CE 3.08Å; E76-K78 IonicContact OE2-NZ 2.7Å |
| 79 | L | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125 | 173.1 | -61.5 | -179.2 | 0 | 0 | 0 | 109.4 | I46 V81 V95 C97 L355 | I46-L79 HydrophobicContact CB-CD2 4.1Å; I46-L79 HydrophobicContact CD1-CD2 3.79Å; I46-L79 HydrophobicContact CG1-CD2 3.49Å; I46-L79 VanDerWaalsContact CG1-CD2 3.49Å; I46-L79 HydrophobicContact CG2-CD2 3.83Å; L79-V81 HydrophobicContact CB-CG2 4.44Å; L79-V95 PolarHBondContact N-O 3.36Å; L79-V95 PolarHBondContact O-N 3.35Å; L79-C97 WeakPolarHBondContact CD1-SG 3.47Å; L79-C97 WeakPolarHBondContact CG-SG 3.43Å; L79-L355 HydrophobicContact CD1-CD2 3.83Å |
| 80 | S | 94.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.5 | 169.4 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | Q44 F45 L93 D94 | Q44-S80 PolarHBondContact N-O 3.01Å; F45-S80 PolarHBondContact N-O 3.13Å; F45-S80 PolarHBondContact O-N 3.07Å; S80-L93 CarbonylContact C-O 3.35Å; S80-L93 WeakPolarHBondContact CA-O 3.26Å; S80-D94 WeakPolarHBondContact CB-OD1 3.38Å; S80-D94 PolarHBondContact OG-OD1 3.37Å |
| 81 | V | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.4 | -176.8 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | F41 K42 I43 L79 V92 L93 L383 | F41-V81 HydrophobicContact CD1-CG1 3.63Å; F41-V81 HydrophobicContact CE1-CG1 3.78Å; K42-V81 CarbonylContact O-C 3.59Å; I43-V81 HydrophobicContact CG1-CG2 4.44Å; L79-V81 HydrophobicContact CB-CG2 4.44Å; V81-V92 CarbonylContact O-C 3.58Å; V81-V92 WeakPolarHBondContact O-CA 3.38Å; V81-L93 PolarHBondContact N-O 2.81Å; V81-L93 PolarHBondContact O-N 3.14Å; V81-L383 HydrophobicContact CB-CD1 4.32Å; V81-L383 HydrophobicContact CG2-CD1 4.31Å; V81-L383 HydrophobicContact CG2-CD2 4.37Å |
| 82 | R | 92.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.8 | 171 | -176.8 | 179.1 | -63.4 | -173.3 | -2 | 109.6 | K42 Q44 V92 | K42-R82 PolarHBondContact N-O 3.22Å; K42-R82 PolarHBondContact O-N 3.38Å; Q44-R82 VanDerWaalsContact CD-NH2 3.29Å; R82-V92 HydrophobicContact CB-CG2 4.34Å; R82-V92 HydrophobicContact CG-CG2 4.38Å |
| 83 | V | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 109 | V39 E40 F41 L90 G91 L93 L376 F379 | V39-V83 HydrophobicContact CG1-CG1 4.15Å; E40-V83 WeakPolarHBondContact O-CA 3.41Å; F41-V83 HydrophobicContact CD2-CG1 4.45Å; F41-V83 HydrophobicContact CE1-CG2 3.96Å; F41-V83 HydrophobicContact CE2-CB 4.26Å; F41-V83 HydrophobicContact CE2-CG1 3.65Å; F41-V83 HydrophobicContact CE2-CG2 3.75Å; F41-V83 HydrophobicContact CZ-CB 4.33Å; F41-V83 HydrophobicContact CZ-CG1 4.08Å; F41-V83 HydrophobicContact CZ-CG2 3.35Å; V83-L90 HydrophobicContact CG1-CB 4.41Å; V83-L90 WeakPolarHBondContact O-CB 3.45Å; V83-L90 PolarHBondContact O-N 3.38Å; V83-G91 PolarHBondContact N-O 3.38Å; V83-G91 PolarHBondContact O-N 3.17Å; V83-L93 HydrophobicContact CG2-CD1 4.23Å; V83-L376 HydrophobicContact CB-CD1 4.11Å; V83-L376 HydrophobicContact CG2-CD1 4.17Å; V83-F379 HydrophobicContact CG1-CD2 3.89Å; V83-F379 HydrophobicContact CG1-CE2 3.85Å |
| 84 | S | 90.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.8 | 174.3 | -3.9 | 0 | 0 | 0 | 0 | 109.7 | V39 E40 S88 | V39-S84 CarbonylContact C-O 3.59Å; V39-S84 WeakPolarHBondContact CA-O 3.26Å; E40-S84 PolarHBondContact N-O 2.69Å; E40-S84 PolarHBondContact O-N 3.49Å; E40-S84 PolarHBondContact OE2-OG 3.08Å; S84-S88 CarbonylContact C-O 3.56Å; S84-S88 WeakPolarHBondContact CA-O 3.27Å |
| 85 | V | 87 | Confident | 90.1 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | D37 V38 V39 G87 S88 L90 I374 | D37-V85 HydrophobicContact CB-CG1 3.81Å; V38-V85 CarbonylContact O-C 3.45Å; V38-V85 WeakPolarHBondContact O-CA 3.17Å; V39-V85 HydrophobicContact CG1-CG2 4.21Å; V39-V85 HydrophobicContact CG2-CG2 4.13Å; V85-G87 PolarHBondContact O-N 3.17Å; V85-S88 PolarHBondContact N-O 3.46Å; V85-S88 PolarHBondContact O-N 2.74Å; V85-L90 HydrophobicContact CB-CD1 3.78Å; V85-L90 HydrophobicContact CG2-CD1 3.29Å; V85-I374 HydrophobicContact CG2-CG2 4.38Å |
| 86 | N | 84.6 | Confident | 90 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.8 | -176.6 | -57.9 | -31.5 | 0 | 0 | 0 | 112.4 | D37 V38 S88 | D37-N86 WeakPolarHBondContact CA-OD1 3.49Å; D37-N86 PolarHBondContact OD1-ND2 2.79Å; V38-N86 PolarHBondContact N-OD1 3.17Å; V38-N86 PolarHBondContact O-N 2.63Å; N86-S88 PolarHBondContact O-N 2.93Å |
| 87 | G | 80.3 | Confident | 89.9 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V85 | V85-G87 PolarHBondContact O-N 3.17Š|
| 88 | S | 84.8 | Confident | 89.7 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.8 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | S84 V85 N86 L90 | S84-S88 CarbonylContact C-O 3.56Å; S84-S88 WeakPolarHBondContact CA-O 3.27Å; V85-S88 PolarHBondContact N-O 3.46Å; V85-S88 PolarHBondContact O-N 2.74Å; N86-S88 PolarHBondContact O-N 2.93Å; S88-L90 PolarHBondContact O-N 3.25Å |
| 89 | P | 85.7 | Confident | 89.7 | Confident | 103 Ų | 103 | 44.4 Ų | 44.4 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.3 | 178.8 | 27.3 | -32.4 | 0 | 0 | 0 | 110.1 | ||
| 90 | L | 85.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -27.5 | 177.8 | -139.5 | 131.3 | 0 | 0 | 0 | 111.6 | V83 V85 S88 L376 | V83-L90 HydrophobicContact CG1-CB 4.41Å; V83-L90 WeakPolarHBondContact O-CB 3.45Å; V83-L90 PolarHBondContact O-N 3.38Å; V85-L90 HydrophobicContact CB-CD1 3.78Å; V85-L90 HydrophobicContact CG2-CD1 3.29Å; S88-L90 PolarHBondContact O-N 3.25Å; L90-L376 HydrophobicContact CD2-CB 3.73Å; L90-L376 HydrophobicContact CD2-CD1 4.19Å |
| 91 | G | 89.5 | Confident | 89.8 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V83 | V83-G91 PolarHBondContact N-O 3.38Å; V83-G91 PolarHBondContact O-N 3.17Å |
| 92 | V | 91.4 | Very high | 90 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.3 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | V81 R82 | V81-V92 CarbonylContact O-C 3.58Å; V81-V92 WeakPolarHBondContact O-CA 3.38Å; R82-V92 HydrophobicContact CB-CG2 4.34Å; R82-V92 HydrophobicContact CG-CG2 4.38Å |
| 93 | L | 91.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.3 | -179.6 | -67.9 | 169.7 | 0 | 0 | 0 | 110.3 | S80 V81 V83 V95 L376 F379 H380 L383 | S80-L93 CarbonylContact C-O 3.35Å; S80-L93 WeakPolarHBondContact CA-O 3.26Å; V81-L93 PolarHBondContact N-O 2.81Å; V81-L93 PolarHBondContact O-N 3.14Å; V83-L93 HydrophobicContact CG2-CD1 4.23Å; L93-V95 HydrophobicContact CB-CG2 4.31Å; L93-L376 HydrophobicContact CD1-CD1 3.84Å; L93-L376 HydrophobicContact CD1-CG 4.06Å; L93-L376 HydrophobicContact CD2-CD1 4.23Å; L93-L376 HydrophobicContact CD2-CD2 3.93Å; L93-L376 HydrophobicContact CD2-CG 3.77Å; L93-L376 HydrophobicContact CG-CD1 3.87Å; L93-L376 HydrophobicContact CG-CD2 4.41Å; L93-L376 HydrophobicContact CG-CG 3.99Å; L93-F379 HydrophobicContact CD1-CB 4Å; L93-H380 HydrophobicContact CD1-CB 4.13Å; L93-H380 HydrophobicContact CD2-CB 3.92Å; L93-L383 HydrophobicContact CB-CD1 4.45Å; L93-L383 HydrophobicContact CD1-CD1 4Å |
| 94 | D | 91.2 | Very high | 90.4 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 57% | 0.572 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.8 | 171.9 | -65.3 | -35.2 | 0 | 0 | 0 | 109.6 | S80 | S80-D94 WeakPolarHBondContact CB-OD1 3.38Å; S80-D94 PolarHBondContact OG-OD1 3.37Å |
| 95 | V | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123 | -172.9 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | L79 L93 L383 L384 A387 | L79-V95 PolarHBondContact N-O 3.36Å; L79-V95 PolarHBondContact O-N 3.35Å; L93-V95 HydrophobicContact CB-CG2 4.31Å; V95-L383 HydrophobicContact CG1-CB 4.22Å; V95-L383 HydrophobicContact CG2-CB 3.94Å; V95-L383 HydrophobicContact CG2-CD1 4.04Å; V95-L384 HydrophobicContact CG1-CD2 4Å; V95-L384 HydrophobicContact CG1-CG 4.45Å; V95-A387 HydrophobicContact CG1-CB 3.62Å |
| 96 | P | 91.5 | Very high | 91 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.5 | 171.2 | 29.8 | -32.6 | 0 | 0 | 0 | 110.2 | E76 | E76-P96 HydrophobicContact CG-CB 4.47Å |
| 97 | C | 91 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 9.6 | -177.8 | -70.5 | 0 | 0 | 0 | 0 | 113.7 | L77 L79 A387 S391 | L77-C97 HydrophobicContact CB-CB 4.06Å; L77-C97 HydrophobicContact CD2-CB 3.68Å; L77-C97 HydrophobicContact CG-CB 3.81Å; L77-C97 PolarHBondContact O-N 2.91Å; L79-C97 WeakPolarHBondContact CD1-SG 3.47Å; L79-C97 WeakPolarHBondContact CG-SG 3.43Å; C97-A387 HydrophobicContact CB-CB 4.46Å; C97-A387 WeakPolarHBondContact CB-O 3.48Å; C97-S391 WeakPolarHBondContact O-CB 3.44Å; C97-S391 PolarHBondContact O-OG 2.96Å |
| 98 | G | 90.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -163.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L77 | L77-G98 PolarHBondContact N-O 3.45Å |
| 99 | V | 92.6 | Very high | 92.4 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 42% | 0.424 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.8 | -169.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | G75 S391 | G75-V99 CarbonylContact O-C 3.55Å; G75-V99 WeakPolarHBondContact O-CA 3.29Å; V99-S391 WeakPolarHBondContact O-CB 3.28Å |
| 100 | L | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124 | 174.3 | -172.5 | 71.2 | 0 | 0 | 0 | 110 | F15 V48 G74 G75 L77 I102 Y344 M394 | F15-L100 HydrophobicContact CE1-CD2 4.2Å; F15-L100 HydrophobicContact CZ-CD2 3.99Å; V48-L100 HydrophobicContact CG1-CD2 4.29Å; V48-L100 HydrophobicContact CG2-CD2 3.62Å; G74-L100 CarbonylContact C-O 3.41Å; G74-L100 WeakPolarHBondContact CA-O 3.42Å; G75-L100 PolarHBondContact N-O 3.12Å; G75-L100 PolarHBondContact O-N 3.26Å; L77-L100 HydrophobicContact CB-CB 4.26Å; L77-L100 HydrophobicContact CD1-CD2 4.49Å; L100-I102 PolarHBondContact O-N 3.15Å; L100-Y344 HydrophobicContact CD1-CE1 3.73Å; L100-Y344 HydrophobicContact CD2-CE1 3.96Å; L100-Y344 HydrophobicContact CG-CE1 3.88Å; L100-M394 HydrophobicContact CD1-CB 3.63Å; L100-M394 HydrophobicContact CD1-CE 4.41Å; L100-M394 HydrophobicContact CD1-CG 3.55Å |
| 101 | P | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 131.5 | 177.8 | -25.9 | 32.5 | 0 | 0 | 0 | 112.9 | T72 Y73 F133 V135 Y344 V395 | T72-P101 HydrophobicContact CG2-CB 4.4Å; T72-P101 HydrophobicContact CG2-CG 4.01Å; Y73-P101 WeakPolarHBondContact O-CA 3.36Å; P101-F133 HydrophobicContact CB-CD1 3.83Å; P101-F133 HydrophobicContact CB-CE1 4.49Å; P101-V135 HydrophobicContact CB-CG2 4.21Å; P101-V135 HydrophobicContact CG-CG2 4.12Å; P101-Y344 WeakPolarHBondContact CD-OH 3.47Å; P101-Y344 PolarHBondContact O-OH 2.72Å; P101-Y344 VanDerWaalsContact O-OH 3.1Å; P101-V395 HydrophobicContact CG-CG2 3.8Å |
| 102 | I | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -105.7 | 137.5 | 178.4 | -74.1 | 176.1 | 0 | 0 | 0 | 109.7 | F12 V48 P51 Y73 L100 A108 C109 | F12-I102 HydrophobicContact CE1-CG2 4.41Å; V48-I102 HydrophobicContact CG1-CD1 4.04Å; V48-I102 HydrophobicContact CG1-CG1 4.41Å; P51-I102 HydrophobicContact CG-CB 4.45Å; P51-I102 HydrophobicContact CG-CD1 3.75Å; Y73-I102 HydrophobicContact CD1-CB 4.37Å; Y73-I102 HydrophobicContact CE1-CB 4.26Å; Y73-I102 HydrophobicContact CE1-CG2 4.04Å; Y73-I102 PolarHBondContact O-N 2.63Å; L100-I102 PolarHBondContact O-N 3.15Å; I102-A108 HydrophobicContact CD1-CB 4.11Å; I102-A108 HydrophobicContact CG1-CB 4.47Å; I102-A108 HydrophobicContact CG2-CB 3.96Å; I102-C109 HydrophobicContact CG2-CB 4.38Å | ||
| 103 | M | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 130.4 | 177.9 | -174.4 | 177.1 | -74.4 | 0 | 0 | 110.5 | H8 T9 F12 S106 Y132 F133 P340 | H8-M103 HydrophobicContact CB-CE 4.09Å; H8-M103 HydrophobicContact CB-SD 3.94Å; H8-M103 VanDerWaalsContact O-SD 3.36Å; T9-M103 HydrophobicContact CG2-SD 4.26Å; F12-M103 HydrophobicContact CB-CB 4.15Å; F12-M103 HydrophobicContact CB-CE 4.08Å; F12-M103 HydrophobicContact CB-SD 3.75Å; F12-M103 HydrophobicContact CD1-CB 3.83Å; F12-M103 HydrophobicContact CD2-CB 3.95Å; F12-M103 HydrophobicContact CD2-CE 4.29Å; F12-M103 HydrophobicContact CE1-CB 4.17Å; F12-M103 HydrophobicContact CE2-CB 4.3Å; F12-M103 HydrophobicContact CG-CB 3.69Å; F12-M103 HydrophobicContact CG-CE 4.43Å; F12-M103 HydrophobicContact CG-SD 4.31Å; F12-M103 HydrophobicContact CZ-CB 4.39Å; M103-S106 WeakPolarHBondContact O-CB 3.29Å; M103-S106 PolarHBondContact O-N 3.31Å; M103-S106 PolarHBondContact O-OG 2.69Å; M103-Y132 WeakPolarHBondContact CA-O 3.4Å; M103-F133 HydrophobicContact CB-CD1 4.37Å; M103-F133 HydrophobicContact CB-CE1 3.86Å; M103-F133 HydrophobicContact CB-CZ 3.96Å; M103-F133 HydrophobicContact CE-CD2 4.46Å; M103-F133 HydrophobicContact CE-CE2 3.5Å; M103-F133 VanDerWaalsContact CE-CE2 3.5Å; M103-F133 HydrophobicContact CE-CZ 3.6Å; M103-P340 HydrophobicContact CE-CB 4.06Å; M103-P340 HydrophobicContact CE-CG 4.44Å |
| 104 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 138 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | P63 Y73 S106 L111 E128 G130 G131 Y132 I134 | P63-V104 HydrophobicContact CB-CG2 4.35Å; P63-V104 HydrophobicContact CG-CG1 4.37Å; P63-V104 HydrophobicContact CG-CG2 4.39Å; Y73-V104 HydrophobicContact CD1-CG2 4.42Å; V104-S106 PolarHBondContact O-N 3.06Å; V104-L111 HydrophobicContact CG1-CD1 4.23Å; V104-E128 HydrophobicContact CG1-CG 4.4Å; V104-G130 WeakPolarHBondContact O-CA 3.23Å; V104-G131 PolarHBondContact O-N 2.83Å; V104-Y132 HydrophobicContact CB-CE1 4.37Å; V104-Y132 HydrophobicContact CB-CE2 4.38Å; V104-Y132 HydrophobicContact CG1-CE1 4.45Å; V104-Y132 HydrophobicContact CG2-CD2 4.22Å; V104-Y132 HydrophobicContact CG2-CE2 3.89Å; V104-Y132 PolarHBondContact N-O 2.97Å; V104-I134 HydrophobicContact CG2-CD1 4.01Å; V104-I134 HydrophobicContact CG2-CG1 4.4Å |
| 105 | M | 94.9 | Very high | 93 | Very high | 34 Ų | 34 | 31 Ų | 31 | 17% | 0.167 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 7.2 | -172.7 | -59.3 | -63.5 | -71.7 | 0 | 0 | 116.6 | T9 L111 F119 E128 | T9-M105 HydrophobicContact CG2-CB 4.29Å; M105-L111 HydrophobicContact SD-CB 4.03Å; M105-L111 HydrophobicContact SD-CD1 4.42Å; M105-F119 HydrophobicContact CE-CE2 4.06Å; M105-F119 HydrophobicContact CE-CZ 4.05Å; M105-F119 HydrophobicContact SD-CE2 3.81Å; M105-F119 HydrophobicContact SD-CZ 3.92Å; M105-E128 HydrophobicContact CG-CG 4.02Å; M105-E128 HydrophobicContact SD-CG 4.32Å |
| 106 | S | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.7 | 164.9 | 164.6 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | F12 D13 M103 V104 A108 C109 S112 | F12-S106 VanDerWaalsContact CD1-CB 3.49Å; F12-S106 WeakPolarHBondContact CD1-OG 2.84Å; D13-S106 WeakPolarHBondContact OD1-CA 3.45Å; D13-S106 WeakPolarHBondContact OD1-CB 3.32Å; M103-S106 WeakPolarHBondContact O-CB 3.29Å; M103-S106 PolarHBondContact O-N 3.31Å; M103-S106 PolarHBondContact O-OG 2.69Å; V104-S106 PolarHBondContact O-N 3.06Å; S106-A108 PolarHBondContact O-N 3.12Å; S106-A108 VanDerWaalsContact O-N 3.12Å; S106-C109 WeakPolarHBondContact O-CA 3.35Å; S106-C109 WeakPolarHBondContact O-CB 3.36Å; S106-C109 PolarHBondContact O-N 2.93Å; S106-S112 VanDerWaalsContact O-CB 3.22Å; S106-S112 WeakPolarHBondContact O-CB 3.39Å; S106-S112 PolarHBondContact O-OG 3.08Å |
| 107 | R | 92 | Very high | 92.8 | Very high | 172 Ų | 172 | 34.5 Ų | 34.5 | 65% | 0.649 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.4 | 175.6 | -76.3 | 177.4 | -177.9 | -149.1 | -3.1 | 114.4 | D13 C109 S112 | D13-R107 HydrophobicContact CB-CG 4.5Å; D13-R107 WeakPolarHBondContact OD1-CB 3.46Å; D13-R107 PolarHBondContact OD1-N 3.01Å; D13-R107 WeakPolarHBondContact OD2-CG 3.34Å; D13-R107 IonicContact OD2-NE 3.38Å; R107-C109 VanDerWaalsContact C-N 3.31Å; R107-S112 PolarHBondContact O-OG 3.04Å |
| 108 | A | 92.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F12 V16 P51 I102 S106 | F12-A108 HydrophobicContact CE1-CB 4.45Å; V16-A108 HydrophobicContact CG1-CB 4.38Å; V16-A108 HydrophobicContact CG2-CB 4.05Å; P51-A108 WeakPolarHBondContact CD-O 3.43Å; I102-A108 HydrophobicContact CD1-CB 4.11Å; I102-A108 HydrophobicContact CG1-CB 4.47Å; I102-A108 HydrophobicContact CG2-CB 3.96Å; S106-A108 PolarHBondContact O-N 3.12Å; S106-A108 VanDerWaalsContact O-N 3.12Å |
| 109 | C | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -82.7 | 135.1 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | Y73 I102 S106 R107 L111 S112 | Y73-C109 HydrophobicContact CE1-CB 4.48Å; Y73-C109 PolarHBondContact OH-SG 3.32Å; I102-C109 HydrophobicContact CG2-CB 4.38Å; S106-C109 WeakPolarHBondContact O-CA 3.35Å; S106-C109 WeakPolarHBondContact O-CB 3.36Å; S106-C109 PolarHBondContact O-N 2.93Å; R107-C109 VanDerWaalsContact C-N 3.31Å; C109-L111 PolarHBondContact O-N 3.02Å; C109-L111 VanDerWaalsContact O-N 3.15Å; C109-S112 WeakPolarHBondContact O-CB 3.48Å; C109-S112 PolarHBondContact O-N 3.37Å; C109-S112 PolarHBondContact O-OG 3.43Å |
| 110 | N | 94.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -58 | -30.7 | 178 | -66.6 | -23.6 | 0 | 0 | 0 | 112.8 | P51 L61 Y62 Y73 S112 S113 | P51-N110 PolarHBondContact O-ND2 3.12Å; L61-N110 PolarHBondContact O-ND2 2.92Å; Y62-N110 HydrophobicContact CD1-CB 4.42Å; Y62-N110 HydrophobicContact CE1-CB 4.18Å; Y73-N110 PolarHBondContact OH-N 2.76Å; Y73-N110 VanDerWaalsContact OH-N 3.11Å; N110-S112 VanDerWaalsContact C-N 3.29Å; N110-S112 PolarHBondContact O-N 3.4Å; N110-S113 PolarHBondContact O-OG 3.04Å |
| 111 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -65.4 | -27.1 | 176.4 | -61.2 | -178.9 | 0 | 0 | 0 | 114 | Y62 P63 V104 M105 C109 S113 L114 F119 E124 | Y62-L111 HydrophobicContact CD1-CD2 3.87Å; Y62-L111 HydrophobicContact CE1-CD2 4.38Å; P63-L111 HydrophobicContact CG-CD1 3.72Å; P63-L111 HydrophobicContact CG-CG 4.08Å; V104-L111 HydrophobicContact CG1-CD1 4.23Å; M105-L111 HydrophobicContact SD-CB 4.03Å; M105-L111 HydrophobicContact SD-CD1 4.42Å; C109-L111 PolarHBondContact O-N 3.02Å; C109-L111 VanDerWaalsContact O-N 3.15Å; L111-S113 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 3.44Å; L111-F119 HydrophobicContact CB-CE1 4.39Å; L111-F119 HydrophobicContact CB-CZ 4.11Å; L111-F119 WeakPolarHBondContact O-CE1 3.42Å; L111-F119 WeakPolarHBondContact O-CZ 3.39Å; L111-E124 HydrophobicContact CD1-CG 3.85Å; L111-E124 HydrophobicContact CD2-CG 3.93Å |
| 112 | S | 90.7 | Very high | 92.4 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -67.4 | -23.9 | -175.2 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | S106 R107 C109 N110 | S106-S112 VanDerWaalsContact O-CB 3.22Å; S106-S112 WeakPolarHBondContact O-CB 3.39Å; S106-S112 PolarHBondContact O-OG 3.08Å; R107-S112 PolarHBondContact O-OG 3.04Å; C109-S112 WeakPolarHBondContact O-CB 3.48Å; C109-S112 PolarHBondContact O-N 3.37Å; C109-S112 PolarHBondContact O-OG 3.43Å; N110-S112 VanDerWaalsContact C-N 3.29Å; N110-S112 PolarHBondContact O-N 3.4Å |
| 113 | S | 86.1 | Confident | 92 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 67% | 0.671 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -86.6 | -16.1 | 178.5 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | N110 L111 | N110-S113 PolarHBondContact O-OG 3.04Å; L111-S113 PolarHBondContact O-N 3.49Å |
| 114 | L | 90.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -92.5 | 144.5 | -175.1 | -67.8 | 175.8 | 0 | 0 | 0 | 111.3 | Y62 L111 F119 | Y62-L114 HydrophobicContact CE1-CD1 3.71Å; L111-L114 PolarHBondContact O-N 3.44Å; L114-F119 HydrophobicContact CB-CD1 4.49Å; L114-F119 HydrophobicContact CB-CE1 4.07Å |
| 115 | P | 92.3 | Very high | 91.5 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | trans | -65.1 | 139.1 | 168.8 | 29 | -33.4 | 0 | 0 | 0 | 109.7 | S117 Q118 | P115-S117 PolarHBondContact O-N 3.32Å; P115-S117 VanDerWaalsContact O-N 3.08Å; P115-Q118 HydrophobicContact CG-CB 4.3Å; P115-Q118 VanDerWaalsContact CG-CD 3.48Å; P115-Q118 HydrophobicContact CG-CG 3.85Å; P115-Q118 PolarHBondContact O-N 3.06Å | ||
| 116 | R | 89.5 | Confident | 91.2 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55.8 | -29.5 | -179 | -70.3 | 180 | 170.1 | -115.9 | -17.5 | 113.9 | E2 Q118 F119 F126 E128 | E2-R116 IonicContact OE1-CZ 2.75Å; E2-R116 IonicContact OE1-NE 2.75Å; E2-R116 PolarHBondContact OE1-NE 3.42Å; E2-R116 IonicContact OE1-NH1 3.37Å; E2-R116 PolarHBondContact OE1-NH1 3.22Å; E2-R116 VanDerWaalsContact OE1-NH1 3.14Å; E2-R116 IonicContact OE1-NH2 2.76Å; E2-R116 PolarHBondContact OE1-NH2 3.19Å; E2-R116 IonicContact OE2-NH2 3.07Å; R116-Q118 PolarHBondContact O-N 3.48Å; R116-Q118 VanDerWaalsContact O-N 3.16Å; R116-F119 HydrophobicContact CG-CE1 4.44Å; R116-F119 HydrophobicContact CG-CE2 4.17Å; R116-F119 HydrophobicContact CG-CZ 4.06Å; R116-F119 WeakPolarHBondContact O-CB 3.3Å; R116-F119 PolarHBondContact O-N 2.9Å; R116-F119 VanDerWaalsContact O-N 3.12Å; R116-F126 HydrophobicContact CB-CD2 4.34Å; R116-F126 HydrophobicContact CB-CE2 4.11Å; R116-F126 WeakPolarHBondContact O-CD2 3.08Å; R116-E128 PolarHBondContact NH2-O 3.33Å |
| 117 | S | 89.7 | Confident | 90.9 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 49% | 0.49 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -60.8 | -19.8 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | P115 Y120 | P115-S117 PolarHBondContact O-N 3.32Å; P115-S117 VanDerWaalsContact O-N 3.08Å; S117-Y120 WeakPolarHBondContact O-CD1 3.35Å; S117-Y120 WeakPolarHBondContact O-CE1 3.44Å |
| 118 | Q | 91.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -95.5 | -4.3 | 178 | -69 | 176.3 | -3.7 | 0 | 0 | 113.4 | P115 R116 Y120 L121 | P115-Q118 HydrophobicContact CG-CB 4.3Å; P115-Q118 VanDerWaalsContact CG-CD 3.48Å; P115-Q118 HydrophobicContact CG-CG 3.85Å; P115-Q118 PolarHBondContact O-N 3.06Å; R116-Q118 PolarHBondContact O-N 3.48Å; R116-Q118 VanDerWaalsContact O-N 3.16Å; Q118-Y120 PolarHBondContact O-N 3.17Å; Q118-L121 HydrophobicContact CB-CD1 4.21Å; Q118-L121 HydrophobicContact CG-CD1 4.2Å; Q118-L121 VanDerWaalsContact O-CB 3.32Å; Q118-L121 WeakPolarHBondContact O-CB 3.43Å; Q118-L121 PolarHBondContact O-N 3.48Å |
| 119 | F | 93.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -60.2 | -35 | -175 | -78.7 | 19.8 | 0 | 0 | 0 | 112.3 | M105 L111 L114 R116 L121 H122 G123 E124 E125 E128 | M105-F119 HydrophobicContact CE-CE2 4.06Å; M105-F119 HydrophobicContact CE-CZ 4.05Å; M105-F119 HydrophobicContact SD-CE2 3.81Å; M105-F119 HydrophobicContact SD-CZ 3.92Å; L111-F119 HydrophobicContact CB-CE1 4.39Å; L111-F119 HydrophobicContact CB-CZ 4.11Å; L111-F119 WeakPolarHBondContact O-CE1 3.42Å; L111-F119 WeakPolarHBondContact O-CZ 3.39Å; L114-F119 HydrophobicContact CB-CD1 4.49Å; L114-F119 HydrophobicContact CB-CE1 4.07Å; R116-F119 HydrophobicContact CG-CE1 4.44Å; R116-F119 HydrophobicContact CG-CE2 4.17Å; R116-F119 HydrophobicContact CG-CZ 4.06Å; R116-F119 WeakPolarHBondContact O-CB 3.3Å; R116-F119 PolarHBondContact O-N 2.9Å; R116-F119 VanDerWaalsContact O-N 3.12Å; F119-L121 PolarHBondContact O-N 3.14Å; F119-H122 CarbonylContact O-C 3.36Å; F119-H122 PolarHBondContact O-N 3.37Å; F119-G123 PolarHBondContact O-N 3.44Å; F119-E124 CarbonylContact C-O 3.5Å; F119-E124 HydrophobicContact CB-CB 4Å; F119-E124 HydrophobicContact CD2-CB 4.46Å; F119-E124 HydrophobicContact CG-CB 4.47Å; F119-E124 PolarHBondContact O-N 3.26Å; F119-E125 WeakPolarHBondContact CD2-O 3.33Å; F119-E128 HydrophobicContact CD2-CB 4.24Å; F119-E128 HydrophobicContact CE2-CB 4.21Å |
| 120 | Y | 89.6 | Confident | 90.7 | Very high | 163 Ų | 163 | 46.8 Ų | 46.8 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -62.6 | -30.7 | 177.8 | 76.9 | -95 | 0 | 0 | 0 | 112.9 | S117 Q118 H122 G123 | S117-Y120 WeakPolarHBondContact O-CD1 3.35Å; S117-Y120 WeakPolarHBondContact O-CE1 3.44Å; Q118-Y120 PolarHBondContact O-N 3.17Å; Y120-H122 PolarHBondContact O-N 3.27Å; Y120-G123 PolarHBondContact O-N 3.09Å; Y120-G123 VanDerWaalsContact O-N 3.09Å |
| 121 | L | 90.6 | Very high | 90.7 | Very high | 107 Ų | 107 | 46.1 Ų | 46.1 | 56% | 0.56 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -65.3 | -29.1 | 177.2 | -63.7 | 171.2 | 0 | 0 | 0 | 111.5 | Q118 F119 | Q118-L121 HydrophobicContact CB-CD1 4.21Å; Q118-L121 HydrophobicContact CG-CD1 4.2Å; Q118-L121 VanDerWaalsContact O-CB 3.32Å; Q118-L121 WeakPolarHBondContact O-CB 3.43Å; Q118-L121 PolarHBondContact O-N 3.48Å; F119-L121 PolarHBondContact O-N 3.14Å |
| 122 | H | 90.7 | Very high | 90.9 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -97.9 | 13.9 | 176.9 | -60.3 | -72.8 | 0 | 0 | 0 | 112.4 | Y62 S64 F119 Y120 E124 | Y62-H122 HydrophobicContact CD1-CB 4.05Å; Y62-H122 AromaticContact CD1-CG 3.92Å; Y62-H122 AromaticContact CD1-ND1 3.93Å; Y62-H122 AromaticContact CD2-ND1 3.54Å; Y62-H122 HydrophobicContact CE1-CB 4.44Å; Y62-H122 AromaticContact CE1-CE1 3.91Å; Y62-H122 AromaticContact CE1-CG 3.83Å; Y62-H122 AromaticContact CE1-ND1 3.67Å; Y62-H122 AromaticContact CE2-CE1 3.52Å; Y62-H122 AromaticContact CE2-ND1 3.25Å; Y62-H122 VanDerWaalsContact CE2-ND1 3.25Å; Y62-H122 WeakPolarHBondContact CE2-ND1 3.38Å; Y62-H122 HydrophobicContact CG-CB 4.13Å; Y62-H122 AromaticContact CG-ND1 3.87Å; Y62-H122 AromaticContact CZ-CE1 3.31Å; Y62-H122 AromaticContact CZ-CG 3.96Å; Y62-H122 AromaticContact CZ-ND1 3.32Å; Y62-H122 VanDerWaalsContact CZ-ND1 3.32Å; Y62-H122 AromaticContact CZ-NE2 3.93Å; Y62-H122 PolarHBondContact OH-CE1 2.77Å; S64-H122 WeakPolarHBondContact CB-O 3.43Å; S64-H122 PolarHBondContact OG-O 3.22Å; F119-H122 CarbonylContact O-C 3.36Å; F119-H122 PolarHBondContact O-N 3.37Å; Y120-H122 PolarHBondContact O-N 3.27Å; H122-E124 PolarHBondContact O-N 3.27Å |
| 123 | G | 88.8 | Confident | 91.2 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 18.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F119 Y120 N693 | F119-G123 PolarHBondContact O-N 3.44Å; Y120-G123 PolarHBondContact O-N 3.09Å; Y120-G123 VanDerWaalsContact O-N 3.09Å; G123-N693 WeakPolarHBondContact CA-ND2 3.19Å |
| 124 | E | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | trans | -99.8 | 161 | 177.8 | -64.7 | -61.5 | 160.4 | 0 | 0 | 112.5 | P63 S64 R67 L111 F119 H122 | P63-E124 WeakPolarHBondContact CB-OE1 3.48Å; S64-E124 WeakPolarHBondContact CA-OE1 3.48Å; S64-E124 VanDerWaalsContact CB-OE1 3.24Å; S64-E124 WeakPolarHBondContact CB-OE1 3.21Å; S64-E124 PolarHBondContact N-OE1 2.94Å; R67-E124 IonicContact CZ-OE1 3.66Å; R67-E124 IonicContact CZ-OE2 3.7Å; R67-E124 IonicContact NH1-OE1 2.74Å; R67-E124 PolarHBondContact NH1-OE1 3.35Å; R67-E124 IonicContact NH1-OE2 3.71Å; R67-E124 PolarHBondContact NH1-OE2 2.95Å; R67-E124 IonicContact NH2-OE1 3.33Å; R67-E124 PolarHBondContact NH2-OE1 3.23Å; R67-E124 IonicContact NH2-OE2 2.86Å; R67-E124 PolarHBondContact NH2-OE2 3.14Å; L111-E124 HydrophobicContact CD1-CG 3.85Å; L111-E124 HydrophobicContact CD2-CG 3.93Å; F119-E124 CarbonylContact C-O 3.5Å; F119-E124 HydrophobicContact CB-CB 4Å; F119-E124 HydrophobicContact CD2-CB 4.46Å; F119-E124 HydrophobicContact CG-CB 4.47Å; F119-E124 PolarHBondContact O-N 3.26Å; H122-E124 PolarHBondContact O-N 3.27Å | ||
| 125 | E | 88.9 | Confident | 91.8 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | trans | -77.1 | 137.6 | -179.3 | -178.3 | 61.6 | -125.9 | 0 | 0 | 111.8 | F119 K127 E128 Y689 H722 Y723 | F119-E125 WeakPolarHBondContact CD2-O 3.33Å; E125-K127 PolarHBondContact O-N 3.29Å; E125-E128 HydrophobicContact CB-CB 4.42Å; E125-E128 WeakPolarHBondContact O-CB 3.42Å; E125-E128 PolarHBondContact O-N 3.3Å; E125-E128 VanDerWaalsContact O-N 3.08Å; E125-Y689 WeakPolarHBondContact OE1-CD2 3.28Å; E125-Y689 WeakPolarHBondContact OE2-CB 3.19Å; E125-Y689 PolarHBondContact OE2-N 3.44Å; E125-H722 IonicContact OE1-NE2 3.98Å; E125-H722 PolarHBondContact OE1-NE2 3.14Å; E125-Y723 VanDerWaalsContact CG-OH 3.24Å; E125-Y723 WeakPolarHBondContact CG-OH 3.35Å | ||
| 126 | F | 88.1 | Confident | 91.7 | Very high | 107 Ų | 107 | 39.6 Ų | 39.6 | 47% | 0.469 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.4 | 179.4 | 176 | -107.2 | 0 | 0 | 0 | 113 | R116 | R116-F126 HydrophobicContact CB-CD2 4.34Å; R116-F126 HydrophobicContact CB-CE2 4.11Å; R116-F126 WeakPolarHBondContact O-CD2 3.08Å |
| 127 | K | 88.8 | Confident | 91.6 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 34.7 | 176.7 | -65.8 | -174.3 | -178.6 | 154.5 | 0 | 113.3 | M1 E125 I129 D719 H722 | M1-K127 HydrophobicContact CE-CD 4.23Å; M1-K127 HydrophobicContact SD-CB 4.47Å; M1-K127 HydrophobicContact SD-CD 4.3Å; E125-K127 PolarHBondContact O-N 3.29Å; K127-I129 PolarHBondContact O-N 3.41Å; K127-D719 IonicContact NZ-OD2 3.32Å; K127-D719 PolarHBondContact NZ-OD2 3.3Å; K127-H722 HydrophobicContact CD-CB 4.19Å; K127-H722 PolarHBondContact NZ-ND1 2.75Å |
| 128 | E | 91.5 | Very high | 91.6 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | trans | -53.4 | 128.4 | 173 | -176.6 | 53.5 | -101.2 | 0 | 0 | 110.9 | R67 V104 M105 R116 F119 E125 G130 Y132 | R67-E128 IonicContact NH2-OE2 3.25Å; V104-E128 HydrophobicContact CG1-CG 4.4Å; M105-E128 HydrophobicContact CG-CG 4.02Å; M105-E128 HydrophobicContact SD-CG 4.32Å; R116-E128 PolarHBondContact NH2-O 3.33Å; F119-E128 HydrophobicContact CD2-CB 4.24Å; F119-E128 HydrophobicContact CE2-CB 4.21Å; E125-E128 HydrophobicContact CB-CB 4.42Å; E125-E128 WeakPolarHBondContact O-CB 3.42Å; E125-E128 PolarHBondContact O-N 3.3Å; E125-E128 VanDerWaalsContact O-N 3.08Å; E128-G130 PolarHBondContact OE1-N 3.29Å; E128-Y132 PolarHBondContact OE2-OH 2.9Å | ||
| 129 | I | 91.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | trans | -97.4 | -27.4 | -178.7 | 62.2 | 172.4 | 0 | 0 | 0 | 111.5 | M1 S5 K127 F431 F434 F438 | M1-I129 HydrophobicContact CB-CG2 3.9Å; S5-I129 PolarHBondContact OG-O 3.44Å; K127-I129 PolarHBondContact O-N 3.41Å; I129-F431 HydrophobicContact CD1-CE2 4.5Å; I129-F434 HydrophobicContact CD1-CD1 3.83Å; I129-F434 HydrophobicContact CD1-CE1 3.48Å; I129-F434 VanDerWaalsContact CD1-CE1 3.48Å; I129-F434 HydrophobicContact CD1-CZ 4.38Å; I129-F434 HydrophobicContact CG1-CD1 4.42Å; I129-F434 HydrophobicContact CG1-CE1 3.62Å; I129-F434 HydrophobicContact CG1-CZ 4.35Å; I129-F438 HydrophobicContact CD1-CD2 3.82Å; I129-F438 HydrophobicContact CD1-CE2 3.53Å; I129-F438 HydrophobicContact CD1-CZ 4.36Å; I129-F438 HydrophobicContact CG1-CE2 4.33Å | ||
| 130 | G | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 58.5 | -154.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S5 V104 E128 F438 | S5-G130 WeakPolarHBondContact CB-O 3.47Å; V104-G130 WeakPolarHBondContact O-CA 3.23Å; E128-G130 PolarHBondContact OE1-N 3.29Å; G130-F438 WeakPolarHBondContact O-CE1 3.49Å; G130-F438 WeakPolarHBondContact O-CZ 3.47Å | ||
| 131 | G | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 89.6 | 6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V104 | V104-G131 PolarHBondContact O-N 2.83Š| ||
| 132 | Y | 96.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | trans | -126.1 | 170 | -179.8 | 65.2 | -90.6 | 0 | 0 | 0 | 111 | R67 M103 V104 E128 I134 E139 R140 F434 F438 | R67-Y132 PolarHBondContact NH2-OH 3.48Å; M103-Y132 WeakPolarHBondContact CA-O 3.4Å; V104-Y132 HydrophobicContact CB-CE1 4.37Å; V104-Y132 HydrophobicContact CB-CE2 4.38Å; V104-Y132 HydrophobicContact CG1-CE1 4.45Å; V104-Y132 HydrophobicContact CG2-CD2 4.22Å; V104-Y132 HydrophobicContact CG2-CE2 3.89Å; V104-Y132 PolarHBondContact N-O 2.97Å; E128-Y132 PolarHBondContact OE2-OH 2.9Å; Y132-I134 HydrophobicContact CD2-CG1 4.4Å; Y132-I134 HydrophobicContact CE2-CD1 4.32Å; Y132-I134 HydrophobicContact CE2-CG1 3.98Å; Y132-E139 HydrophobicContact CD2-CB 3.97Å; Y132-E139 HydrophobicContact CD2-CG 3.88Å; Y132-E139 HydrophobicContact CE2-CB 4.13Å; Y132-E139 HydrophobicContact CE2-CG 3.53Å; Y132-E139 WeakPolarHBondContact CE2-OE1 3.46Å; Y132-E139 VanDerWaalsContact CZ-OE1 3.31Å; Y132-E139 PolarHBondContact OH-OE1 2.87Å; Y132-R140 WeakPolarHBondContact CB-O 3.34Å; Y132-F434 HydrophobicContact CD1-CE2 4.22Å; Y132-F434 AromaticContact CD1-CZ 3.78Å; Y132-F434 HydrophobicContact CD1-CZ 3.78Å; Y132-F434 HydrophobicContact CE1-CE2 4.35Å; Y132-F434 AromaticContact CE1-CZ 3.66Å; Y132-F434 HydrophobicContact CE1-CZ 3.66Å; Y132-F438 HydrophobicContact CD1-CE1 4.42Å; Y132-F438 AromaticContact CD1-CZ 3.99Å; Y132-F438 HydrophobicContact CD1-CZ 3.99Å | ||
| 133 | F | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.4 | 178.9 | -62.6 | -90.3 | 0 | 0 | 0 | 110.6 | F12 P101 M103 V135 E139 R140 L142 Y344 V398 | F12-F133 HydrophobicContact CD2-CE1 4.19Å; F12-F133 AromaticContact CD2-CZ 3.91Å; F12-F133 HydrophobicContact CD2-CZ 3.91Å; F12-F133 AromaticContact CE2-CE1 3.69Å; F12-F133 HydrophobicContact CE2-CE1 3.69Å; F12-F133 AromaticContact CE2-CZ 3.82Å; F12-F133 HydrophobicContact CE2-CZ 3.82Å; F12-F133 HydrophobicContact CZ-CE1 4.27Å; P101-F133 HydrophobicContact CB-CD1 3.83Å; P101-F133 HydrophobicContact CB-CE1 4.49Å; M103-F133 HydrophobicContact CB-CD1 4.37Å; M103-F133 HydrophobicContact CB-CE1 3.86Å; M103-F133 HydrophobicContact CB-CZ 3.96Å; M103-F133 HydrophobicContact CE-CD2 4.46Å; M103-F133 HydrophobicContact CE-CE2 3.5Å; M103-F133 VanDerWaalsContact CE-CE2 3.5Å; M103-F133 HydrophobicContact CE-CZ 3.6Å; F133-V135 HydrophobicContact CB-CG2 4.38Å; F133-E139 CarbonylContact O-C 3.54Å; F133-E139 WeakPolarHBondContact O-CA 3.3Å; F133-R140 PolarHBondContact N-O 3.33Å; F133-R140 PolarHBondContact O-N 2.81Å; F133-L142 HydrophobicContact CD2-CD1 4.44Å; F133-L142 HydrophobicContact CD2-CG 4.24Å; F133-L142 HydrophobicContact CE2-CD1 3.61Å; F133-L142 HydrophobicContact CE2-CG 3.8Å; F133-L142 HydrophobicContact CZ-CD1 4.1Å; F133-Y344 HydrophobicContact CE1-CE2 4.24Å; F133-Y344 HydrophobicContact CZ-CE2 4.17Å; F133-V398 HydrophobicContact CB-CG1 3.69Å; F133-V398 HydrophobicContact CD2-CG1 4.23Å; F133-V398 HydrophobicContact CG-CG1 4.03Å |
| 134 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.1 | 171.1 | -62.5 | 158.6 | 0 | 0 | 0 | 108.1 | P63 C66 R67 T72 Y73 V104 Y132 K138 E139 | P63-I134 HydrophobicContact CB-CD1 3.52Å; C66-I134 HydrophobicContact CB-CG2 4.03Å; R67-I134 HydrophobicContact CG-CD1 3.89Å; R67-I134 HydrophobicContact CG-CG1 4.35Å; R67-I134 HydrophobicContact CG-CG2 4.35Å; T72-I134 WeakPolarHBondContact CA-O 3.38Å; Y73-I134 PolarHBondContact N-O 2.93Å; V104-I134 HydrophobicContact CG2-CD1 4.01Å; V104-I134 HydrophobicContact CG2-CG1 4.4Å; Y132-I134 HydrophobicContact CD2-CG1 4.4Å; Y132-I134 HydrophobicContact CE2-CD1 4.32Å; Y132-I134 HydrophobicContact CE2-CG1 3.98Å; I134-K138 WeakPolarHBondContact CA-O 3.49Å; I134-E139 HydrophobicContact CG1-CG 4.06Å |
| 135 | V | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121 | -178.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | T72 P101 F133 G137 K138 V395 V398 | T72-V135 HydrophobicContact CG2-CG1 4.42Å; T72-V135 HydrophobicContact CG2-CG2 4.23Å; P101-V135 HydrophobicContact CB-CG2 4.21Å; P101-V135 HydrophobicContact CG-CG2 4.12Å; F133-V135 HydrophobicContact CB-CG2 4.38Å; V135-G137 VanDerWaalsContact C-N 3.28Å; V135-G137 PolarHBondContact O-N 3.32Å; V135-K138 PolarHBondContact N-O 3.48Å; V135-K138 PolarHBondContact O-N 3.22Å; V135-V395 HydrophobicContact CG1-CG1 3.72Å; V135-V398 HydrophobicContact CG2-CB 4.07Å; V135-V398 HydrophobicContact CG2-CG1 3.54Å |
| 136 | H | 89.8 | Confident | 93.2 | Very high | 110 Ų | 110 | 27.3 Ų | 27.3 | 51% | 0.509 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 46.9 | -172.6 | -52.9 | -61 | 0 | 0 | 0 | 112.6 | G70 T72 K138 | G70-H136 CarbonylContact O-C 3.53Å; G70-H136 WeakPolarHBondContact O-CA 3.23Å; T72-H136 PolarHBondContact OG1-N 2.99Å; H136-K138 PolarHBondContact O-N 3.35Å; H136-K138 VanDerWaalsContact O-N 3.08Å |
| 137 | G | 87.1 | Confident | 93.4 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 13% | 0.134 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | -5.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C66 G70 L71 V135 | C66-G137 WeakPolarHBondContact O-CA 3.34Å; G70-G137 PolarHBondContact O-N 2.94Å; L71-G137 PolarHBondContact O-N 3.49Å; V135-G137 VanDerWaalsContact C-N 3.28Å; V135-G137 PolarHBondContact O-N 3.32Å |
| 138 | K | 91.1 | Very high | 93.6 | Very high | 137 Ų | 137 | 21.2 Ų | 21.2 | 60% | 0.596 | 10% | 0.097 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.4 | -175.6 | -63.7 | 176.9 | -174.7 | 175.3 | 0 | 111.5 | I134 V135 H136 | I134-K138 WeakPolarHBondContact CA-O 3.49Å; V135-K138 PolarHBondContact N-O 3.48Å; V135-K138 PolarHBondContact O-N 3.22Å; H136-K138 PolarHBondContact O-N 3.35Å; H136-K138 VanDerWaalsContact O-N 3.08Å |
| 139 | E | 94 | Very high | 93.7 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 5% | 0.051 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.5 | 176.7 | -65.2 | -178.2 | 157.2 | 0 | 0 | 111.6 | R67 Y132 F133 I134 A426 N428 R694 | R67-E139 IonicContact CZ-OE1 3.66Å; R67-E139 IonicContact NE-OE1 2.88Å; R67-E139 PolarHBondContact NE-OE1 3.4Å; R67-E139 IonicContact NH2-OE1 3.54Å; Y132-E139 HydrophobicContact CD2-CB 3.97Å; Y132-E139 HydrophobicContact CD2-CG 3.88Å; Y132-E139 HydrophobicContact CE2-CB 4.13Å; Y132-E139 HydrophobicContact CE2-CG 3.53Å; Y132-E139 WeakPolarHBondContact CE2-OE1 3.46Å; Y132-E139 VanDerWaalsContact CZ-OE1 3.31Å; Y132-E139 PolarHBondContact OH-OE1 2.87Å; F133-E139 CarbonylContact O-C 3.54Å; F133-E139 WeakPolarHBondContact O-CA 3.3Å; I134-E139 HydrophobicContact CG1-CG 4.06Å; E139-A426 HydrophobicContact CB-CB 3.62Å; E139-A426 PolarHBondContact O-N 3.2Å; E139-N428 PolarHBondContact OE2-ND2 2.81Å; E139-R694 IonicContact OE1-CZ 2.65Å; E139-R694 IonicContact OE1-NH1 3.24Å; E139-R694 PolarHBondContact OE1-NH1 2.98Å; E139-R694 IonicContact OE1-NH2 3.72Å; E139-R694 PolarHBondContact OE1-NH2 2.88Å; E139-R694 VanDerWaalsContact OE1-NH2 3.12Å; E139-R694 IonicContact OE2-CZ 3.8Å; E139-R694 IonicContact OE2-NH1 2.99Å; E139-R694 IonicContact OE2-NH2 3.76Å; E139-R694 PolarHBondContact OE2-NH2 3.27Å |
| 140 | R | 95.8 | Very high | 93.9 | Very high | 53 Ų | 53 | 20.6 Ų | 20.6 | 20% | 0.2 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.4 | -174.2 | -67.6 | -67.9 | -178.4 | 154.3 | 4.3 | 110.8 | Y132 F133 V398 S399 V424 | Y132-R140 WeakPolarHBondContact CB-O 3.34Å; F133-R140 PolarHBondContact N-O 3.33Å; F133-R140 PolarHBondContact O-N 2.81Å; R140-V398 HydrophobicContact CB-CG1 3.79Å; R140-V398 HydrophobicContact CG-CG1 4.37Å; R140-S399 PolarHBondContact NE-O 3.18Å; R140-S399 PolarHBondContact NH1-O 3.26Å; R140-S399 VanDerWaalsContact NH1-O 3.09Å; R140-S399 PolarHBondContact NH2-O 3.3Å; R140-V424 CarbonylContact C-O 3.59Å; R140-V424 VanDerWaalsContact CA-O 3.32Å; R140-V424 WeakPolarHBondContact CA-O 3.41Å |
| 141 | V | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.3 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | S423 V424 A426 F438 | V141-S423 CarbonylContact O-C 3.59Å; V141-S423 WeakPolarHBondContact O-CA 3.48Å; V141-V424 HydrophobicContact CB-CG2 4.22Å; V141-V424 PolarHBondContact N-O 3.3Å; V141-V424 PolarHBondContact O-N 2.94Å; V141-A426 HydrophobicContact CG2-CB 4Å; V141-F438 HydrophobicContact CG1-CD1 4.21Å; V141-F438 HydrophobicContact CG1-CE1 4.17Å; V141-F438 HydrophobicContact CG2-CE1 4.01Å; V141-F438 HydrophobicContact CG2-CZ 4.23Å |
| 142 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.8 | 168.2 | -68.7 | -179.2 | 0 | 0 | 0 | 108.8 | H8 F133 P340 L343 Y344 V398 | H8-L142 PolarHBondContact CE1-O 2.86Å; H8-L142 VanDerWaalsContact CE1-O 3.28Å; F133-L142 HydrophobicContact CD2-CD1 4.44Å; F133-L142 HydrophobicContact CD2-CG 4.24Å; F133-L142 HydrophobicContact CE2-CD1 3.61Å; F133-L142 HydrophobicContact CE2-CG 3.8Å; F133-L142 HydrophobicContact CZ-CD1 4.1Å; L142-P340 HydrophobicContact CB-CB 4.07Å; L142-P340 HydrophobicContact CB-CG 4.28Å; L142-P340 HydrophobicContact CD1-CB 4.08Å; L142-L343 HydrophobicContact CD2-CD2 4.48Å; L142-Y344 HydrophobicContact CD1-CD2 4Å; L142-Y344 HydrophobicContact CD1-CE2 4.38Å; L142-V398 HydrophobicContact CD2-CG2 4.42Å |
| 143 | R | 94.1 | Very high | 94 | Very high | 71 Ų | 71 | 21.2 Ų | 21.2 | 27% | 0.268 | 10% | 0.097 | S | C | . | . | P | Polyproline II helix | trans | -75.3 | 146 | -176 | -71.9 | -177.4 | 166.3 | 175.7 | -3.5 | 111.5 | L422 V424 | R143-L422 PolarHBondContact N-O 3.02Å; R143-V424 HydrophobicContact CG-CG1 4.37Å; R143-V424 HydrophobicContact CG-CG2 3.92Å |
| 144 | L | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.8 | 163.5 | -60 | -179.8 | 0 | 0 | 0 | 109.1 | V7 V337 L339 V441 H442 L483 | V7-L144 HydrophobicContact CG1-CD1 4.28Å; V7-L144 HydrophobicContact CG1-CD2 4.11Å; L144-V337 HydrophobicContact CB-CG1 3.62Å; L144-V337 HydrophobicContact CD1-CG1 4.37Å; L144-V337 HydrophobicContact CD2-CG1 3.93Å; L144-V337 HydrophobicContact CG-CG1 4.17Å; L144-L339 HydrophobicContact CD2-CD2 4.01Å; L144-V441 HydrophobicContact CB-CB 4.38Å; L144-V441 HydrophobicContact CB-CG1 4.35Å; L144-V441 HydrophobicContact CB-CG2 3.93Å; L144-V441 HydrophobicContact CD1-CG2 3.98Å; L144-V441 WeakPolarHBondContact O-CA 3.29Å; L144-H442 PolarHBondContact O-N 3.47Å; L144-L483 HydrophobicContact CD1-CD1 4.25Å |
| 145 | L | 94.1 | Very high | 94 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.5 | -177.3 | -71.3 | 159.7 | 0 | 0 | 0 | 111.2 | M147 V337 L338 Q418 L422 H442 | L145-M147 HydrophobicContact CB-CE 3.78Å; L145-M147 PolarHBondContact O-N 3.02Å; L145-V337 CarbonylContact O-C 3.52Å; L145-V337 WeakPolarHBondContact O-CA 3.38Å; L145-L338 HydrophobicContact CB-CB 4.14Å; L145-L338 HydrophobicContact CB-CD2 4.34Å; L145-L338 HydrophobicContact CD1-CD2 4.14Å; L145-L338 WeakPolarHBondContact O-CB 3.39Å; L145-L338 PolarHBondContact O-N 3.09Å; L145-Q418 HydrophobicContact CD1-CG 4.31Å; L145-L422 HydrophobicContact CD1-CD2 3.4Å; L145-L422 VanDerWaalsContact CD1-CD2 3.4Å; L145-H442 WeakPolarHBondContact CA-O 3.39Å; L145-H442 HydrophobicContact CD2-CB 4.1Å |
| 146 | I | 93.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120.6 | 177.2 | -59.6 | -173.7 | 0 | 0 | 0 | 109.9 | Q335 E336 V441 H442 R443 F466 | I146-Q335 HydrophobicContact CG2-CB 3.75Å; I146-Q335 HydrophobicContact CG2-CG 3.5Å; I146-Q335 VanDerWaalsContact CG2-CG 3.5Å; I146-Q335 VanDerWaalsContact CG2-OE1 3.26Å; I146-E336 WeakPolarHBondContact CA-O 3.46Å; I146-V441 HydrophobicContact CD1-CG1 4.1Å; I146-V441 HydrophobicContact CG1-CG1 3.48Å; I146-V441 VanDerWaalsContact CG1-CG1 3.48Å; I146-H442 PolarHBondContact N-O 3.22Å; I146-R443 PolarHBondContact O-NH1 2.86Å; I146-F466 HydrophobicContact CD1-CZ 4.15Å |
| 147 | M | 92 | Very high | 94.2 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 164.7 | 174.9 | -66.6 | -62.9 | 131.2 | 0 | 0 | 110.9 | L145 Q335 E336 L338 | L145-M147 HydrophobicContact CB-CE 3.78Å; L145-M147 PolarHBondContact O-N 3.02Å; M147-Q335 CarbonylContact O-C 3.57Å; M147-Q335 VanDerWaalsContact O-CA 3.29Å; M147-Q335 WeakPolarHBondContact O-CA 3.38Å; M147-E336 HydrophobicContact CB-CG 4.07Å; M147-E336 PolarHBondContact N-O 3.12Å; M147-E336 PolarHBondContact O-N 3.23Å; M147-L338 HydrophobicContact CG-CB 3.81Å |
| 148 | S | 92.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 136.6 | 168 | -174 | 0 | 0 | 0 | 0 | 109.9 | R150 L154 R176 N329 | S148-R150 PolarHBondContact O-N 3.48Å; S148-L154 VanDerWaalsContact OG-CD1 3.27Å; S148-L154 WeakPolarHBondContact OG-CD1 3.34Å; S148-R176 PolarHBondContact O-NH1 2.9Å; S148-N329 WeakPolarHBondContact CA-OD1 3.27Å |
| 149 | R | 94.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 132.7 | 176.6 | 176.4 | 166.6 | -88.7 | -110.2 | 3.7 | 110.9 | M333 F334 E572 F591 T621 | R149-M333 PolarHBondContact NE-O 3.33Å; R149-F334 VanDerWaalsContact CB-O 3.23Å; R149-F334 WeakPolarHBondContact CB-O 3.4Å; R149-F334 PolarHBondContact N-O 2.89Å; R149-E572 IonicContact CZ-OE1 2.79Å; R149-E572 IonicContact CZ-OE2 3.41Å; R149-E572 IonicContact NH1-OE1 2.91Å; R149-E572 IonicContact NH1-OE2 3.63Å; R149-E572 PolarHBondContact NH1-OE2 3.11Å; R149-E572 IonicContact NH2-OE1 3.21Å; R149-E572 PolarHBondContact NH2-OE1 2.91Å; R149-E572 IonicContact NH2-OE2 3.83Å; R149-E572 PolarHBondContact NH2-OE2 3.03Å; R149-F591 VanDerWaalsContact NH1-CG 3.28Å; R149-T621 PolarHBondContact NH2-OG1 2.86Å |
| 150 | R | 94.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 150.2 | 177.2 | 66.5 | -172.3 | 60.3 | -155.7 | -6.9 | 112.2 | S148 Y152 R176 V178 E182 E336 G594 S595 | S148-R150 PolarHBondContact O-N 3.48Å; R150-Y152 PolarHBondContact O-N 3.23Å; R150-R176 CarbonylContact C-O 3.56Å; R150-R176 WeakPolarHBondContact CA-O 3.25Å; R150-V178 HydrophobicContact CB-CB 4.09Å; R150-V178 HydrophobicContact CB-CG2 3.57Å; R150-E182 IonicContact CZ-OE2 3.73Å; R150-E182 IonicContact NH1-OE1 3.68Å; R150-E182 PolarHBondContact NH1-OE1 3.4Å; R150-E182 IonicContact NH1-OE2 2.91Å; R150-E182 PolarHBondContact NH1-OE2 2.91Å; R150-E182 IonicContact NH2-OE2 3.63Å; R150-E182 PolarHBondContact NH2-OE2 3.45Å; R150-E336 VanDerWaalsContact CB-OE2 3.24Å; R150-E336 WeakPolarHBondContact CB-OE2 3.24Å; R150-E336 WeakPolarHBondContact CG-OE2 3.29Å; R150-E336 IonicContact CZ-OE1 3.85Å; R150-E336 IonicContact CZ-OE2 3.57Å; R150-E336 PolarHBondContact N-OE2 3.29Å; R150-E336 IonicContact NE-OE1 2.96Å; R150-E336 PolarHBondContact NE-OE1 2.91Å; R150-E336 IonicContact NE-OE2 3.71Å; R150-E336 PolarHBondContact NE-OE2 3.01Å; R150-E336 IonicContact NH2-OE1 2.81Å; R150-E336 PolarHBondContact NH2-OE1 3.42Å; R150-E336 IonicContact NH2-OE2 3.12Å; R150-G594 PolarHBondContact NE-O 3.03Å; R150-S595 VanDerWaalsContact NH2-CB 3.31Å; R150-S595 PolarHBondContact NH2-OG 3.05Å |
| 151 | N | 95.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 20.5 Ų | 20.5 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 28.9 | 169.3 | -51.8 | -20.2 | 0 | 0 | 0 | 115.2 | M175 R176 C177 V178 D535 G536 | N151-M175 VanDerWaalsContact C-CE 3.42Å; N151-M175 HydrophobicContact CB-CE 4.29Å; N151-M175 WeakPolarHBondContact O-CE 3.32Å; N151-R176 PolarHBondContact N-O 3.21Å; N151-C177 WeakPolarHBondContact OD1-CA 3.35Å; N151-V178 PolarHBondContact OD1-N 2.82Å; N151-D535 VanDerWaalsContact CB-O 3.26Å; N151-D535 WeakPolarHBondContact CB-O 3.27Å; N151-G536 WeakPolarHBondContact O-CA 3.47Å; N151-G536 PolarHBondContact O-N 2.99Å |
| 152 | Y | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | trans | -122.8 | 128.3 | 171.4 | -177.5 | -102.3 | 0 | 0 | 0 | 110 | R150 L154 K315 E327 F334 Q584 Y589 F591 F622 | R150-Y152 PolarHBondContact O-N 3.23Å; Y152-L154 HydrophobicContact CD1-CD2 3.7Å; Y152-L154 HydrophobicContact CD1-CG 3.94Å; Y152-L154 HydrophobicContact CE1-CD2 3.77Å; Y152-L154 HydrophobicContact CE1-CG 4.35Å; Y152-L154 PolarHBondContact O-N 2.82Å; Y152-K315 PolarHBondContact OH-NZ 3.29Å; Y152-E327 PolarHBondContact OH-OE1 3.27Å; Y152-F334 HydrophobicContact CD1-CD1 4.17Å; Y152-F334 HydrophobicContact CD1-CE1 4.33Å; Y152-F334 AromaticContact CE1-CD1 3.89Å; Y152-F334 HydrophobicContact CE1-CD1 3.89Å; Y152-F334 AromaticContact CE1-CE1 3.6Å; Y152-F334 HydrophobicContact CE1-CE1 3.6Å; Y152-Q584 PolarHBondContact OH-NE2 2.66Å; Y152-Y589 HydrophobicContact CD2-CD1 4.21Å; Y152-Y589 HydrophobicContact CD2-CE1 4.48Å; Y152-Y589 AromaticContact CE2-CD1 3.89Å; Y152-Y589 HydrophobicContact CE2-CD1 3.89Å; Y152-Y589 HydrophobicContact CE2-CD2 4.32Å; Y152-Y589 AromaticContact CE2-CE1 3.85Å; Y152-Y589 HydrophobicContact CE2-CE1 3.85Å; Y152-Y589 HydrophobicContact CE2-CE2 4.26Å; Y152-Y589 HydrophobicContact CE2-CG 4.13Å; Y152-F591 HydrophobicContact CD2-CE1 4.38Å; Y152-F591 AromaticContact CD2-CZ 3.92Å; Y152-F591 HydrophobicContact CD2-CZ 3.92Å; Y152-F591 HydrophobicContact CG-CZ 4.42Å; Y152-F622 HydrophobicContact CD2-CE1 4.02Å; Y152-F622 HydrophobicContact CE1-CE1 4.3Å; Y152-F622 AromaticContact CE2-CE1 3.69Å; Y152-F622 HydrophobicContact CE2-CE1 3.69Å; Y152-F622 HydrophobicContact CE2-CZ 4Å; Y152-F622 HydrophobicContact CG-CE1 4.45Å; Y152-F622 AromaticContact CZ-CE1 3.85Å; Y152-F622 AromaticContact CZ-CZ 3.87Å | ||
| 153 | P | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.1 | 178.9 | 29 | -29.5 | 0 | 0 | 0 | 110.9 | I173 M175 F311 M312 K315 | P153-I173 HydrophobicContact CB-CG2 3.48Å; P153-I173 VanDerWaalsContact CB-CG2 3.48Å; P153-M175 HydrophobicContact CB-CB 4.4Å; P153-M175 HydrophobicContact CB-CG 4.49Å; P153-M175 HydrophobicContact CB-SD 4.31Å; P153-F311 HydrophobicContact CG-CD1 4.12Å; P153-F311 HydrophobicContact CG-CE1 3.6Å; P153-M312 HydrophobicContact CB-CE 4.48Å; P153-M312 HydrophobicContact CB-CG 4Å; P153-K315 HydrophobicContact CG-CD 4.45Å; P153-K315 WeakPolarHBondContact O-CE 3.43Å; P153-K315 PolarHBondContact O-NZ 3.24Å |
| 154 | L | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.4 | -177.6 | -70.9 | 162.4 | 0 | 0 | 0 | 112.5 | S148 Y152 I156 I173 V174 E327 F334 | S148-L154 VanDerWaalsContact OG-CD1 3.27Å; S148-L154 WeakPolarHBondContact OG-CD1 3.34Å; Y152-L154 HydrophobicContact CD1-CD2 3.7Å; Y152-L154 HydrophobicContact CD1-CG 3.94Å; Y152-L154 HydrophobicContact CE1-CD2 3.77Å; Y152-L154 HydrophobicContact CE1-CG 4.35Å; Y152-L154 PolarHBondContact O-N 2.82Å; L154-I156 HydrophobicContact CB-CD1 4.05Å; L154-I156 HydrophobicContact CB-CG1 4Å; L154-I173 CarbonylContact O-C 3.5Å; L154-I173 VanDerWaalsContact O-CA 3.24Å; L154-I173 WeakPolarHBondContact O-CA 3.36Å; L154-V174 WeakPolarHBondContact CB-O 3.27Å; L154-V174 PolarHBondContact N-O 3.36Å; L154-V174 PolarHBondContact O-N 3.44Å; L154-E327 VanDerWaalsContact CA-OE2 3.3Å; L154-E327 WeakPolarHBondContact CA-OE2 3.39Å; L154-E327 HydrophobicContact CD2-CB 4.02Å; L154-F334 HydrophobicContact CD2-CB 3.66Å; L154-F334 HydrophobicContact CD2-CD1 3.32Å; L154-F334 HydrophobicContact CD2-CD2 4.05Å; L154-F334 HydrophobicContact CD2-CE1 3.88Å; L154-F334 HydrophobicContact CD2-CG 3.4Å; L154-F334 HydrophobicContact CD2-CZ 4.43Å |
| 155 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 107.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I173 F319 E327 | A155-I173 HydrophobicContact CB-CD1 3.82Å; A155-F319 HydrophobicContact CB-CB 4.22Å; A155-F319 HydrophobicContact CB-CD1 3.99Å; A155-F319 HydrophobicContact CB-CD2 3.9Å; A155-F319 HydrophobicContact CB-CE1 4.29Å; A155-F319 HydrophobicContact CB-CE2 4.23Å; A155-F319 HydrophobicContact CB-CG 3.78Å; A155-F319 HydrophobicContact CB-CZ 4.41Å; A155-E327 HydrophobicContact CB-CG 4.35Å; A155-E327 PolarHBondContact N-OE2 3.22Å; A155-E327 WeakPolarHBondContact O-CA 3.44Å; A155-E327 WeakPolarHBondContact O-CB 3.32Å; A155-E327 PolarHBondContact O-N 3.38Å |
| 156 | I | 94.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.9 | -172.8 | -59.8 | -179.3 | 0 | 0 | 0 | 110.2 | L154 R158 F161 A172 V174 | L154-I156 HydrophobicContact CB-CD1 4.05Å; L154-I156 HydrophobicContact CB-CG1 4Å; I156-R158 HydrophobicContact CG2-CG 3.82Å; I156-F161 HydrophobicContact CG2-CE2 4.28Å; I156-A172 PolarHBondContact N-O 2.83Å; I156-A172 PolarHBondContact O-N 3.44Å; I156-V174 HydrophobicContact CB-CG2 4.5Å; I156-V174 HydrophobicContact CD1-CB 4Å; I156-V174 HydrophobicContact CD1-CG2 3.96Å |
| 157 | S | 93.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.4 | 167.4 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | E170 E326 | S157-E170 CarbonylContact C-O 3.5Å; S157-E170 VanDerWaalsContact CA-O 3.32Å; S157-E170 WeakPolarHBondContact CA-O 3.43Å; S157-E170 WeakPolarHBondContact OG-CG 3.36Å; S157-E326 PolarHBondContact N-OE1 3.36Å |
| 158 | R | 90.2 | Very high | 91.9 | Very high | 116 Ų | 116 | 50.5 Ų | 50.5 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | trans | -142.1 | 131.1 | 173.3 | -69.1 | -179.2 | -175.4 | 179.1 | 1.5 | 112.1 | I156 T160 F161 E170 | I156-R158 HydrophobicContact CG2-CG 3.82Å; R158-T160 WeakPolarHBondContact CB-OG1 3.38Å; R158-T160 PolarHBondContact O-N 3Å; R158-T160 VanDerWaalsContact O-N 3.09Å; R158-F161 HydrophobicContact CB-CD1 4.38Å; R158-F161 HydrophobicContact CB-CD2 3.87Å; R158-F161 HydrophobicContact CB-CE1 4.47Å; R158-F161 HydrophobicContact CB-CE2 3.95Å; R158-F161 HydrophobicContact CB-CG 4.09Å; R158-F161 HydrophobicContact CB-CZ 4.27Å; R158-F161 HydrophobicContact CG-CE2 4.18Å; R158-F161 HydrophobicContact CG-CZ 4.34Å; R158-F161 WeakPolarHBondContact O-CB 3.2Å; R158-F161 PolarHBondContact O-N 2.89Å; R158-E170 PolarHBondContact N-O 2.86Å; R158-E170 WeakPolarHBondContact O-CB 3.42Å | ||
| 159 | S | 88.9 | Confident | 92 | Very high | 77 Ų | 77 | 51 Ų | 51 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.1 | -27.6 | 171.4 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | F161 K162 K163 | S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.21Å; S159-K162 PolarHBondContact O-N 2.95Å; S159-K163 PolarHBondContact O-N 3.12Å |
| 160 | T | 89.4 | Confident | 92 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.2 | -25.9 | 175 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | R158 K163 | R158-T160 WeakPolarHBondContact CB-OG1 3.38Å; R158-T160 PolarHBondContact O-N 3Å; R158-T160 VanDerWaalsContact O-N 3.09Å; T160-K163 PolarHBondContact O-N 3.44Å |
| 161 | F | 91.8 | Very high | 92 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 177.3 | -61.6 | -23.7 | 0 | 0 | 0 | 111 | I156 R158 S159 K163 R164 Y168 T169 E170 A172 V174 H190 | I156-F161 HydrophobicContact CG2-CE2 4.28Å; R158-F161 HydrophobicContact CB-CD1 4.38Å; R158-F161 HydrophobicContact CB-CD2 3.87Å; R158-F161 HydrophobicContact CB-CE1 4.47Å; R158-F161 HydrophobicContact CB-CE2 3.95Å; R158-F161 HydrophobicContact CB-CG 4.09Å; R158-F161 HydrophobicContact CB-CZ 4.27Å; R158-F161 HydrophobicContact CG-CE2 4.18Å; R158-F161 HydrophobicContact CG-CZ 4.34Å; R158-F161 WeakPolarHBondContact O-CB 3.2Å; R158-F161 PolarHBondContact O-N 2.89Å; S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.21Å; F161-K163 PolarHBondContact O-N 2.76Å; F161-R164 WeakPolarHBondContact O-CB 3.42Å; F161-R164 PolarHBondContact O-N 2.97Å; F161-R164 VanDerWaalsContact O-N 3.11Å; F161-Y168 WeakPolarHBondContact O-CB 3.4Å; F161-T169 CarbonylContact C-O 3.54Å; F161-T169 WeakPolarHBondContact CB-O 3.36Å; F161-E170 WeakPolarHBondContact CD2-O 3.34Å; F161-A172 HydrophobicContact CD2-CB 3.87Å; F161-A172 HydrophobicContact CE2-CB 3.76Å; F161-V174 HydrophobicContact CZ-CG2 4.43Å; F161-H190 AromaticContact CD1-CE1 3.8Å; F161-H190 AromaticContact CG-CE1 3.78Å |
| 162 | K | 90.2 | Very high | 92 | Very high | 131 Ų | 131 | 56 Ų | 56 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.4 | -31.9 | 172.9 | -168.1 | 173.5 | -175.5 | 174 | 0 | 112.7 | S159 R164 T169 | S159-K162 PolarHBondContact O-N 2.95Å; K162-R164 PolarHBondContact O-N 3.23Å; K162-T169 PolarHBondContact N-O 3.08Å |
| 163 | K | 90.5 | Very high | 92.1 | Very high | 174 Ų | 174 | 56 Ų | 56 | 76% | 0.757 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.5 | 178.3 | -69.1 | -179.4 | -178.1 | -178 | 0 | 114.8 | S159 T160 F161 G165 | S159-K163 PolarHBondContact O-N 3.12Å; T160-K163 PolarHBondContact O-N 3.44Å; F161-K163 PolarHBondContact O-N 2.76Å; K163-G165 VanDerWaalsContact C-N 3.3Å; K163-G165 PolarHBondContact O-N 2.75Å |
| 164 | R | 87.2 | Confident | 92 | Very high | 100 Ų | 100 | 57 Ų | 57 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.8 | -177.7 | -72.8 | 176.7 | 165.2 | -118.7 | -0.4 | 114.1 | F161 K162 Y168 Q207 | F161-R164 WeakPolarHBondContact O-CB 3.42Å; F161-R164 PolarHBondContact O-N 2.97Å; F161-R164 VanDerWaalsContact O-N 3.11Å; K162-R164 PolarHBondContact O-N 3.23Å; R164-Y168 HydrophobicContact CB-CD1 4.16Å; R164-Y168 HydrophobicContact CB-CD2 4.35Å; R164-Y168 HydrophobicContact CB-CE1 4.35Å; R164-Y168 HydrophobicContact CB-CG 4.16Å; R164-Q207 VanDerWaalsContact NH1-CD 3.32Å |
| 165 | G | 86.3 | Confident | 92 | Very high | 35 Ų | 35 | 57 Ų | 57 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 162.3 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K163 G167 Y168 | K163-G165 VanDerWaalsContact C-N 3.3Å; K163-G165 PolarHBondContact O-N 2.75Å; G165-G167 PolarHBondContact O-N 2.88Å; G165-Y168 PolarHBondContact O-N 2.79Å |
| 166 | H | 85.5 | Confident | 92 | Very high | 203 Ų | 203 | 57.4 Ų | 57.4 | 94% | 0.94 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 134.6 | 175.3 | -166.6 | -75.1 | 0 | 0 | 0 | 110.4 | ||
| 167 | G | 88.3 | Confident | 92 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G165 L192 V193 | G165-G167 PolarHBondContact O-N 2.88Å; G167-L192 WeakPolarHBondContact O-CA 3.47Å; G167-V193 WeakPolarHBondContact O-CG2 3.44Å; G167-V193 PolarHBondContact O-N 3Å |
| 168 | Y | 92.8 | Very high | 92 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 143.6 | 171.2 | -76.9 | -100.2 | 0 | 0 | 0 | 111.5 | F161 R164 G165 H190 L192 L209 | F161-Y168 WeakPolarHBondContact O-CB 3.4Å; R164-Y168 HydrophobicContact CB-CD1 4.16Å; R164-Y168 HydrophobicContact CB-CD2 4.35Å; R164-Y168 HydrophobicContact CB-CE1 4.35Å; R164-Y168 HydrophobicContact CB-CG 4.16Å; G165-Y168 PolarHBondContact O-N 2.79Å; Y168-H190 HydrophobicContact CD1-CB 4.4Å; Y168-H190 HydrophobicContact CE1-CB 4.33Å; Y168-L192 HydrophobicContact CD1-CD2 3.72Å; Y168-L192 HydrophobicContact CD2-CD2 4.17Å; Y168-L192 HydrophobicContact CE1-CD2 3.85Å; Y168-L192 HydrophobicContact CE2-CD2 4.29Å; Y168-L192 HydrophobicContact CG-CD2 3.89Å; Y168-L209 HydrophobicContact CE1-CD2 4.01Å; Y168-L209 VanDerWaalsContact OH-CD2 3.31Å; Y168-L209 WeakPolarHBondContact OH-CD2 3.28Å |
| 169 | T | 93.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 176.8 | 168.7 | 72 | 0 | 0 | 0 | 0 | 111 | F161 K162 H171 W191 V193 | F161-T169 CarbonylContact C-O 3.54Å; F161-T169 WeakPolarHBondContact CB-O 3.36Å; K162-T169 PolarHBondContact N-O 3.08Å; T169-H171 VanDerWaalsContact C-N 3.31Å; T169-H171 PolarHBondContact OG1-N 3.44Å; T169-W191 PolarHBondContact N-O 2.92Å; T169-W191 WeakPolarHBondContact OG1-CB 3.23Å; T169-W191 PolarHBondContact OG1-O 3.16Å; T169-V193 HydrophobicContact CG2-CG2 3.87Å |
| 170 | E | 94.2 | Very high | 92.1 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -10.4 | 175.5 | 57.2 | -173.1 | -157.1 | 0 | 0 | 113.8 | S157 R158 F161 | S157-E170 CarbonylContact C-O 3.5Å; S157-E170 VanDerWaalsContact CA-O 3.32Å; S157-E170 WeakPolarHBondContact CA-O 3.43Å; S157-E170 WeakPolarHBondContact OG-CG 3.36Å; R158-E170 PolarHBondContact N-O 2.86Å; R158-E170 WeakPolarHBondContact O-CB 3.42Å; F161-E170 WeakPolarHBondContact CD2-O 3.34Å |
| 171 | H | 95.5 | Very high | 92.2 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 21% | 0.213 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.3 | -174.6 | -51.8 | -66.3 | 0 | 0 | 0 | 112.1 | T169 W191 F319 V320 | T169-H171 VanDerWaalsContact C-N 3.31Å; T169-H171 PolarHBondContact OG1-N 3.44Å; H171-W191 HydrophobicContact CB-CB 4.32Å; H171-W191 PolarHBondContact O-N 3.34Å; H171-W191 VanDerWaalsContact O-N 3.12Å; H171-F319 HydrophobicContact CB-CD1 4Å; H171-F319 HydrophobicContact CB-CE1 3.82Å; H171-F319 AromaticContact ND1-CE1 3.49Å; H171-F319 WeakPolarHBondContact ND1-CE1 3.18Å; H171-F319 AromaticContact ND1-CZ 3.79Å; H171-V320 HydrophobicContact CB-CG2 3.92Å |
| 172 | A | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I156 F161 L189 | I156-A172 PolarHBondContact N-O 2.83Å; I156-A172 PolarHBondContact O-N 3.44Å; F161-A172 HydrophobicContact CD2-CB 3.87Å; F161-A172 HydrophobicContact CE2-CB 3.76Å; A172-L189 CarbonylContact C-O 3.5Å; A172-L189 WeakPolarHBondContact CA-O 3.44Å; A172-L189 WeakPolarHBondContact CB-O 3.47Å |
| 173 | I | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.7 | 163.6 | -62.8 | -70.7 | 0 | 0 | 0 | 108.5 | P153 L154 A155 M188 L189 M312 K315 L316 | P153-I173 HydrophobicContact CB-CG2 3.48Å; P153-I173 VanDerWaalsContact CB-CG2 3.48Å; L154-I173 CarbonylContact O-C 3.5Å; L154-I173 VanDerWaalsContact O-CA 3.24Å; L154-I173 WeakPolarHBondContact O-CA 3.36Å; A155-I173 HydrophobicContact CB-CD1 3.82Å; I173-M188 CarbonylContact O-C 3.5Å; I173-M188 WeakPolarHBondContact O-CA 3.36Å; I173-L189 HydrophobicContact CB-CB 4.31Å; I173-L189 PolarHBondContact N-O 2.84Å; I173-L189 PolarHBondContact O-N 2.71Å; I173-M312 HydrophobicContact CB-CE 4.28Å; I173-M312 HydrophobicContact CG2-CB 4.47Å; I173-M312 HydrophobicContact CG2-CE 3.58Å; I173-M312 HydrophobicContact CG2-CG 4.31Å; I173-K315 HydrophobicContact CD1-CB 4.19Å; I173-K315 HydrophobicContact CD1-CD 4.07Å; I173-K315 HydrophobicContact CD1-CG 3.76Å; I173-L316 HydrophobicContact CG1-CB 3.62Å; I173-L316 HydrophobicContact CG1-CD1 3.94Å; I173-L316 HydrophobicContact CG1-CG 4.32Å |
| 174 | V | 95.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 14% | 0.139 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.8 | 179.6 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | L154 I156 F161 I186 L187 M188 | L154-V174 WeakPolarHBondContact CB-O 3.27Å; L154-V174 PolarHBondContact N-O 3.36Å; L154-V174 PolarHBondContact O-N 3.44Å; I156-V174 HydrophobicContact CB-CG2 4.5Å; I156-V174 HydrophobicContact CD1-CB 4Å; I156-V174 HydrophobicContact CD1-CG2 3.96Å; F161-V174 HydrophobicContact CZ-CG2 4.43Å; V174-I186 HydrophobicContact CG1-CG2 4.29Å; V174-L187 CarbonylContact C-O 3.52Å; V174-L187 WeakPolarHBondContact CA-O 3.32Å; V174-M188 HydrophobicContact CB-CG 4.48Å; V174-M188 HydrophobicContact CG1-CG 4.04Å; V174-M188 HydrophobicContact CG2-CG 4.03Å |
| 175 | M | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.6 | 179.5 | -170 | 177.8 | -174.1 | 0 | 0 | 110.7 | N151 P153 L187 H298 L308 M312 | N151-M175 VanDerWaalsContact C-CE 3.42Å; N151-M175 HydrophobicContact CB-CE 4.29Å; N151-M175 WeakPolarHBondContact O-CE 3.32Å; P153-M175 HydrophobicContact CB-CB 4.4Å; P153-M175 HydrophobicContact CB-CG 4.49Å; P153-M175 HydrophobicContact CB-SD 4.31Å; M175-L187 HydrophobicContact CB-CB 4.49Å; M175-L187 PolarHBondContact N-O 3.29Å; M175-L187 PolarHBondContact O-N 2.96Å; M175-H298 VanDerWaalsContact CE-CE1 3.48Å; M175-H298 WeakPolarHBondContact CE-CE1 3.5Å; M175-L308 HydrophobicContact CE-CD1 3.98Å; M175-L308 HydrophobicContact CE-CD2 3.78Å; M175-L308 HydrophobicContact SD-CD1 4.03Å; M175-L308 HydrophobicContact SD-CD2 3.84Å; M175-L308 HydrophobicContact SD-CG 4.37Å; M175-M312 HydrophobicContact CB-CE 4.06Å; M175-M312 HydrophobicContact SD-SD 4.12Å |
| 176 | R | 95.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 99.7 | 172.9 | -177.5 | 172.2 | 168.8 | -88.9 | -3.2 | 109.4 | S148 R150 N151 V178 V184 E336 | S148-R176 PolarHBondContact O-NH1 2.9Å; R150-R176 CarbonylContact C-O 3.56Å; R150-R176 WeakPolarHBondContact CA-O 3.25Å; N151-R176 PolarHBondContact N-O 3.21Å; R176-V178 HydrophobicContact CG-CG2 4.28Å; R176-V184 HydrophobicContact CG-CG1 3.75Å; R176-E336 IonicContact CZ-OE1 2.8Å; R176-E336 VanDerWaalsContact NH1-CD 3.34Å; R176-E336 IonicContact NH1-OE1 2.92Å; R176-E336 PolarHBondContact NH1-OE1 3.02Å; R176-E336 IonicContact NH1-OE2 3.64Å; R176-E336 IonicContact NH2-OE1 3.85Å |
| 177 | C | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.1 | 179.3 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | N151 V184 S185 I297 H298 | N151-C177 WeakPolarHBondContact OD1-CA 3.35Å; C177-V184 WeakPolarHBondContact O-CA 3.48Å; C177-S185 WeakPolarHBondContact CA-O 3.41Å; C177-S185 WeakPolarHBondContact CB-O 3.28Å; C177-S185 PolarHBondContact N-O 3.39Å; C177-S185 PolarHBondContact O-N 3.39Å; C177-I297 HydrophobicContact CB-CG1 3.99Å; C177-H298 WeakPolarHBondContact CB-ND1 3.39Å; C177-H298 VanDerWaalsContact SG-CE1 3.54Å; C177-H298 PolarHBondContact SG-ND1 2.69Å; C177-H298 VanDerWaalsContact SG-ND1 3.37Å |
| 178 | V | 94.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.3 | 179.1 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | R150 N151 R176 T183 V184 H298 | R150-V178 HydrophobicContact CB-CB 4.09Å; R150-V178 HydrophobicContact CB-CG2 3.57Å; N151-V178 PolarHBondContact OD1-N 2.82Å; R176-V178 HydrophobicContact CG-CG2 4.28Å; V178-T183 WeakPolarHBondContact CA-O 3.41Å; V178-V184 HydrophobicContact CG2-CG2 4.28Å; V178-H298 VanDerWaalsContact O-CB 3.26Å; V178-H298 WeakPolarHBondContact O-CB 3.4Å |
| 179 | R | 91.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 15.4 Ų | 15.4 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | trans | -86.6 | 167 | 177.6 | -173.3 | 172.5 | 64.6 | -169.4 | -7.3 | 111.1 | H26 D181 E182 T183 E293 I297 | H26-R179 PolarHBondContact ND1-NE 2.86Å; R179-D181 WeakPolarHBondContact CB-OD1 3.21Å; R179-D181 IonicContact CZ-OD1 3.77Å; R179-D181 IonicContact CZ-OD2 3.82Å; R179-D181 IonicContact NE-OD1 2.78Å; R179-D181 PolarHBondContact NE-OD1 3.48Å; R179-D181 IonicContact NE-OD2 2.71Å; R179-D181 IonicContact NH2-OD1 3.96Å; R179-D181 IonicContact NH2-OD2 3.79Å; R179-D181 PolarHBondContact NH2-OD2 3.04Å; R179-D181 PolarHBondContact O-N 3.48Å; R179-E182 WeakPolarHBondContact O-CA 3.32Å; R179-E182 PolarHBondContact O-N 3.43Å; R179-T183 PolarHBondContact N-O 3.34Å; R179-E293 IonicContact CZ-OE2 3.59Å; R179-E293 IonicContact NH1-OE1 2.76Å; R179-E293 PolarHBondContact NH1-OE1 3.03Å; R179-E293 VanDerWaalsContact NH1-OE1 3.14Å; R179-E293 IonicContact NH1-OE2 3.67Å; R179-E293 PolarHBondContact NH1-OE2 3.32Å; R179-E293 IonicContact NH2-OE2 2.74Å; R179-I297 HydrophobicContact CB-CD1 4.17Å; R179-I297 HydrophobicContact CB-CG1 4.27Å | ||
| 180 | E | 90.2 | Very high | 94 | Very high | 20 Ų | 20 | 14.3 Ų | 14.3 | 9% | 0.093 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.1 | -178 | 68.1 | 176.1 | -178.6 | 0 | 0 | 115.6 | R22 K25 H26 Q496 | R22-E180 VanDerWaalsContact CD-O 3.29Å; R22-E180 WeakPolarHBondContact CD-O 3.47Å; R22-E180 PolarHBondContact NH1-O 2.77Å; K25-E180 IonicContact NZ-OE1 3.83Å; K25-E180 PolarHBondContact NZ-OE1 2.97Å; H26-E180 IonicContact CD2-OE1 2.95Å; H26-E180 IonicContact CE1-OE1 3.33Å; H26-E180 WeakPolarHBondContact NE2-CG 3.34Å; H26-E180 IonicContact NE2-OE1 3.1Å; H26-E180 PolarHBondContact NE2-OE1 2.93Å; E180-Q496 PolarHBondContact OE2-N 3.11Å |
| 181 | D | 90.4 | Very high | 94 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 11.1 | 174.1 | 69.9 | -30.2 | 0 | 0 | 0 | 113.3 | R22 H26 R179 T183 R349 | R22-D181 HydrophobicContact CB-CB 4.32Å; H26-D181 HydrophobicContact CB-CB 4.27Å; H26-D181 WeakPolarHBondContact CB-OD2 3.42Å; R179-D181 WeakPolarHBondContact CB-OD1 3.21Å; R179-D181 IonicContact CZ-OD1 3.77Å; R179-D181 IonicContact CZ-OD2 3.82Å; R179-D181 IonicContact NE-OD1 2.78Å; R179-D181 PolarHBondContact NE-OD1 3.48Å; R179-D181 IonicContact NE-OD2 2.71Å; R179-D181 IonicContact NH2-OD1 3.96Å; R179-D181 IonicContact NH2-OD2 3.79Å; R179-D181 PolarHBondContact NH2-OD2 3.04Å; R179-D181 PolarHBondContact O-N 3.48Å; D181-T183 PolarHBondContact O-N 3.41Å; D181-T183 WeakPolarHBondContact OD1-CB 3.25Å; D181-T183 PolarHBondContact OD1-N 3.34Å; D181-T183 PolarHBondContact OD1-OG1 3.47Å; D181-T183 PolarHBondContact OD2-OG1 3.29Å; D181-R349 IonicContact OD2-CZ 2.99Å; D181-R349 IonicContact OD2-NH1 2.82Å; D181-R349 PolarHBondContact OD2-NH1 2.95Å |
| 182 | E | 92.5 | Very high | 94 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | trans | 62.5 | 16 | -175.4 | -63 | -61.6 | 131.7 | 0 | 0 | 115.1 | R150 R179 T342 L345 Q346 T493 | R150-E182 IonicContact CZ-OE2 3.73Å; R150-E182 IonicContact NH1-OE1 3.68Å; R150-E182 PolarHBondContact NH1-OE1 3.4Å; R150-E182 IonicContact NH1-OE2 2.91Å; R150-E182 PolarHBondContact NH1-OE2 2.91Å; R150-E182 IonicContact NH2-OE2 3.63Å; R150-E182 PolarHBondContact NH2-OE2 3.45Å; R179-E182 WeakPolarHBondContact O-CA 3.32Å; R179-E182 PolarHBondContact O-N 3.43Å; E182-T342 HydrophobicContact CB-CG2 3.99Å; E182-T342 HydrophobicContact CG-CG2 4.05Å; E182-T342 VanDerWaalsContact OE2-CG2 3.24Å; E182-T342 WeakPolarHBondContact OE2-CG2 3.28Å; E182-L345 HydrophobicContact CB-CD1 4.42Å; E182-L345 HydrophobicContact CG-CD1 4.15Å; E182-Q346 WeakPolarHBondContact O-CG 3.5Å; E182-Q346 PolarHBondContact O-NE2 2.83Å; E182-T493 WeakPolarHBondContact OE1-CB 3.49Å; E182-T493 PolarHBondContact OE1-OG1 2.78Å | ||
| 183 | T | 90.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 16.4 Ų | 16.4 | 14% | 0.141 | 9% | 0.088 | C | C | . | . | trans | -68.7 | 138.8 | 169.5 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | V178 R179 D181 I297 R349 | V178-T183 WeakPolarHBondContact CA-O 3.41Å; R179-T183 PolarHBondContact N-O 3.34Å; D181-T183 PolarHBondContact O-N 3.41Å; D181-T183 WeakPolarHBondContact OD1-CB 3.25Å; D181-T183 PolarHBondContact OD1-N 3.34Å; D181-T183 PolarHBondContact OD1-OG1 3.47Å; D181-T183 PolarHBondContact OD2-OG1 3.29Å; T183-I297 HydrophobicContact CG2-CD1 4.1Å; T183-I297 WeakPolarHBondContact O-CD1 3.48Å; T183-R349 VanDerWaalsContact OG1-CD 3.31Å; T183-R349 WeakPolarHBondContact OG1-CD 3.22Å; T183-R349 PolarHBondContact OG1-NE 3.42Å | ||
| 184 | V | 92.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.3 | -175.4 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | R176 C177 V178 I186 Q414 | R176-V184 HydrophobicContact CG-CG1 3.75Å; C177-V184 WeakPolarHBondContact O-CA 3.48Å; V178-V184 HydrophobicContact CG2-CG2 4.28Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å; V184-Q414 HydrophobicContact CB-CB 4.25Å; V184-Q414 HydrophobicContact CB-CG 4.2Å; V184-Q414 HydrophobicContact CG1-CB 4.4Å; V184-Q414 HydrophobicContact CG1-CG 4.45Å; V184-Q414 PolarHBondContact O-NE2 2.91Å |
| 185 | S | 92.2 | Very high | 93 | Very high | 11 Ų | 11 | 19.6 Ų | 19.6 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.8 | 162.6 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | C177 Y294 | C177-S185 WeakPolarHBondContact CA-O 3.41Å; C177-S185 WeakPolarHBondContact CB-O 3.28Å; C177-S185 PolarHBondContact N-O 3.39Å; C177-S185 PolarHBondContact O-N 3.39Å; S185-Y294 WeakPolarHBondContact CB-O 3.43Å; S185-Y294 PolarHBondContact OG-O 3.45Å |
| 186 | I | 92.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 20.2 Ų | 20.2 | 17% | 0.174 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.8 | 178.4 | -59.1 | 174.3 | 0 | 0 | 0 | 108.1 | V174 V184 M188 | V174-I186 HydrophobicContact CG1-CG2 4.29Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å; I186-M188 HydrophobicContact CG2-CG 4.37Å |
| 187 | L | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.4 | 173.4 | -60.3 | -178.4 | 0 | 0 | 0 | 109.8 | V174 M175 L199 F201 A296 | V174-L187 CarbonylContact C-O 3.52Å; V174-L187 WeakPolarHBondContact CA-O 3.32Å; M175-L187 HydrophobicContact CB-CB 4.49Å; M175-L187 PolarHBondContact N-O 3.29Å; M175-L187 PolarHBondContact O-N 2.96Å; L187-L199 HydrophobicContact CB-CD1 4.34Å; L187-L199 HydrophobicContact CD2-CD2 4.39Å; L187-F201 HydrophobicContact CD2-CB 3.89Å; L187-A296 HydrophobicContact CD1-CB 4.14Å |
| 188 | M | 95.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 10% | 0.099 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 110.6 | 174 | -66.4 | 178 | -84 | 0 | 0 | 109.3 | I173 V174 I186 A200 Q207 | I173-M188 CarbonylContact O-C 3.5Å; I173-M188 WeakPolarHBondContact O-CA 3.36Å; V174-M188 HydrophobicContact CB-CG 4.48Å; V174-M188 HydrophobicContact CG1-CG 4.04Å; V174-M188 HydrophobicContact CG2-CG 4.03Å; I186-M188 HydrophobicContact CG2-CG 4.37Å; M188-A200 HydrophobicContact CB-CB 3.89Å; M188-A200 HydrophobicContact CE-CB 4.34Å; M188-A200 PolarHBondContact N-O 2.99Å; M188-A200 WeakPolarHBondContact O-CB 3.14Å; M188-A200 PolarHBondContact O-N 3.31Å; M188-Q207 VanDerWaalsContact CE-NE2 3.26Å |
| 189 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 103.8 | 174.2 | -170.8 | 68.5 | 0 | 0 | 0 | 108.8 | A172 I173 P197 L199 I212 M312 I313 L316 | A172-L189 CarbonylContact C-O 3.5Å; A172-L189 WeakPolarHBondContact CA-O 3.44Å; A172-L189 WeakPolarHBondContact CB-O 3.47Å; I173-L189 HydrophobicContact CB-CB 4.31Å; I173-L189 PolarHBondContact N-O 2.84Å; I173-L189 PolarHBondContact O-N 2.71Å; L189-P197 HydrophobicContact CD1-CB 3.84Å; L189-P197 HydrophobicContact CD2-CB 4.47Å; L189-P197 HydrophobicContact CG-CB 4.01Å; L189-L199 HydrophobicContact CB-CD1 4.23Å; L189-L199 HydrophobicContact CD1-CB 4.25Å; L189-L199 HydrophobicContact CD1-CD1 4.03Å; L189-I212 HydrophobicContact CD1-CB 4.14Å; L189-I212 HydrophobicContact CD1-CD1 3.87Å; L189-I212 HydrophobicContact CD1-CG1 4.01Å; L189-M312 HydrophobicContact CB-CE 4.28Å; L189-M312 HydrophobicContact CD2-CB 3.98Å; L189-I313 HydrophobicContact CD2-CG1 3.98Å; L189-L316 HydrophobicContact CB-CD2 4.49Å; L189-L316 HydrophobicContact CD2-CB 4.4Å; L189-L316 HydrophobicContact CD2-CD2 3.88Å; L189-L316 HydrophobicContact CG-CD2 3.81Å |
| 190 | H | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.5 | -178.5 | -74.6 | -76.2 | 0 | 0 | 0 | 111.4 | F161 Y168 P197 A198 | F161-H190 AromaticContact CD1-CE1 3.8Å; F161-H190 AromaticContact CG-CE1 3.78Å; Y168-H190 HydrophobicContact CD1-CB 4.4Å; Y168-H190 HydrophobicContact CE1-CB 4.33Å; H190-P197 VanDerWaalsContact O-CA 3.25Å; H190-P197 WeakPolarHBondContact O-CA 3.3Å; H190-A198 PolarHBondContact N-O 3.2Å; H190-A198 PolarHBondContact O-N 3.34Å; H190-A198 VanDerWaalsContact O-N 3.1Å |
| 191 | W | 95.1 | Very high | 93.1 | Very high | 37 Ų | 37 | 18 Ų | 18 | 14% | 0.14 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.7 | 167 | -173.5 | -100.4 | 0 | 0 | 0 | 110.6 | T169 H171 P197 N244 L316 V320 | T169-W191 PolarHBondContact N-O 2.92Å; T169-W191 WeakPolarHBondContact OG1-CB 3.23Å; T169-W191 PolarHBondContact OG1-O 3.16Å; H171-W191 HydrophobicContact CB-CB 4.32Å; H171-W191 PolarHBondContact O-N 3.34Å; H171-W191 VanDerWaalsContact O-N 3.12Å; W191-P197 HydrophobicContact CE3-CG 4.07Å; W191-P197 HydrophobicContact CZ3-CG 4.14Å; W191-N244 HydrophobicContact CH2-CB 4.46Å; W191-N244 VanDerWaalsContact CH2-ND2 3.33Å; W191-N244 WeakPolarHBondContact CH2-ND2 3.46Å; W191-N244 VanDerWaalsContact CZ3-ND2 3.29Å; W191-N244 WeakPolarHBondContact CZ3-ND2 3.39Å; W191-L316 HydrophobicContact CB-CD1 4.11Å; W191-L316 HydrophobicContact CB-CD2 4.14Å; W191-L316 HydrophobicContact CB-CG 4.29Å; W191-L316 HydrophobicContact CE3-CD2 3.88Å; W191-L316 HydrophobicContact CE3-CG 3.93Å; W191-V320 HydrophobicContact CB-CG2 4.04Å; W191-V320 HydrophobicContact CD2-CB 4.49Å; W191-V320 HydrophobicContact CD2-CG1 4.4Å; W191-V320 HydrophobicContact CD2-CG2 3.83Å; W191-V320 HydrophobicContact CE3-CG2 4.31Å; W191-V320 HydrophobicContact CG-CG2 3.69Å; W191-V320 HydrophobicContact CZ2-CG1 4.33Å |
| 192 | L | 94.2 | Very high | 93.1 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 14% | 0.141 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.6 | 178.6 | -61 | -175.9 | 0 | 0 | 0 | 110.6 | G167 Y168 N194 G195 E196 A198 | G167-L192 WeakPolarHBondContact O-CA 3.47Å; Y168-L192 HydrophobicContact CD1-CD2 3.72Å; Y168-L192 HydrophobicContact CD2-CD2 4.17Å; Y168-L192 HydrophobicContact CE1-CD2 3.85Å; Y168-L192 HydrophobicContact CE2-CD2 4.29Å; Y168-L192 HydrophobicContact CG-CD2 3.89Å; L192-N194 WeakPolarHBondContact CB-OD1 3.44Å; L192-N194 PolarHBondContact O-N 3.19Å; L192-G195 PolarHBondContact O-N 3.41Å; L192-E196 WeakPolarHBondContact CD1-O 3.48Å; L192-A198 HydrophobicContact CD1-CB 3.94Å; L192-A198 HydrophobicContact CG-CB 4.48Å |
| 193 | V | 91.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 20.3 Ų | 20.3 | 63% | 0.63 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.5 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | G167 T169 G195 | G167-V193 WeakPolarHBondContact O-CG2 3.44Å; G167-V193 PolarHBondContact O-N 3Å; T169-V193 HydrophobicContact CG2-CG2 3.87Å; V193-G195 PolarHBondContact O-N 3.18Å |
| 194 | N | 88.6 | Confident | 92.3 | Very high | 83 Ų | 83 | 24.2 Ų | 24.2 | 44% | 0.444 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.6 | 175.8 | 67.3 | -10.2 | 0 | 0 | 0 | 113.5 | L192 E196 R247 | L192-N194 WeakPolarHBondContact CB-OD1 3.44Å; L192-N194 PolarHBondContact O-N 3.19Å; N194-E196 PolarHBondContact OD1-N 2.9Å; N194-E196 PolarHBondContact OD1-O 3.43Å; N194-R247 PolarHBondContact O-NH1 3.21Å |
| 195 | G | 86.6 | Confident | 91.6 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 83.8 | 2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L192 V193 P197 N244 | L192-G195 PolarHBondContact O-N 3.41Å; V193-G195 PolarHBondContact O-N 3.18Å; G195-P197 WeakPolarHBondContact O-CD 3.44Å; G195-N244 PolarHBondContact O-OD1 3.4Å |
| 196 | E | 90.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | trans | -100.9 | 110.9 | 172.3 | -176.1 | -178.4 | -159.9 | 0 | 0 | 109.4 | L192 N194 P211 S213 R251 | L192-E196 WeakPolarHBondContact CD1-O 3.48Å; N194-E196 PolarHBondContact OD1-N 2.9Å; N194-E196 PolarHBondContact OD1-O 3.43Å; E196-P211 WeakPolarHBondContact OE1-CB 3.48Å; E196-S213 PolarHBondContact OE1-OG 2.89Å; E196-R251 IonicContact OE1-NE 3.7Å; E196-R251 PolarHBondContact OE1-NE 3.18Å; E196-R251 VanDerWaalsContact OE1-NE 3.1Å; E196-R251 IonicContact OE2-CZ 3.43Å; E196-R251 VanDerWaalsContact OE2-CZ 3.3Å; E196-R251 IonicContact OE2-NE 2.65Å; E196-R251 PolarHBondContact OE2-NE 3.44Å; E196-R251 IonicContact OE2-NH2 3.83Å; E196-R251 PolarHBondContact OE2-NH2 2.93Å | ||
| 197 | P | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -65.6 | 145 | 177.6 | -22.1 | 34.6 | 0 | 0 | 0 | 112.8 | L189 H190 W191 G195 I212 I248 L316 | L189-P197 HydrophobicContact CD1-CB 3.84Å; L189-P197 HydrophobicContact CD2-CB 4.47Å; L189-P197 HydrophobicContact CG-CB 4.01Å; H190-P197 VanDerWaalsContact O-CA 3.25Å; H190-P197 WeakPolarHBondContact O-CA 3.3Å; W191-P197 HydrophobicContact CE3-CG 4.07Å; W191-P197 HydrophobicContact CZ3-CG 4.14Å; G195-P197 WeakPolarHBondContact O-CD 3.44Å; P197-I212 HydrophobicContact CB-CG2 4.2Å; P197-I212 WeakPolarHBondContact O-CB 3.42Å; P197-I212 VanDerWaalsContact O-CG2 3.3Å; P197-I212 WeakPolarHBondContact O-CG2 3.45Å; P197-I212 PolarHBondContact O-N 3.47Å; P197-I248 HydrophobicContact CG-CD1 4.33Å; P197-L316 HydrophobicContact CB-CD2 4.03Å; P197-L316 HydrophobicContact CG-CD2 4.18Å | ||
| 198 | A | 94.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H190 L192 L209 | H190-A198 PolarHBondContact N-O 3.2Å; H190-A198 PolarHBondContact O-N 3.34Å; H190-A198 VanDerWaalsContact O-N 3.1Å; L192-A198 HydrophobicContact CD1-CB 3.94Å; L192-A198 HydrophobicContact CG-CB 4.48Å; A198-L209 HydrophobicContact CB-CD2 4.32Å |
| 199 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.8 | 174.3 | -167.7 | 71.8 | 0 | 0 | 0 | 110 | L187 L189 F201 L209 V210 I212 I215 I295 L309 | L187-L199 HydrophobicContact CB-CD1 4.34Å; L187-L199 HydrophobicContact CD2-CD2 4.39Å; L189-L199 HydrophobicContact CB-CD1 4.23Å; L189-L199 HydrophobicContact CD1-CB 4.25Å; L189-L199 HydrophobicContact CD1-CD1 4.03Å; L199-F201 HydrophobicContact CD2-CD1 4.36Å; L199-F201 HydrophobicContact CG-CD1 4.45Å; L199-L209 WeakPolarHBondContact O-CA 3.48Å; L199-V210 PolarHBondContact N-O 3.45Å; L199-V210 PolarHBondContact O-N 2.97Å; L199-I212 HydrophobicContact CB-CD1 4.06Å; L199-I212 HydrophobicContact CD2-CD1 4.46Å; L199-I215 HydrophobicContact CB-CD1 3.86Å; L199-I215 HydrophobicContact CD2-CD1 3.41Å; L199-I215 VanDerWaalsContact CD2-CD1 3.41Å; L199-I215 HydrophobicContact CG-CD1 4.21Å; L199-I295 HydrophobicContact CD2-CG2 4.38Å; L199-L309 HydrophobicContact CD1-CD2 4.31Å; L199-L309 HydrophobicContact CD2-CD2 4.31Å |
| 200 | A | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | M188 Q207 F208 L209 | M188-A200 HydrophobicContact CB-CB 3.89Å; M188-A200 HydrophobicContact CE-CB 4.34Å; M188-A200 PolarHBondContact N-O 2.99Å; M188-A200 WeakPolarHBondContact O-CB 3.14Å; M188-A200 PolarHBondContact O-N 3.31Å; A200-Q207 HydrophobicContact CB-CG 4.46Å; A200-F208 WeakPolarHBondContact CA-O 3.36Å; A200-L209 HydrophobicContact CB-CD2 3.82Å; A200-L209 HydrophobicContact CB-CG 4.01Å |
| 201 | F | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 164.8 | 175.3 | 57 | -88.8 | 0 | 0 | 0 | 110.3 | L187 L199 V203 Q207 F208 V210 I215 F271 L290 I295 | L187-F201 HydrophobicContact CD2-CB 3.89Å; L199-F201 HydrophobicContact CD2-CD1 4.36Å; L199-F201 HydrophobicContact CG-CD1 4.45Å; F201-V203 HydrophobicContact CD2-CG2 3.7Å; F201-V203 HydrophobicContact CE2-CG2 3.54Å; F201-Q207 WeakPolarHBondContact O-CA 3.45Å; F201-F208 HydrophobicContact CE2-CB 4.43Å; F201-F208 HydrophobicContact CZ-CB 4.49Å; F201-F208 PolarHBondContact N-O 3.49Å; F201-F208 PolarHBondContact O-N 3.39Å; F201-V210 HydrophobicContact CE1-CB 4.18Å; F201-V210 HydrophobicContact CE1-CG2 3.68Å; F201-V210 HydrophobicContact CZ-CG2 3.83Å; F201-I215 HydrophobicContact CE1-CD1 4.19Å; F201-F271 HydrophobicContact CE2-CE1 4.49Å; F201-F271 HydrophobicContact CE2-CZ 4.39Å; F201-F271 HydrophobicContact CZ-CE2 4.31Å; F201-F271 HydrophobicContact CZ-CZ 4.01Å; F201-L290 HydrophobicContact CE2-CD1 3.98Å; F201-L290 HydrophobicContact CZ-CD2 4.41Å; F201-I295 HydrophobicContact CD1-CD1 4.47Å; F201-I295 HydrophobicContact CD1-CG1 4.38Å; F201-I295 HydrophobicContact CE1-CD1 4.27Å; F201-I295 HydrophobicContact CG-CG1 4.45Å |
| 202 | I | 89 | Confident | 90.6 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 28% | 0.277 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.3 | -175.5 | -59.2 | 173.3 | 0 | 0 | 0 | 109.7 | E206 Q207 Y294 | I202-E206 CarbonylContact C-O 3.53Å; I202-E206 VanDerWaalsContact CA-O 3.29Å; I202-E206 WeakPolarHBondContact CA-O 3.46Å; I202-Q207 HydrophobicContact CG1-CB 4.35Å; I202-Q207 HydrophobicContact CG1-CG 4.45Å; I202-Y294 WeakPolarHBondContact O-CD1 3.37Å |
| 203 | V | 87.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.4 | 172 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | F201 R205 E206 F208 R274 M275 L290 Y294 | F201-V203 HydrophobicContact CD2-CG2 3.7Å; F201-V203 HydrophobicContact CE2-CG2 3.54Å; V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact O-N 3.13Å; V203-E206 PolarHBondContact N-O 3.3Å; V203-E206 PolarHBondContact O-N 2.93Å; V203-F208 HydrophobicContact CB-CD2 3.92Å; V203-F208 HydrophobicContact CB-CE2 3.85Å; V203-F208 HydrophobicContact CG2-CD2 4.09Å; V203-F208 HydrophobicContact CG2-CE2 4.48Å; V203-R274 HydrophobicContact CG1-CB 4.33Å; V203-M275 HydrophobicContact CG1-CG 3.8Å; V203-L290 HydrophobicContact CG2-CD1 3.99Å; V203-Y294 HydrophobicContact CB-CD1 4.36Å; V203-Y294 HydrophobicContact CB-CE1 4.2Å; V203-Y294 HydrophobicContact CG1-CD1 4.46Å; V203-Y294 HydrophobicContact CG1-CE1 3.92Å; V203-Y294 HydrophobicContact CG1-CE2 4.48Å; V203-Y294 HydrophobicContact CG2-CD1 3.93Å; V203-Y294 HydrophobicContact CG2-CE1 4.23Å; V203-Y294 HydrophobicContact CG2-CG 4.15Å |
| 204 | E | 79.5 | Confident | 90.7 | Very high | 104 Ų | 104 | 34.6 Ų | 34.6 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 49.1 | 177 | -62.9 | -50.2 | 128.1 | 0 | 0 | 114.9 | E206 R274 Y294 | E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 3.12Å; E204-R274 WeakPolarHBondContact CG-O 3.25Å; E204-Y294 PolarHBondContact OE1-OH 2.81Å |
| 205 | R | 78.1 | Confident | 91 | Very high | 143 Ų | 143 | 30.7 Ų | 30.7 | 54% | 0.54 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -5.8 | 179.4 | -50 | 165 | 173.6 | 172.5 | 2 | 116 | V203 S406 S409 T410 | V203-R205 VanDerWaalsContact C-N 3.3Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact O-N 3.13Å; R205-S406 PolarHBondContact NH2-O 2.64Å; R205-S406 VanDerWaalsContact NH2-O 3.12Å; R205-S409 PolarHBondContact NE-OG 3.04Å; R205-T410 WeakPolarHBondContact CG-OG1 3.46Å; R205-T410 PolarHBondContact NE-OG1 3.19Å |
| 206 | E | 85.1 | Confident | 91.4 | Very high | 89 Ų | 89 | 30.5 Ų | 30.5 | 42% | 0.416 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.4 | 175.7 | -69.1 | -175.7 | 162.1 | 0 | 0 | 110.3 | I202 V203 E204 F208 R274 | I202-E206 CarbonylContact C-O 3.53Å; I202-E206 VanDerWaalsContact CA-O 3.29Å; I202-E206 WeakPolarHBondContact CA-O 3.46Å; V203-E206 PolarHBondContact N-O 3.3Å; V203-E206 PolarHBondContact O-N 2.93Å; E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 3.12Å; E206-F208 HydrophobicContact CB-CD2 4.35Å; E206-F208 HydrophobicContact CB-CE2 3.55Å; E206-F208 HydrophobicContact CB-CZ 3.82Å; E206-F208 WeakPolarHBondContact O-CD2 3.38Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.4Å; E206-R274 IonicContact OE2-CZ 2.68Å; E206-R274 IonicContact OE2-NE 3.06Å; E206-R274 PolarHBondContact OE2-NE 3.1Å; E206-R274 IonicContact OE2-NH2 3.53Å |
| 207 | Q | 88.5 | Confident | 91.7 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.8 | 174.2 | -173.6 | -177.9 | -19.9 | 0 | 0 | 109.3 | R164 M188 A200 F201 I202 | R164-Q207 VanDerWaalsContact NH1-CD 3.32Å; M188-Q207 VanDerWaalsContact CE-NE2 3.26Å; A200-Q207 HydrophobicContact CB-CG 4.46Å; F201-Q207 WeakPolarHBondContact O-CA 3.45Å; I202-Q207 HydrophobicContact CG1-CB 4.35Å; I202-Q207 HydrophobicContact CG1-CG 4.45Å |
| 208 | F | 92.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 153.3 | 175.7 | -65 | -84.6 | 0 | 0 | 0 | 110.6 | A200 F201 V203 E206 F271 R274 | A200-F208 WeakPolarHBondContact CA-O 3.36Å; F201-F208 HydrophobicContact CE2-CB 4.43Å; F201-F208 HydrophobicContact CZ-CB 4.49Å; F201-F208 PolarHBondContact N-O 3.49Å; F201-F208 PolarHBondContact O-N 3.39Å; V203-F208 HydrophobicContact CB-CD2 3.92Å; V203-F208 HydrophobicContact CB-CE2 3.85Å; V203-F208 HydrophobicContact CG2-CD2 4.09Å; V203-F208 HydrophobicContact CG2-CE2 4.48Å; E206-F208 HydrophobicContact CB-CD2 4.35Å; E206-F208 HydrophobicContact CB-CE2 3.55Å; E206-F208 HydrophobicContact CB-CZ 3.82Å; E206-F208 WeakPolarHBondContact O-CD2 3.38Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.4Å; F208-F271 HydrophobicContact CB-CE1 3.89Å; F208-F271 HydrophobicContact CB-CZ 4Å; F208-F271 AromaticContact CD1-CE1 3.65Å; F208-F271 HydrophobicContact CD1-CE1 3.65Å; F208-F271 HydrophobicContact CD1-CZ 4.22Å; F208-F271 AromaticContact CD2-CE1 3.8Å; F208-F271 HydrophobicContact CD2-CE1 3.8Å; F208-F271 HydrophobicContact CE1-CE1 4.09Å; F208-F271 HydrophobicContact CE2-CE1 4.22Å; F208-F271 AromaticContact CG-CE1 3.49Å; F208-F271 HydrophobicContact CG-CE1 3.49Å; F208-F271 VanDerWaalsContact CG-CE1 3.49Å; F208-F271 HydrophobicContact CG-CZ 4.08Å; F208-F271 HydrophobicContact CZ-CE1 4.35Å; F208-R274 HydrophobicContact CZ-CG 4.18Å |
| 209 | L | 92.5 | Very high | 91.7 | Very high | 67 Ų | 67 | 30.1 Ų | 30.1 | 35% | 0.351 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.8 | 174.9 | -70.8 | 117.9 | 0 | 0 | 0 | 108.9 | Y168 A198 L199 A200 | Y168-L209 HydrophobicContact CE1-CD2 4.01Å; Y168-L209 VanDerWaalsContact OH-CD2 3.31Å; Y168-L209 WeakPolarHBondContact OH-CD2 3.28Å; A198-L209 HydrophobicContact CB-CD2 4.32Å; L199-L209 WeakPolarHBondContact O-CA 3.48Å; A200-L209 HydrophobicContact CB-CD2 3.82Å; A200-L209 HydrophobicContact CB-CG 4.01Å |
| 210 | V | 94.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.7 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L199 F201 I212 I214 I215 L267 F271 | L199-V210 PolarHBondContact N-O 3.45Å; L199-V210 PolarHBondContact O-N 2.97Å; F201-V210 HydrophobicContact CE1-CB 4.18Å; F201-V210 HydrophobicContact CE1-CG2 3.68Å; F201-V210 HydrophobicContact CZ-CG2 3.83Å; V210-I212 PolarHBondContact O-N 3.13Å; V210-I214 HydrophobicContact CG1-CB 4.28Å; V210-I214 HydrophobicContact CG1-CD1 4.49Å; V210-I215 HydrophobicContact CB-CD1 4.06Å; V210-I215 HydrophobicContact CB-CG1 4.4Å; V210-I215 HydrophobicContact CG1-CD1 4.12Å; V210-I215 HydrophobicContact CG1-CG1 3.9Å; V210-L267 HydrophobicContact CG1-CD2 4.12Å; V210-F271 HydrophobicContact CG2-CE2 4.17Å; V210-F271 HydrophobicContact CG2-CZ 4.08Å |
| 211 | P | 94.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 134.3 | 171.7 | -25.1 | 33.5 | 0 | 0 | 0 | 111.5 | E196 S213 I214 | E196-P211 WeakPolarHBondContact OE1-CB 3.48Å; P211-S213 PolarHBondContact O-N 3.41Å; P211-I214 HydrophobicContact CB-CD1 4.4Å; P211-I214 HydrophobicContact CB-CG1 4.48Å; P211-I214 HydrophobicContact CG-CD1 4.24Å; P211-I214 PolarHBondContact O-N 3.17Å |
| 212 | I | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -30.1 | -172.5 | -166.9 | 59.1 | 0 | 0 | 0 | 112.5 | L189 P197 L199 V210 I214 I215 L216 I248 L309 I313 | L189-I212 HydrophobicContact CD1-CB 4.14Å; L189-I212 HydrophobicContact CD1-CD1 3.87Å; L189-I212 HydrophobicContact CD1-CG1 4.01Å; P197-I212 HydrophobicContact CB-CG2 4.2Å; P197-I212 WeakPolarHBondContact O-CB 3.42Å; P197-I212 VanDerWaalsContact O-CG2 3.3Å; P197-I212 WeakPolarHBondContact O-CG2 3.45Å; P197-I212 PolarHBondContact O-N 3.47Å; L199-I212 HydrophobicContact CB-CD1 4.06Å; L199-I212 HydrophobicContact CD2-CD1 4.46Å; V210-I212 PolarHBondContact O-N 3.13Å; I212-I214 PolarHBondContact O-N 2.84Å; I212-I215 PolarHBondContact O-N 3.04Å; I212-L216 HydrophobicContact CG1-CD1 4.38Å; I212-L216 HydrophobicContact CG1-CG 4.28Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 2.9Å; I212-I248 HydrophobicContact CG2-CD1 4.35Å; I212-I248 HydrophobicContact CG2-CG1 4.38Å; I212-I248 HydrophobicContact CG2-CG2 3.97Å; I212-L309 HydrophobicContact CD1-CB 4.44Å; I212-L309 HydrophobicContact CD1-CD1 4.17Å; I212-L309 HydrophobicContact CD1-CD2 4.17Å; I212-I313 HydrophobicContact CG1-CD1 3.81Å; I212-I313 HydrophobicContact CG1-CG1 4.19Å; I212-I313 HydrophobicContact CG2-CD1 4.27Å |
| 213 | S | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.5 | -49.7 | 177.4 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | E196 P211 I215 L216 R217 I248 | E196-S213 PolarHBondContact OE1-OG 2.89Å; P211-S213 PolarHBondContact O-N 3.41Å; S213-I215 VanDerWaalsContact C-N 3.33Å; S213-I215 PolarHBondContact O-N 3.41Å; S213-L216 PolarHBondContact O-N 2.85Å; S213-R217 PolarHBondContact O-N 3.28Å; S213-I248 WeakPolarHBondContact CB-O 3.37Å |
| 214 | I | 94.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | -179.6 | -55.2 | 176.6 | 0 | 0 | 0 | 110.8 | V210 P211 I212 R217 A218 Y257 A263 Y266 L267 | V210-I214 HydrophobicContact CG1-CB 4.28Å; V210-I214 HydrophobicContact CG1-CD1 4.49Å; P211-I214 HydrophobicContact CB-CD1 4.4Å; P211-I214 HydrophobicContact CB-CG1 4.48Å; P211-I214 HydrophobicContact CG-CD1 4.24Å; P211-I214 PolarHBondContact O-N 3.17Å; I212-I214 PolarHBondContact O-N 2.84Å; I214-R217 PolarHBondContact O-N 2.95Å; I214-A218 WeakPolarHBondContact O-CB 3.43Å; I214-A218 PolarHBondContact O-N 2.96Å; I214-Y257 HydrophobicContact CD1-CD1 4.29Å; I214-Y257 HydrophobicContact CD1-CD2 4.37Å; I214-Y257 HydrophobicContact CD1-CE1 4Å; I214-Y257 HydrophobicContact CD1-CE2 4.04Å; I214-Y257 HydrophobicContact CG1-CD1 4.23Å; I214-Y257 HydrophobicContact CG1-CD2 4.18Å; I214-Y257 HydrophobicContact CG1-CE1 4.44Å; I214-Y257 HydrophobicContact CG1-CE2 4.34Å; I214-Y257 HydrophobicContact CG1-CG 4.13Å; I214-Y257 HydrophobicContact CG2-CD1 4.07Å; I214-Y257 HydrophobicContact CG2-CE1 4.49Å; I214-A263 HydrophobicContact CG2-CB 4.5Å; I214-Y266 HydrophobicContact CD1-CE1 4.31Å; I214-Y266 HydrophobicContact CG2-CD1 4.42Å; I214-L267 HydrophobicContact CG2-CD1 4.33Å; I214-L267 HydrophobicContact CG2-CD2 4.19Å; I214-L267 HydrophobicContact CG2-CG 4.17Å |
| 215 | I | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -43.4 | -179.8 | -62.3 | -177.9 | 0 | 0 | 0 | 111.1 | L199 F201 V210 I212 S213 R217 A218 L219 L291 I295 L309 | L199-I215 HydrophobicContact CB-CD1 3.86Å; L199-I215 HydrophobicContact CD2-CD1 3.41Å; L199-I215 VanDerWaalsContact CD2-CD1 3.41Å; L199-I215 HydrophobicContact CG-CD1 4.21Å; F201-I215 HydrophobicContact CE1-CD1 4.19Å; V210-I215 HydrophobicContact CB-CD1 4.06Å; V210-I215 HydrophobicContact CB-CG1 4.4Å; V210-I215 HydrophobicContact CG1-CD1 4.12Å; V210-I215 HydrophobicContact CG1-CG1 3.9Å; I212-I215 PolarHBondContact O-N 3.04Å; S213-I215 VanDerWaalsContact C-N 3.33Å; S213-I215 PolarHBondContact O-N 3.41Å; I215-R217 VanDerWaalsContact C-N 3.32Å; I215-R217 PolarHBondContact O-N 2.94Å; I215-A218 PolarHBondContact O-N 2.82Å; I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 HydrophobicContact CG2-CG 4.5Å; I215-L219 WeakPolarHBondContact O-CG 3.26Å; I215-L219 PolarHBondContact O-N 2.89Å; I215-L219 VanDerWaalsContact O-N 3.08Å; I215-L291 HydrophobicContact CG2-CD2 4.29Å; I215-I295 HydrophobicContact CD1-CD1 3.98Å; I215-I295 HydrophobicContact CG2-CD1 4.27Å; I215-L309 HydrophobicContact CG2-CD1 3.65Å |
| 216 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 176.4 | -69.8 | 175.8 | 0 | 0 | 0 | 111.1 | I212 S213 A218 L219 V220 I227 I231 I248 Y306 L309 I313 | I212-L216 HydrophobicContact CG1-CD1 4.38Å; I212-L216 HydrophobicContact CG1-CG 4.28Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 2.9Å; S213-L216 PolarHBondContact O-N 2.85Å; L216-A218 VanDerWaalsContact C-N 3.35Å; L216-A218 PolarHBondContact O-N 3.37Å; L216-L219 PolarHBondContact O-N 3.44Å; L216-V220 PolarHBondContact O-N 3.17Å; L216-I227 HydrophobicContact CD1-CG2 4.22Å; L216-I231 HydrophobicContact CD1-CD1 4.27Å; L216-I248 HydrophobicContact CD1-CG2 4.48Å; L216-Y306 HydrophobicContact CB-CD2 4.27Å; L216-Y306 HydrophobicContact CB-CE2 4.08Å; L216-Y306 HydrophobicContact CD2-CD2 3.64Å; L216-Y306 HydrophobicContact CD2-CE2 3.75Å; L216-Y306 HydrophobicContact CG-CE2 4.41Å; L216-L309 HydrophobicContact CD2-CB 3.84Å; L216-L309 HydrophobicContact CD2-CD1 4.45Å; L216-I313 HydrophobicContact CD1-CD1 3.8Å |
| 217 | R | 94.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.1 | 175.3 | 68.1 | 74.6 | -150.1 | 5.9 | 112.8 | S213 I214 I215 L219 V220 K222 E224 L252 Y257 Q260 A263 | S213-R217 PolarHBondContact O-N 3.28Å; I214-R217 PolarHBondContact O-N 2.95Å; I215-R217 VanDerWaalsContact C-N 3.32Å; I215-R217 PolarHBondContact O-N 2.94Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-V220 VanDerWaalsContact O-O 3.1Å; R217-K222 PolarHBondContact NH1-O 3.43Å; R217-E224 IonicContact NH2-OE1 3.82Å; R217-L252 HydrophobicContact CB-CD2 3.73Å; R217-L252 HydrophobicContact CG-CD2 4.23Å; R217-Y257 VanDerWaalsContact CG-O 3.3Å; R217-Y257 WeakPolarHBondContact CG-O 3.37Å; R217-Y257 PolarHBondContact NE-O 2.99Å; R217-Q260 WeakPolarHBondContact O-CA 3.37Å; R217-Q260 WeakPolarHBondContact O-CG 3.46Å; R217-A263 HydrophobicContact CB-CB 4.29Å; R217-A263 HydrophobicContact CG-CB 3.74Å |
| 218 | A | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.7 | -28.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I214 I215 L216 Q260 A263 L264 L267 L291 | I214-A218 WeakPolarHBondContact O-CB 3.43Å; I214-A218 PolarHBondContact O-N 2.96Å; I215-A218 PolarHBondContact O-N 2.82Å; L216-A218 VanDerWaalsContact C-N 3.35Å; L216-A218 PolarHBondContact O-N 3.37Å; A218-Q260 WeakPolarHBondContact O-CG 3.26Å; A218-Q260 PolarHBondContact O-NE2 3.18Å; A218-A263 HydrophobicContact CB-CB 4.06Å; A218-L264 HydrophobicContact CB-CD2 4.03Å; A218-L264 HydrophobicContact CB-CG 4.21Å; A218-L267 HydrophobicContact CB-CD1 3.75Å; A218-L291 HydrophobicContact CB-CD1 3.91Å |
| 219 | L | 95.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.7 | -38.8 | -179.4 | -74.5 | 165.5 | 0 | 0 | 0 | 113.4 | I215 L216 R217 Q260 L291 F302 K305 L309 | I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 HydrophobicContact CG2-CG 4.5Å; I215-L219 WeakPolarHBondContact O-CG 3.26Å; I215-L219 PolarHBondContact O-N 2.89Å; I215-L219 VanDerWaalsContact O-N 3.08Å; L216-L219 PolarHBondContact O-N 3.44Å; R217-L219 VanDerWaalsContact C-N 3.33Å; L219-Q260 PolarHBondContact O-NE2 2.93Å; L219-Q260 VanDerWaalsContact O-NE2 3.12Å; L219-L291 HydrophobicContact CD2-CB 4.35Å; L219-L291 HydrophobicContact CD2-CD1 3.84Å; L219-L291 HydrophobicContact CD2-CG 4.47Å; L219-L291 HydrophobicContact CG-CD1 4.14Å; L219-F302 HydrophobicContact CD2-CB 3.99Å; L219-F302 HydrophobicContact CD2-CD1 4.32Å; L219-F302 HydrophobicContact CD2-CD2 4.42Å; L219-F302 HydrophobicContact CD2-CG 4.02Å; L219-F302 WeakPolarHBondContact O-CB 3.4Å; L219-K305 HydrophobicContact CD1-CB 4.14Å; L219-K305 HydrophobicContact CD2-CB 3.92Å; L219-K305 HydrophobicContact CD2-CD 4.2Å; L219-L309 HydrophobicContact CD1-CD1 3.62Å |
| 220 | V | 92.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | trans | -137.8 | 147.3 | -172.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | L216 R217 K222 L303 Y306 | L216-V220 PolarHBondContact O-N 3.17Å; R217-V220 VanDerWaalsContact O-O 3.1Å; V220-K222 VanDerWaalsContact C-N 3.28Å; V220-K222 HydrophobicContact CB-CG 4.24Å; V220-K222 HydrophobicContact CG2-CB 4.13Å; V220-K222 HydrophobicContact CG2-CD 4.21Å; V220-K222 HydrophobicContact CG2-CG 3.96Å; V220-K222 PolarHBondContact O-N 2.88Å; V220-K222 VanDerWaalsContact O-N 3.15Å; V220-L303 HydrophobicContact CG1-CD1 3.87Å; V220-Y306 HydrophobicContact CB-CG 4.46Å; V220-Y306 HydrophobicContact CG1-CD1 4.17Å; V220-Y306 HydrophobicContact CG1-CD2 4.35Å; V220-Y306 HydrophobicContact CG1-CG 3.84Å; V220-Y306 HydrophobicContact CG2-CD1 4.1Å; V220-Y306 HydrophobicContact CG2-CD2 3.44Å; V220-Y306 VanDerWaalsContact CG2-CD2 3.44Å; V220-Y306 HydrophobicContact CG2-CE1 4.25Å; V220-Y306 HydrophobicContact CG2-CE2 3.59Å; V220-Y306 HydrophobicContact CG2-CG 3.72Å | ||
| 221 | K | 91.8 | Very high | 91.8 | Very high | 189 Ų | 189 | 33.4 Ų | 33.4 | 82% | 0.822 | 16% | 0.161 | S | C | * | . | trans | -87.5 | 58.9 | 174.7 | -161.7 | -179.9 | 177.5 | -179.1 | 0 | 111.6 | ||||
| 222 | K | 89.5 | Confident | 91.4 | Very high | 32 Ų | 32 | 34 Ų | 34 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | trans | -101.5 | 156.1 | 178.4 | -74.3 | -165.7 | 175.7 | -164.1 | 0 | 112.7 | R217 V220 E226 I227 D230 Y306 E515 | R217-K222 PolarHBondContact NH1-O 3.43Å; V220-K222 VanDerWaalsContact C-N 3.28Å; V220-K222 HydrophobicContact CB-CG 4.24Å; V220-K222 HydrophobicContact CG2-CB 4.13Å; V220-K222 HydrophobicContact CG2-CD 4.21Å; V220-K222 HydrophobicContact CG2-CG 3.96Å; V220-K222 PolarHBondContact O-N 2.88Å; V220-K222 VanDerWaalsContact O-N 3.15Å; K222-E226 WeakPolarHBondContact CA-OE2 3.49Å; K222-E226 HydrophobicContact CB-CB 3.99Å; K222-E226 VanDerWaalsContact CB-OE2 3.26Å; K222-E226 WeakPolarHBondContact CB-OE2 3.1Å; K222-E226 HydrophobicContact CD-CB 4.12Å; K222-E226 HydrophobicContact CG-CB 4.39Å; K222-E226 WeakPolarHBondContact CG-OE2 3.49Å; K222-I227 HydrophobicContact CB-CG1 4.04Å; K222-D230 WeakPolarHBondContact CD-OD2 3.37Å; K222-D230 IonicContact NZ-OD1 3.68Å; K222-D230 IonicContact NZ-OD2 2.81Å; K222-D230 PolarHBondContact NZ-OD2 3.3Å; K222-Y306 HydrophobicContact CD-CE1 4.25Å; K222-E515 WeakPolarHBondContact CE-OE1 3.36Å; K222-E515 VanDerWaalsContact NZ-CD 3.33Å; K222-E515 IonicContact NZ-OE1 3.3Å; K222-E515 PolarHBondContact NZ-OE1 3.44Å; K222-E515 IonicContact NZ-OE2 3.01Å | ||
| 223 | T | 89.8 | Confident | 90.6 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 46% | 0.46 | 16% | 0.164 | S | C | . | . | trans | -72.3 | 160.3 | 170.6 | 66.5 | 0 | 0 | 0 | 0 | 111 | F225 E226 I227 | T223-F225 PolarHBondContact O-N 3.01Å; T223-E226 PolarHBondContact N-OE2 3.48Å; T223-E226 PolarHBondContact O-N 3Å; T223-E226 VanDerWaalsContact O-N 3.17Å; T223-E226 VanDerWaalsContact OG1-CG 3.27Å; T223-E226 WeakPolarHBondContact OG1-CG 3.22Å; T223-E226 PolarHBondContact OG1-N 2.87Å; T223-I227 WeakPolarHBondContact O-CG1 3.47Å; T223-I227 PolarHBondContact O-N 3.13Å | ||
| 224 | E | 89.6 | Confident | 89.5 | Confident | 79 Ų | 79 | 35.8 Ų | 35.8 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.2 | -38 | 176.1 | -63.6 | 160.1 | 169.7 | 0 | 0 | 111.3 | R217 I227 F228 L249 | R217-E224 IonicContact NH2-OE1 3.82Å; E224-I227 PolarHBondContact O-N 2.97Å; E224-F228 WeakPolarHBondContact O-CB 3.46Å; E224-F228 PolarHBondContact O-N 3.41Å; E224-L249 WeakPolarHBondContact O-CD1 3.41Å |
| 225 | F | 88.5 | Confident | 88.2 | Confident | 120 Ų | 120 | 37.5 Ų | 37.5 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.5 | -174.9 | -128.5 | 0 | 0 | 0 | 112.6 | T223 F228 D229 R518 | T223-F225 PolarHBondContact O-N 3.01Å; F225-F228 HydrophobicContact CD2-CD1 4.31Å; F225-F228 HydrophobicContact CE2-CD1 4.35Å; F225-F228 WeakPolarHBondContact O-CB 3.29Å; F225-F228 PolarHBondContact O-N 3.43Å; F225-D229 WeakPolarHBondContact O-CB 3.45Å; F225-D229 PolarHBondContact O-N 3.44Å; F225-R518 VanDerWaalsContact CZ-NH2 3.3Å |
| 226 | E | 89.1 | Confident | 86.7 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 172 | -73.9 | 166.5 | 173.5 | 0 | 0 | 111.6 | K222 T223 F228 D229 D230 | K222-E226 WeakPolarHBondContact CA-OE2 3.49Å; K222-E226 HydrophobicContact CB-CB 3.99Å; K222-E226 VanDerWaalsContact CB-OE2 3.26Å; K222-E226 WeakPolarHBondContact CB-OE2 3.1Å; K222-E226 HydrophobicContact CD-CB 4.12Å; K222-E226 HydrophobicContact CG-CB 4.39Å; K222-E226 WeakPolarHBondContact CG-OE2 3.49Å; T223-E226 PolarHBondContact N-OE2 3.48Å; T223-E226 PolarHBondContact O-N 3Å; T223-E226 VanDerWaalsContact O-N 3.17Å; T223-E226 VanDerWaalsContact OG1-CG 3.27Å; T223-E226 WeakPolarHBondContact OG1-CG 3.22Å; T223-E226 PolarHBondContact OG1-N 2.87Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 2.97Å; E226-D229 WeakPolarHBondContact O-CB 3.48Å; E226-D229 PolarHBondContact O-N 3.22Å; E226-D230 WeakPolarHBondContact O-CB 3.38Å; E226-D230 PolarHBondContact O-N 3.03Å |
| 227 | I | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -40 | 176.5 | -61.5 | 169 | 0 | 0 | 0 | 110.9 | L216 K222 T223 E224 D230 I231 L249 L252 Y306 | L216-I227 HydrophobicContact CD1-CG2 4.22Å; K222-I227 HydrophobicContact CB-CG1 4.04Å; T223-I227 WeakPolarHBondContact O-CG1 3.47Å; T223-I227 PolarHBondContact O-N 3.13Å; E224-I227 PolarHBondContact O-N 2.97Å; I227-D230 PolarHBondContact O-N 2.99Å; I227-I231 HydrophobicContact CG2-CD1 3.94Å; I227-I231 HydrophobicContact CG2-CG1 4.44Å; I227-I231 VanDerWaalsContact O-CG1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.46Å; I227-I231 PolarHBondContact O-N 3.42Å; I227-L249 HydrophobicContact CB-CD2 3.9Å; I227-L249 HydrophobicContact CG2-CD2 3.68Å; I227-L252 HydrophobicContact CD1-CD1 4.18Å; I227-Y306 WeakPolarHBondContact CA-OH 3.39Å; I227-Y306 HydrophobicContact CG1-CE2 4.35Å; I227-Y306 HydrophobicContact CG2-CE2 4.49Å |
| 228 | F | 90.4 | Very high | 84.5 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 173.2 | 179.8 | -106.9 | 0 | 0 | 0 | 111.9 | E224 F225 E226 I231 R232 E242 A245 M246 L249 | E224-F228 WeakPolarHBondContact O-CB 3.46Å; E224-F228 PolarHBondContact O-N 3.41Å; F225-F228 HydrophobicContact CD2-CD1 4.31Å; F225-F228 HydrophobicContact CE2-CD1 4.35Å; F225-F228 WeakPolarHBondContact O-CB 3.29Å; F225-F228 PolarHBondContact O-N 3.43Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 2.97Å; F228-I231 PolarHBondContact O-N 3.28Å; F228-R232 VanDerWaalsContact CE1-CD 3.42Å; F228-R232 VanDerWaalsContact CZ-CD 3.41Å; F228-R232 WeakPolarHBondContact O-CG 3.46Å; F228-R232 PolarHBondContact O-N 3.31Å; F228-E242 HydrophobicContact CE2-CB 4.43Å; F228-E242 HydrophobicContact CZ-CB 4.24Å; F228-E242 HydrophobicContact CZ-CG 4.37Å; F228-A245 HydrophobicContact CD2-CB 3.61Å; F228-A245 HydrophobicContact CE2-CB 3.83Å; F228-M246 HydrophobicContact CD2-CG 4.32Å; F228-M246 HydrophobicContact CE2-CE 4.12Å; F228-M246 HydrophobicContact CE2-CG 3.72Å; F228-M246 HydrophobicContact CZ-CE 3.96Å; F228-M246 HydrophobicContact CZ-CG 4.49Å; F228-L249 HydrophobicContact CB-CD1 3.54Å; F228-L249 HydrophobicContact CD2-CD1 4.04Å; F228-L249 HydrophobicContact CG-CD1 4.26Å |
| 229 | D | 86.4 | Confident | 83.9 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 179.1 | -152.1 | 68.1 | 0 | 0 | 0 | 111 | F225 E226 I231 R232 R233 R518 | F225-D229 WeakPolarHBondContact O-CB 3.45Å; F225-D229 PolarHBondContact O-N 3.44Å; E226-D229 WeakPolarHBondContact O-CB 3.48Å; E226-D229 PolarHBondContact O-N 3.22Å; D229-I231 PolarHBondContact O-N 3.49Å; D229-R232 PolarHBondContact O-N 3.43Å; D229-R232 VanDerWaalsContact O-N 3.17Å; D229-R233 PolarHBondContact O-N 2.88Å; D229-R233 IonicContact OD2-NH2 3.71Å; D229-R518 IonicContact OD1-NH2 2.81Å; D229-R518 PolarHBondContact OD1-NH2 2.99Å; D229-R518 IonicContact OD2-NE 3.49Å; D229-R518 IonicContact OD2-NH2 3.8Å; D229-R518 PolarHBondContact OD2-NH2 3.36Å |
| 230 | D | 87.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -34.6 | -178.5 | -73.9 | -27 | 0 | 0 | 0 | 113.1 | K222 E226 I227 R232 R233 Y306 K314 | K222-D230 WeakPolarHBondContact CD-OD2 3.37Å; K222-D230 IonicContact NZ-OD1 3.68Å; K222-D230 IonicContact NZ-OD2 2.81Å; K222-D230 PolarHBondContact NZ-OD2 3.3Å; E226-D230 WeakPolarHBondContact O-CB 3.38Å; E226-D230 PolarHBondContact O-N 3.03Å; I227-D230 PolarHBondContact O-N 2.99Å; D230-R232 VanDerWaalsContact C-N 3.35Å; D230-R233 IonicContact OD1-CZ 3.49Å; D230-R233 IonicContact OD1-NH1 3.56Å; D230-R233 PolarHBondContact OD1-NH1 3.08Å; D230-Y306 HydrophobicContact CB-CE1 4.15Å; D230-Y306 WeakPolarHBondContact CB-OH 3.38Å; D230-Y306 WeakPolarHBondContact OD2-CE1 3.26Å; D230-Y306 PolarHBondContact OD2-OH 3.5Å; D230-K314 PolarHBondContact O-NZ 2.81Å |
| 231 | I | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 173 | -69.6 | 168.6 | 0 | 0 | 0 | 110.4 | L216 I227 F228 D229 L241 A245 I248 I313 K314 | L216-I231 HydrophobicContact CD1-CD1 4.27Å; I227-I231 HydrophobicContact CG2-CD1 3.94Å; I227-I231 HydrophobicContact CG2-CG1 4.44Å; I227-I231 VanDerWaalsContact O-CG1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.46Å; I227-I231 PolarHBondContact O-N 3.42Å; F228-I231 PolarHBondContact O-N 3.28Å; D229-I231 PolarHBondContact O-N 3.49Å; I231-L241 HydrophobicContact CG2-CD1 4.45Å; I231-A245 HydrophobicContact CB-CB 4.27Å; I231-A245 HydrophobicContact CD1-CB 4.47Å; I231-A245 HydrophobicContact CG2-CB 3.84Å; I231-I248 HydrophobicContact CD1-CD1 4.46Å; I231-I248 HydrophobicContact CD1-CG2 4.46Å; I231-I313 HydrophobicContact CD1-CD1 4.49Å; I231-I313 HydrophobicContact CG1-CD1 4.5Å; I231-I313 HydrophobicContact CG2-CG2 4.06Å; I231-K314 WeakPolarHBondContact O-CD 3.5Å; I231-K314 WeakPolarHBondContact O-CG 3.45Å |
| 232 | R | 84.8 | Confident | 83 | Confident | 40 Ų | 40 | 49 Ų | 49 | 15% | 0.151 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -80 | -22.6 | -178 | -71.7 | 171.1 | 53.6 | 154.5 | 7.8 | 114.4 | F228 D229 D230 G234 C235 E242 | F228-R232 VanDerWaalsContact CE1-CD 3.42Å; F228-R232 VanDerWaalsContact CZ-CD 3.41Å; F228-R232 WeakPolarHBondContact O-CG 3.46Å; F228-R232 PolarHBondContact O-N 3.31Å; D229-R232 PolarHBondContact O-N 3.43Å; D229-R232 VanDerWaalsContact O-N 3.17Å; D230-R232 VanDerWaalsContact C-N 3.35Å; R232-G234 PolarHBondContact O-N 2.71Å; R232-C235 WeakPolarHBondContact O-CB 3.39Å; R232-C235 PolarHBondContact O-N 3.33Å; R232-C235 VanDerWaalsContact O-N 3.12Å; R232-E242 IonicContact CZ-OE1 3.11Å; R232-E242 IonicContact CZ-OE2 3.98Å; R232-E242 IonicContact NE-OE1 3.44Å; R232-E242 IonicContact NH1-OE1 3.43Å; R232-E242 PolarHBondContact NH1-OE1 3.38Å; R232-E242 VanDerWaalsContact NH1-OE1 3.16Å; R232-E242 IonicContact NH1-OE2 3.78Å; R232-E242 PolarHBondContact NH1-OE2 2.87Å; R232-E242 VanDerWaalsContact NH2-CD 3.29Å; R232-E242 IonicContact NH2-OE1 2.76Å; R232-E242 PolarHBondContact NH2-OE1 3.16Å; R232-E242 IonicContact NH2-OE2 3.74Å |
| 233 | R | 79.1 | Confident | 82.9 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 128.7 | -170.5 | -126.5 | 178.7 | -158.6 | 149.4 | 14.5 | 113.5 | D229 D230 C235 K314 I514 E525 | D229-R233 PolarHBondContact O-N 2.88Å; D229-R233 IonicContact OD2-NH2 3.71Å; D230-R233 IonicContact OD1-CZ 3.49Å; D230-R233 IonicContact OD1-NH1 3.56Å; D230-R233 PolarHBondContact OD1-NH1 3.08Å; R233-C235 VanDerWaalsContact C-N 3.33Å; R233-K314 PolarHBondContact O-NZ 3.4Å; R233-I514 PolarHBondContact NH1-O 3.43Å; R233-E525 WeakPolarHBondContact CG-OE1 3.37Å |
| 234 | G | 69.2 | Low | 82.9 | Confident | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R232 A529 | R232-G234 PolarHBondContact O-N 2.71Å; G234-A529 PolarHBondContact O-N 2.76Å |
| 235 | C | 67.4 | Low | 82.9 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 28% | 0.277 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -99.7 | 3.2 | -178.5 | -67.4 | 0 | 0 | 0 | 0 | 114.5 | R232 R233 L241 | R232-C235 WeakPolarHBondContact O-CB 3.39Å; R232-C235 PolarHBondContact O-N 3.33Å; R232-C235 VanDerWaalsContact O-N 3.12Å; R233-C235 VanDerWaalsContact C-N 3.33Å; C235-L241 HydrophobicContact CB-CD2 3.69Å |
| 236 | G | 65.8 | Low | 83 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | trans | 64.9 | -158.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S238 | G236-S238 PolarHBondContact O-N 2.94Å; G236-S238 VanDerWaalsContact O-N 3.13Å | ||
| 237 | E | 66 | Low | 83.1 | Confident | 157 Ų | 157 | 45.9 Ų | 45.9 | 73% | 0.734 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -84 | 79 | 178.5 | -65.9 | -176.1 | 170.5 | 0 | 0 | 110.8 | ||
| 238 | S | 77.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | trans | -100.4 | 98 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | G236 S240 L241 E242 | G236-S238 PolarHBondContact O-N 2.94Å; G236-S238 VanDerWaalsContact O-N 3.13Å; S238-S240 PolarHBondContact O-N 3.17Å; S238-S240 VanDerWaalsContact O-N 3.11Å; S238-L241 PolarHBondContact O-N 3.02Å; S238-E242 WeakPolarHBondContact O-CG 3.35Å; S238-E242 PolarHBondContact O-N 3.35Å | ||
| 239 | F | 82.9 | Confident | 83.1 | Confident | 169 Ų | 169 | 45.7 Ų | 45.7 | 74% | 0.741 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -50.2 | -38.4 | 179.6 | -88.9 | -80.3 | 0 | 0 | 0 | 114.1 | E242 E243 | F239-E242 WeakPolarHBondContact O-CB 3.3Å; F239-E242 PolarHBondContact O-N 2.71Å; F239-E243 PolarHBondContact O-N 3.21Å |
| 240 | S | 86.7 | Confident | 83.3 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.5 | -35.4 | 179.8 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | S238 E242 N244 H317 | S238-S240 PolarHBondContact O-N 3.17Å; S238-S240 VanDerWaalsContact O-N 3.11Å; S240-E242 VanDerWaalsContact C-N 3.32Å; S240-N244 WeakPolarHBondContact O-CB 3.48Å; S240-N244 PolarHBondContact O-N 3.12Å; S240-H317 PolarHBondContact OG-CE1 3.04Å; S240-H317 PolarHBondContact OG-NE2 2.78Å |
| 241 | L | 85.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 174 | -175.7 | 64.3 | 0 | 0 | 0 | 110.6 | I231 C235 S238 N244 A245 K314 H317 | I231-L241 HydrophobicContact CG2-CD1 4.45Å; C235-L241 HydrophobicContact CB-CD2 3.69Å; S238-L241 PolarHBondContact O-N 3.02Å; L241-N244 PolarHBondContact O-N 3.27Å; L241-A245 VanDerWaalsContact O-CB 3.29Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 3.49Å; L241-K314 HydrophobicContact CD2-CG 4.47Å; L241-H317 HydrophobicContact CD1-CB 3.97Å; L241-H317 PolarHBondContact N-NE2 3.25Å |
| 242 | E | 87.7 | Confident | 83.2 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 174 | -62.9 | -172.9 | -161.4 | 0 | 0 | 111.7 | F228 R232 S238 F239 S240 N244 A245 M246 | F228-E242 HydrophobicContact CE2-CB 4.43Å; F228-E242 HydrophobicContact CZ-CB 4.24Å; F228-E242 HydrophobicContact CZ-CG 4.37Å; R232-E242 IonicContact CZ-OE1 3.11Å; R232-E242 IonicContact CZ-OE2 3.98Å; R232-E242 IonicContact NE-OE1 3.44Å; R232-E242 IonicContact NH1-OE1 3.43Å; R232-E242 PolarHBondContact NH1-OE1 3.38Å; R232-E242 VanDerWaalsContact NH1-OE1 3.16Å; R232-E242 IonicContact NH1-OE2 3.78Å; R232-E242 PolarHBondContact NH1-OE2 2.87Å; R232-E242 VanDerWaalsContact NH2-CD 3.29Å; R232-E242 IonicContact NH2-OE1 2.76Å; R232-E242 PolarHBondContact NH2-OE1 3.16Å; R232-E242 IonicContact NH2-OE2 3.74Å; S238-E242 WeakPolarHBondContact O-CG 3.35Å; S238-E242 PolarHBondContact O-N 3.35Å; F239-E242 WeakPolarHBondContact O-CB 3.3Å; F239-E242 PolarHBondContact O-N 2.71Å; S240-E242 VanDerWaalsContact C-N 3.32Å; E242-N244 VanDerWaalsContact C-N 3.31Å; E242-N244 PolarHBondContact O-N 2.76Å; E242-A245 PolarHBondContact O-N 3.48Å; E242-M246 WeakPolarHBondContact O-CG 3.47Å; E242-M246 PolarHBondContact O-N 3.44Å |
| 243 | E | 89 | Confident | 83.3 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 178.4 | -165.7 | -167.3 | 153.3 | 0 | 0 | 111.1 | F239 M246 R247 | F239-E243 PolarHBondContact O-N 3.21Å; E243-M246 PolarHBondContact O-N 3.45Å; E243-R247 WeakPolarHBondContact O-CG 3.39Å; E243-R247 PolarHBondContact O-N 3.21Å; E243-R247 IonicContact OE1-CZ 3.59Å; E243-R247 IonicContact OE1-NE 2.63Å; E243-R247 PolarHBondContact OE1-NE 2.99Å; E243-R247 VanDerWaalsContact OE1-NE 3.11Å; E243-R247 IonicContact OE1-NH2 3.43Å; E243-R247 PolarHBondContact OE1-NH2 3.15Å |
| 244 | N | 89 | Confident | 83.7 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 175.2 | 178.7 | 10.5 | 0 | 0 | 0 | 111.8 | W191 G195 S240 L241 E242 M246 R247 I248 | W191-N244 HydrophobicContact CH2-CB 4.46Å; W191-N244 VanDerWaalsContact CH2-ND2 3.33Å; W191-N244 WeakPolarHBondContact CH2-ND2 3.46Å; W191-N244 VanDerWaalsContact CZ3-ND2 3.29Å; W191-N244 WeakPolarHBondContact CZ3-ND2 3.39Å; G195-N244 PolarHBondContact O-OD1 3.4Å; S240-N244 WeakPolarHBondContact O-CB 3.48Å; S240-N244 PolarHBondContact O-N 3.12Å; L241-N244 PolarHBondContact O-N 3.27Å; E242-N244 VanDerWaalsContact C-N 3.31Å; E242-N244 PolarHBondContact O-N 2.76Å; N244-M246 VanDerWaalsContact C-N 3.29Å; N244-M246 PolarHBondContact O-N 3.17Å; N244-R247 WeakPolarHBondContact O-CB 3.25Å; N244-R247 PolarHBondContact O-N 2.86Å; N244-R247 VanDerWaalsContact O-N 3.12Å; N244-I248 WeakPolarHBondContact O-CG1 3.41Å; N244-I248 PolarHBondContact O-N 2.89Å |
| 245 | A | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F228 I231 L241 E242 I248 L249 | F228-A245 HydrophobicContact CD2-CB 3.61Å; F228-A245 HydrophobicContact CE2-CB 3.83Å; I231-A245 HydrophobicContact CB-CB 4.27Å; I231-A245 HydrophobicContact CD1-CB 4.47Å; I231-A245 HydrophobicContact CG2-CB 3.84Å; L241-A245 VanDerWaalsContact O-CB 3.29Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 3.49Å; E242-A245 PolarHBondContact O-N 3.48Å; A245-I248 PolarHBondContact O-N 3.09Å; A245-L249 WeakPolarHBondContact O-CD1 3.33Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.31Å; A245-L249 PolarHBondContact O-N 3.11Å |
| 246 | M | 90.6 | Very high | 85.2 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.3 | -69.1 | -170.5 | -164.3 | 0 | 0 | 111.7 | F228 E242 E243 N244 I248 L249 I250 | F228-M246 HydrophobicContact CD2-CG 4.32Å; F228-M246 HydrophobicContact CE2-CE 4.12Å; F228-M246 HydrophobicContact CE2-CG 3.72Å; F228-M246 HydrophobicContact CZ-CE 3.96Å; F228-M246 HydrophobicContact CZ-CG 4.49Å; E242-M246 WeakPolarHBondContact O-CG 3.47Å; E242-M246 PolarHBondContact O-N 3.44Å; E243-M246 PolarHBondContact O-N 3.45Å; N244-M246 VanDerWaalsContact C-N 3.29Å; N244-M246 PolarHBondContact O-N 3.17Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 3.04Å; M246-L249 PolarHBondContact O-N 3.07Å; M246-I250 WeakPolarHBondContact O-CG1 3.15Å; M246-I250 PolarHBondContact O-N 3.18Å; M246-I250 VanDerWaalsContact O-N 3.12Å |
| 247 | R | 89.7 | Confident | 86.3 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 178.1 | -74.7 | 175.4 | -178.5 | -121.4 | 4.3 | 112.5 | N194 E243 N244 L249 | N194-R247 PolarHBondContact O-NH1 3.21Å; E243-R247 WeakPolarHBondContact O-CG 3.39Å; E243-R247 PolarHBondContact O-N 3.21Å; E243-R247 IonicContact OE1-CZ 3.59Å; E243-R247 IonicContact OE1-NE 2.63Å; E243-R247 PolarHBondContact OE1-NE 2.99Å; E243-R247 VanDerWaalsContact OE1-NE 3.11Å; E243-R247 IonicContact OE1-NH2 3.43Å; E243-R247 PolarHBondContact OE1-NH2 3.15Å; N244-R247 WeakPolarHBondContact O-CB 3.25Å; N244-R247 PolarHBondContact O-N 2.86Å; N244-R247 VanDerWaalsContact O-N 3.12Å; R247-L249 VanDerWaalsContact C-N 3.28Å; R247-L249 PolarHBondContact O-N 2.97Å |
| 248 | I | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 175.1 | -67.7 | 169.7 | 0 | 0 | 0 | 110.9 | P197 I212 S213 L216 I231 N244 A245 M246 I313 | P197-I248 HydrophobicContact CG-CD1 4.33Å; I212-I248 HydrophobicContact CG2-CD1 4.35Å; I212-I248 HydrophobicContact CG2-CG1 4.38Å; I212-I248 HydrophobicContact CG2-CG2 3.97Å; S213-I248 WeakPolarHBondContact CB-O 3.37Å; L216-I248 HydrophobicContact CD1-CG2 4.48Å; I231-I248 HydrophobicContact CD1-CD1 4.46Å; I231-I248 HydrophobicContact CD1-CG2 4.46Å; N244-I248 WeakPolarHBondContact O-CG1 3.41Å; N244-I248 PolarHBondContact O-N 2.89Å; A245-I248 PolarHBondContact O-N 3.09Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 3.04Å; I248-I313 HydrophobicContact CD1-CD1 4.36Å; I248-I313 HydrophobicContact CD1-CG2 3.83Å |
| 249 | L | 91.1 | Very high | 87.9 | Confident | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80.1 | -20.9 | -173.9 | -66.2 | 168.8 | 0 | 0 | 0 | 114.1 | E224 I227 F228 A245 M246 R247 R251 L252 | E224-L249 WeakPolarHBondContact O-CD1 3.41Å; I227-L249 HydrophobicContact CB-CD2 3.9Å; I227-L249 HydrophobicContact CG2-CD2 3.68Å; F228-L249 HydrophobicContact CB-CD1 3.54Å; F228-L249 HydrophobicContact CD2-CD1 4.04Å; F228-L249 HydrophobicContact CG-CD1 4.26Å; A245-L249 WeakPolarHBondContact O-CD1 3.33Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.31Å; A245-L249 PolarHBondContact O-N 3.11Å; M246-L249 PolarHBondContact O-N 3.07Å; R247-L249 VanDerWaalsContact C-N 3.28Å; R247-L249 PolarHBondContact O-N 2.97Å; L249-R251 PolarHBondContact O-N 2.78Å; L249-L252 HydrophobicContact CD2-CD1 3.64Å; L249-L252 WeakPolarHBondContact O-CB 3.42Å; L249-L252 PolarHBondContact O-N 2.69Å |
| 250 | I | 90 | Very high | 88.4 | Confident | 105 Ų | 105 | 59 Ų | 59 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.6 | -41.5 | -178.2 | -72.7 | 168.4 | 0 | 0 | 0 | 111.8 | M246 L252 K253 | M246-I250 WeakPolarHBondContact O-CG1 3.15Å; M246-I250 PolarHBondContact O-N 3.18Å; M246-I250 VanDerWaalsContact O-N 3.12Å; I250-L252 PolarHBondContact O-N 3.25Å; I250-K253 WeakPolarHBondContact O-CB 3.11Å; I250-K253 PolarHBondContact O-N 3.48Å |
| 251 | R | 87.7 | Confident | 88.8 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 33% | 0.328 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -65.5 | -24.2 | -179.3 | -169.8 | -179 | -67.1 | -106.4 | -1.8 | 113.3 | E196 L249 K253 D254 Y257 | E196-R251 IonicContact OE1-NE 3.7Å; E196-R251 PolarHBondContact OE1-NE 3.18Å; E196-R251 VanDerWaalsContact OE1-NE 3.1Å; E196-R251 IonicContact OE2-CZ 3.43Å; E196-R251 VanDerWaalsContact OE2-CZ 3.3Å; E196-R251 IonicContact OE2-NE 2.65Å; E196-R251 PolarHBondContact OE2-NE 3.44Å; E196-R251 IonicContact OE2-NH2 3.83Å; E196-R251 PolarHBondContact OE2-NH2 2.93Å; L249-R251 PolarHBondContact O-N 2.78Å; R251-K253 PolarHBondContact O-N 3.19Å; R251-D254 WeakPolarHBondContact O-CB 3.44Å; R251-D254 PolarHBondContact O-N 2.97Å; R251-D254 VanDerWaalsContact O-N 3.17Å; R251-Y257 HydrophobicContact CG-CD2 4.32Å; R251-Y257 HydrophobicContact CG-CE2 4.3Å |
| 252 | L | 87.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -71.4 | -8.6 | -178.9 | -63 | -179.4 | 0 | 0 | 0 | 113.7 | R217 I227 L249 I250 | R217-L252 HydrophobicContact CB-CD2 3.73Å; R217-L252 HydrophobicContact CG-CD2 4.23Å; I227-L252 HydrophobicContact CD1-CD1 4.18Å; L249-L252 HydrophobicContact CD2-CD1 3.64Å; L249-L252 WeakPolarHBondContact O-CB 3.42Å; L249-L252 PolarHBondContact O-N 2.69Å; I250-L252 PolarHBondContact O-N 3.25Å |
| 253 | K | 85.4 | Confident | 89.5 | Confident | 157 Ų | 157 | 63.4 Ų | 63.4 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -71.6 | -19.5 | 171.7 | -65.4 | -175.8 | 178.8 | -177.8 | 0 | 113 | I250 R251 | I250-K253 WeakPolarHBondContact O-CB 3.11Å; I250-K253 PolarHBondContact O-N 3.48Å; R251-K253 PolarHBondContact O-N 3.19Å |
| 254 | D | 87.2 | Confident | 89.8 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -66.2 | 138 | 177.9 | -65.5 | -18.7 | 0 | 0 | 0 | 110.2 | R251 E256 Y257 S258 | R251-D254 WeakPolarHBondContact O-CB 3.44Å; R251-D254 PolarHBondContact O-N 2.97Å; R251-D254 VanDerWaalsContact O-N 3.17Å; D254-E256 PolarHBondContact O-N 3.43Å; D254-E256 VanDerWaalsContact O-N 3.11Å; D254-Y257 HydrophobicContact CB-CD2 3.99Å; D254-Y257 HydrophobicContact CB-CE2 4.12Å; D254-Y257 PolarHBondContact O-N 3.04Å; D254-S258 PolarHBondContact O-N 2.97Å |
| 255 | D | 82.8 | Confident | 90 | Very high | 121 Ų | 121 | 60.5 Ų | 60.5 | 65% | 0.647 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -59.4 | -30 | -173.4 | -111.3 | -37.7 | 0 | 0 | 0 | 113.1 | Y257 S258 R262 | D255-Y257 PolarHBondContact O-N 3.49Å; D255-S258 PolarHBondContact O-OG 3.33Å; D255-R262 WeakPolarHBondContact O-CD 3.32Å; D255-R262 PolarHBondContact O-NH1 2.96Å; D255-R262 IonicContact OD1-CZ 2.93Å; D255-R262 IonicContact OD1-NH1 3.65Å; D255-R262 PolarHBondContact OD1-NH1 3.3Å |
| 256 | E | 86.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65 | -23.4 | 178.7 | -63.4 | -173.6 | 167.8 | 0 | 0 | 113.2 | D254 R262 Y266 | D254-E256 PolarHBondContact O-N 3.43Å; D254-E256 VanDerWaalsContact O-N 3.11Å; E256-R262 CarbonylContact O-C 3.58Å; E256-R262 WeakPolarHBondContact O-CB 3.44Å; E256-Y266 HydrophobicContact CB-CD2 4.49Å; E256-Y266 WeakPolarHBondContact OE2-CE2 3.15Å |
| 257 | Y | 88.2 | Confident | 90.4 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -127 | 12.8 | -174.4 | -32.3 | -56.7 | 0 | 0 | 0 | 113.1 | I214 R217 R251 D254 D255 S259 Y266 | I214-Y257 HydrophobicContact CD1-CD1 4.29Å; I214-Y257 HydrophobicContact CD1-CD2 4.37Å; I214-Y257 HydrophobicContact CD1-CE1 4Å; I214-Y257 HydrophobicContact CD1-CE2 4.04Å; I214-Y257 HydrophobicContact CG1-CD1 4.23Å; I214-Y257 HydrophobicContact CG1-CD2 4.18Å; I214-Y257 HydrophobicContact CG1-CE1 4.44Å; I214-Y257 HydrophobicContact CG1-CE2 4.34Å; I214-Y257 HydrophobicContact CG1-CG 4.13Å; I214-Y257 HydrophobicContact CG2-CD1 4.07Å; I214-Y257 HydrophobicContact CG2-CE1 4.49Å; R217-Y257 VanDerWaalsContact CG-O 3.3Å; R217-Y257 WeakPolarHBondContact CG-O 3.37Å; R217-Y257 PolarHBondContact NE-O 2.99Å; R251-Y257 HydrophobicContact CG-CD2 4.32Å; R251-Y257 HydrophobicContact CG-CE2 4.3Å; D254-Y257 HydrophobicContact CB-CD2 3.99Å; D254-Y257 HydrophobicContact CB-CE2 4.12Å; D254-Y257 PolarHBondContact O-N 3.04Å; D255-Y257 PolarHBondContact O-N 3.49Å; Y257-S259 PolarHBondContact O-N 3.34Å; Y257-Y266 HydrophobicContact CD1-CD1 4.15Å; Y257-Y266 HydrophobicContact CD1-CG 4.2Å; Y257-Y266 AromaticContact CE1-CD1 3.44Å; Y257-Y266 HydrophobicContact CE1-CD1 3.44Å; Y257-Y266 VanDerWaalsContact CE1-CD1 3.44Å; Y257-Y266 AromaticContact CE1-CD2 3.76Å; Y257-Y266 HydrophobicContact CE1-CD2 3.76Å; Y257-Y266 AromaticContact CE1-CE1 3.55Å; Y257-Y266 HydrophobicContact CE1-CE1 3.55Å; Y257-Y266 AromaticContact CE1-CE2 3.87Å; Y257-Y266 HydrophobicContact CE1-CE2 3.87Å; Y257-Y266 AromaticContact CE1-CG 3.53Å; Y257-Y266 HydrophobicContact CE1-CG 3.53Å; Y257-Y266 AromaticContact CE1-CZ 3.76Å; Y257-Y266 AromaticContact CZ-CZ 3.93Å; Y257-Y266 VanDerWaalsContact OH-CZ 3.25Å; Y257-Y266 PolarHBondContact OH-OH 2.78Å |
| 258 | S | 86.2 | Confident | 90.6 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -65.1 | -21.2 | -176.4 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | D254 D255 R262 | D254-S258 PolarHBondContact O-N 2.97Å; D255-S258 PolarHBondContact O-OG 3.33Å; S258-R262 PolarHBondContact OG-NH1 2.88Å |
| 259 | S | 91.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -134.9 | 158.8 | 175.9 | 68 | 0 | 0 | 0 | 0 | 112 | Y257 T261 R262 A263 | Y257-S259 PolarHBondContact O-N 3.34Å; S259-T261 VanDerWaalsContact C-N 3.29Å; S259-T261 PolarHBondContact O-N 3.34Å; S259-R262 PolarHBondContact O-N 3.2Å; S259-R262 WeakPolarHBondContact OG-CG 3.43Å; S259-R262 PolarHBondContact OG-N 3.25Å; S259-A263 PolarHBondContact O-N 3.24Å |
| 260 | Q | 94.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -46.7 | 177.1 | -177.2 | -176 | 21 | 0 | 0 | 111.7 | R217 A218 L219 R262 A263 L264 | R217-Q260 WeakPolarHBondContact O-CA 3.37Å; R217-Q260 WeakPolarHBondContact O-CG 3.46Å; A218-Q260 WeakPolarHBondContact O-CG 3.26Å; A218-Q260 PolarHBondContact O-NE2 3.18Å; L219-Q260 PolarHBondContact O-NE2 2.93Å; L219-Q260 VanDerWaalsContact O-NE2 3.12Å; Q260-R262 PolarHBondContact O-N 3.39Å; Q260-A263 PolarHBondContact O-N 3.32Å; Q260-L264 HydrophobicContact CG-CD1 3.98Å; Q260-L264 HydrophobicContact CG-CG 4.45Å; Q260-L264 WeakPolarHBondContact O-CB 3.23Å; Q260-L264 WeakPolarHBondContact O-CG 3.46Å; Q260-L264 PolarHBondContact O-N 3.1Å |
| 261 | T | 93.6 | Very high | 90.9 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | -180 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | S259 L264 C265 E284 | S259-T261 VanDerWaalsContact C-N 3.29Å; S259-T261 PolarHBondContact O-N 3.34Å; T261-L264 PolarHBondContact O-N 2.95Å; T261-C265 WeakPolarHBondContact O-CB 3.44Å; T261-C265 PolarHBondContact O-N 3.11Å; T261-C265 PolarHBondContact O-SG 2.7Å; T261-E284 HydrophobicContact CG2-CG 4.3Å; T261-E284 WeakPolarHBondContact CG2-OE2 3.47Å |
| 262 | R | 93.7 | Very high | 91 | Very high | 118 Ų | 118 | 53.4 Ų | 53.4 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 177.7 | -72.8 | -169.8 | 177.2 | 174.7 | -1.7 | 112 | D255 E256 S258 S259 Q260 L264 C265 Y266 | D255-R262 WeakPolarHBondContact O-CD 3.32Å; D255-R262 PolarHBondContact O-NH1 2.96Å; D255-R262 IonicContact OD1-CZ 2.93Å; D255-R262 IonicContact OD1-NH1 3.65Å; D255-R262 PolarHBondContact OD1-NH1 3.3Å; E256-R262 CarbonylContact O-C 3.58Å; E256-R262 WeakPolarHBondContact O-CB 3.44Å; S258-R262 PolarHBondContact OG-NH1 2.88Å; S259-R262 PolarHBondContact O-N 3.2Å; S259-R262 WeakPolarHBondContact OG-CG 3.43Å; S259-R262 PolarHBondContact OG-N 3.25Å; Q260-R262 PolarHBondContact O-N 3.39Å; R262-L264 VanDerWaalsContact C-N 3.35Å; R262-L264 PolarHBondContact O-N 3.39Å; R262-C265 PolarHBondContact O-N 3.46Å; R262-Y266 WeakPolarHBondContact O-CB 3.43Å; R262-Y266 PolarHBondContact O-N 2.91Å |
| 263 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I214 R217 A218 S259 Q260 Y266 L267 | I214-A263 HydrophobicContact CG2-CB 4.5Å; R217-A263 HydrophobicContact CB-CB 4.29Å; R217-A263 HydrophobicContact CG-CB 3.74Å; A218-A263 HydrophobicContact CB-CB 4.06Å; S259-A263 PolarHBondContact O-N 3.24Å; Q260-A263 PolarHBondContact O-N 3.32Å; A263-Y266 PolarHBondContact O-N 2.89Å; A263-L267 WeakPolarHBondContact O-CG 3.29Å; A263-L267 PolarHBondContact O-N 3.08Å |
| 264 | L | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 174.1 | -75.6 | 169.3 | 0 | 0 | 0 | 111.9 | A218 Q260 T261 R262 Y266 L267 G268 E284 G287 K288 L291 | A218-L264 HydrophobicContact CB-CD2 4.03Å; A218-L264 HydrophobicContact CB-CG 4.21Å; Q260-L264 HydrophobicContact CG-CD1 3.98Å; Q260-L264 HydrophobicContact CG-CG 4.45Å; Q260-L264 WeakPolarHBondContact O-CB 3.23Å; Q260-L264 WeakPolarHBondContact O-CG 3.46Å; Q260-L264 PolarHBondContact O-N 3.1Å; T261-L264 PolarHBondContact O-N 2.95Å; R262-L264 VanDerWaalsContact C-N 3.35Å; R262-L264 PolarHBondContact O-N 3.39Å; L264-Y266 VanDerWaalsContact C-N 3.31Å; L264-Y266 PolarHBondContact O-N 3.11Å; L264-L267 PolarHBondContact O-N 3.38Å; L264-G268 PolarHBondContact O-N 3.04Å; L264-E284 HydrophobicContact CB-CG 3.92Å; L264-E284 HydrophobicContact CD1-CG 3.99Å; L264-G287 WeakPolarHBondContact O-CA 3.47Å; L264-K288 HydrophobicContact CD1-CG 4.07Å; L264-K288 HydrophobicContact CD2-CG 4.08Å; L264-L291 HydrophobicContact CD2-CD1 3.63Å; L264-L291 HydrophobicContact CD2-CG 4.44Å |
| 265 | C | 94.8 | Very high | 91 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.1 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | T261 R262 G268 G269 D283 | T261-C265 WeakPolarHBondContact O-CB 3.44Å; T261-C265 PolarHBondContact O-N 3.11Å; T261-C265 PolarHBondContact O-SG 2.7Å; R262-C265 PolarHBondContact O-N 3.46Å; C265-G268 PolarHBondContact O-N 3.2Å; C265-G269 PolarHBondContact O-N 3.01Å; C265-D283 HydrophobicContact CB-CB 4.3Å |
| 266 | Y | 94.6 | Very high | 90.9 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 176.8 | 177.7 | -99.3 | 0 | 0 | 0 | 111.9 | I214 E256 Y257 R262 A263 L264 G268 G269 L270 | I214-Y266 HydrophobicContact CD1-CE1 4.31Å; I214-Y266 HydrophobicContact CG2-CD1 4.42Å; E256-Y266 HydrophobicContact CB-CD2 4.49Å; E256-Y266 WeakPolarHBondContact OE2-CE2 3.15Å; Y257-Y266 HydrophobicContact CD1-CD1 4.15Å; Y257-Y266 HydrophobicContact CD1-CG 4.2Å; Y257-Y266 AromaticContact CE1-CD1 3.44Å; Y257-Y266 HydrophobicContact CE1-CD1 3.44Å; Y257-Y266 VanDerWaalsContact CE1-CD1 3.44Å; Y257-Y266 AromaticContact CE1-CD2 3.76Å; Y257-Y266 HydrophobicContact CE1-CD2 3.76Å; Y257-Y266 AromaticContact CE1-CE1 3.55Å; Y257-Y266 HydrophobicContact CE1-CE1 3.55Å; Y257-Y266 AromaticContact CE1-CE2 3.87Å; Y257-Y266 HydrophobicContact CE1-CE2 3.87Å; Y257-Y266 AromaticContact CE1-CG 3.53Å; Y257-Y266 HydrophobicContact CE1-CG 3.53Å; Y257-Y266 AromaticContact CE1-CZ 3.76Å; Y257-Y266 AromaticContact CZ-CZ 3.93Å; Y257-Y266 VanDerWaalsContact OH-CZ 3.25Å; Y257-Y266 PolarHBondContact OH-OH 2.78Å; R262-Y266 WeakPolarHBondContact O-CB 3.43Å; R262-Y266 PolarHBondContact O-N 2.91Å; A263-Y266 PolarHBondContact O-N 2.89Å; L264-Y266 VanDerWaalsContact C-N 3.31Å; L264-Y266 PolarHBondContact O-N 3.11Å; Y266-G268 PolarHBondContact O-N 2.92Å; Y266-G269 PolarHBondContact O-N 3.11Å; Y266-L270 HydrophobicContact CD1-CD1 3.72Å; Y266-L270 HydrophobicContact CD2-CD1 4.47Å; Y266-L270 HydrophobicContact CE1-CD1 3.22Å; Y266-L270 HydrophobicContact CE1-CG 4.48Å; Y266-L270 HydrophobicContact CE2-CD1 4.06Å; Y266-L270 HydrophobicContact CG-CD1 4.33Å; Y266-L270 VanDerWaalsContact CZ-CD1 3.42Å; Y266-L270 PolarHBondContact O-N 3.17Å |
| 267 | L | 94.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177.3 | -70.6 | 174.1 | 0 | 0 | 0 | 111.4 | V210 I214 A218 A263 L264 L270 F271 L290 L291 | V210-L267 HydrophobicContact CG1-CD2 4.12Å; I214-L267 HydrophobicContact CG2-CD1 4.33Å; I214-L267 HydrophobicContact CG2-CD2 4.19Å; I214-L267 HydrophobicContact CG2-CG 4.17Å; A218-L267 HydrophobicContact CB-CD1 3.75Å; A263-L267 WeakPolarHBondContact O-CG 3.29Å; A263-L267 PolarHBondContact O-N 3.08Å; L264-L267 PolarHBondContact O-N 3.38Å; L267-L270 PolarHBondContact O-N 3.14Å; L267-F271 HydrophobicContact CD2-CD2 4.46Å; L267-F271 HydrophobicContact CD2-CE2 4.13Å; L267-F271 WeakPolarHBondContact O-CB 3.39Å; L267-F271 VanDerWaalsContact O-CD2 3.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.5Å; L267-F271 PolarHBondContact O-N 2.84Å; L267-L290 HydrophobicContact CB-CD2 4.16Å; L267-L290 HydrophobicContact CD2-CD2 4.45Å; L267-L291 HydrophobicContact CD1-CD2 4.4Å |
| 268 | G | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L264 C265 Y266 L270 F271 R272 D283 | L264-G268 PolarHBondContact O-N 3.04Å; C265-G268 PolarHBondContact O-N 3.2Å; Y266-G268 PolarHBondContact O-N 2.92Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.22Å; G268-F271 PolarHBondContact O-N 2.97Å; G268-R272 VanDerWaalsContact O-CB 3.23Å; G268-R272 WeakPolarHBondContact O-CB 3.3Å; G268-R272 PolarHBondContact O-N 3.06Å; G268-D283 VanDerWaalsContact CA-O 3.3Å; G268-D283 WeakPolarHBondContact CA-O 3.31Å |
| 269 | G | 92.2 | Very high | 90.1 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C265 Y266 | C265-G269 PolarHBondContact O-N 3.01Å; Y266-G269 PolarHBondContact O-N 3.11Å |
| 270 | L | 92.5 | Very high | 89.6 | Confident | 95 Ų | 95 | 61 Ų | 61 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.1 | -47.5 | 176 | -82.3 | 166.6 | 0 | 0 | 0 | 112.9 | Y266 L267 G268 | Y266-L270 HydrophobicContact CD1-CD1 3.72Å; Y266-L270 HydrophobicContact CD2-CD1 4.47Å; Y266-L270 HydrophobicContact CE1-CD1 3.22Å; Y266-L270 HydrophobicContact CE1-CG 4.48Å; Y266-L270 HydrophobicContact CE2-CD1 4.06Å; Y266-L270 HydrophobicContact CG-CD1 4.33Å; Y266-L270 VanDerWaalsContact CZ-CD1 3.42Å; Y266-L270 PolarHBondContact O-N 3.17Å; L267-L270 PolarHBondContact O-N 3.14Å; G268-L270 VanDerWaalsContact C-N 3.3Å; G268-L270 PolarHBondContact O-N 3.22Å |
| 271 | F | 92.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -96.6 | -12.7 | -167.7 | -71.1 | -73.8 | 0 | 0 | 0 | 114.6 | F201 F208 V210 L267 G268 K273 R274 M275 L290 | F201-F271 HydrophobicContact CE2-CE1 4.49Å; F201-F271 HydrophobicContact CE2-CZ 4.39Å; F201-F271 HydrophobicContact CZ-CE2 4.31Å; F201-F271 HydrophobicContact CZ-CZ 4.01Å; F208-F271 HydrophobicContact CB-CE1 3.89Å; F208-F271 HydrophobicContact CB-CZ 4Å; F208-F271 AromaticContact CD1-CE1 3.65Å; F208-F271 HydrophobicContact CD1-CE1 3.65Å; F208-F271 HydrophobicContact CD1-CZ 4.22Å; F208-F271 AromaticContact CD2-CE1 3.8Å; F208-F271 HydrophobicContact CD2-CE1 3.8Å; F208-F271 HydrophobicContact CE1-CE1 4.09Å; F208-F271 HydrophobicContact CE2-CE1 4.22Å; F208-F271 AromaticContact CG-CE1 3.49Å; F208-F271 HydrophobicContact CG-CE1 3.49Å; F208-F271 VanDerWaalsContact CG-CE1 3.49Å; F208-F271 HydrophobicContact CG-CZ 4.08Å; F208-F271 HydrophobicContact CZ-CE1 4.35Å; V210-F271 HydrophobicContact CG2-CE2 4.17Å; V210-F271 HydrophobicContact CG2-CZ 4.08Å; L267-F271 HydrophobicContact CD2-CD2 4.46Å; L267-F271 HydrophobicContact CD2-CE2 4.13Å; L267-F271 WeakPolarHBondContact O-CB 3.39Å; L267-F271 VanDerWaalsContact O-CD2 3.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.5Å; L267-F271 PolarHBondContact O-N 2.84Å; G268-F271 PolarHBondContact O-N 2.97Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.41Å; F271-K273 VanDerWaalsContact O-N 3.17Å; F271-R274 PolarHBondContact O-N 3.48Å; F271-M275 HydrophobicContact CB-CE 3.68Å; F271-M275 HydrophobicContact CB-CG 4.34Å; F271-M275 HydrophobicContact CB-SD 4.21Å; F271-M275 PolarHBondContact O-N 2.82Å; F271-L290 HydrophobicContact CB-CD1 4.21Å; F271-L290 HydrophobicContact CB-CD2 4.41Å; F271-L290 HydrophobicContact CD2-CD1 4.38Å; F271-L290 HydrophobicContact CD2-CD2 3.52Å; F271-L290 HydrophobicContact CE2-CD2 4.01Å; F271-L290 HydrophobicContact CG-CD1 4.12Å; F271-L290 HydrophobicContact CG-CD2 4.07Å |
| 272 | R | 91 | Very high | 89.2 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55 | -42.9 | -172.2 | 78 | 179.9 | -63.7 | 141.5 | 4.9 | 113.4 | G268 R274 N276 V277 P278 D279 L281 D283 A286 | G268-R272 VanDerWaalsContact O-CB 3.23Å; G268-R272 WeakPolarHBondContact O-CB 3.3Å; G268-R272 PolarHBondContact O-N 3.06Å; R272-R274 VanDerWaalsContact C-N 3.27Å; R272-R274 PolarHBondContact O-N 3.42Å; R272-N276 PolarHBondContact O-N 3.26Å; R272-V277 VanDerWaalsContact CA-CG2 3.5Å; R272-V277 HydrophobicContact CB-CG2 3.64Å; R272-V277 WeakPolarHBondContact O-CG2 3.41Å; R272-P278 PolarHBondContact NH2-O 2.98Å; R272-D279 PolarHBondContact NH2-O 3.43Å; R272-D279 VanDerWaalsContact NH2-O 3.13Å; R272-L281 PolarHBondContact NH1-O 3.37Å; R272-L281 VanDerWaalsContact NH1-O 3.08Å; R272-L281 PolarHBondContact NH2-O 2.83Å; R272-D283 IonicContact CZ-OD1 3.5Å; R272-D283 IonicContact NH1-OD1 3.41Å; R272-D283 PolarHBondContact NH1-OD1 2.92Å; R272-A286 HydrophobicContact CB-CB 4.19Å |
| 273 | K | 85.7 | Confident | 89.1 | Confident | 177 Ų | 177 | 57 Ų | 57 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.7 | -30.1 | -179.9 | -69.6 | -174.2 | -179.8 | 177.2 | 0 | 112.3 | F271 | F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.41Å; F271-K273 VanDerWaalsContact O-N 3.17Å |
| 274 | R | 86.6 | Confident | 89.1 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82.3 | -40.7 | -179.9 | -72.8 | -68.1 | -168.8 | -89.7 | -0.2 | 111.7 | V203 E204 E206 F208 F271 R272 N276 | V203-R274 HydrophobicContact CG1-CB 4.33Å; E204-R274 WeakPolarHBondContact CG-O 3.25Å; E206-R274 IonicContact OE2-CZ 2.68Å; E206-R274 IonicContact OE2-NE 3.06Å; E206-R274 PolarHBondContact OE2-NE 3.1Å; E206-R274 IonicContact OE2-NH2 3.53Å; F208-R274 HydrophobicContact CZ-CG 4.18Å; F271-R274 PolarHBondContact O-N 3.48Å; R272-R274 VanDerWaalsContact C-N 3.27Å; R272-R274 PolarHBondContact O-N 3.42Å; R274-N276 PolarHBondContact O-N 2.87Å |
| 275 | M | 87.4 | Confident | 89 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 5% | 0.054 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.8 | -7.9 | 178.8 | -64.2 | -177.5 | -64.2 | 0 | 0 | 113.7 | V203 F271 V277 A286 F289 L290 Y294 | V203-M275 HydrophobicContact CG1-CG 3.8Å; F271-M275 HydrophobicContact CB-CE 3.68Å; F271-M275 HydrophobicContact CB-CG 4.34Å; F271-M275 HydrophobicContact CB-SD 4.21Å; F271-M275 PolarHBondContact O-N 2.82Å; M275-V277 HydrophobicContact CB-CG1 4.34Å; M275-V277 HydrophobicContact CB-CG2 4.25Å; M275-V277 HydrophobicContact CE-CG2 4.21Å; M275-V277 PolarHBondContact O-N 3.3Å; M275-A286 HydrophobicContact CE-CB 4.4Å; M275-A286 WeakPolarHBondContact CE-O 3.38Å; M275-F289 HydrophobicContact CB-CD1 4.47Å; M275-F289 HydrophobicContact CB-CE1 4.36Å; M275-F289 HydrophobicContact CE-CD1 4.46Å; M275-F289 HydrophobicContact SD-CD1 3.84Å; M275-F289 HydrophobicContact SD-CE1 4.41Å; M275-L290 HydrophobicContact CE-CB 4.02Å; M275-L290 HydrophobicContact CE-CD1 4.44Å; M275-L290 HydrophobicContact CG-CD1 4.36Å; M275-L290 HydrophobicContact SD-CB 3.58Å; M275-L290 VanDerWaalsContact SD-CB 3.58Å; M275-L290 HydrophobicContact SD-CD1 3.43Å; M275-L290 WeakPolarHBondContact SD-CD1 3.38Å; M275-L290 HydrophobicContact SD-CG 4.11Å; M275-Y294 HydrophobicContact CG-CE2 3.79Å; M275-Y294 HydrophobicContact SD-CD2 4.16Å; M275-Y294 HydrophobicContact SD-CE2 3.76Å |
| 276 | N | 80.6 | Confident | 89 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.6 | -173.6 | -65.2 | -48.1 | 0 | 0 | 0 | 113 | R272 R274 | R272-N276 PolarHBondContact O-N 3.26Å; R274-N276 PolarHBondContact O-N 2.87Å |
| 277 | V | 83.6 | Confident | 89 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | trans | -70.9 | 145.9 | 175.6 | -88.7 | 0 | 0 | 0 | 0 | 110.9 | R272 M275 L281 A286 F289 | R272-V277 VanDerWaalsContact CA-CG2 3.5Å; R272-V277 HydrophobicContact CB-CG2 3.64Å; R272-V277 WeakPolarHBondContact O-CG2 3.41Å; M275-V277 HydrophobicContact CB-CG1 4.34Å; M275-V277 HydrophobicContact CB-CG2 4.25Å; M275-V277 HydrophobicContact CE-CG2 4.21Å; M275-V277 PolarHBondContact O-N 3.3Å; V277-L281 HydrophobicContact CB-CD1 4.12Å; V277-L281 HydrophobicContact CG1-CD1 4.15Å; V277-A286 HydrophobicContact CG2-CB 4.1Å; V277-F289 HydrophobicContact CG1-CB 4.29Å; V277-F289 HydrophobicContact CG1-CD1 3.45Å; V277-F289 VanDerWaalsContact CG1-CD1 3.45Å; V277-F289 HydrophobicContact CG1-CD2 4.34Å; V277-F289 HydrophobicContact CG1-CE1 3.76Å; V277-F289 HydrophobicContact CG1-CG 3.77Å; V277-F289 HydrophobicContact CG1-CZ 4.32Å | ||
| 278 | P | 80.3 | Confident | 89 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | trans | -51.9 | 142.8 | 178.9 | -17 | 14.7 | 0 | 0 | 0 | 113.9 | E31 R272 R280 L281 | E31-P278 HydrophobicContact CB-CB 4.21Å; E31-P278 HydrophobicContact CB-CG 3.91Å; E31-P278 HydrophobicContact CG-CG 4.13Å; E31-P278 VanDerWaalsContact OE2-CB 3.23Å; E31-P278 WeakPolarHBondContact OE2-CB 3.26Å; E31-P278 WeakPolarHBondContact OE2-CG 3.41Å; R272-P278 PolarHBondContact NH2-O 2.98Å; P278-R280 HydrophobicContact CB-CG 3.8Å; P278-R280 PolarHBondContact O-N 3.06Å; P278-L281 HydrophobicContact CB-CD1 4.39Å; P278-L281 HydrophobicContact CB-CG 4.33Å; P278-L281 HydrophobicContact CG-CD1 3.87Å; P278-L281 HydrophobicContact CG-CG 4.26Å; P278-L281 PolarHBondContact O-N 3.29Å; P278-L281 VanDerWaalsContact O-N 3.12Å | ||
| 279 | D | 79.6 | Confident | 88.9 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.9 | 177.5 | -69 | -32.5 | 0 | 0 | 0 | 112.9 | N33 R272 L281 | N33-D279 PolarHBondContact ND2-OD2 3.49Å; R272-D279 PolarHBondContact NH2-O 3.43Å; R272-D279 VanDerWaalsContact NH2-O 3.13Å; D279-L281 PolarHBondContact O-N 2.95Å |
| 280 | R | 81.2 | Confident | 89.1 | Confident | 157 Ų | 157 | 61.8 Ų | 61.8 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24 | 176.2 | 67.6 | 174.1 | -177.3 | 91.1 | -3.1 | 113.8 | E31 P278 | E31-R280 IonicContact OE1-CZ 3.58Å; E31-R280 IonicContact OE1-NE 3.53Å; E31-R280 IonicContact OE1-NH2 3.71Å; E31-R280 PolarHBondContact OE1-NH2 3.31Å; E31-R280 IonicContact OE2-CZ 3.57Å; E31-R280 IonicContact OE2-NE 2.79Å; E31-R280 PolarHBondContact OE2-NE 3.23Å; E31-R280 IonicContact OE2-NH2 2.76Å; E31-R280 PolarHBondContact OE2-NH2 3.27Å; P278-R280 HydrophobicContact CB-CG 3.8Å; P278-R280 PolarHBondContact O-N 3.06Å |
| 281 | L | 85 | Confident | 89.2 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -74.9 | 134 | -178.4 | -67.8 | 172.6 | 0 | 0 | 0 | 109.3 | R272 V277 P278 D279 E285 | R272-L281 PolarHBondContact NH1-O 3.37Å; R272-L281 VanDerWaalsContact NH1-O 3.08Å; R272-L281 PolarHBondContact NH2-O 2.83Å; V277-L281 HydrophobicContact CB-CD1 4.12Å; V277-L281 HydrophobicContact CG1-CD1 4.15Å; P278-L281 HydrophobicContact CB-CD1 4.39Å; P278-L281 HydrophobicContact CB-CG 4.33Å; P278-L281 HydrophobicContact CG-CD1 3.87Å; P278-L281 HydrophobicContact CG-CG 4.26Å; P278-L281 PolarHBondContact O-N 3.29Å; P278-L281 VanDerWaalsContact O-N 3.12Å; D279-L281 PolarHBondContact O-N 2.95Å; L281-E285 WeakPolarHBondContact CA-OE2 3.48Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 4.05Å; L281-E285 WeakPolarHBondContact CD2-OE2 3.39Å |
| 282 | S | 92.9 | Very high | 89.2 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | trans | -64 | 158.3 | 171.1 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | E284 E285 A286 | S282-E284 PolarHBondContact O-N 3.3Å; S282-E285 PolarHBondContact N-OE2 2.58Å; S282-E285 PolarHBondContact O-N 3.36Å; S282-E285 VanDerWaalsContact O-N 3.1Å; S282-E285 VanDerWaalsContact OG-CG 3.25Å; S282-E285 WeakPolarHBondContact OG-CG 3.45Å; S282-E285 PolarHBondContact OG-N 3.08Å; S282-E285 PolarHBondContact OG-OE2 3.17Å; S282-A286 PolarHBondContact O-N 3.1Å | ||
| 283 | D | 93.1 | Very high | 89.2 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -32.1 | 175.3 | -67.3 | -28.3 | 0 | 0 | 0 | 111.2 | C265 G268 R272 A286 G287 | C265-D283 HydrophobicContact CB-CB 4.3Å; G268-D283 VanDerWaalsContact CA-O 3.3Å; G268-D283 WeakPolarHBondContact CA-O 3.31Å; R272-D283 IonicContact CZ-OD1 3.5Å; R272-D283 IonicContact NH1-OD1 3.41Å; R272-D283 PolarHBondContact NH1-OD1 2.92Å; D283-A286 PolarHBondContact O-N 3.34Å; D283-G287 PolarHBondContact O-N 3.46Å |
| 284 | E | 94.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.7 | -167.3 | -168.8 | 147 | 0 | 0 | 111.9 | T261 L264 S282 G287 K288 | T261-E284 HydrophobicContact CG2-CG 4.3Å; T261-E284 WeakPolarHBondContact CG2-OE2 3.47Å; L264-E284 HydrophobicContact CB-CG 3.92Å; L264-E284 HydrophobicContact CD1-CG 3.99Å; S282-E284 PolarHBondContact O-N 3.3Å; E284-G287 PolarHBondContact O-N 3.42Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 3.34Å; E284-K288 WeakPolarHBondContact OE1-CE 3.38Å; E284-K288 IonicContact OE1-NZ 2.77Å; E284-K288 PolarHBondContact OE1-NZ 2.98Å |
| 285 | E | 93.6 | Very high | 90 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67 | -37.9 | 178 | -71.9 | 168.5 | 150.1 | 0 | 0 | 112.2 | L281 S282 G287 K288 F289 | L281-E285 WeakPolarHBondContact CA-OE2 3.48Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 4.05Å; L281-E285 WeakPolarHBondContact CD2-OE2 3.39Å; S282-E285 PolarHBondContact N-OE2 2.58Å; S282-E285 PolarHBondContact O-N 3.36Å; S282-E285 VanDerWaalsContact O-N 3.1Å; S282-E285 VanDerWaalsContact OG-CG 3.25Å; S282-E285 WeakPolarHBondContact OG-CG 3.45Å; S282-E285 PolarHBondContact OG-N 3.08Å; S282-E285 PolarHBondContact OG-OE2 3.17Å; E285-G287 VanDerWaalsContact C-N 3.3Å; E285-G287 PolarHBondContact O-N 3.06Å; E285-K288 PolarHBondContact O-N 2.92Å; E285-F289 WeakPolarHBondContact O-CB 3.39Å; E285-F289 PolarHBondContact O-N 3.46Å |
| 286 | A | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R272 M275 V277 S282 D283 F289 L290 | R272-A286 HydrophobicContact CB-CB 4.19Å; M275-A286 HydrophobicContact CE-CB 4.4Å; M275-A286 WeakPolarHBondContact CE-O 3.38Å; V277-A286 HydrophobicContact CG2-CB 4.1Å; S282-A286 PolarHBondContact O-N 3.1Å; D283-A286 PolarHBondContact O-N 3.34Å; A286-F289 WeakPolarHBondContact O-CB 3.35Å; A286-F289 PolarHBondContact O-N 3.08Å; A286-L290 PolarHBondContact O-N 3.27Å |
| 287 | G | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L264 D283 E284 E285 F289 L290 L291 | L264-G287 WeakPolarHBondContact O-CA 3.47Å; D283-G287 PolarHBondContact O-N 3.46Å; E284-G287 PolarHBondContact O-N 3.42Å; E285-G287 VanDerWaalsContact C-N 3.3Å; E285-G287 PolarHBondContact O-N 3.06Å; G287-F289 VanDerWaalsContact C-N 3.31Å; G287-F289 PolarHBondContact O-N 3.34Å; G287-L290 WeakPolarHBondContact O-CB 3.49Å; G287-L290 PolarHBondContact O-N 3.48Å; G287-L291 WeakPolarHBondContact O-CG 3.49Å; G287-L291 PolarHBondContact O-N 2.97Å; G287-L291 VanDerWaalsContact O-N 3.14Å |
| 288 | K | 94.6 | Very high | 91.5 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 36% | 0.357 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.7 | -69.4 | 177 | -175.5 | 162.4 | 0 | 111.7 | L264 E284 E285 L291 S292 F302 | L264-K288 HydrophobicContact CD1-CG 4.07Å; L264-K288 HydrophobicContact CD2-CG 4.08Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 3.34Å; E284-K288 WeakPolarHBondContact OE1-CE 3.38Å; E284-K288 IonicContact OE1-NZ 2.77Å; E284-K288 PolarHBondContact OE1-NZ 2.98Å; E285-K288 PolarHBondContact O-N 2.92Å; K288-L291 PolarHBondContact O-N 3.29Å; K288-S292 WeakPolarHBondContact O-CB 3.41Å; K288-S292 PolarHBondContact O-N 3.5Å; K288-S292 PolarHBondContact O-OG 3.05Å; K288-F302 HydrophobicContact CB-CE2 4.41Å; K288-F302 HydrophobicContact CB-CZ 4.1Å; K288-F302 HydrophobicContact CG-CE2 4.07Å; K288-F302 HydrophobicContact CG-CZ 4.26Å |
| 289 | F | 93.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 20% | 0.197 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 176.6 | -175.9 | -95.1 | 0 | 0 | 0 | 111.6 | Q28 M275 V277 E285 A286 G287 L291 S292 E293 Y294 | Q28-F289 HydrophobicContact CG-CE2 4.25Å; Q28-F289 HydrophobicContact CG-CZ 4.15Å; M275-F289 HydrophobicContact CB-CD1 4.47Å; M275-F289 HydrophobicContact CB-CE1 4.36Å; M275-F289 HydrophobicContact CE-CD1 4.46Å; M275-F289 HydrophobicContact SD-CD1 3.84Å; M275-F289 HydrophobicContact SD-CE1 4.41Å; V277-F289 HydrophobicContact CG1-CB 4.29Å; V277-F289 HydrophobicContact CG1-CD1 3.45Å; V277-F289 VanDerWaalsContact CG1-CD1 3.45Å; V277-F289 HydrophobicContact CG1-CD2 4.34Å; V277-F289 HydrophobicContact CG1-CE1 3.76Å; V277-F289 HydrophobicContact CG1-CG 3.77Å; V277-F289 HydrophobicContact CG1-CZ 4.32Å; E285-F289 WeakPolarHBondContact O-CB 3.39Å; E285-F289 PolarHBondContact O-N 3.46Å; A286-F289 WeakPolarHBondContact O-CB 3.35Å; A286-F289 PolarHBondContact O-N 3.08Å; G287-F289 VanDerWaalsContact C-N 3.31Å; G287-F289 PolarHBondContact O-N 3.34Å; F289-L291 VanDerWaalsContact C-N 3.34Å; F289-L291 PolarHBondContact O-N 3.49Å; F289-S292 WeakPolarHBondContact CA-OG 3.31Å; F289-S292 PolarHBondContact O-N 3.03Å; F289-S292 VanDerWaalsContact O-N 3.11Å; F289-S292 PolarHBondContact O-OG 3.11Å; F289-E293 HydrophobicContact CD2-CG 4.24Å; F289-E293 HydrophobicContact CE1-CB 4.42Å; F289-E293 HydrophobicContact CE1-CG 4.33Å; F289-E293 HydrophobicContact CE2-CG 3.8Å; F289-E293 HydrophobicContact CZ-CB 4.39Å; F289-E293 HydrophobicContact CZ-CG 3.86Å; F289-E293 PolarHBondContact O-N 2.9Å; F289-Y294 HydrophobicContact CD1-CE2 4.46Å; F289-Y294 HydrophobicContact CE1-CE2 4.09Å |
| 290 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.3 | -51.2 | 175.5 | -177.8 | 73.9 | 0 | 0 | 0 | 111.6 | F201 V203 L267 F271 M275 A286 G287 S292 Y294 | F201-L290 HydrophobicContact CE2-CD1 3.98Å; F201-L290 HydrophobicContact CZ-CD2 4.41Å; V203-L290 HydrophobicContact CG2-CD1 3.99Å; L267-L290 HydrophobicContact CB-CD2 4.16Å; L267-L290 HydrophobicContact CD2-CD2 4.45Å; F271-L290 HydrophobicContact CB-CD1 4.21Å; F271-L290 HydrophobicContact CB-CD2 4.41Å; F271-L290 HydrophobicContact CD2-CD1 4.38Å; F271-L290 HydrophobicContact CD2-CD2 3.52Å; F271-L290 HydrophobicContact CE2-CD2 4.01Å; F271-L290 HydrophobicContact CG-CD1 4.12Å; F271-L290 HydrophobicContact CG-CD2 4.07Å; M275-L290 HydrophobicContact CE-CB 4.02Å; M275-L290 HydrophobicContact CE-CD1 4.44Å; M275-L290 HydrophobicContact CG-CD1 4.36Å; M275-L290 HydrophobicContact SD-CB 3.58Å; M275-L290 VanDerWaalsContact SD-CB 3.58Å; M275-L290 HydrophobicContact SD-CD1 3.43Å; M275-L290 WeakPolarHBondContact SD-CD1 3.38Å; M275-L290 HydrophobicContact SD-CG 4.11Å; A286-L290 PolarHBondContact O-N 3.27Å; G287-L290 WeakPolarHBondContact O-CB 3.49Å; G287-L290 PolarHBondContact O-N 3.48Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.43Å; L290-Y294 HydrophobicContact CD1-CD2 3.93Å; L290-Y294 HydrophobicContact CD1-CG 4.33Å; L290-Y294 WeakPolarHBondContact O-CB 3.46Å; L290-Y294 PolarHBondContact O-N 3.1Å; L290-Y294 VanDerWaalsContact O-N 3.08Å |
| 291 | L | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -34.8 | -179.4 | -62 | -176.6 | 0 | 0 | 0 | 111.6 | I215 A218 L219 L264 L267 G287 K288 F289 I295 F302 K305 | I215-L291 HydrophobicContact CG2-CD2 4.29Å; A218-L291 HydrophobicContact CB-CD1 3.91Å; L219-L291 HydrophobicContact CD2-CB 4.35Å; L219-L291 HydrophobicContact CD2-CD1 3.84Å; L219-L291 HydrophobicContact CD2-CG 4.47Å; L219-L291 HydrophobicContact CG-CD1 4.14Å; L264-L291 HydrophobicContact CD2-CD1 3.63Å; L264-L291 HydrophobicContact CD2-CG 4.44Å; L267-L291 HydrophobicContact CD1-CD2 4.4Å; G287-L291 WeakPolarHBondContact O-CG 3.49Å; G287-L291 PolarHBondContact O-N 2.97Å; G287-L291 VanDerWaalsContact O-N 3.14Å; K288-L291 PolarHBondContact O-N 3.29Å; F289-L291 VanDerWaalsContact C-N 3.34Å; F289-L291 PolarHBondContact O-N 3.49Å; L291-I295 HydrophobicContact CD2-CD1 3.57Å; L291-F302 HydrophobicContact CB-CE1 4.24Å; L291-F302 HydrophobicContact CB-CZ 4.06Å; L291-F302 HydrophobicContact CD1-CE2 4.16Å; L291-F302 HydrophobicContact CD1-CZ 4.42Å; L291-K305 PolarHBondContact O-NZ 3.16Å |
| 292 | S | 93.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -73.6 | -47 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | K288 F289 L290 K305 | K288-S292 WeakPolarHBondContact O-CB 3.41Å; K288-S292 PolarHBondContact O-N 3.5Å; K288-S292 PolarHBondContact O-OG 3.05Å; F289-S292 WeakPolarHBondContact CA-OG 3.31Å; F289-S292 PolarHBondContact O-N 3.03Å; F289-S292 VanDerWaalsContact O-N 3.11Å; F289-S292 PolarHBondContact O-OG 3.11Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.43Å; S292-K305 PolarHBondContact O-NZ 2.73Å |
| 293 | E | 91.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 34 Ų | 34 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -98.3 | -14.4 | -168.1 | -70.1 | -60.4 | 119.4 | 0 | 0 | 114.7 | Q28 R179 F289 I297 | Q28-E293 PolarHBondContact NE2-OE1 3.17Å; Q28-E293 PolarHBondContact NE2-OE2 2.86Å; Q28-E293 VanDerWaalsContact NE2-OE2 3.1Å; R179-E293 IonicContact CZ-OE2 3.59Å; R179-E293 IonicContact NH1-OE1 2.76Å; R179-E293 PolarHBondContact NH1-OE1 3.03Å; R179-E293 VanDerWaalsContact NH1-OE1 3.14Å; R179-E293 IonicContact NH1-OE2 3.67Å; R179-E293 PolarHBondContact NH1-OE2 3.32Å; R179-E293 IonicContact NH2-OE2 2.74Å; F289-E293 HydrophobicContact CD2-CG 4.24Å; F289-E293 HydrophobicContact CE1-CB 4.42Å; F289-E293 HydrophobicContact CE1-CG 4.33Å; F289-E293 HydrophobicContact CE2-CG 3.8Å; F289-E293 HydrophobicContact CZ-CB 4.39Å; F289-E293 HydrophobicContact CZ-CG 3.86Å; F289-E293 PolarHBondContact O-N 2.9Å; E293-I297 WeakPolarHBondContact O-CG2 3.19Å |
| 294 | Y | 92.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 12% | 0.122 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -31.5 | -178.3 | -60.8 | -87.9 | 0 | 0 | 0 | 113.4 | S185 I202 V203 E204 M275 F289 L290 | S185-Y294 WeakPolarHBondContact CB-O 3.43Å; S185-Y294 PolarHBondContact OG-O 3.45Å; I202-Y294 WeakPolarHBondContact O-CD1 3.37Å; V203-Y294 HydrophobicContact CB-CD1 4.36Å; V203-Y294 HydrophobicContact CB-CE1 4.2Å; V203-Y294 HydrophobicContact CG1-CD1 4.46Å; V203-Y294 HydrophobicContact CG1-CE1 3.92Å; V203-Y294 HydrophobicContact CG1-CE2 4.48Å; V203-Y294 HydrophobicContact CG2-CD1 3.93Å; V203-Y294 HydrophobicContact CG2-CE1 4.23Å; V203-Y294 HydrophobicContact CG2-CG 4.15Å; E204-Y294 PolarHBondContact OE1-OH 2.81Å; M275-Y294 HydrophobicContact CG-CE2 3.79Å; M275-Y294 HydrophobicContact SD-CD2 4.16Å; M275-Y294 HydrophobicContact SD-CE2 3.76Å; F289-Y294 HydrophobicContact CD1-CE2 4.46Å; F289-Y294 HydrophobicContact CE1-CE2 4.09Å; L290-Y294 HydrophobicContact CD1-CD2 3.93Å; L290-Y294 HydrophobicContact CD1-CG 4.33Å; L290-Y294 WeakPolarHBondContact O-CB 3.46Å; L290-Y294 PolarHBondContact O-N 3.1Å; L290-Y294 VanDerWaalsContact O-N 3.08Å |
| 295 | I | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -102.7 | 123.2 | -176 | -65.3 | 164.1 | 0 | 0 | 0 | 110.7 | L199 F201 I215 L291 I297 K305 | L199-I295 HydrophobicContact CD2-CG2 4.38Å; F201-I295 HydrophobicContact CD1-CD1 4.47Å; F201-I295 HydrophobicContact CD1-CG1 4.38Å; F201-I295 HydrophobicContact CE1-CD1 4.27Å; F201-I295 HydrophobicContact CG-CG1 4.45Å; I215-I295 HydrophobicContact CD1-CD1 3.98Å; I215-I295 HydrophobicContact CG2-CD1 4.27Å; L291-I295 HydrophobicContact CD2-CD1 3.57Å; I295-I297 VanDerWaalsContact C-N 3.27Å; I295-I297 PolarHBondContact O-N 2.94Å; I295-K305 WeakPolarHBondContact O-CE 3.33Å; I295-K305 PolarHBondContact O-NZ 2.92Å |
| 296 | A | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 45.8 | 50.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L187 H298 L299 K305 L308 | L187-A296 HydrophobicContact CD1-CB 4.14Å; A296-H298 PolarHBondContact O-N 3.32Å; A296-L299 PolarHBondContact O-N 3.02Å; A296-K305 HydrophobicContact CB-CB 4.49Å; A296-K305 HydrophobicContact CB-CD 4.3Å; A296-K305 HydrophobicContact CB-CG 3.96Å; A296-K305 WeakPolarHBondContact O-CE 3.39Å; A296-L308 HydrophobicContact CB-CD2 4.05Å |
| 297 | I | 94.4 | Very high | 94 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -11.8 | -169.5 | 65 | 169.2 | 0 | 0 | 0 | 115.3 | C177 R179 T183 E293 I295 L299 | C177-I297 HydrophobicContact CB-CG1 3.99Å; R179-I297 HydrophobicContact CB-CD1 4.17Å; R179-I297 HydrophobicContact CB-CG1 4.27Å; T183-I297 HydrophobicContact CG2-CD1 4.1Å; T183-I297 WeakPolarHBondContact O-CD1 3.48Å; E293-I297 WeakPolarHBondContact O-CG2 3.19Å; I295-I297 VanDerWaalsContact C-N 3.27Å; I295-I297 PolarHBondContact O-N 2.94Å; I297-L299 VanDerWaalsContact C-N 3.26Å |
| 298 | H | 93.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 6% | 0.06 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.3 | 175 | 64 | -75.1 | 0 | 0 | 0 | 112 | M175 C177 V178 A296 L308 D535 | M175-H298 VanDerWaalsContact CE-CE1 3.48Å; M175-H298 WeakPolarHBondContact CE-CE1 3.5Å; C177-H298 WeakPolarHBondContact CB-ND1 3.39Å; C177-H298 VanDerWaalsContact SG-CE1 3.54Å; C177-H298 PolarHBondContact SG-ND1 2.69Å; C177-H298 VanDerWaalsContact SG-ND1 3.37Å; V178-H298 VanDerWaalsContact O-CB 3.26Å; V178-H298 WeakPolarHBondContact O-CB 3.4Å; A296-H298 PolarHBondContact O-N 3.32Å; H298-L308 VanDerWaalsContact CE1-CD2 3.49Å; H298-L308 WeakPolarHBondContact CE1-CD2 3.42Å; H298-D535 PolarHBondContact CD2-O 3.37Å; H298-D535 VanDerWaalsContact CD2-O 3.24Å |
| 299 | L | 94.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | trans | -105.3 | 135.3 | 177 | -55.1 | 175.9 | 0 | 0 | 0 | 109.9 | A296 I297 D304 K305 L308 R537 | A296-L299 PolarHBondContact O-N 3.02Å; I297-L299 VanDerWaalsContact C-N 3.26Å; L299-D304 HydrophobicContact CB-CB 4.36Å; L299-D304 HydrophobicContact CD1-CB 4.06Å; L299-D304 HydrophobicContact CD2-CB 4.46Å; L299-K305 HydrophobicContact CB-CG 3.83Å; L299-K305 HydrophobicContact CD1-CG 4.24Å; L299-K305 WeakPolarHBondContact O-CE 3.47Å; L299-K305 PolarHBondContact O-NZ 3.43Å; L299-L308 HydrophobicContact CD1-CB 4.05Å; L299-L308 HydrophobicContact CD1-CD2 3.73Å; L299-R537 HydrophobicContact CD2-CB 3.62Å; L299-R537 HydrophobicContact CD2-CG 4.04Å | ||
| 300 | S | 89.3 | Confident | 94.2 | Very high | 78 Ų | 78 | 19.5 Ų | 19.5 | 55% | 0.545 | 11% | 0.11 | S | C | . | . | trans | -86.8 | -41.3 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 301 | S | 93 | Very high | 94.1 | Very high | 47 Ų | 47 | 19.5 Ų | 19.5 | 33% | 0.329 | 11% | 0.111 | S | C | . | . | trans | -77.8 | 134.9 | -177.6 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | L303 D304 K305 | S301-L303 PolarHBondContact O-N 3.44Å; S301-L303 PolarHBondContact OG-N 3.36Å; S301-D304 VanDerWaalsContact CB-OD2 3.26Å; S301-D304 WeakPolarHBondContact CB-OD2 3.45Å; S301-D304 PolarHBondContact O-N 3.29Å; S301-K305 WeakPolarHBondContact O-CG 3.3Å; S301-K305 PolarHBondContact O-N 3Å | ||
| 302 | F | 95.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 19.5 Ų | 19.5 | 22% | 0.219 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -30.1 | 172.9 | -75.4 | 10.4 | 0 | 0 | 0 | 112.2 | L219 K288 L291 K305 Y306 | L219-F302 HydrophobicContact CD2-CB 3.99Å; L219-F302 HydrophobicContact CD2-CD1 4.32Å; L219-F302 HydrophobicContact CD2-CD2 4.42Å; L219-F302 HydrophobicContact CD2-CG 4.02Å; L219-F302 WeakPolarHBondContact O-CB 3.4Å; K288-F302 HydrophobicContact CB-CE2 4.41Å; K288-F302 HydrophobicContact CB-CZ 4.1Å; K288-F302 HydrophobicContact CG-CE2 4.07Å; K288-F302 HydrophobicContact CG-CZ 4.26Å; L291-F302 HydrophobicContact CB-CE1 4.24Å; L291-F302 HydrophobicContact CB-CZ 4.06Å; L291-F302 HydrophobicContact CD1-CE2 4.16Å; L291-F302 HydrophobicContact CD1-CZ 4.42Å; F302-K305 PolarHBondContact O-N 2.88Å; F302-Y306 WeakPolarHBondContact O-CB 3.11Å; F302-Y306 PolarHBondContact O-N 3.47Å |
| 303 | L | 94.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 17.6 Ų | 17.6 | 35% | 0.351 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 177 | -170.7 | 66.3 | 0 | 0 | 0 | 111.2 | V220 S301 K305 Y306 H307 | V220-L303 HydrophobicContact CG1-CD1 3.87Å; S301-L303 PolarHBondContact O-N 3.44Å; S301-L303 PolarHBondContact OG-N 3.36Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.22Å; L303-Y306 WeakPolarHBondContact O-CB 3.07Å; L303-Y306 PolarHBondContact O-N 3.2Å; L303-Y306 VanDerWaalsContact O-N 3.14Å; L303-H307 PolarHBondContact O-N 3.26Å; L303-H307 PolarHBondContact O-ND1 3.15Å |
| 304 | D | 93.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 16 Ų | 16 | 6% | 0.059 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 177.3 | -66.3 | -40.7 | 0 | 0 | 0 | 110.9 | L299 S301 Y306 H307 L308 R537 | L299-D304 HydrophobicContact CB-CB 4.36Å; L299-D304 HydrophobicContact CD1-CB 4.06Å; L299-D304 HydrophobicContact CD2-CB 4.46Å; S301-D304 VanDerWaalsContact CB-OD2 3.26Å; S301-D304 WeakPolarHBondContact CB-OD2 3.45Å; S301-D304 PolarHBondContact O-N 3.29Å; D304-Y306 VanDerWaalsContact C-N 3.35Å; D304-H307 PolarHBondContact O-N 3.35Å; D304-L308 WeakPolarHBondContact O-CB 3.43Å; D304-L308 PolarHBondContact O-N 3.37Å; D304-R537 HydrophobicContact CB-CG 4.26Å; D304-R537 IonicContact OD1-CZ 3.99Å; D304-R537 IonicContact OD1-NE 3.35Å; D304-R537 PolarHBondContact OD1-NE 2.82Å; D304-R537 IonicContact OD1-NH2 3.62Å; D304-R537 PolarHBondContact OD1-NH2 2.77Å; D304-R537 IonicContact OD2-CZ 2.93Å; D304-R537 IonicContact OD2-NE 3.36Å; D304-R537 PolarHBondContact OD2-NE 3.46Å; D304-R537 VanDerWaalsContact OD2-NE 3.07Å; D304-R537 IonicContact OD2-NH2 3.41Å; D304-R537 PolarHBondContact OD2-NH2 2.85Å |
| 305 | K | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.7 | -68.1 | -176.7 | -171.5 | -154.7 | 0 | 111.8 | L219 L291 S292 I295 A296 L299 S301 F302 L303 L308 L309 | L219-K305 HydrophobicContact CD1-CB 4.14Å; L219-K305 HydrophobicContact CD2-CB 3.92Å; L219-K305 HydrophobicContact CD2-CD 4.2Å; L291-K305 PolarHBondContact O-NZ 3.16Å; S292-K305 PolarHBondContact O-NZ 2.73Å; I295-K305 WeakPolarHBondContact O-CE 3.33Å; I295-K305 PolarHBondContact O-NZ 2.92Å; A296-K305 HydrophobicContact CB-CB 4.49Å; A296-K305 HydrophobicContact CB-CD 4.3Å; A296-K305 HydrophobicContact CB-CG 3.96Å; A296-K305 WeakPolarHBondContact O-CE 3.39Å; L299-K305 HydrophobicContact CB-CG 3.83Å; L299-K305 HydrophobicContact CD1-CG 4.24Å; L299-K305 WeakPolarHBondContact O-CE 3.47Å; L299-K305 PolarHBondContact O-NZ 3.43Å; S301-K305 WeakPolarHBondContact O-CG 3.3Å; S301-K305 PolarHBondContact O-N 3Å; F302-K305 PolarHBondContact O-N 2.88Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.22Å; K305-L308 PolarHBondContact O-N 2.96Å; K305-L309 WeakPolarHBondContact O-CG 3.44Å; K305-L309 PolarHBondContact O-N 2.81Å |
| 306 | Y | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 177.4 | 168.4 | -97.9 | 0 | 0 | 0 | 110.9 | L216 V220 K222 I227 D230 F302 L303 D304 L308 L309 C310 | L216-Y306 HydrophobicContact CB-CD2 4.27Å; L216-Y306 HydrophobicContact CB-CE2 4.08Å; L216-Y306 HydrophobicContact CD2-CD2 3.64Å; L216-Y306 HydrophobicContact CD2-CE2 3.75Å; L216-Y306 HydrophobicContact CG-CE2 4.41Å; V220-Y306 HydrophobicContact CB-CG 4.46Å; V220-Y306 HydrophobicContact CG1-CD1 4.17Å; V220-Y306 HydrophobicContact CG1-CD2 4.35Å; V220-Y306 HydrophobicContact CG1-CG 3.84Å; V220-Y306 HydrophobicContact CG2-CD1 4.1Å; V220-Y306 HydrophobicContact CG2-CD2 3.44Å; V220-Y306 VanDerWaalsContact CG2-CD2 3.44Å; V220-Y306 HydrophobicContact CG2-CE1 4.25Å; V220-Y306 HydrophobicContact CG2-CE2 3.59Å; V220-Y306 HydrophobicContact CG2-CG 3.72Å; K222-Y306 HydrophobicContact CD-CE1 4.25Å; I227-Y306 WeakPolarHBondContact CA-OH 3.39Å; I227-Y306 HydrophobicContact CG1-CE2 4.35Å; I227-Y306 HydrophobicContact CG2-CE2 4.49Å; D230-Y306 HydrophobicContact CB-CE1 4.15Å; D230-Y306 WeakPolarHBondContact CB-OH 3.38Å; D230-Y306 WeakPolarHBondContact OD2-CE1 3.26Å; D230-Y306 PolarHBondContact OD2-OH 3.5Å; F302-Y306 WeakPolarHBondContact O-CB 3.11Å; F302-Y306 PolarHBondContact O-N 3.47Å; L303-Y306 WeakPolarHBondContact O-CB 3.07Å; L303-Y306 PolarHBondContact O-N 3.2Å; L303-Y306 VanDerWaalsContact O-N 3.14Å; D304-Y306 VanDerWaalsContact C-N 3.35Å; Y306-L308 PolarHBondContact O-N 3.01Å; Y306-L309 PolarHBondContact O-N 2.83Å; Y306-L309 VanDerWaalsContact O-N 3.17Å; Y306-C310 VanDerWaalsContact CZ-SG 3.58Å; Y306-C310 PolarHBondContact O-N 2.8Å; Y306-C310 PolarHBondContact O-SG 3.33Å |
| 307 | H | 94.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.3 | -63.8 | 154 | 0 | 0 | 0 | 113 | L303 D304 C310 F311 I514 E515 L538 | L303-H307 PolarHBondContact O-N 3.26Å; L303-H307 PolarHBondContact O-ND1 3.15Å; D304-H307 PolarHBondContact O-N 3.35Å; H307-C310 PolarHBondContact O-N 2.92Å; H307-F311 PolarHBondContact O-N 2.65Å; H307-I514 HydrophobicContact CB-CG2 4.43Å; H307-E515 IonicContact CE1-OE1 3.01Å; H307-E515 PolarHBondContact CE1-OE1 2.7Å; H307-E515 IonicContact NE2-OE1 3.07Å; H307-E515 PolarHBondContact NE2-OE1 3.17Å; H307-L538 HydrophobicContact CB-CB 4.36Å; H307-L538 HydrophobicContact CB-CD2 4.13Å |
| 308 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 173.7 | 170.4 | 61 | 0 | 0 | 0 | 111.6 | M175 A296 H298 L299 D304 K305 Y306 F311 M312 G536 | M175-L308 HydrophobicContact CE-CD1 3.98Å; M175-L308 HydrophobicContact CE-CD2 3.78Å; M175-L308 HydrophobicContact SD-CD1 4.03Å; M175-L308 HydrophobicContact SD-CD2 3.84Å; M175-L308 HydrophobicContact SD-CG 4.37Å; A296-L308 HydrophobicContact CB-CD2 4.05Å; H298-L308 VanDerWaalsContact CE1-CD2 3.49Å; H298-L308 WeakPolarHBondContact CE1-CD2 3.42Å; L299-L308 HydrophobicContact CD1-CB 4.05Å; L299-L308 HydrophobicContact CD1-CD2 3.73Å; D304-L308 WeakPolarHBondContact O-CB 3.43Å; D304-L308 PolarHBondContact O-N 3.37Å; K305-L308 PolarHBondContact O-N 2.96Å; Y306-L308 PolarHBondContact O-N 3.01Å; L308-F311 HydrophobicContact CD1-CD1 4.45Å; L308-F311 WeakPolarHBondContact O-CB 3.37Å; L308-F311 PolarHBondContact O-N 3.21Å; L308-M312 HydrophobicContact CD1-CG 4.21Å; L308-M312 HydrophobicContact CD1-SD 4.45Å; L308-M312 HydrophobicContact CG-SD 4.34Å; L308-M312 WeakPolarHBondContact O-CG 3.38Å; L308-M312 PolarHBondContact O-N 2.9Å; L308-G536 WeakPolarHBondContact CD1-O 3.39Å |
| 309 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | 178.5 | -69.7 | 176.9 | 0 | 0 | 0 | 111.8 | L199 I212 I215 L216 L219 K305 Y306 F311 M312 I313 | L199-L309 HydrophobicContact CD1-CD2 4.31Å; L199-L309 HydrophobicContact CD2-CD2 4.31Å; I212-L309 HydrophobicContact CD1-CB 4.44Å; I212-L309 HydrophobicContact CD1-CD1 4.17Å; I212-L309 HydrophobicContact CD1-CD2 4.17Å; I215-L309 HydrophobicContact CG2-CD1 3.65Å; L216-L309 HydrophobicContact CD2-CB 3.84Å; L216-L309 HydrophobicContact CD2-CD1 4.45Å; L219-L309 HydrophobicContact CD1-CD1 3.62Å; K305-L309 WeakPolarHBondContact O-CG 3.44Å; K305-L309 PolarHBondContact O-N 2.81Å; Y306-L309 PolarHBondContact O-N 2.83Å; Y306-L309 VanDerWaalsContact O-N 3.17Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 2.86Å; L309-M312 HydrophobicContact CD2-SD 4.01Å; L309-M312 PolarHBondContact O-N 3.32Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.35Å |
| 310 | C | 93.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.02 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 171 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | Y306 H307 I313 K314 | Y306-C310 VanDerWaalsContact CZ-SG 3.58Å; Y306-C310 PolarHBondContact O-N 2.8Å; Y306-C310 PolarHBondContact O-SG 3.33Å; H307-C310 PolarHBondContact O-N 2.92Å; C310-I313 PolarHBondContact O-N 2.9Å; C310-K314 PolarHBondContact O-N 3.12Å; C310-K314 VanDerWaalsContact O-N 3.13Å |
| 311 | F | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 173.4 | 173.6 | -100.8 | 0 | 0 | 0 | 112.4 | P153 H307 L308 L309 I313 K314 K315 P531 L533 Y585 Y589 | P153-F311 HydrophobicContact CG-CD1 4.12Å; P153-F311 HydrophobicContact CG-CE1 3.6Å; H307-F311 PolarHBondContact O-N 2.65Å; L308-F311 HydrophobicContact CD1-CD1 4.45Å; L308-F311 WeakPolarHBondContact O-CB 3.37Å; L308-F311 PolarHBondContact O-N 3.21Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 2.86Å; F311-I313 VanDerWaalsContact C-N 3.32Å; F311-I313 PolarHBondContact O-N 3.12Å; F311-K314 WeakPolarHBondContact O-CB 3.49Å; F311-K314 PolarHBondContact O-N 2.94Å; F311-K315 HydrophobicContact CE1-CD 4.45Å; F311-K315 HydrophobicContact CZ-CD 4.45Å; F311-K315 PolarHBondContact O-N 3.17Å; F311-P531 HydrophobicContact CD2-CB 4.37Å; F311-P531 HydrophobicContact CD2-CG 4.38Å; F311-P531 HydrophobicContact CE2-CB 4.15Å; F311-P531 HydrophobicContact CE2-CG 3.74Å; F311-L533 HydrophobicContact CD1-CD2 3.98Å; F311-L533 HydrophobicContact CE1-CD1 4.46Å; F311-L533 HydrophobicContact CE1-CD2 3.84Å; F311-L533 HydrophobicContact CE2-CD1 4.24Å; F311-L533 HydrophobicContact CZ-CD1 4.17Å; F311-L533 HydrophobicContact CZ-CD2 4.35Å; F311-Y585 HydrophobicContact CE2-CD1 4.08Å; F311-Y585 AromaticContact CE2-CE1 3.56Å; F311-Y585 HydrophobicContact CE2-CE1 3.56Å; F311-Y585 HydrophobicContact CZ-CD1 4.08Å; F311-Y585 HydrophobicContact CZ-CE1 4.03Å; F311-Y589 HydrophobicContact CZ-CE1 4.17Å |
| 312 | M | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.7 | -70 | 177.2 | 75.1 | 0 | 0 | 112.4 | P153 I173 M175 L189 L308 L309 K315 L316 | P153-M312 HydrophobicContact CB-CE 4.48Å; P153-M312 HydrophobicContact CB-CG 4Å; I173-M312 HydrophobicContact CB-CE 4.28Å; I173-M312 HydrophobicContact CG2-CB 4.47Å; I173-M312 HydrophobicContact CG2-CE 3.58Å; I173-M312 HydrophobicContact CG2-CG 4.31Å; M175-M312 HydrophobicContact CB-CE 4.06Å; M175-M312 HydrophobicContact SD-SD 4.12Å; L189-M312 HydrophobicContact CB-CE 4.28Å; L189-M312 HydrophobicContact CD2-CB 3.98Å; L308-M312 HydrophobicContact CD1-CG 4.21Å; L308-M312 HydrophobicContact CD1-SD 4.45Å; L308-M312 HydrophobicContact CG-SD 4.34Å; L308-M312 WeakPolarHBondContact O-CG 3.38Å; L308-M312 PolarHBondContact O-N 2.9Å; L309-M312 HydrophobicContact CD2-SD 4.01Å; L309-M312 PolarHBondContact O-N 3.32Å; M312-K315 PolarHBondContact O-N 2.99Å; M312-L316 VanDerWaalsContact O-CB 3.29Å; M312-L316 WeakPolarHBondContact O-CB 2.89Å; M312-L316 PolarHBondContact O-N 3.14Å |
| 313 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.7 | -67.3 | 162.7 | 0 | 0 | 0 | 110.3 | L189 I212 L216 I231 I248 L309 C310 F311 L316 H317 | L189-I313 HydrophobicContact CD2-CG1 3.98Å; I212-I313 HydrophobicContact CG1-CD1 3.81Å; I212-I313 HydrophobicContact CG1-CG1 4.19Å; I212-I313 HydrophobicContact CG2-CD1 4.27Å; L216-I313 HydrophobicContact CD1-CD1 3.8Å; I231-I313 HydrophobicContact CD1-CD1 4.49Å; I231-I313 HydrophobicContact CG1-CD1 4.5Å; I231-I313 HydrophobicContact CG2-CG2 4.06Å; I248-I313 HydrophobicContact CD1-CD1 4.36Å; I248-I313 HydrophobicContact CD1-CG2 3.83Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.35Å; C310-I313 PolarHBondContact O-N 2.9Å; F311-I313 VanDerWaalsContact C-N 3.32Å; F311-I313 PolarHBondContact O-N 3.12Å; I313-L316 PolarHBondContact O-N 2.99Å; I313-H317 WeakPolarHBondContact O-CB 3.02Å; I313-H317 PolarHBondContact O-N 3.15Å |
| 314 | K | 91.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 176.5 | -77.2 | -176.6 | -83.2 | -147.3 | 0 | 112.1 | D230 I231 R233 L241 C310 F311 L316 H317 A318 | D230-K314 PolarHBondContact O-NZ 2.81Å; I231-K314 WeakPolarHBondContact O-CD 3.5Å; I231-K314 WeakPolarHBondContact O-CG 3.45Å; R233-K314 PolarHBondContact O-NZ 3.4Å; L241-K314 HydrophobicContact CD2-CG 4.47Å; C310-K314 PolarHBondContact O-N 3.12Å; C310-K314 VanDerWaalsContact O-N 3.13Å; F311-K314 WeakPolarHBondContact O-CB 3.49Å; F311-K314 PolarHBondContact O-N 2.94Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 2.98Å; K314-H317 PolarHBondContact O-N 2.83Å; K314-A318 WeakPolarHBondContact O-CB 3.38Å; K314-A318 PolarHBondContact O-N 2.79Å |
| 315 | K | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 178.4 | -171.4 | 172.9 | 176.4 | 176.7 | 0 | 111.6 | Y152 P153 I173 F311 M312 A318 F319 E327 Y585 | Y152-K315 PolarHBondContact OH-NZ 3.29Å; P153-K315 HydrophobicContact CG-CD 4.45Å; P153-K315 WeakPolarHBondContact O-CE 3.43Å; P153-K315 PolarHBondContact O-NZ 3.24Å; I173-K315 HydrophobicContact CD1-CB 4.19Å; I173-K315 HydrophobicContact CD1-CD 4.07Å; I173-K315 HydrophobicContact CD1-CG 3.76Å; F311-K315 HydrophobicContact CE1-CD 4.45Å; F311-K315 HydrophobicContact CZ-CD 4.45Å; F311-K315 PolarHBondContact O-N 3.17Å; M312-K315 PolarHBondContact O-N 2.99Å; K315-A318 PolarHBondContact O-N 3.42Å; K315-F319 WeakPolarHBondContact O-CB 3.44Å; K315-F319 PolarHBondContact O-N 2.94Å; K315-E327 WeakPolarHBondContact CE-OE2 3.46Å; K315-E327 VanDerWaalsContact NZ-CD 3.3Å; K315-E327 IonicContact NZ-OE1 3.55Å; K315-E327 PolarHBondContact NZ-OE1 3.5Å; K315-E327 VanDerWaalsContact NZ-OE1 3.07Å; K315-E327 IonicContact NZ-OE2 2.72Å; K315-E327 PolarHBondContact NZ-OE2 2.79Å; K315-Y585 HydrophobicContact CB-CD2 4.23Å; K315-Y585 HydrophobicContact CB-CE2 4.29Å; K315-Y585 HydrophobicContact CD-CG 4.19Å; K315-Y585 HydrophobicContact CG-CD2 3.84Å; K315-Y585 HydrophobicContact CG-CE2 4.4Å; K315-Y585 HydrophobicContact CG-CG 3.92Å |
| 316 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 176 | -178.1 | 61.1 | 0 | 0 | 0 | 111.7 | I173 L189 W191 P197 M312 I313 K314 F319 V320 | I173-L316 HydrophobicContact CG1-CB 3.62Å; I173-L316 HydrophobicContact CG1-CD1 3.94Å; I173-L316 HydrophobicContact CG1-CG 4.32Å; L189-L316 HydrophobicContact CB-CD2 4.49Å; L189-L316 HydrophobicContact CD2-CB 4.4Å; L189-L316 HydrophobicContact CD2-CD2 3.88Å; L189-L316 HydrophobicContact CG-CD2 3.81Å; W191-L316 HydrophobicContact CB-CD1 4.11Å; W191-L316 HydrophobicContact CB-CD2 4.14Å; W191-L316 HydrophobicContact CB-CG 4.29Å; W191-L316 HydrophobicContact CE3-CD2 3.88Å; W191-L316 HydrophobicContact CE3-CG 3.93Å; P197-L316 HydrophobicContact CB-CD2 4.03Å; P197-L316 HydrophobicContact CG-CD2 4.18Å; M312-L316 VanDerWaalsContact O-CB 3.29Å; M312-L316 WeakPolarHBondContact O-CB 2.89Å; M312-L316 PolarHBondContact O-N 3.14Å; I313-L316 PolarHBondContact O-N 2.99Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 2.98Å; L316-F319 PolarHBondContact O-N 3.43Å; L316-V320 HydrophobicContact CD1-CG2 4.39Å; L316-V320 WeakPolarHBondContact O-CG2 3.32Å; L316-V320 PolarHBondContact O-N 2.94Å |
| 317 | H | 92.8 | Very high | 93 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 176.4 | 174.6 | -90.1 | 0 | 0 | 0 | 110.9 | S240 L241 I313 K314 F319 V320 S321 | S240-H317 PolarHBondContact OG-CE1 3.04Å; S240-H317 PolarHBondContact OG-NE2 2.78Å; L241-H317 HydrophobicContact CD1-CB 3.97Å; L241-H317 PolarHBondContact N-NE2 3.25Å; I313-H317 WeakPolarHBondContact O-CB 3.02Å; I313-H317 PolarHBondContact O-N 3.15Å; K314-H317 PolarHBondContact O-N 2.83Å; H317-F319 VanDerWaalsContact C-N 3.26Å; H317-F319 PolarHBondContact O-N 3.4Å; H317-V320 PolarHBondContact O-N 3.14Å; H317-V320 VanDerWaalsContact O-N 3.15Å; H317-S321 PolarHBondContact CE1-OG 2.79Å; H317-S321 WeakPolarHBondContact O-CB 3.37Å; H317-S321 PolarHBondContact O-N 3.13Å; H317-S321 PolarHBondContact O-OG 3.39Å; H317-S321 VanDerWaalsContact O-OG 3.08Å |
| 318 | A | 90.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K314 K315 S321 G322 L323 C324 Y585 | K314-A318 WeakPolarHBondContact O-CB 3.38Å; K314-A318 PolarHBondContact O-N 2.79Å; K315-A318 PolarHBondContact O-N 3.42Å; A318-S321 PolarHBondContact O-N 3.24Å; A318-G322 PolarHBondContact O-N 3.18Å; A318-L323 HydrophobicContact CB-CB 4.13Å; A318-L323 WeakPolarHBondContact O-CA 3.16Å; A318-L323 WeakPolarHBondContact O-CB 3.48Å; A318-L323 PolarHBondContact O-N 3.44Å; A318-C324 HydrophobicContact CB-CB 4.32Å; A318-C324 PolarHBondContact O-N 3.28Å; A318-C324 VanDerWaalsContact O-N 3.1Å; A318-Y585 HydrophobicContact CB-CD2 3.92Å; A318-Y585 HydrophobicContact CB-CE2 3.64Å |
| 319 | F | 93.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.4 | 179.6 | -132.4 | 0 | 0 | 0 | 112.6 | A155 H171 K315 L316 H317 S321 G322 C324 E326 | A155-F319 HydrophobicContact CB-CB 4.22Å; A155-F319 HydrophobicContact CB-CD1 3.99Å; A155-F319 HydrophobicContact CB-CD2 3.9Å; A155-F319 HydrophobicContact CB-CE1 4.29Å; A155-F319 HydrophobicContact CB-CE2 4.23Å; A155-F319 HydrophobicContact CB-CG 3.78Å; A155-F319 HydrophobicContact CB-CZ 4.41Å; H171-F319 HydrophobicContact CB-CD1 4Å; H171-F319 HydrophobicContact CB-CE1 3.82Å; H171-F319 AromaticContact ND1-CE1 3.49Å; H171-F319 WeakPolarHBondContact ND1-CE1 3.18Å; H171-F319 AromaticContact ND1-CZ 3.79Å; K315-F319 WeakPolarHBondContact O-CB 3.44Å; K315-F319 PolarHBondContact O-N 2.94Å; L316-F319 PolarHBondContact O-N 3.43Å; H317-F319 VanDerWaalsContact C-N 3.26Å; H317-F319 PolarHBondContact O-N 3.4Å; F319-S321 VanDerWaalsContact C-N 3.35Å; F319-G322 PolarHBondContact O-N 2.97Å; F319-C324 HydrophobicContact CB-CB 4.16Å; F319-C324 WeakPolarHBondContact CD2-O 3.49Å; F319-E326 HydrophobicContact CE2-CB 3.98Å; F319-E326 HydrophobicContact CZ-CB 4.23Å; F319-E326 HydrophobicContact CZ-CG 4.34Å |
| 320 | V | 92.5 | Very high | 92 | Very high | 48 Ų | 48 | 28.5 Ų | 28.5 | 29% | 0.291 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.9 | -34.5 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.8 | H171 W191 L316 H317 G322 | H171-V320 HydrophobicContact CB-CG2 3.92Å; W191-V320 HydrophobicContact CB-CG2 4.04Å; W191-V320 HydrophobicContact CD2-CB 4.49Å; W191-V320 HydrophobicContact CD2-CG1 4.4Å; W191-V320 HydrophobicContact CD2-CG2 3.83Å; W191-V320 HydrophobicContact CE3-CG2 4.31Å; W191-V320 HydrophobicContact CG-CG2 3.69Å; W191-V320 HydrophobicContact CZ2-CG1 4.33Å; L316-V320 HydrophobicContact CD1-CG2 4.39Å; L316-V320 WeakPolarHBondContact O-CG2 3.32Å; L316-V320 PolarHBondContact O-N 2.94Å; H317-V320 PolarHBondContact O-N 3.14Å; H317-V320 VanDerWaalsContact O-N 3.15Å; V320-G322 PolarHBondContact O-N 2.85Å |
| 321 | S | 90 | Very high | 91.9 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.5 | 175.7 | -59 | 0 | 0 | 0 | 0 | 113.9 | H317 A318 F319 L323 | H317-S321 PolarHBondContact CE1-OG 2.79Å; H317-S321 WeakPolarHBondContact O-CB 3.37Å; H317-S321 PolarHBondContact O-N 3.13Å; H317-S321 PolarHBondContact O-OG 3.39Å; H317-S321 VanDerWaalsContact O-OG 3.08Å; A318-S321 PolarHBondContact O-N 3.24Å; F319-S321 VanDerWaalsContact C-N 3.35Å; S321-L323 VanDerWaalsContact C-N 3.3Å; S321-L323 PolarHBondContact O-N 3.12Å |
| 322 | G | 89 | Confident | 91.9 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 13.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A318 F319 V320 G582 | A318-G322 PolarHBondContact O-N 3.18Å; F319-G322 PolarHBondContact O-N 2.97Å; V320-G322 PolarHBondContact O-N 2.85Å; G322-G582 WeakPolarHBondContact O-CA 3.38Å |
| 323 | L | 88.1 | Confident | 91.8 | Very high | 116 Ų | 116 | 30.2 Ų | 30.2 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -86.3 | -14.8 | 174.7 | -62.2 | 173 | 0 | 0 | 0 | 112.7 | A318 S321 G582 | A318-L323 HydrophobicContact CB-CB 4.13Å; A318-L323 WeakPolarHBondContact O-CA 3.16Å; A318-L323 WeakPolarHBondContact O-CB 3.48Å; A318-L323 PolarHBondContact O-N 3.44Å; S321-L323 VanDerWaalsContact C-N 3.3Å; S321-L323 PolarHBondContact O-N 3.12Å; L323-G582 WeakPolarHBondContact O-CA 3.15Å |
| 324 | C | 91.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -121.7 | 137.6 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | A318 F319 S583 Y585 | A318-C324 HydrophobicContact CB-CB 4.32Å; A318-C324 PolarHBondContact O-N 3.28Å; A318-C324 VanDerWaalsContact O-N 3.1Å; F319-C324 HydrophobicContact CB-CB 4.16Å; F319-C324 WeakPolarHBondContact CD2-O 3.49Å; C324-S583 CarbonylContact C-O 3.52Å; C324-S583 VanDerWaalsContact CA-O 3.25Å; C324-S583 WeakPolarHBondContact CA-O 3.37Å; C324-Y585 HydrophobicContact CB-CD2 4.36Å |
| 325 | C | 93.4 | Very high | 92 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 32% | 0.324 | 19% | 0.186 | S | C | . | . | trans | -76.2 | 165.8 | 173.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | S583 | C325-S583 PolarHBondContact N-O 2.96Å; C325-S583 VanDerWaalsContact SG-C 3.51Å | ||
| 326 | E | 93.7 | Very high | 92 | Very high | 108 Ų | 108 | 31 Ų | 31 | 51% | 0.505 | 19% | 0.186 | S | C | . | . | trans | -72.2 | 132.1 | 170.8 | -175.3 | 179.4 | 175.9 | 0 | 0 | 111.1 | S157 F319 | S157-E326 PolarHBondContact N-OE1 3.36Å; F319-E326 HydrophobicContact CE2-CB 3.98Å; F319-E326 HydrophobicContact CZ-CB 4.23Å; F319-E326 HydrophobicContact CZ-CG 4.34Å | ||
| 327 | E | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | trans | -103.4 | 98.4 | 180 | -65.1 | 179.2 | 137.7 | 0 | 0 | 110 | Y152 L154 A155 K315 N329 F334 Q584 | Y152-E327 PolarHBondContact OH-OE1 3.27Å; L154-E327 VanDerWaalsContact CA-OE2 3.3Å; L154-E327 WeakPolarHBondContact CA-OE2 3.39Å; L154-E327 HydrophobicContact CD2-CB 4.02Å; A155-E327 HydrophobicContact CB-CG 4.35Å; A155-E327 PolarHBondContact N-OE2 3.22Å; A155-E327 WeakPolarHBondContact O-CA 3.44Å; A155-E327 WeakPolarHBondContact O-CB 3.32Å; A155-E327 PolarHBondContact O-N 3.38Å; K315-E327 WeakPolarHBondContact CE-OE2 3.46Å; K315-E327 VanDerWaalsContact NZ-CD 3.3Å; K315-E327 IonicContact NZ-OE1 3.55Å; K315-E327 PolarHBondContact NZ-OE1 3.5Å; K315-E327 VanDerWaalsContact NZ-OE1 3.07Å; K315-E327 IonicContact NZ-OE2 2.72Å; K315-E327 PolarHBondContact NZ-OE2 2.79Å; E327-N329 PolarHBondContact O-N 3.23Å; E327-F334 HydrophobicContact CB-CD2 4.13Å; E327-F334 HydrophobicContact CB-CE1 4.3Å; E327-F334 HydrophobicContact CB-CE2 3.49Å; E327-F334 VanDerWaalsContact CB-CE2 3.49Å; E327-F334 HydrophobicContact CB-CZ 3.56Å; E327-F334 HydrophobicContact CG-CE1 4.23Å; E327-F334 HydrophobicContact CG-CE2 3.88Å; E327-F334 HydrophobicContact CG-CZ 3.47Å; E327-F334 VanDerWaalsContact CG-CZ 3.47Å; E327-Q584 WeakPolarHBondContact OE1-CG 3.19Å; E327-Q584 PolarHBondContact OE1-NE2 3.01Å; E327-Q584 VanDerWaalsContact OE1-NE2 3.08Å | ||
| 328 | S | 87.6 | Confident | 92.1 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 39% | 0.392 | 18% | 0.184 | S | C | . | . | trans | -74.9 | 125 | -179.4 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | D330 N331 F334 | S328-D330 PolarHBondContact O-N 3.11Å; S328-D330 PolarHBondContact OG-N 2.88Å; S328-N331 WeakPolarHBondContact O-CB 3.24Å; S328-N331 PolarHBondContact O-N 3.45Å; S328-F334 WeakPolarHBondContact O-CD2 3.36Å | ||
| 329 | N | 86.6 | Confident | 92.3 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -0.5 | 173.8 | -164.5 | 30.5 | 0 | 0 | 0 | 114 | S148 E327 F334 Q335 R443 | S148-N329 WeakPolarHBondContact CA-OD1 3.27Å; E327-N329 PolarHBondContact O-N 3.23Å; N329-F334 PolarHBondContact OD1-O 3.24Å; N329-Q335 PolarHBondContact O-NE2 3.37Å; N329-R443 PolarHBondContact O-NH2 2.87Å |
| 330 | D | 89.4 | Confident | 92.4 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -14.9 | 171.9 | -63.5 | -26.1 | 0 | 0 | 0 | 112.7 | S328 Q335 R443 V455 | S328-D330 PolarHBondContact O-N 3.11Å; S328-D330 PolarHBondContact OG-N 2.88Å; D330-Q335 VanDerWaalsContact CA-NE2 3.32Å; D330-Q335 PolarHBondContact O-NE2 3.44Å; D330-R443 IonicContact OD1-CZ 3.47Å; D330-R443 IonicContact OD1-NE 2.89Å; D330-R443 IonicContact OD1-NH2 3.01Å; D330-R443 PolarHBondContact OD1-NH2 3.19Å; D330-V455 VanDerWaalsContact OD2-CG1 3.27Å; D330-V455 WeakPolarHBondContact OD2-CG1 3.21Å |
| 331 | N | 92.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -75 | 128 | 174.5 | -167.7 | -38.2 | 0 | 0 | 0 | 110.8 | S328 M333 F334 Q335 L459 E461 | S328-N331 WeakPolarHBondContact O-CB 3.24Å; S328-N331 PolarHBondContact O-N 3.45Å; N331-M333 PolarHBondContact O-N 3.26Å; N331-M333 WeakPolarHBondContact OD1-CB 3.32Å; N331-M333 PolarHBondContact OD1-N 3.01Å; N331-F334 HydrophobicContact CB-CD2 4.05Å; N331-F334 PolarHBondContact O-N 2.98Å; N331-Q335 WeakPolarHBondContact O-CG 2.89Å; N331-L459 HydrophobicContact CB-CD1 4.48Å; N331-E461 VanDerWaalsContact ND2-CD 3.28Å; N331-E461 PolarHBondContact ND2-OE1 3.32Å; N331-E461 WeakPolarHBondContact OD1-CB 3.31Å; N331-E461 WeakPolarHBondContact OD1-CG 3.09Å |
| 332 | P | 94 | Very high | 92.4 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -50.2 | -28.3 | 175 | -30.4 | 35.7 | 0 | 0 | 0 | 115.6 | F334 Q335 E461 A462 F466 T621 | P332-F334 VanDerWaalsContact C-N 3.26Å; P332-F334 PolarHBondContact O-N 2.53Å; P332-Q335 PolarHBondContact O-N 2.87Å; P332-E461 HydrophobicContact CB-CB 4.38Å; P332-E461 HydrophobicContact CG-CB 4.47Å; P332-A462 HydrophobicContact CG-CB 4.13Å; P332-F466 HydrophobicContact CB-CE2 4.11Å; P332-F466 HydrophobicContact CG-CD2 4.4Å; P332-F466 HydrophobicContact CG-CE2 4.14Å; P332-T621 WeakPolarHBondContact O-CB 3.37Å; P332-T621 PolarHBondContact O-OG1 2.99Å |
| 333 | M | 93.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -55.1 | -42.1 | 174.5 | 170.9 | 163.3 | 67.6 | 0 | 0 | 112.3 | R149 N331 Q335 Q584 F622 V625 | R149-M333 PolarHBondContact NE-O 3.33Å; N331-M333 PolarHBondContact O-N 3.26Å; N331-M333 WeakPolarHBondContact OD1-CB 3.32Å; N331-M333 PolarHBondContact OD1-N 3.01Å; M333-Q335 VanDerWaalsContact C-N 3.32Å; M333-Q584 VanDerWaalsContact CE-OE1 3.3Å; M333-F622 HydrophobicContact CG-CB 3.93Å; M333-F622 HydrophobicContact CG-CD1 4.25Å; M333-F622 HydrophobicContact CG-CD2 3.23Å; M333-F622 HydrophobicContact CG-CE2 3.75Å; M333-F622 HydrophobicContact CG-CG 3.53Å; M333-F622 HydrophobicContact CG-CZ 4.47Å; M333-F622 HydrophobicContact SD-CD2 3.17Å; M333-F622 WeakPolarHBondContact SD-CD2 3.42Å; M333-F622 HydrophobicContact SD-CE2 3.31Å; M333-F622 WeakPolarHBondContact SD-CE2 3.47Å; M333-F622 HydrophobicContact SD-CG 4.11Å; M333-F622 HydrophobicContact SD-CZ 4.34Å; M333-V625 HydrophobicContact SD-CB 4.48Å; M333-V625 HydrophobicContact SD-CG2 3.99Å |
| 334 | F | 95.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.022 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -96.1 | 14.6 | -176.6 | -57.5 | -52.7 | 0 | 0 | 0 | 113.3 | R149 Y152 L154 E327 S328 N329 N331 P332 F622 | R149-F334 VanDerWaalsContact CB-O 3.23Å; R149-F334 WeakPolarHBondContact CB-O 3.4Å; R149-F334 PolarHBondContact N-O 2.89Å; Y152-F334 HydrophobicContact CD1-CD1 4.17Å; Y152-F334 HydrophobicContact CD1-CE1 4.33Å; Y152-F334 AromaticContact CE1-CD1 3.89Å; Y152-F334 HydrophobicContact CE1-CD1 3.89Å; Y152-F334 AromaticContact CE1-CE1 3.6Å; Y152-F334 HydrophobicContact CE1-CE1 3.6Å; L154-F334 HydrophobicContact CD2-CB 3.66Å; L154-F334 HydrophobicContact CD2-CD1 3.32Å; L154-F334 HydrophobicContact CD2-CD2 4.05Å; L154-F334 HydrophobicContact CD2-CE1 3.88Å; L154-F334 HydrophobicContact CD2-CG 3.4Å; L154-F334 HydrophobicContact CD2-CZ 4.43Å; E327-F334 HydrophobicContact CB-CD2 4.13Å; E327-F334 HydrophobicContact CB-CE1 4.3Å; E327-F334 HydrophobicContact CB-CE2 3.49Å; E327-F334 VanDerWaalsContact CB-CE2 3.49Å; E327-F334 HydrophobicContact CB-CZ 3.56Å; E327-F334 HydrophobicContact CG-CE1 4.23Å; E327-F334 HydrophobicContact CG-CE2 3.88Å; E327-F334 HydrophobicContact CG-CZ 3.47Å; E327-F334 VanDerWaalsContact CG-CZ 3.47Å; S328-F334 WeakPolarHBondContact O-CD2 3.36Å; N329-F334 PolarHBondContact OD1-O 3.24Å; N331-F334 HydrophobicContact CB-CD2 4.05Å; N331-F334 PolarHBondContact O-N 2.98Å; P332-F334 VanDerWaalsContact C-N 3.26Å; P332-F334 PolarHBondContact O-N 2.53Å; F334-F622 HydrophobicContact CE1-CE1 4.4Å; F334-F622 HydrophobicContact CE1-CZ 4.16Å |
| 335 | Q | 94.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 16.7 Ų | 16.7 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 154 | -177.7 | -71.1 | 171.5 | 4.6 | 0 | 0 | 111.7 | I146 M147 N329 D330 N331 P332 M333 | I146-Q335 HydrophobicContact CG2-CB 3.75Å; I146-Q335 HydrophobicContact CG2-CG 3.5Å; I146-Q335 VanDerWaalsContact CG2-CG 3.5Å; I146-Q335 VanDerWaalsContact CG2-OE1 3.26Å; M147-Q335 CarbonylContact O-C 3.57Å; M147-Q335 VanDerWaalsContact O-CA 3.29Å; M147-Q335 WeakPolarHBondContact O-CA 3.38Å; N329-Q335 PolarHBondContact O-NE2 3.37Å; D330-Q335 VanDerWaalsContact CA-NE2 3.32Å; D330-Q335 PolarHBondContact O-NE2 3.44Å; N331-Q335 WeakPolarHBondContact O-CG 2.89Å; P332-Q335 PolarHBondContact O-N 2.87Å; M333-Q335 VanDerWaalsContact C-N 3.32Å |
| 336 | E | 94.4 | Very high | 93 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 171.9 | 165.7 | 73 | 176.1 | -143.9 | 0 | 0 | 109.5 | I146 M147 R150 R176 | I146-E336 WeakPolarHBondContact CA-O 3.46Å; M147-E336 HydrophobicContact CB-CG 4.07Å; M147-E336 PolarHBondContact N-O 3.12Å; M147-E336 PolarHBondContact O-N 3.23Å; R150-E336 VanDerWaalsContact CB-OE2 3.24Å; R150-E336 WeakPolarHBondContact CB-OE2 3.24Å; R150-E336 WeakPolarHBondContact CG-OE2 3.29Å; R150-E336 IonicContact CZ-OE1 3.85Å; R150-E336 IonicContact CZ-OE2 3.57Å; R150-E336 PolarHBondContact N-OE2 3.29Å; R150-E336 IonicContact NE-OE1 2.96Å; R150-E336 PolarHBondContact NE-OE1 2.91Å; R150-E336 IonicContact NE-OE2 3.71Å; R150-E336 PolarHBondContact NE-OE2 3.01Å; R150-E336 IonicContact NH2-OE1 2.81Å; R150-E336 PolarHBondContact NH2-OE1 3.42Å; R150-E336 IonicContact NH2-OE2 3.12Å; R176-E336 IonicContact CZ-OE1 2.8Å; R176-E336 VanDerWaalsContact NH1-CD 3.34Å; R176-E336 IonicContact NH1-OE1 2.92Å; R176-E336 PolarHBondContact NH1-OE1 3.02Å; R176-E336 IonicContact NH1-OE2 3.64Å; R176-E336 IonicContact NH2-OE1 3.85Å |
| 337 | V | 95.2 | Very high | 93 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.4 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | L144 L145 L339 V441 S595 L597 | L144-V337 HydrophobicContact CB-CG1 3.62Å; L144-V337 HydrophobicContact CD1-CG1 4.37Å; L144-V337 HydrophobicContact CD2-CG1 3.93Å; L144-V337 HydrophobicContact CG-CG1 4.17Å; L145-V337 CarbonylContact O-C 3.52Å; L145-V337 WeakPolarHBondContact O-CA 3.38Å; V337-L339 HydrophobicContact CG1-CD2 4.35Å; V337-L339 PolarHBondContact O-N 3.01Å; V337-V441 HydrophobicContact CG2-CG1 4.17Å; V337-S595 PolarHBondContact N-O 3.24Å; V337-S595 WeakPolarHBondContact O-CB 3.07Å; V337-S595 PolarHBondContact O-OG 2.64Å; V337-L597 HydrophobicContact CB-CD2 4.37Å; V337-L597 HydrophobicContact CG2-CD1 3.78Å; V337-L597 HydrophobicContact CG2-CD2 3.78Å; V337-L597 HydrophobicContact CG2-CG 3.77Å |
| 338 | L | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 114.9 | 169 | -176.2 | 71.9 | 0 | 0 | 0 | 109.2 | L145 M147 T342 L343 L415 | L145-L338 HydrophobicContact CB-CB 4.14Å; L145-L338 HydrophobicContact CB-CD2 4.34Å; L145-L338 HydrophobicContact CD1-CD2 4.14Å; L145-L338 WeakPolarHBondContact O-CB 3.39Å; L145-L338 PolarHBondContact O-N 3.09Å; M147-L338 HydrophobicContact CG-CB 3.81Å; L338-T342 HydrophobicContact CD1-CG2 3.51Å; L338-L343 HydrophobicContact CD2-CB 4.32Å; L338-L343 HydrophobicContact CG-CB 4.48Å; L338-L415 HydrophobicContact CD1-CD2 4.12Å; L338-L415 HydrophobicContact CD2-CD2 3.67Å |
| 339 | L | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.042 | C | C | . | . | trans | -85.1 | 155.9 | 179.5 | -60.6 | -179.7 | 0 | 0 | 0 | 111.2 | V7 L144 V337 S341 T342 L343 A489 | V7-L339 HydrophobicContact CG1-CD2 3.64Å; L144-L339 HydrophobicContact CD2-CD2 4.01Å; V337-L339 HydrophobicContact CG1-CD2 4.35Å; V337-L339 PolarHBondContact O-N 3.01Å; L339-S341 VanDerWaalsContact C-N 3.25Å; L339-S341 PolarHBondContact O-N 3.3Å; L339-T342 PolarHBondContact O-N 3.2Å; L339-L343 PolarHBondContact O-N 3.35Å; L339-L343 VanDerWaalsContact O-N 3.17Å; L339-A489 HydrophobicContact CD2-CB 3.89Å | ||
| 340 | P | 94.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.013 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -52 | -42.6 | 176.1 | -28.4 | 34.6 | 0 | 0 | 0 | 113.2 | H8 S11 M103 L142 L343 Y344 | H8-P340 HydrophobicContact CB-CG 4.42Å; H8-P340 VanDerWaalsContact ND1-CG 3.31Å; H8-P340 WeakPolarHBondContact ND1-CG 3.41Å; S11-P340 WeakPolarHBondContact OG-CD 3.48Å; M103-P340 HydrophobicContact CE-CB 4.06Å; M103-P340 HydrophobicContact CE-CG 4.44Å; L142-P340 HydrophobicContact CB-CB 4.07Å; L142-P340 HydrophobicContact CB-CG 4.28Å; L142-P340 HydrophobicContact CD1-CB 4.08Å; P340-L343 PolarHBondContact O-N 3.19Å; P340-Y344 WeakPolarHBondContact O-CB 3.48Å; P340-Y344 PolarHBondContact O-N 2.95Å |
| 341 | S | 90.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.007 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | -179.6 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | S11 L339 L343 Y344 L345 | S11-S341 VanDerWaalsContact C-CB 3.4Å; S11-S341 VanDerWaalsContact CB-OG 3.32Å; S11-S341 WeakPolarHBondContact CB-OG 3.48Å; S11-S341 WeakPolarHBondContact O-CB 3.4Å; S11-S341 PolarHBondContact O-OG 3.27Å; S11-S341 VanDerWaalsContact O-OG 3.04Å; L339-S341 VanDerWaalsContact C-N 3.25Å; L339-S341 PolarHBondContact O-N 3.3Å; S341-L343 VanDerWaalsContact C-N 3.32Å; S341-L343 PolarHBondContact O-N 3.07Å; S341-Y344 WeakPolarHBondContact O-CB 3.36Å; S341-Y344 PolarHBondContact O-N 2.68Å; S341-Y344 VanDerWaalsContact O-N 3.16Å; S341-L345 WeakPolarHBondContact O-CB 3.45Å; S341-L345 WeakPolarHBondContact O-CG 3.27Å; S341-L345 PolarHBondContact O-N 3.04Å |
| 342 | T | 93 | Very high | 93.6 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 3% | 0.025 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -57.6 | -48.1 | 175 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | E182 L338 L339 Y344 L345 Q346 | E182-T342 HydrophobicContact CB-CG2 3.99Å; E182-T342 HydrophobicContact CG-CG2 4.05Å; E182-T342 VanDerWaalsContact OE2-CG2 3.24Å; E182-T342 WeakPolarHBondContact OE2-CG2 3.28Å; L338-T342 HydrophobicContact CD1-CG2 3.51Å; L339-T342 PolarHBondContact O-N 3.2Å; T342-Y344 PolarHBondContact O-N 2.94Å; T342-L345 PolarHBondContact O-N 3.25Å; T342-Q346 WeakPolarHBondContact O-CB 3.48Å; T342-Q346 VanDerWaalsContact O-CG 3.27Å; T342-Q346 WeakPolarHBondContact O-CG 3.13Å; T342-Q346 PolarHBondContact O-N 2.88Å |
| 343 | L | 93.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.3 | 177 | 63.4 | 0 | 0 | 0 | 111.4 | L142 L338 L339 P340 S341 L345 Q346 V347 M397 L403 L415 L422 | L142-L343 HydrophobicContact CD2-CD2 4.48Å; L338-L343 HydrophobicContact CD2-CB 4.32Å; L338-L343 HydrophobicContact CG-CB 4.48Å; L339-L343 PolarHBondContact O-N 3.35Å; L339-L343 VanDerWaalsContact O-N 3.17Å; P340-L343 PolarHBondContact O-N 3.19Å; S341-L343 VanDerWaalsContact C-N 3.32Å; S341-L343 PolarHBondContact O-N 3.07Å; L343-L345 PolarHBondContact O-N 3.23Å; L343-Q346 PolarHBondContact O-N 3.19Å; L343-V347 HydrophobicContact CD1-CG2 4.02Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 3.05Å; L343-M397 HydrophobicContact CD1-SD 4.38Å; L343-M397 HydrophobicContact CD2-SD 4.15Å; L343-M397 HydrophobicContact CG-SD 4.04Å; L343-L403 HydrophobicContact CD1-CD2 4.4Å; L343-L415 HydrophobicContact CD1-CD1 3.88Å; L343-L422 HydrophobicContact CD1-CD1 4.18Å; L343-L422 HydrophobicContact CD2-CB 4.15Å; L343-L422 HydrophobicContact CD2-CD1 4.15Å |
| 344 | Y | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.6 | -133.9 | -107.5 | 0 | 0 | 0 | 112 | F12 F15 L100 P101 F133 L142 P340 S341 T342 L348 M394 M397 V398 | F12-Y344 HydrophobicContact CE2-CD1 4.3Å; F12-Y344 HydrophobicContact CE2-CE1 4.22Å; F15-Y344 HydrophobicContact CD1-CD1 4.35Å; F15-Y344 HydrophobicContact CD2-CD1 4.4Å; F15-Y344 AromaticContact CE1-CD1 3.89Å; F15-Y344 HydrophobicContact CE1-CD1 3.89Å; F15-Y344 HydrophobicContact CE1-CE1 4.19Å; F15-Y344 AromaticContact CE2-CD1 3.93Å; F15-Y344 HydrophobicContact CE2-CD1 3.93Å; F15-Y344 AromaticContact CZ-CD1 3.67Å; F15-Y344 HydrophobicContact CZ-CD1 3.67Å; F15-Y344 HydrophobicContact CZ-CE1 4.12Å; L100-Y344 HydrophobicContact CD1-CE1 3.73Å; L100-Y344 HydrophobicContact CD2-CE1 3.96Å; L100-Y344 HydrophobicContact CG-CE1 3.88Å; P101-Y344 WeakPolarHBondContact CD-OH 3.47Å; P101-Y344 PolarHBondContact O-OH 2.72Å; P101-Y344 VanDerWaalsContact O-OH 3.1Å; F133-Y344 HydrophobicContact CE1-CE2 4.24Å; F133-Y344 HydrophobicContact CZ-CE2 4.17Å; L142-Y344 HydrophobicContact CD1-CD2 4Å; L142-Y344 HydrophobicContact CD1-CE2 4.38Å; P340-Y344 WeakPolarHBondContact O-CB 3.48Å; P340-Y344 PolarHBondContact O-N 2.95Å; S341-Y344 WeakPolarHBondContact O-CB 3.36Å; S341-Y344 PolarHBondContact O-N 2.68Å; S341-Y344 VanDerWaalsContact O-N 3.16Å; T342-Y344 PolarHBondContact O-N 2.94Å; Y344-L348 WeakPolarHBondContact O-CB 3.46Å; Y344-L348 PolarHBondContact O-N 2.7Å; Y344-M394 HydrophobicContact CD1-CE 3.39Å; Y344-M394 HydrophobicContact CD2-CE 3.57Å; Y344-M394 HydrophobicContact CE1-CE 3.39Å; Y344-M394 HydrophobicContact CE2-CE 3.58Å; Y344-M394 HydrophobicContact CG-CE 3.47Å; Y344-M394 VanDerWaalsContact CG-CE 3.47Å; Y344-M394 VanDerWaalsContact CZ-CE 3.47Å; Y344-M397 HydrophobicContact CD2-CE 3.73Å; Y344-M397 HydrophobicContact CE2-CE 3.87Å; Y344-V398 HydrophobicContact CE2-CG2 3.97Å |
| 345 | L | 94.2 | Very high | 93 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 176.7 | -76.9 | 169.6 | 0 | 0 | 0 | 111.8 | F14 F15 L23 E182 S341 T342 L343 V347 L348 R349 | F14-L345 HydrophobicContact CE1-CD1 4.16Å; F15-L345 HydrophobicContact CD2-CD2 3.52Å; F15-L345 HydrophobicContact CD2-CG 3.75Å; F15-L345 HydrophobicContact CE2-CD2 3.89Å; F15-L345 HydrophobicContact CE2-CG 4.4Å; L23-L345 HydrophobicContact CB-CD2 4.3Å; L23-L345 HydrophobicContact CD1-CD2 3.95Å; L23-L345 WeakPolarHBondContact CD1-O 3.42Å; E182-L345 HydrophobicContact CB-CD1 4.42Å; E182-L345 HydrophobicContact CG-CD1 4.15Å; S341-L345 WeakPolarHBondContact O-CB 3.45Å; S341-L345 WeakPolarHBondContact O-CG 3.27Å; S341-L345 PolarHBondContact O-N 3.04Å; T342-L345 PolarHBondContact O-N 3.25Å; L343-L345 PolarHBondContact O-N 3.23Å; L345-V347 PolarHBondContact O-N 3.19Å; L345-L348 PolarHBondContact O-N 3.28Å; L345-R349 VanDerWaalsContact O-CB 3.32Å; L345-R349 WeakPolarHBondContact O-CB 3Å; L345-R349 PolarHBondContact O-N 2.62Å |
| 346 | Q | 92.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | -178.3 | -73.4 | 171.7 | -2.4 | 0 | 0 | 112.1 | E182 T342 L343 A350 L411 | E182-Q346 WeakPolarHBondContact O-CG 3.5Å; E182-Q346 PolarHBondContact O-NE2 2.83Å; T342-Q346 WeakPolarHBondContact O-CB 3.48Å; T342-Q346 VanDerWaalsContact O-CG 3.27Å; T342-Q346 WeakPolarHBondContact O-CG 3.13Å; T342-Q346 PolarHBondContact O-N 2.88Å; L343-Q346 PolarHBondContact O-N 3.19Å; Q346-A350 WeakPolarHBondContact O-CB 3.42Å; Q346-A350 PolarHBondContact O-N 2.91Å; Q346-L411 HydrophobicContact CB-CD2 4.21Å |
| 347 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -71.1 | -41.5 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L343 L345 A350 K351 M394 M397 L403 P404 L411 | L343-V347 HydrophobicContact CD1-CG2 4.02Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 3.05Å; L345-V347 PolarHBondContact O-N 3.19Å; V347-A350 PolarHBondContact O-N 3.41Å; V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 WeakPolarHBondContact O-CG 3.48Å; V347-K351 PolarHBondContact O-N 3.3Å; V347-M394 HydrophobicContact CB-CE 4.49Å; V347-M394 HydrophobicContact CB-SD 4.01Å; V347-M394 HydrophobicContact CG1-SD 3.55Å; V347-M394 VanDerWaalsContact CG1-SD 3.55Å; V347-M397 HydrophobicContact CB-SD 4.14Å; V347-M397 HydrophobicContact CG1-SD 4.16Å; V347-M397 HydrophobicContact CG2-SD 3.66Å; V347-L403 HydrophobicContact CG2-CD2 3.99Å; V347-P404 HydrophobicContact CG1-CG 3.94Å; V347-L411 HydrophobicContact CB-CD1 4.33Å; V347-L411 HydrophobicContact CG2-CD1 3.65Å |
| 348 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 175.4 | -176.9 | 63.2 | 0 | 0 | 0 | 111 | F15 L20 L77 Y344 L345 A350 K351 V352 V390 M394 | F15-L348 HydrophobicContact CE2-CD2 3.91Å; F15-L348 HydrophobicContact CZ-CD2 4.11Å; L20-L348 HydrophobicContact CD2-CD2 3.58Å; L77-L348 HydrophobicContact CD2-CD1 4.24Å; Y344-L348 WeakPolarHBondContact O-CB 3.46Å; Y344-L348 PolarHBondContact O-N 2.7Å; L345-L348 PolarHBondContact O-N 3.28Å; L348-A350 PolarHBondContact O-N 2.98Å; L348-K351 PolarHBondContact O-N 3.19Å; L348-V352 HydrophobicContact CD1-CG2 4.14Å; L348-V352 HydrophobicContact CG-CG2 4.31Å; L348-V352 WeakPolarHBondContact O-CB 3.47Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 3.33Å; L348-V390 HydrophobicContact CD1-CG1 3.61Å; L348-M394 HydrophobicContact CB-CE 4.44Å; L348-M394 HydrophobicContact CB-SD 4.44Å |
| 349 | R | 93.1 | Very high | 92 | Very high | 30 Ų | 30 | 13.6 Ų | 13.6 | 11% | 0.113 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.3 | -52.4 | 176 | -177.4 | -178 | 173.1 | 88.4 | 8.7 | 111.2 | L23 H26 D181 T183 L345 K351 V352 L353 | L23-R349 HydrophobicContact CD1-CB 3.69Å; L23-R349 HydrophobicContact CD1-CG 4.49Å; L23-R349 HydrophobicContact CG-CB 4.35Å; H26-R349 PolarHBondContact O-NH1 2.8Å; H26-R349 PolarHBondContact O-NH2 3.48Å; D181-R349 IonicContact OD2-CZ 2.99Å; D181-R349 IonicContact OD2-NH1 2.82Å; D181-R349 PolarHBondContact OD2-NH1 2.95Å; T183-R349 VanDerWaalsContact OG1-CD 3.31Å; T183-R349 WeakPolarHBondContact OG1-CD 3.22Å; T183-R349 PolarHBondContact OG1-NE 3.42Å; L345-R349 VanDerWaalsContact O-CB 3.32Å; L345-R349 WeakPolarHBondContact O-CB 3Å; L345-R349 PolarHBondContact O-N 2.62Å; R349-K351 VanDerWaalsContact C-N 3.26Å; R349-K351 PolarHBondContact O-N 3.11Å; R349-V352 PolarHBondContact O-N 2.82Å; R349-L353 HydrophobicContact CG-CD1 4.2Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 3.47Å |
| 350 | A | 91.2 | Very high | 91.6 | Very high | 22 Ų | 22 | 16.1 Ų | 16.1 | 18% | 0.182 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q346 V347 L348 H354 C407 L411 | Q346-A350 WeakPolarHBondContact O-CB 3.42Å; Q346-A350 PolarHBondContact O-N 2.91Å; V347-A350 PolarHBondContact O-N 3.41Å; L348-A350 PolarHBondContact O-N 2.98Å; A350-H354 WeakPolarHBondContact O-CB 3.37Å; A350-H354 PolarHBondContact O-N 2.87Å; A350-C407 HydrophobicContact CB-CB 3.79Å; A350-L411 HydrophobicContact CB-CD1 4.09Å; A350-L411 HydrophobicContact CB-CD2 4.38Å; A350-L411 HydrophobicContact CB-CG 4.35Å |
| 351 | K | 92.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 10% | 0.096 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -75.6 | -36.1 | 179.2 | -78.1 | -72.2 | 177.5 | 166 | 0 | 113.7 | V347 L348 R349 H354 L355 V390 A393 S406 | V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 WeakPolarHBondContact O-CG 3.48Å; V347-K351 PolarHBondContact O-N 3.3Å; L348-K351 PolarHBondContact O-N 3.19Å; R349-K351 VanDerWaalsContact C-N 3.26Å; R349-K351 PolarHBondContact O-N 3.11Å; K351-H354 PolarHBondContact O-N 3.06Å; K351-L355 WeakPolarHBondContact O-CB 3.24Å; K351-L355 PolarHBondContact O-N 3.4Å; K351-V390 HydrophobicContact CB-CG1 4.26Å; K351-A393 HydrophobicContact CD-CB 3.6Å; K351-A393 HydrophobicContact CG-CB 3.77Å; K351-S406 WeakPolarHBondContact CE-OG 3.39Å; K351-S406 PolarHBondContact NZ-OG 3.46Å |
| 352 | V | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 173.6 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | L27 I43 I46 L348 R349 H354 L355 L356 V390 | L27-V352 HydrophobicContact CD1-CG1 4.08Å; L27-V352 HydrophobicContact CD2-CG1 4.18Å; I43-V352 HydrophobicContact CD1-CB 4.46Å; I43-V352 HydrophobicContact CD1-CG1 2.98Å; I43-V352 HydrophobicContact CG1-CG1 4.49Å; I46-V352 HydrophobicContact CD1-CG2 4.41Å; L348-V352 HydrophobicContact CD1-CG2 4.14Å; L348-V352 HydrophobicContact CG-CG2 4.31Å; L348-V352 WeakPolarHBondContact O-CB 3.47Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.38Å; L348-V352 PolarHBondContact O-N 3.33Å; R349-V352 PolarHBondContact O-N 2.82Å; V352-H354 VanDerWaalsContact C-N 3.33Å; V352-H354 PolarHBondContact O-N 3.5Å; V352-L355 WeakPolarHBondContact O-CB 3.21Å; V352-L355 PolarHBondContact O-N 3.5Å; V352-L356 WeakPolarHBondContact O-CG 3.48Å; V352-L356 PolarHBondContact O-N 3.16Å; V352-V390 HydrophobicContact CG2-CG1 4.36Å |
| 353 | L | 89.4 | Confident | 90.9 | Very high | 66 Ų | 66 | 23 Ų | 23 | 35% | 0.346 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.1 | -72.8 | 172.7 | 0 | 0 | 0 | 112.1 | L27 R349 L355 L356 A357 | L27-L353 HydrophobicContact CD2-CD2 3.55Å; L27-L353 HydrophobicContact CD2-CG 3.77Å; R349-L353 HydrophobicContact CG-CD1 4.2Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 3.47Å; L353-L355 PolarHBondContact O-N 3.4Å; L353-L356 PolarHBondContact O-N 3.01Å; L353-A357 PolarHBondContact O-N 3.19Å |
| 354 | H | 89.4 | Confident | 90.6 | Very high | 60 Ų | 60 | 24 Ų | 24 | 28% | 0.278 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 176.1 | -172.9 | 61.4 | 0 | 0 | 0 | 112.6 | A350 K351 V352 A357 N358 | A350-H354 WeakPolarHBondContact O-CB 3.37Å; A350-H354 PolarHBondContact O-N 2.87Å; K351-H354 PolarHBondContact O-N 3.06Å; V352-H354 VanDerWaalsContact C-N 3.33Å; V352-H354 PolarHBondContact O-N 3.5Å; H354-A357 PolarHBondContact O-N 2.87Å; H354-N358 PolarHBondContact CD2-ND2 2.64Å; H354-N358 PolarHBondContact NE2-ND2 2.98Å; H354-N358 WeakPolarHBondContact O-CB 3.44Å; H354-N358 VanDerWaalsContact O-CG 3.26Å; H354-N358 PolarHBondContact O-N 2.93Å |
| 355 | L | 91 | Very high | 90.2 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.2 | 174 | 66 | 0 | 0 | 0 | 110.9 | L79 K351 V352 L353 A357 N358 V359 R386 V390 | L79-L355 HydrophobicContact CD1-CD2 3.83Å; K351-L355 WeakPolarHBondContact O-CB 3.24Å; K351-L355 PolarHBondContact O-N 3.4Å; V352-L355 WeakPolarHBondContact O-CB 3.21Å; V352-L355 PolarHBondContact O-N 3.5Å; L353-L355 PolarHBondContact O-N 3.4Å; L355-A357 PolarHBondContact O-N 3.43Å; L355-N358 PolarHBondContact O-N 3.16Å; L355-V359 HydrophobicContact CD1-CG2 4.1Å; L355-V359 HydrophobicContact CG-CG2 4.46Å; L355-V359 WeakPolarHBondContact O-CB 3.34Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.15Å; L355-V359 PolarHBondContact O-N 3.37Å; L355-R386 HydrophobicContact CD1-CB 3.61Å; L355-V390 HydrophobicContact CB-CG2 4.17Å; L355-V390 HydrophobicContact CD2-CG2 3.89Å |
| 356 | L | 89.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 179.2 | -65.5 | 177.2 | 0 | 0 | 0 | 111.6 | L30 F41 I43 V352 L353 N358 V359 K360 | L30-L356 HydrophobicContact CD2-CB 3.96Å; L30-L356 VanDerWaalsContact CD2-O 3.29Å; L30-L356 WeakPolarHBondContact CD2-O 3.34Å; F41-L356 HydrophobicContact CD1-CD2 4.05Å; I43-L356 HydrophobicContact CD1-CD1 3.93Å; I43-L356 HydrophobicContact CD1-CD2 4.36Å; I43-L356 HydrophobicContact CD1-CG 4.34Å; I43-L356 HydrophobicContact CG1-CD1 4.23Å; I43-L356 HydrophobicContact CG1-CD2 4.37Å; V352-L356 WeakPolarHBondContact O-CG 3.48Å; V352-L356 PolarHBondContact O-N 3.16Å; L353-L356 PolarHBondContact O-N 3.01Å; L356-N358 PolarHBondContact O-N 3.27Å; L356-V359 PolarHBondContact O-N 3.1Å; L356-K360 PolarHBondContact O-N 2.83Å |
| 357 | A | 88.2 | Confident | 89.1 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.4 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L353 H354 L355 V359 K360 E361 | L353-A357 PolarHBondContact O-N 3.19Å; H354-A357 PolarHBondContact O-N 2.87Å; L355-A357 PolarHBondContact O-N 3.43Å; A357-V359 PolarHBondContact O-N 3.01Å; A357-K360 WeakPolarHBondContact O-CB 3.13Å; A357-K360 PolarHBondContact O-N 3.29Å; A357-E361 PolarHBondContact O-N 3.06Å |
| 358 | N | 90.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 178 | -77.1 | -11.5 | 0 | 0 | 0 | 112.7 | H354 L355 L356 E361 Q362 R386 | H354-N358 PolarHBondContact CD2-ND2 2.64Å; H354-N358 PolarHBondContact NE2-ND2 2.98Å; H354-N358 WeakPolarHBondContact O-CB 3.44Å; H354-N358 VanDerWaalsContact O-CG 3.26Å; H354-N358 PolarHBondContact O-N 2.93Å; L355-N358 PolarHBondContact O-N 3.16Å; L356-N358 PolarHBondContact O-N 3.27Å; N358-E361 PolarHBondContact O-N 3.37Å; N358-Q362 WeakPolarHBondContact O-CB 3.33Å; N358-Q362 PolarHBondContact O-N 2.94Å; N358-R386 PolarHBondContact ND2-NH1 2.98Å |
| 359 | V | 89.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 176.5 | 167.8 | 0 | 0 | 0 | 0 | 110.5 | F41 L355 L356 A357 E361 Q362 V363 F379 A382 L383 | F41-V359 HydrophobicContact CE1-CG1 4.27Å; L355-V359 HydrophobicContact CD1-CG2 4.1Å; L355-V359 HydrophobicContact CG-CG2 4.46Å; L355-V359 WeakPolarHBondContact O-CB 3.34Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.15Å; L355-V359 PolarHBondContact O-N 3.37Å; L356-V359 PolarHBondContact O-N 3.1Å; A357-V359 PolarHBondContact O-N 3.01Å; V359-E361 PolarHBondContact O-N 3.38Å; V359-Q362 PolarHBondContact O-N 3.45Å; V359-V363 HydrophobicContact CG1-CG2 4.25Å; V359-V363 WeakPolarHBondContact O-CB 3.39Å; V359-V363 WeakPolarHBondContact O-CG2 3.4Å; V359-V363 PolarHBondContact O-N 3.07Å; V359-F379 HydrophobicContact CG1-CD1 4.19Å; V359-A382 HydrophobicContact CG1-CB 3.99Å; V359-L383 HydrophobicContact CG1-CD2 4.47Å; V359-L383 HydrophobicContact CG1-CG 4.26Å; V359-L383 HydrophobicContact CG2-CD2 3.89Å; V359-L383 HydrophobicContact CG2-CG 4.21Å |
| 360 | K | 88.3 | Confident | 86.7 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.5 | -52 | 173.2 | 163.5 | -178 | 171.8 | 173.6 | 0 | 111.3 | L30 F32 L356 A357 Q362 V363 L364 | L30-K360 HydrophobicContact CD1-CD 4.27Å; L30-K360 HydrophobicContact CD2-CB 3.69Å; L30-K360 HydrophobicContact CD2-CD 3.84Å; L30-K360 HydrophobicContact CD2-CG 4.37Å; L30-K360 HydrophobicContact CG-CD 4.16Å; F32-K360 HydrophobicContact CB-CD 3.83Å; F32-K360 VanDerWaalsContact CB-CE 3.42Å; F32-K360 HydrophobicContact CB-CG 4.29Å; F32-K360 HydrophobicContact CD1-CB 4.05Å; F32-K360 HydrophobicContact CD1-CD 3.66Å; F32-K360 HydrophobicContact CD1-CG 3.63Å; F32-K360 HydrophobicContact CD2-CG 4.19Å; F32-K360 HydrophobicContact CE1-CB 3.88Å; F32-K360 HydrophobicContact CE1-CD 4.36Å; F32-K360 HydrophobicContact CE1-CG 3.9Å; F32-K360 HydrophobicContact CE2-CG 4.43Å; F32-K360 HydrophobicContact CG-CD 3.81Å; F32-K360 HydrophobicContact CG-CG 3.77Å; F32-K360 HydrophobicContact CZ-CB 4.34Å; F32-K360 HydrophobicContact CZ-CG 4.28Å; L356-K360 PolarHBondContact O-N 2.83Å; A357-K360 WeakPolarHBondContact O-CB 3.13Å; A357-K360 PolarHBondContact O-N 3.29Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 2.91Å; K360-V363 PolarHBondContact O-N 3.23Å; K360-L364 HydrophobicContact CG-CD1 3.81Å; K360-L364 WeakPolarHBondContact O-CB 3.37Å; K360-L364 WeakPolarHBondContact O-CG 3.23Å; K360-L364 PolarHBondContact O-N 2.72Å |
| 361 | E | 88.3 | Confident | 85.6 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 179.9 | -74.2 | -175.9 | 175 | 0 | 0 | 112 | A357 N358 V359 V363 L364 L365 | A357-E361 PolarHBondContact O-N 3.06Å; N358-E361 PolarHBondContact O-N 3.37Å; V359-E361 PolarHBondContact O-N 3.38Å; E361-V363 PolarHBondContact O-N 3.42Å; E361-L364 PolarHBondContact O-N 3.13Å; E361-L365 VanDerWaalsContact O-CB 3.31Å; E361-L365 WeakPolarHBondContact O-CB 3.45Å; E361-L365 WeakPolarHBondContact O-CD1 3.25Å; E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.27Å |
| 362 | Q | 88.4 | Confident | 84.6 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | -179.4 | -174.4 | 172.1 | -17.7 | 0 | 0 | 112.5 | N358 V359 K360 K366 A382 S385 | N358-Q362 WeakPolarHBondContact O-CB 3.33Å; N358-Q362 PolarHBondContact O-N 2.94Å; V359-Q362 PolarHBondContact O-N 3.45Å; K360-Q362 VanDerWaalsContact C-N 3.34Å; K360-Q362 PolarHBondContact O-N 2.91Å; Q362-K366 PolarHBondContact O-N 3.27Å; Q362-A382 HydrophobicContact CG-CB 4.44Å; Q362-S385 PolarHBondContact NE2-OG 2.92Å; Q362-S385 VanDerWaalsContact NE2-OG 3.11Å |
| 363 | V | 86.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 177.6 | 170 | 0 | 0 | 0 | 0 | 110.7 | V359 K360 E361 L365 K366 S367 L378 F379 A382 | V359-V363 HydrophobicContact CG1-CG2 4.25Å; V359-V363 WeakPolarHBondContact O-CB 3.39Å; V359-V363 WeakPolarHBondContact O-CG2 3.4Å; V359-V363 PolarHBondContact O-N 3.07Å; K360-V363 PolarHBondContact O-N 3.23Å; E361-V363 PolarHBondContact O-N 3.42Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 2.87Å; V363-K366 PolarHBondContact O-N 3.36Å; V363-S367 WeakPolarHBondContact O-CB 3.45Å; V363-S367 PolarHBondContact O-N 3.06Å; V363-L378 HydrophobicContact CG1-CD2 3.86Å; V363-L378 HydrophobicContact CG1-CG 4.47Å; V363-F379 HydrophobicContact CB-CD1 4.31Å; V363-F379 HydrophobicContact CB-CE1 3.83Å; V363-F379 HydrophobicContact CB-CZ 4.45Å; V363-F379 HydrophobicContact CG1-CD1 4.24Å; V363-F379 HydrophobicContact CG1-CE1 3.56Å; V363-F379 HydrophobicContact CG1-CZ 3.7Å; V363-F379 HydrophobicContact CG2-CD1 3.44Å; V363-F379 VanDerWaalsContact CG2-CD1 3.44Å; V363-F379 HydrophobicContact CG2-CE1 3.46Å; V363-F379 VanDerWaalsContact CG2-CE1 3.46Å; V363-F379 HydrophobicContact CG2-CG 4.38Å; V363-F379 HydrophobicContact CG2-CZ 4.4Å; V363-A382 HydrophobicContact CG2-CB 3.86Å |
| 364 | L | 86.1 | Confident | 83.2 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176 | -75.2 | 171.8 | 0 | 0 | 0 | 112 | F32 K360 E361 R368 | F32-L364 HydrophobicContact CD2-CD1 4.01Å; F32-L364 HydrophobicContact CD2-CD2 3.86Å; F32-L364 HydrophobicContact CD2-CG 3.97Å; F32-L364 HydrophobicContact CE2-CD1 4.46Å; F32-L364 HydrophobicContact CE2-CD2 4.02Å; F32-L364 HydrophobicContact CE2-CG 4Å; K360-L364 HydrophobicContact CG-CD1 3.81Å; K360-L364 WeakPolarHBondContact O-CB 3.37Å; K360-L364 WeakPolarHBondContact O-CG 3.23Å; K360-L364 PolarHBondContact O-N 2.72Å; E361-L364 PolarHBondContact O-N 3.13Å; L364-R368 WeakPolarHBondContact O-CB 3.47Å; L364-R368 VanDerWaalsContact O-CG 3.27Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.28Å |
| 365 | L | 86.3 | Confident | 82.8 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.4 | -85.7 | 158 | 0 | 0 | 0 | 112.1 | E361 V363 K369 | E361-L365 VanDerWaalsContact O-CB 3.31Å; E361-L365 WeakPolarHBondContact O-CB 3.45Å; E361-L365 WeakPolarHBondContact O-CD1 3.25Å; E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.27Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 2.87Å; L365-K369 VanDerWaalsContact O-CB 3.32Å; L365-K369 WeakPolarHBondContact O-CB 3.22Å; L365-K369 WeakPolarHBondContact O-CG 3.5Å; L365-K369 PolarHBondContact O-N 3.07Å |
| 366 | K | 83.4 | Confident | 82.5 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 22% | 0.222 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 177.9 | -80.2 | -172.8 | 174 | -176.9 | 0 | 112 | Q362 V363 R368 K369 Q370 L378 | Q362-K366 PolarHBondContact O-N 3.27Å; V363-K366 PolarHBondContact O-N 3.36Å; K366-R368 VanDerWaalsContact C-N 3.34Å; K366-R368 PolarHBondContact O-N 3.28Å; K366-K369 PolarHBondContact O-N 2.92Å; K366-Q370 WeakPolarHBondContact O-CB 3.41Å; K366-Q370 PolarHBondContact O-N 3.08Å; K366-L378 HydrophobicContact CB-CD1 4.17Å; K366-L378 HydrophobicContact CD-CD1 3.66Å |
| 367 | S | 80.3 | Confident | 82.3 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 178.3 | -175 | 0 | 0 | 0 | 0 | 111 | V363 N371 V372 | V363-S367 WeakPolarHBondContact O-CB 3.45Å; V363-S367 PolarHBondContact O-N 3.06Å; S367-N371 VanDerWaalsContact O-CA 3.31Å; S367-N371 WeakPolarHBondContact O-CA 3.44Å; S367-N371 PolarHBondContact O-N 3.38Å; S367-V372 PolarHBondContact OG-O 2.66Å |
| 368 | R | 79.7 | Confident | 82.2 | Confident | 196 Ų | 196 | 73.8 Ų | 73.8 | 74% | 0.74 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.8 | -42.1 | 177.2 | -71.4 | 177.1 | -176.6 | -176.5 | 1.2 | 113.8 | L364 K366 | L364-R368 WeakPolarHBondContact O-CB 3.47Å; L364-R368 VanDerWaalsContact O-CG 3.27Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.28Å; K366-R368 VanDerWaalsContact C-N 3.34Å; K366-R368 PolarHBondContact O-N 3.28Å |
| 369 | K | 79.7 | Confident | 81.9 | Confident | 174 Ų | 174 | 73 Ų | 73 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -77.3 | -34.3 | -176.4 | -75.5 | -173.3 | 177.4 | -173.1 | 0 | 113.6 | L365 K366 | L365-K369 VanDerWaalsContact O-CB 3.32Å; L365-K369 WeakPolarHBondContact O-CB 3.22Å; L365-K369 WeakPolarHBondContact O-CG 3.5Å; L365-K369 PolarHBondContact O-N 3.07Å; K366-K369 PolarHBondContact O-N 2.92Å |
| 370 | Q | 70.9 | Confident | 81.9 | Confident | 127 Ų | 127 | 76.2 Ų | 76.2 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -109.4 | -0.8 | -171.3 | -60.7 | -179.3 | -23.9 | 0 | 0 | 113.1 | K366 V372 | K366-Q370 WeakPolarHBondContact O-CB 3.41Å; K366-Q370 PolarHBondContact O-N 3.08Å; Q370-V372 HydrophobicContact CB-CG2 3.64Å; Q370-V372 PolarHBondContact O-N 3.28Å; Q370-V372 VanDerWaalsContact O-N 3.11Å |
| 371 | N | 69.8 | Low | 81.9 | Confident | 155 Ų | 155 | 78.9 Ų | 78.9 | 83% | 0.829 | 38% | 0.377 | S | S | * | . | trans | 52.2 | 30.1 | -175.6 | -110.2 | 3.7 | 0 | 0 | 0 | 113.5 | S367 | S367-N371 VanDerWaalsContact O-CA 3.31Å; S367-N371 WeakPolarHBondContact O-CA 3.44Å; S367-N371 PolarHBondContact O-N 3.38Å | ||
| 372 | V | 70.1 | Confident | 81.9 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 35% | 0.345 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 128.9 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | S367 Q370 | S367-V372 PolarHBondContact OG-O 2.66Å; Q370-V372 HydrophobicContact CB-CG2 3.64Å; Q370-V372 PolarHBondContact O-N 3.28Å; Q370-V372 VanDerWaalsContact O-N 3.11Å |
| 373 | R | 73 | Confident | 81.9 | Confident | 223 Ų | 223 | 71.8 Ų | 71.8 | 84% | 0.842 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 140.8 | 171.4 | -105 | -175.6 | 176.2 | 172.5 | -0.3 | 110.4 | S375 | R373-S375 PolarHBondContact O-N 2.87Š|
| 374 | I | 78.3 | Confident | 82 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 125.1 | 176.1 | -61.6 | 169.3 | 0 | 0 | 0 | 108.7 | S34 D37 V39 V85 F379 | S34-I374 VanDerWaalsContact OG-CD1 3.27Å; S34-I374 WeakPolarHBondContact OG-CD1 3.46Å; D37-I374 HydrophobicContact CB-CD1 4.3Å; V39-I374 HydrophobicContact CG2-CD1 3.45Å; V39-I374 VanDerWaalsContact CG2-CD1 3.45Å; V39-I374 HydrophobicContact CG2-CG2 4.3Å; V85-I374 HydrophobicContact CG2-CG2 4.38Å; I374-F379 HydrophobicContact CG2-CD2 4.22Å; I374-F379 HydrophobicContact CG2-CE2 3.32Å; I374-F379 HydrophobicContact CG2-CZ 3.97Å |
| 375 | S | 82.1 | Confident | 82.2 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | trans | -140.8 | 156.3 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | R373 S377 L378 F379 | R373-S375 PolarHBondContact O-N 2.87Å; S375-S377 PolarHBondContact O-N 3.07Å; S375-S377 PolarHBondContact OG-OG 2.86Å; S375-L378 PolarHBondContact O-N 2.93Å; S375-F379 WeakPolarHBondContact O-CD2 3.13Å; S375-F379 PolarHBondContact O-N 3.13Å | ||
| 376 | L | 84 | Confident | 82.3 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59 | -35.3 | 179.2 | -159.3 | 69 | 0 | 0 | 0 | 112.1 | V83 L90 L93 F379 H380 | V83-L376 HydrophobicContact CB-CD1 4.11Å; V83-L376 HydrophobicContact CG2-CD1 4.17Å; L90-L376 HydrophobicContact CD2-CB 3.73Å; L90-L376 HydrophobicContact CD2-CD1 4.19Å; L93-L376 HydrophobicContact CD1-CD1 3.84Å; L93-L376 HydrophobicContact CD1-CG 4.06Å; L93-L376 HydrophobicContact CD2-CD1 4.23Å; L93-L376 HydrophobicContact CD2-CD2 3.93Å; L93-L376 HydrophobicContact CD2-CG 3.77Å; L93-L376 HydrophobicContact CG-CD1 3.87Å; L93-L376 HydrophobicContact CG-CD2 4.41Å; L93-L376 HydrophobicContact CG-CG 3.99Å; L376-F379 PolarHBondContact O-N 3.01Å; L376-H380 WeakPolarHBondContact O-CB 3.49Å; L376-H380 PolarHBondContact O-N 2.86Å |
| 377 | S | 85.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 58% | 0.58 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 179.6 | 55 | 0 | 0 | 0 | 0 | 112.9 | S375 F379 H380 Q381 | S375-S377 PolarHBondContact O-N 3.07Å; S375-S377 PolarHBondContact OG-OG 2.86Å; S377-F379 VanDerWaalsContact C-N 3.32Å; S377-F379 PolarHBondContact O-N 3.05Å; S377-H380 PolarHBondContact O-N 3.43Å; S377-Q381 WeakPolarHBondContact O-CB 3.43Å; S377-Q381 PolarHBondContact O-N 3.13Å |
| 378 | L | 85.8 | Confident | 83 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176 | -174.9 | 67.5 | 0 | 0 | 0 | 111 | V363 K366 S375 A382 | V363-L378 HydrophobicContact CG1-CD2 3.86Å; V363-L378 HydrophobicContact CG1-CG 4.47Å; K366-L378 HydrophobicContact CB-CD1 4.17Å; K366-L378 HydrophobicContact CD-CD1 3.66Å; S375-L378 PolarHBondContact O-N 2.93Å; L378-A382 WeakPolarHBondContact O-CB 3.25Å; L378-A382 PolarHBondContact O-N 3.11Å |
| 379 | F | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 175.7 | -76.8 | -62.8 | 0 | 0 | 0 | 112.8 | F32 V39 F41 V83 L93 V359 V363 I374 S375 L376 S377 Q381 A382 L383 | F32-F379 AromaticContact CZ-CE1 3.92Å; F32-F379 HydrophobicContact CZ-CE1 3.92Å; F32-F379 AromaticContact CZ-CZ 3.87Å; F32-F379 HydrophobicContact CZ-CZ 3.87Å; V39-F379 HydrophobicContact CG1-CE2 3.99Å; V39-F379 HydrophobicContact CG1-CZ 3.72Å; F41-F379 HydrophobicContact CD2-CE1 4.05Å; F41-F379 HydrophobicContact CD2-CZ 4.3Å; F41-F379 AromaticContact CE1-CD1 3.87Å; F41-F379 HydrophobicContact CE1-CD1 3.87Å; F41-F379 HydrophobicContact CE1-CE1 4.29Å; F41-F379 HydrophobicContact CE1-CG 4.38Å; F41-F379 AromaticContact CE2-CD1 3.32Å; F41-F379 HydrophobicContact CE2-CD1 3.32Å; F41-F379 AromaticContact CE2-CD2 3.97Å; F41-F379 HydrophobicContact CE2-CD2 3.97Å; F41-F379 AromaticContact CE2-CE1 3.04Å; F41-F379 HydrophobicContact CE2-CE1 3.04Å; F41-F379 AromaticContact CE2-CE2 3.72Å; F41-F379 HydrophobicContact CE2-CE2 3.72Å; F41-F379 AromaticContact CE2-CG 3.79Å; F41-F379 HydrophobicContact CE2-CG 3.79Å; F41-F379 AromaticContact CE2-CZ 3.3Å; F41-F379 HydrophobicContact CE2-CZ 3.3Å; F41-F379 HydrophobicContact CZ-CB 3.83Å; F41-F379 AromaticContact CZ-CD1 2.92Å; F41-F379 HydrophobicContact CZ-CD1 2.92Å; F41-F379 AromaticContact CZ-CD2 3.88Å; F41-F379 HydrophobicContact CZ-CD2 3.88Å; F41-F379 AromaticContact CZ-CE1 3.24Å; F41-F379 HydrophobicContact CZ-CE1 3.24Å; F41-F379 HydrophobicContact CZ-CE2 4.11Å; F41-F379 AromaticContact CZ-CG 3.29Å; F41-F379 HydrophobicContact CZ-CG 3.29Å; F41-F379 AromaticContact CZ-CZ 3.87Å; F41-F379 HydrophobicContact CZ-CZ 3.87Å; V83-F379 HydrophobicContact CG1-CD2 3.89Å; V83-F379 HydrophobicContact CG1-CE2 3.85Å; L93-F379 HydrophobicContact CD1-CB 4Å; V359-F379 HydrophobicContact CG1-CD1 4.19Å; V363-F379 HydrophobicContact CB-CD1 4.31Å; V363-F379 HydrophobicContact CB-CE1 3.83Å; V363-F379 HydrophobicContact CB-CZ 4.45Å; V363-F379 HydrophobicContact CG1-CD1 4.24Å; V363-F379 HydrophobicContact CG1-CE1 3.56Å; V363-F379 HydrophobicContact CG1-CZ 3.7Å; V363-F379 HydrophobicContact CG2-CD1 3.44Å; V363-F379 VanDerWaalsContact CG2-CD1 3.44Å; V363-F379 HydrophobicContact CG2-CE1 3.46Å; V363-F379 VanDerWaalsContact CG2-CE1 3.46Å; V363-F379 HydrophobicContact CG2-CG 4.38Å; V363-F379 HydrophobicContact CG2-CZ 4.4Å; I374-F379 HydrophobicContact CG2-CD2 4.22Å; I374-F379 HydrophobicContact CG2-CE2 3.32Å; I374-F379 HydrophobicContact CG2-CZ 3.97Å; S375-F379 WeakPolarHBondContact O-CD2 3.13Å; S375-F379 PolarHBondContact O-N 3.13Å; L376-F379 PolarHBondContact O-N 3.01Å; S377-F379 VanDerWaalsContact C-N 3.32Å; S377-F379 PolarHBondContact O-N 3.05Å; F379-Q381 VanDerWaalsContact C-N 3.29Å; F379-Q381 PolarHBondContact O-N 2.83Å; F379-A382 PolarHBondContact O-N 2.78Å; F379-L383 WeakPolarHBondContact O-CB 3.46Å; F379-L383 WeakPolarHBondContact O-CG 3.37Å; F379-L383 PolarHBondContact O-N 2.72Å |
| 380 | H | 88.3 | Confident | 84.2 | Confident | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.8 | -168.8 | -123.8 | 0 | 0 | 0 | 111.2 | L93 L376 S377 L383 L384 | L93-H380 HydrophobicContact CD1-CB 4.13Å; L93-H380 HydrophobicContact CD2-CB 3.92Å; L376-H380 WeakPolarHBondContact O-CB 3.49Å; L376-H380 PolarHBondContact O-N 2.86Å; S377-H380 PolarHBondContact O-N 3.43Å; H380-L383 PolarHBondContact O-N 2.85Å; H380-L384 WeakPolarHBondContact CE1-CD1 3.45Å; H380-L384 WeakPolarHBondContact O-CB 3.46Å; H380-L384 VanDerWaalsContact O-CG 3.32Å; H380-L384 WeakPolarHBondContact O-CG 3.3Å; H380-L384 PolarHBondContact O-N 3.37Å |
| 381 | Q | 88.7 | Confident | 85.2 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.3 | -166.7 | -171.2 | 27.9 | 0 | 0 | 112.2 | S377 F379 S385 | S377-Q381 WeakPolarHBondContact O-CB 3.43Å; S377-Q381 PolarHBondContact O-N 3.13Å; F379-Q381 VanDerWaalsContact C-N 3.29Å; F379-Q381 PolarHBondContact O-N 2.83Å; Q381-S385 WeakPolarHBondContact O-CB 3.47Å; Q381-S385 PolarHBondContact O-N 3.47Å; Q381-S385 VanDerWaalsContact O-N 3.08Å; Q381-S385 PolarHBondContact O-OG 3.16Å |
| 382 | A | 88.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V359 Q362 V363 L378 F379 S385 R386 | V359-A382 HydrophobicContact CG1-CB 3.99Å; Q362-A382 HydrophobicContact CG-CB 4.44Å; V363-A382 HydrophobicContact CG2-CB 3.86Å; L378-A382 WeakPolarHBondContact O-CB 3.25Å; L378-A382 PolarHBondContact O-N 3.11Å; F379-A382 PolarHBondContact O-N 2.78Å; A382-S385 PolarHBondContact O-N 2.9Å; A382-S385 PolarHBondContact O-OG 2.86Å; A382-R386 PolarHBondContact O-N 2.74Å |
| 383 | L | 88 | Confident | 87.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -52.5 | 175.8 | -77.9 | 163.1 | 0 | 0 | 0 | 111.3 | F41 V81 L93 V95 V359 F379 H380 S385 R386 A387 | F41-L383 HydrophobicContact CE1-CD1 4.27Å; V81-L383 HydrophobicContact CB-CD1 4.32Å; V81-L383 HydrophobicContact CG2-CD1 4.31Å; V81-L383 HydrophobicContact CG2-CD2 4.37Å; L93-L383 HydrophobicContact CB-CD1 4.45Å; L93-L383 HydrophobicContact CD1-CD1 4Å; V95-L383 HydrophobicContact CG1-CB 4.22Å; V95-L383 HydrophobicContact CG2-CB 3.94Å; V95-L383 HydrophobicContact CG2-CD1 4.04Å; V359-L383 HydrophobicContact CG1-CD2 4.47Å; V359-L383 HydrophobicContact CG1-CG 4.26Å; V359-L383 HydrophobicContact CG2-CD2 3.89Å; V359-L383 HydrophobicContact CG2-CG 4.21Å; F379-L383 WeakPolarHBondContact O-CB 3.46Å; F379-L383 WeakPolarHBondContact O-CG 3.37Å; F379-L383 PolarHBondContact O-N 2.72Å; H380-L383 PolarHBondContact O-N 2.85Å; L383-S385 PolarHBondContact O-N 3.21Å; L383-S385 VanDerWaalsContact O-N 3.16Å; L383-R386 PolarHBondContact O-N 2.83Å; L383-R386 VanDerWaalsContact O-N 3.08Å; L383-A387 WeakPolarHBondContact O-CB 3.43Å; L383-A387 PolarHBondContact O-N 3.28Å |
| 384 | L | 89.2 | Confident | 88.6 | Confident | 82 Ų | 82 | 36.6 Ų | 36.6 | 43% | 0.429 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.5 | -32.8 | 178.7 | -77 | 172.7 | 0 | 0 | 0 | 112.9 | V95 H380 R386 | V95-L384 HydrophobicContact CG1-CD2 4Å; V95-L384 HydrophobicContact CG1-CG 4.45Å; H380-L384 WeakPolarHBondContact CE1-CD1 3.45Å; H380-L384 WeakPolarHBondContact O-CB 3.46Å; H380-L384 VanDerWaalsContact O-CG 3.32Å; H380-L384 WeakPolarHBondContact O-CG 3.3Å; H380-L384 PolarHBondContact O-N 3.37Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3.33Å |
| 385 | S | 89.4 | Confident | 89.4 | Confident | 63 Ų | 63 | 36.6 Ų | 36.6 | 44% | 0.441 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -71.1 | -24.1 | -179.9 | 71.2 | 0 | 0 | 0 | 0 | 114.3 | Q362 Q381 A382 L383 | Q362-S385 PolarHBondContact NE2-OG 2.92Å; Q362-S385 VanDerWaalsContact NE2-OG 3.11Å; Q381-S385 WeakPolarHBondContact O-CB 3.47Å; Q381-S385 PolarHBondContact O-N 3.47Å; Q381-S385 VanDerWaalsContact O-N 3.08Å; Q381-S385 PolarHBondContact O-OG 3.16Å; A382-S385 PolarHBondContact O-N 2.9Å; A382-S385 PolarHBondContact O-OG 2.86Å; L383-S385 PolarHBondContact O-N 3.21Å; L383-S385 VanDerWaalsContact O-N 3.16Å |
| 386 | R | 88.8 | Confident | 90 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -123.8 | -11.6 | -174.7 | -63.6 | -162 | -174 | -145 | 6.9 | 115.1 | L355 N358 A382 L383 L384 S388 E389 | L355-R386 HydrophobicContact CD1-CB 3.61Å; N358-R386 PolarHBondContact ND2-NH1 2.98Å; A382-R386 PolarHBondContact O-N 2.74Å; L383-R386 PolarHBondContact O-N 2.83Å; L383-R386 VanDerWaalsContact O-N 3.08Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3.33Å; R386-S388 PolarHBondContact O-N 3.11Å; R386-S388 VanDerWaalsContact O-N 3.1Å; R386-E389 VanDerWaalsContact O-CB 3.23Å; R386-E389 WeakPolarHBondContact O-CB 3.48Å; R386-E389 VanDerWaalsContact O-CG 3.3Å; R386-E389 WeakPolarHBondContact O-CG 3.23Å; R386-E389 PolarHBondContact O-N 3.06Å |
| 387 | A | 88.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V95 C97 L383 E389 V390 | V95-A387 HydrophobicContact CG1-CB 3.62Å; C97-A387 HydrophobicContact CB-CB 4.46Å; C97-A387 WeakPolarHBondContact CB-O 3.48Å; L383-A387 WeakPolarHBondContact O-CB 3.43Å; L383-A387 PolarHBondContact O-N 3.28Å; A387-E389 PolarHBondContact O-N 3.35Å; A387-V390 PolarHBondContact O-N 3Å |
| 388 | S | 89.9 | Confident | 91 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.8 | -17.5 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | R386 V390 S391 T392 | R386-S388 PolarHBondContact O-N 3.11Å; R386-S388 VanDerWaalsContact O-N 3.1Å; S388-V390 PolarHBondContact O-N 3.06Å; S388-S391 PolarHBondContact O-OG 2.93Å; S388-S391 VanDerWaalsContact O-OG 3.13Å; S388-T392 VanDerWaalsContact O-CB 3.22Å; S388-T392 WeakPolarHBondContact O-CB 3.46Å; S388-T392 PolarHBondContact O-N 3.04Å; S388-T392 PolarHBondContact O-OG1 3.22Å |
| 389 | E | 91.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 32.9 Ų | 32.9 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.7 | -27.5 | 176.8 | -66.2 | 175.4 | -166.4 | 0 | 0 | 112 | R386 A387 A393 | R386-E389 VanDerWaalsContact O-CB 3.23Å; R386-E389 WeakPolarHBondContact O-CB 3.48Å; R386-E389 VanDerWaalsContact O-CG 3.3Å; R386-E389 WeakPolarHBondContact O-CG 3.23Å; R386-E389 PolarHBondContact O-N 3.06Å; A387-E389 PolarHBondContact O-N 3.35Å; E389-A393 WeakPolarHBondContact O-CB 3.37Å; E389-A393 PolarHBondContact O-N 3.47Å; E389-A393 VanDerWaalsContact O-N 3.08Å |
| 390 | V | 92.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.3 | -57.1 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | L77 L348 K351 V352 L355 A387 S388 T392 A393 M394 | L77-V390 HydrophobicContact CD2-CB 4.48Å; L77-V390 HydrophobicContact CD2-CG1 3.83Å; L348-V390 HydrophobicContact CD1-CG1 3.61Å; K351-V390 HydrophobicContact CB-CG1 4.26Å; V352-V390 HydrophobicContact CG2-CG1 4.36Å; L355-V390 HydrophobicContact CB-CG2 4.17Å; L355-V390 HydrophobicContact CD2-CG2 3.89Å; A387-V390 PolarHBondContact O-N 3Å; S388-V390 PolarHBondContact O-N 3.06Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 3.23Å; V390-A393 WeakPolarHBondContact O-CB 3.35Å; V390-A393 PolarHBondContact O-N 3.23Å; V390-M394 WeakPolarHBondContact O-CG 3.36Å; V390-M394 PolarHBondContact O-N 3.21Å |
| 391 | S | 93.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 177.6 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | C97 V99 S388 A393 M394 V395 | C97-S391 WeakPolarHBondContact O-CB 3.44Å; C97-S391 PolarHBondContact O-OG 2.96Å; V99-S391 WeakPolarHBondContact O-CB 3.28Å; S388-S391 PolarHBondContact O-OG 2.93Å; S388-S391 VanDerWaalsContact O-OG 3.13Å; S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 3.45Å; S391-M394 PolarHBondContact O-N 2.88Å; S391-V395 WeakPolarHBondContact O-CG2 3.29Å; S391-V395 PolarHBondContact O-N 3.04Å |
| 392 | T | 93.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.9 | -42.4 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | S388 V390 V395 Y396 F782 | S388-T392 VanDerWaalsContact O-CB 3.22Å; S388-T392 WeakPolarHBondContact O-CB 3.46Å; S388-T392 PolarHBondContact O-N 3.04Å; S388-T392 PolarHBondContact O-OG1 3.22Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 3.23Å; T392-V395 PolarHBondContact O-N 3.19Å; T392-Y396 VanDerWaalsContact O-CB 3.31Å; T392-Y396 WeakPolarHBondContact O-CB 3.49Å; T392-Y396 PolarHBondContact O-N 3.31Å; T392-F782 HydrophobicContact CG2-CD1 3.38Å; T392-F782 HydrophobicContact CG2-CD2 4.4Å; T392-F782 HydrophobicContact CG2-CE1 3.1Å; T392-F782 HydrophobicContact CG2-CE2 4.16Å; T392-F782 HydrophobicContact CG2-CG 4.04Å; T392-F782 HydrophobicContact CG2-CZ 3.52Å |
| 393 | A | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K351 E389 V390 S391 Y396 M397 P404 | K351-A393 HydrophobicContact CD-CB 3.6Å; K351-A393 HydrophobicContact CG-CB 3.77Å; E389-A393 WeakPolarHBondContact O-CB 3.37Å; E389-A393 PolarHBondContact O-N 3.47Å; E389-A393 VanDerWaalsContact O-N 3.08Å; V390-A393 WeakPolarHBondContact O-CB 3.35Å; V390-A393 PolarHBondContact O-N 3.23Å; S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 3.45Å; A393-Y396 PolarHBondContact O-N 2.84Å; A393-M397 PolarHBondContact O-N 2.91Å; A393-P404 HydrophobicContact CB-CB 4.05Å; A393-P404 HydrophobicContact CB-CG 3.85Å |
| 394 | M | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 177 | -59.5 | -57.9 | -70.6 | 0 | 0 | 110.8 | L100 Y344 V347 L348 V390 S391 Y396 M397 V398 | L100-M394 HydrophobicContact CD1-CB 3.63Å; L100-M394 HydrophobicContact CD1-CE 4.41Å; L100-M394 HydrophobicContact CD1-CG 3.55Å; Y344-M394 HydrophobicContact CD1-CE 3.39Å; Y344-M394 HydrophobicContact CD2-CE 3.57Å; Y344-M394 HydrophobicContact CE1-CE 3.39Å; Y344-M394 HydrophobicContact CE2-CE 3.58Å; Y344-M394 HydrophobicContact CG-CE 3.47Å; Y344-M394 VanDerWaalsContact CG-CE 3.47Å; Y344-M394 VanDerWaalsContact CZ-CE 3.47Å; V347-M394 HydrophobicContact CB-CE 4.49Å; V347-M394 HydrophobicContact CB-SD 4.01Å; V347-M394 HydrophobicContact CG1-SD 3.55Å; V347-M394 VanDerWaalsContact CG1-SD 3.55Å; L348-M394 HydrophobicContact CB-CE 4.44Å; L348-M394 HydrophobicContact CB-SD 4.44Å; V390-M394 WeakPolarHBondContact O-CG 3.36Å; V390-M394 PolarHBondContact O-N 3.21Å; S391-M394 PolarHBondContact O-N 2.88Å; M394-Y396 VanDerWaalsContact C-N 3.34Å; M394-Y396 PolarHBondContact O-N 3.41Å; M394-M397 HydrophobicContact CE-CE 3.95Å; M394-M397 PolarHBondContact O-N 2.94Å; M394-V398 WeakPolarHBondContact O-CG2 3.35Å; M394-V398 PolarHBondContact O-N 2.87Å |
| 395 | V | 95.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 172.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | T72 P101 V135 S391 T392 M397 V398 S399 | T72-V395 HydrophobicContact CG2-CG2 4.47Å; P101-V395 HydrophobicContact CG-CG2 3.8Å; V135-V395 HydrophobicContact CG1-CG1 3.72Å; S391-V395 WeakPolarHBondContact O-CG2 3.29Å; S391-V395 PolarHBondContact O-N 3.04Å; T392-V395 PolarHBondContact O-N 3.19Å; V395-M397 PolarHBondContact O-N 3.23Å; V395-V398 PolarHBondContact O-N 3.47Å; V395-S399 WeakPolarHBondContact O-CB 3.41Å; V395-S399 PolarHBondContact O-N 3.31Å; V395-S399 PolarHBondContact O-OG 2.91Å |
| 396 | Y | 95.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 28.9 Ų | 28.9 | 30% | 0.302 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 175.8 | 175.1 | -92.8 | 0 | 0 | 0 | 112.2 | T392 A393 M394 S399 T400 N402 | T392-Y396 VanDerWaalsContact O-CB 3.31Å; T392-Y396 WeakPolarHBondContact O-CB 3.49Å; T392-Y396 PolarHBondContact O-N 3.31Å; A393-Y396 PolarHBondContact O-N 2.84Å; M394-Y396 VanDerWaalsContact C-N 3.34Å; M394-Y396 PolarHBondContact O-N 3.41Å; Y396-S399 PolarHBondContact O-N 2.86Å; Y396-S399 PolarHBondContact O-OG 3.35Å; Y396-T400 HydrophobicContact CD2-CG2 3.86Å; Y396-T400 HydrophobicContact CE2-CG2 3.67Å; Y396-T400 HydrophobicContact CG-CG2 4.49Å; Y396-T400 WeakPolarHBondContact O-CB 3.37Å; Y396-T400 PolarHBondContact O-N 3.41Å; Y396-T400 PolarHBondContact O-OG1 3.05Å; Y396-N402 HydrophobicContact CE1-CB 4.06Å |
| 397 | M | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 179 | 178.6 | -169.3 | 64.4 | 0 | 0 | 111.4 | L343 Y344 V347 A393 M394 V395 G401 N402 | L343-M397 HydrophobicContact CD1-SD 4.38Å; L343-M397 HydrophobicContact CD2-SD 4.15Å; L343-M397 HydrophobicContact CG-SD 4.04Å; Y344-M397 HydrophobicContact CD2-CE 3.73Å; Y344-M397 HydrophobicContact CE2-CE 3.87Å; V347-M397 HydrophobicContact CB-SD 4.14Å; V347-M397 HydrophobicContact CG1-SD 4.16Å; V347-M397 HydrophobicContact CG2-SD 3.66Å; A393-M397 PolarHBondContact O-N 2.91Å; M394-M397 HydrophobicContact CE-CE 3.95Å; M394-M397 PolarHBondContact O-N 2.94Å; V395-M397 PolarHBondContact O-N 3.23Å; M397-G401 WeakPolarHBondContact O-CA 3.45Å; M397-G401 PolarHBondContact O-N 3.23Å; M397-N402 WeakPolarHBondContact CA-O 3.33Å |
| 398 | V | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -37.5 | -178.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | F133 V135 R140 L142 Y344 M394 V395 S423 | F133-V398 HydrophobicContact CB-CG1 3.69Å; F133-V398 HydrophobicContact CD2-CG1 4.23Å; F133-V398 HydrophobicContact CG-CG1 4.03Å; V135-V398 HydrophobicContact CG2-CB 4.07Å; V135-V398 HydrophobicContact CG2-CG1 3.54Å; R140-V398 HydrophobicContact CB-CG1 3.79Å; R140-V398 HydrophobicContact CG-CG1 4.37Å; L142-V398 HydrophobicContact CD2-CG2 4.42Å; Y344-V398 HydrophobicContact CE2-CG2 3.97Å; M394-V398 WeakPolarHBondContact O-CG2 3.35Å; M394-V398 PolarHBondContact O-N 2.87Å; V395-V398 PolarHBondContact O-N 3.47Å; V398-S423 VanDerWaalsContact O-CB 3.26Å; V398-S423 WeakPolarHBondContact O-CB 3.35Å; V398-S423 PolarHBondContact O-OG 2.91Å |
| 399 | S | 94.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75 | -41.5 | -177.9 | 71 | 0 | 0 | 0 | 0 | 113.2 | R140 V395 Y396 | R140-S399 PolarHBondContact NE-O 3.18Å; R140-S399 PolarHBondContact NH1-O 3.26Å; R140-S399 VanDerWaalsContact NH1-O 3.09Å; R140-S399 PolarHBondContact NH2-O 3.3Å; V395-S399 WeakPolarHBondContact O-CB 3.41Å; V395-S399 PolarHBondContact O-N 3.31Å; V395-S399 PolarHBondContact O-OG 2.91Å; Y396-S399 PolarHBondContact O-N 2.86Å; Y396-S399 PolarHBondContact O-OG 3.35Å |
| 400 | T | 94 | Very high | 91.2 | Very high | 56 Ų | 56 | 30.1 Ų | 30.1 | 34% | 0.344 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -97.4 | -24.2 | -175.5 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | Y396 N402 | Y396-T400 HydrophobicContact CD2-CG2 3.86Å; Y396-T400 HydrophobicContact CE2-CG2 3.67Å; Y396-T400 HydrophobicContact CG-CG2 4.49Å; Y396-T400 WeakPolarHBondContact O-CB 3.37Å; Y396-T400 PolarHBondContact O-N 3.41Å; Y396-T400 PolarHBondContact O-OG1 3.05Å; T400-N402 VanDerWaalsContact C-N 3.27Å; T400-N402 PolarHBondContact OG1-N 2.9Å |
| 401 | G | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | 75.4 | 13.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | M397 T420 G421 L422 | M397-G401 WeakPolarHBondContact O-CA 3.45Å; M397-G401 PolarHBondContact O-N 3.23Å; G401-T420 CarbonylContact O-C 3.56Å; G401-G421 PolarHBondContact O-N 3.17Å; G401-L422 WeakPolarHBondContact O-CB 3.24Å; G401-L422 PolarHBondContact O-N 2.91Å | ||
| 402 | N | 93.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 31 Ų | 31 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -108.7 | 147.3 | 179.5 | -60.3 | -34.8 | 0 | 0 | 0 | 111.2 | Y396 M397 T400 S419 T420 | Y396-N402 HydrophobicContact CE1-CB 4.06Å; M397-N402 WeakPolarHBondContact CA-O 3.33Å; T400-N402 VanDerWaalsContact C-N 3.27Å; T400-N402 PolarHBondContact OG1-N 2.9Å; N402-S419 WeakPolarHBondContact CA-O 3.42Å; N402-T420 VanDerWaalsContact OD1-CA 3.32Å; N402-T420 WeakPolarHBondContact OD1-CA 3.08Å; N402-T420 VanDerWaalsContact OD1-CB 3.25Å; N402-T420 WeakPolarHBondContact OD1-CB 3.24Å; N402-T420 VanDerWaalsContact OD1-CG2 3.3Å; N402-T420 WeakPolarHBondContact OD1-CG2 3.39Å |
| 403 | L | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | trans | -62 | 138.5 | 169.2 | -70.8 | 175.6 | 0 | 0 | 0 | 109.9 | L343 V347 K408 L411 L415 Q418 S419 L422 | L343-L403 HydrophobicContact CD1-CD2 4.4Å; V347-L403 HydrophobicContact CG2-CD2 3.99Å; L403-K408 HydrophobicContact CB-CB 4.4Å; L403-K408 HydrophobicContact CB-CG 4.44Å; L403-L411 HydrophobicContact CD1-CB 3.91Å; L403-L411 HydrophobicContact CD2-CB 4.39Å; L403-L411 HydrophobicContact CD2-CD1 4.2Å; L403-L415 HydrophobicContact CD1-CD1 4.26Å; L403-L415 HydrophobicContact CD2-CD1 4.2Å; L403-Q418 WeakPolarHBondContact CD1-O 3.41Å; L403-S419 PolarHBondContact N-O 3.08Å; L403-L422 HydrophobicContact CD2-CD1 3.56Å; L403-L422 HydrophobicContact CG-CD1 3.77Å | ||
| 404 | P | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | trans | -56.3 | 138.5 | 175.4 | -23 | 31 | 0 | 0 | 0 | 111.4 | V347 A393 S406 C407 K408 | V347-P404 HydrophobicContact CG1-CG 3.94Å; A393-P404 HydrophobicContact CB-CB 4.05Å; A393-P404 HydrophobicContact CB-CG 3.85Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 3.27Å; P404-S406 VanDerWaalsContact O-N 3.11Å; P404-C407 PolarHBondContact O-N 3.12Å; P404-C407 VanDerWaalsContact O-N 3.08Å; P404-C407 PolarHBondContact O-SG 2.9Å; P404-C407 VanDerWaalsContact O-SG 3.37Å; P404-K408 PolarHBondContact O-N 3.2Å | ||
| 405 | P | 89.2 | Confident | 88.8 | Confident | 98 Ų | 98 | 33.4 Ų | 33.4 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -53.1 | -39.5 | -174 | -29.5 | 34.5 | 0 | 0 | 0 | 114.3 | C407 K408 | P405-C407 VanDerWaalsContact C-N 3.27Å; P405-C407 PolarHBondContact O-N 2.87Å; P405-K408 PolarHBondContact O-N 3.26Å |
| 406 | S | 84.6 | Confident | 88 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -68.2 | -21.6 | -176.3 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | R205 K351 P404 | R205-S406 PolarHBondContact NH2-O 2.64Å; R205-S406 VanDerWaalsContact NH2-O 3.12Å; K351-S406 WeakPolarHBondContact CE-OG 3.39Å; K351-S406 PolarHBondContact NZ-OG 3.46Å; P404-S406 VanDerWaalsContact C-N 3.26Å; P404-S406 PolarHBondContact O-N 3.27Å; P404-S406 VanDerWaalsContact O-N 3.11Å |
| 407 | C | 85.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -117.3 | 1.9 | 179.6 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | A350 P404 P405 S409 T410 L411 | A350-C407 HydrophobicContact CB-CB 3.79Å; P404-C407 PolarHBondContact O-N 3.12Å; P404-C407 VanDerWaalsContact O-N 3.08Å; P404-C407 PolarHBondContact O-SG 2.9Å; P404-C407 VanDerWaalsContact O-SG 3.37Å; P405-C407 VanDerWaalsContact C-N 3.27Å; P405-C407 PolarHBondContact O-N 2.87Å; C407-S409 PolarHBondContact O-N 3.33Å; C407-T410 PolarHBondContact O-N 3.18Å; C407-L411 HydrophobicContact CB-CD1 3.96Å; C407-L411 HydrophobicContact CB-CG 4.27Å; C407-L411 WeakPolarHBondContact O-CB 3.38Å; C407-L411 PolarHBondContact O-N 2.9Å |
| 408 | K | 86.1 | Confident | 86.8 | Confident | 98 Ų | 98 | 32.5 Ų | 32.5 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.1 | -47.2 | -176.9 | -176 | 177.9 | 178.6 | -178.6 | 0 | 112.2 | L403 P404 P405 S412 S419 | L403-K408 HydrophobicContact CB-CB 4.4Å; L403-K408 HydrophobicContact CB-CG 4.44Å; P404-K408 PolarHBondContact O-N 3.2Å; P405-K408 PolarHBondContact O-N 3.26Å; K408-S412 WeakPolarHBondContact O-CA 3.48Å; K408-S412 WeakPolarHBondContact O-CB 3.43Å; K408-S412 PolarHBondContact O-N 2.69Å; K408-S419 WeakPolarHBondContact CE-OG 3.39Å |
| 409 | S | 80 | Confident | 86.4 | Confident | 69 Ų | 69 | 33.5 Ų | 33.5 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -46.6 | -178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | R205 C407 | R205-S409 PolarHBondContact NE-OG 3.04Å; C407-S409 PolarHBondContact O-N 3.33Å |
| 410 | T | 80 | Confident | 86.3 | Confident | 47 Ų | 47 | 35 Ų | 35 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -53.2 | -179.2 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | R205 C407 | R205-T410 WeakPolarHBondContact CG-OG1 3.46Å; R205-T410 PolarHBondContact NE-OG1 3.19Å; C407-T410 PolarHBondContact O-N 3.18Å |
| 411 | L | 86.5 | Confident | 86 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.6 | -32.5 | -174.1 | -66.3 | 179.3 | 0 | 0 | 0 | 112.2 | Q346 V347 A350 L403 C407 A413 Q414 L415 | Q346-L411 HydrophobicContact CB-CD2 4.21Å; V347-L411 HydrophobicContact CB-CD1 4.33Å; V347-L411 HydrophobicContact CG2-CD1 3.65Å; A350-L411 HydrophobicContact CB-CD1 4.09Å; A350-L411 HydrophobicContact CB-CD2 4.38Å; A350-L411 HydrophobicContact CB-CG 4.35Å; L403-L411 HydrophobicContact CD1-CB 3.91Å; L403-L411 HydrophobicContact CD2-CB 4.39Å; L403-L411 HydrophobicContact CD2-CD1 4.2Å; C407-L411 HydrophobicContact CB-CD1 3.96Å; C407-L411 HydrophobicContact CB-CG 4.27Å; C407-L411 WeakPolarHBondContact O-CB 3.38Å; C407-L411 PolarHBondContact O-N 2.9Å; L411-A413 VanDerWaalsContact C-N 3.25Å; L411-A413 PolarHBondContact O-N 2.89Å; L411-Q414 VanDerWaalsContact CD2-OE1 3.25Å; L411-Q414 PolarHBondContact O-N 2.8Å; L411-Q414 VanDerWaalsContact O-N 3.1Å; L411-L415 WeakPolarHBondContact O-CB 3.39Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.3Å; L411-L415 PolarHBondContact O-N 3.42Å |
| 412 | S | 83.8 | Confident | 86 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -36 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | K408 L415 G417 | K408-S412 WeakPolarHBondContact O-CA 3.48Å; K408-S412 WeakPolarHBondContact O-CB 3.43Å; K408-S412 PolarHBondContact O-N 2.69Å; S412-L415 CarbonylContact O-C 3.53Å; S412-L415 PolarHBondContact O-N 2.86Å; S412-G417 VanDerWaalsContact O-CA 3.27Å; S412-G417 WeakPolarHBondContact O-CA 3.45Å; S412-G417 PolarHBondContact O-N 3.01Å; S412-G417 PolarHBondContact OG-O 3.12Å |
| 413 | A | 79.8 | Confident | 86 | Confident | 49 Ų | 49 | 31.7 Ų | 31.7 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L411 L415 | L411-A413 VanDerWaalsContact C-N 3.25Å; L411-A413 PolarHBondContact O-N 2.89Å; A413-L415 VanDerWaalsContact C-N 3.31Å; A413-L415 PolarHBondContact O-N 2.97Å |
| 414 | Q | 83.2 | Confident | 86.1 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.8 | -27.6 | 177.4 | -67.7 | 174.5 | -25.7 | 0 | 0 | 113.2 | V184 L411 | V184-Q414 HydrophobicContact CB-CB 4.25Å; V184-Q414 HydrophobicContact CB-CG 4.2Å; V184-Q414 HydrophobicContact CG1-CB 4.4Å; V184-Q414 HydrophobicContact CG1-CG 4.45Å; V184-Q414 PolarHBondContact O-NE2 2.91Å; L411-Q414 VanDerWaalsContact CD2-OE1 3.25Å; L411-Q414 PolarHBondContact O-N 2.8Å; L411-Q414 VanDerWaalsContact O-N 3.1Å |
| 415 | L | 84.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 31.3 | 179.8 | -61.6 | 178.4 | 0 | 0 | 0 | 112.7 | L338 L343 L403 L411 S412 A413 G417 Q418 | L338-L415 HydrophobicContact CD1-CD2 4.12Å; L338-L415 HydrophobicContact CD2-CD2 3.67Å; L343-L415 HydrophobicContact CD1-CD1 3.88Å; L403-L415 HydrophobicContact CD1-CD1 4.26Å; L403-L415 HydrophobicContact CD2-CD1 4.2Å; L411-L415 WeakPolarHBondContact O-CB 3.39Å; L411-L415 VanDerWaalsContact O-CG 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.3Å; L411-L415 PolarHBondContact O-N 3.42Å; S412-L415 CarbonylContact O-C 3.53Å; S412-L415 PolarHBondContact O-N 2.86Å; A413-L415 VanDerWaalsContact C-N 3.31Å; A413-L415 PolarHBondContact O-N 2.97Å; L415-G417 VanDerWaalsContact C-N 3.3Å; L415-G417 PolarHBondContact O-N 3.35Å; L415-Q418 HydrophobicContact CB-CB 4.27Å; L415-Q418 WeakPolarHBondContact O-CB 3.31Å; L415-Q418 PolarHBondContact O-N 3.02Å |
| 416 | S | 79.3 | Confident | 86.3 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 37.4 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 114.6 | Q418 | S416-Q418 VanDerWaalsContact C-N 3.33Š|
| 417 | G | 79.3 | Confident | 86.4 | Confident | 34 Ų | 34 | 32 Ų | 32 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -1.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S412 L415 S419 | S412-G417 VanDerWaalsContact O-CA 3.27Å; S412-G417 WeakPolarHBondContact O-CA 3.45Å; S412-G417 PolarHBondContact O-N 3.01Å; S412-G417 PolarHBondContact OG-O 3.12Å; L415-G417 VanDerWaalsContact C-N 3.3Å; L415-G417 PolarHBondContact O-N 3.35Å; G417-S419 PolarHBondContact O-N 3.46Å |
| 418 | Q | 85 | Confident | 86.4 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | trans | -77.1 | 124.6 | -179 | -167.3 | 68 | -2.4 | 0 | 0 | 111.5 | L145 L403 L415 S416 T420 L422 A445 | L145-Q418 HydrophobicContact CD1-CG 4.31Å; L403-Q418 WeakPolarHBondContact CD1-O 3.41Å; L415-Q418 HydrophobicContact CB-CB 4.27Å; L415-Q418 WeakPolarHBondContact O-CB 3.31Å; L415-Q418 PolarHBondContact O-N 3.02Å; S416-Q418 VanDerWaalsContact C-N 3.33Å; Q418-T420 PolarHBondContact NE2-O 2.86Å; Q418-L422 HydrophobicContact CG-CD2 3.69Å; Q418-A445 VanDerWaalsContact CD-N 3.35Å; Q418-A445 VanDerWaalsContact NE2-N 3.13Å | ||
| 419 | S | 87.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | trans | -134 | -11.2 | 176.3 | 64.4 | 0 | 0 | 0 | 0 | 115.4 | N402 L403 K408 G417 | N402-S419 WeakPolarHBondContact CA-O 3.42Å; L403-S419 PolarHBondContact N-O 3.08Å; K408-S419 WeakPolarHBondContact CE-OG 3.39Å; G417-S419 PolarHBondContact O-N 3.46Å | ||
| 420 | T | 91.3 | Very high | 87.2 | Confident | 58 Ų | 58 | 25.1 Ų | 25.1 | 36% | 0.356 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -132.2 | 166 | -177.1 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | G401 N402 Q418 L422 | G401-T420 CarbonylContact O-C 3.56Å; N402-T420 VanDerWaalsContact OD1-CA 3.32Å; N402-T420 WeakPolarHBondContact OD1-CA 3.08Å; N402-T420 VanDerWaalsContact OD1-CB 3.25Å; N402-T420 WeakPolarHBondContact OD1-CB 3.24Å; N402-T420 VanDerWaalsContact OD1-CG2 3.3Å; N402-T420 WeakPolarHBondContact OD1-CG2 3.39Å; Q418-T420 PolarHBondContact NE2-O 2.86Å; T420-L422 VanDerWaalsContact C-N 3.28Å; T420-L422 PolarHBondContact O-N 2.77Å |
| 421 | G | 88.5 | Confident | 87.8 | Confident | 26 Ų | 26 | 23 Ų | 23 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | trans | 65.4 | 25.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G401 | G401-G421 PolarHBondContact O-N 3.17Š| ||
| 422 | L | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -75.1 | -28.7 | 176.5 | -57.5 | 177.3 | 0 | 0 | 0 | 112.6 | R143 L145 L343 G401 L403 Q418 T420 | R143-L422 PolarHBondContact N-O 3.02Å; L145-L422 HydrophobicContact CD1-CD2 3.4Å; L145-L422 VanDerWaalsContact CD1-CD2 3.4Å; L343-L422 HydrophobicContact CD1-CD1 4.18Å; L343-L422 HydrophobicContact CD2-CB 4.15Å; L343-L422 HydrophobicContact CD2-CD1 4.15Å; G401-L422 WeakPolarHBondContact O-CB 3.24Å; G401-L422 PolarHBondContact O-N 2.91Å; L403-L422 HydrophobicContact CD2-CD1 3.56Å; L403-L422 HydrophobicContact CG-CD1 3.77Å; Q418-L422 HydrophobicContact CG-CD2 3.69Å; T420-L422 VanDerWaalsContact C-N 3.28Å; T420-L422 PolarHBondContact O-N 2.77Å |
| 423 | S | 94.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.5 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | V141 V398 | V141-S423 CarbonylContact O-C 3.59Å; V141-S423 WeakPolarHBondContact O-CA 3.48Å; V398-S423 VanDerWaalsContact O-CB 3.26Å; V398-S423 WeakPolarHBondContact O-CB 3.35Å; V398-S423 PolarHBondContact O-OG 2.91Å |
| 424 | V | 94.2 | Very high | 89.3 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.3 | 172.7 | -78 | 0 | 0 | 0 | 0 | 112.6 | R140 V141 R143 A426 | R140-V424 CarbonylContact C-O 3.59Å; R140-V424 VanDerWaalsContact CA-O 3.32Å; R140-V424 WeakPolarHBondContact CA-O 3.41Å; V141-V424 HydrophobicContact CB-CG2 4.22Å; V141-V424 PolarHBondContact N-O 3.3Å; V141-V424 PolarHBondContact O-N 2.94Å; R143-V424 HydrophobicContact CG-CG1 4.37Å; R143-V424 HydrophobicContact CG-CG2 3.92Å; V424-A426 PolarHBondContact O-N 2.81Å |
| 425 | P | 94 | Very high | 89.8 | Confident | 62 Ų | 62 | 22.2 Ų | 22.2 | 40% | 0.403 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136.7 | 167.1 | 27.6 | -34.1 | 0 | 0 | 0 | 110.5 | D427 Q437 | P425-D427 PolarHBondContact O-N 3.03Å; P425-Q437 PolarHBondContact O-NE2 3.28Å |
| 426 | A | 92.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | trans | -70.5 | 116.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | E139 V141 V424 N428 F434 Q437 | E139-A426 HydrophobicContact CB-CB 3.62Å; E139-A426 PolarHBondContact O-N 3.2Å; V141-A426 HydrophobicContact CG2-CB 4Å; V424-A426 PolarHBondContact O-N 2.81Å; A426-N428 PolarHBondContact O-N 3.4Å; A426-F434 HydrophobicContact CB-CD2 4.19Å; A426-F434 HydrophobicContact CB-CE2 3.97Å; A426-Q437 VanDerWaalsContact CA-OE1 3.27Å | ||
| 427 | D | 85.9 | Confident | 91 | Very high | 46 Ų | 46 | 21.4 Ų | 21.4 | 25% | 0.246 | 13% | 0.132 | C | C | . | . | trans | -90.6 | 96.9 | -173.6 | -80.4 | -32 | 0 | 0 | 0 | 110.1 | P425 V429 R433 Q437 | P425-D427 PolarHBondContact O-N 3.03Å; D427-V429 PolarHBondContact O-N 2.82Å; D427-R433 HydrophobicContact CB-CG 3.63Å; D427-R433 WeakPolarHBondContact O-CG 3.35Å; D427-R433 IonicContact OD2-CZ 3.24Å; D427-R433 IonicContact OD2-NE 3.16Å; D427-R433 PolarHBondContact OD2-NE 2.97Å; D427-R433 IonicContact OD2-NH2 3.06Å; D427-R433 PolarHBondContact OD2-NH2 2.82Å; D427-Q437 VanDerWaalsContact N-NE2 3.19Å; D427-Q437 VanDerWaalsContact N-OE1 3.09Å | ||
| 428 | N | 85.2 | Confident | 91.8 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 37.4 | -178.7 | -64.3 | -21.8 | 0 | 0 | 0 | 113.7 | E139 A426 F434 S687 R694 | E139-N428 PolarHBondContact OE2-ND2 2.81Å; A426-N428 PolarHBondContact O-N 3.4Å; N428-F434 WeakPolarHBondContact OD1-CD2 3.43Å; N428-S687 VanDerWaalsContact O-CB 3.23Å; N428-S687 WeakPolarHBondContact O-CB 3.42Å; N428-S687 PolarHBondContact O-OG 2.85Å; N428-R694 PolarHBondContact ND2-NH2 3.18Å |
| 429 | V | 90.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -46.3 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.6 | D427 R433 Y700 R998 | D427-V429 PolarHBondContact O-N 2.82Å; V429-R433 HydrophobicContact CB-CG 4.46Å; V429-Y700 HydrophobicContact CB-CD2 4.49Å; V429-Y700 HydrophobicContact CG1-CD2 4.06Å; V429-Y700 HydrophobicContact CG1-CE2 4.39Å; V429-Y700 HydrophobicContact CG2-CE2 4.43Å; V429-R998 VanDerWaalsContact CG2-NH1 3.29Å |
| 430 | N | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -157.5 | 168.1 | 174.4 | 68.9 | 37.1 | 0 | 0 | 0 | 108.7 | L432 R433 F434 A680 T683 L725 | N430-L432 PolarHBondContact O-N 2.93Å; N430-L432 PolarHBondContact OD1-N 3.41Å; N430-R433 PolarHBondContact O-N 2.78Å; N430-R433 WeakPolarHBondContact OD1-CB 3.14Å; N430-R433 PolarHBondContact OD1-N 2.71Å; N430-F434 PolarHBondContact O-N 3.25Å; N430-A680 PolarHBondContact ND2-O 2.95Å; N430-T683 PolarHBondContact ND2-O 3.1Å; N430-L725 HydrophobicContact CB-CD2 3.65Å |
| 431 | F | 92.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | -178.8 | 178 | -104.6 | 0 | 0 | 0 | 113.6 | M1 I129 R433 F434 A435 F657 H686 Y723 | M1-F431 HydrophobicContact CE-CE1 4.26Å; M1-F431 HydrophobicContact CE-CZ 4.27Å; M1-F431 HydrophobicContact CG-CZ 4.09Å; M1-F431 HydrophobicContact SD-CE1 3.92Å; M1-F431 HydrophobicContact SD-CE2 3.93Å; M1-F431 HydrophobicContact SD-CZ 3.35Å; M1-F431 WeakPolarHBondContact SD-CZ 3.44Å; I129-F431 HydrophobicContact CD1-CE2 4.5Å; F431-R433 PolarHBondContact O-N 2.76Å; F431-F434 PolarHBondContact O-N 2.81Å; F431-A435 HydrophobicContact CE1-CB 4.19Å; F431-A435 HydrophobicContact CZ-CB 4.15Å; F431-A435 VanDerWaalsContact O-CB 3.24Å; F431-A435 WeakPolarHBondContact O-CB 3.17Å; F431-A435 PolarHBondContact O-N 2.8Å; F431-F657 HydrophobicContact CE1-CE1 4.39Å; F431-F657 HydrophobicContact CE1-CZ 4.18Å; F431-H686 PolarHBondContact N-O 3.24Å; F431-H686 VanDerWaalsContact N-O 3.15Å; F431-Y723 HydrophobicContact CB-CD1 4.22Å; F431-Y723 HydrophobicContact CB-CD2 3.85Å; F431-Y723 HydrophobicContact CB-CG 3.63Å; F431-Y723 AromaticContact CD1-CD2 3.71Å; F431-Y723 HydrophobicContact CD1-CD2 3.71Å; F431-Y723 HydrophobicContact CD1-CE2 4.46Å; F431-Y723 HydrophobicContact CD1-CG 4.26Å; F431-Y723 AromaticContact CD2-CD2 3.53Å; F431-Y723 HydrophobicContact CD2-CD2 3.53Å; F431-Y723 AromaticContact CD2-CE2 3.56Å; F431-Y723 HydrophobicContact CD2-CE2 3.56Å; F431-Y723 HydrophobicContact CD2-CG 4.13Å; F431-Y723 HydrophobicContact CE1-CD2 4.14Å; F431-Y723 AromaticContact CE2-CD2 3.98Å; F431-Y723 HydrophobicContact CE2-CD2 3.98Å; F431-Y723 AromaticContact CE2-CE2 3.76Å; F431-Y723 HydrophobicContact CE2-CE2 3.76Å; F431-Y723 AromaticContact CG-CD2 3.38Å; F431-Y723 HydrophobicContact CG-CD2 3.38Å; F431-Y723 AromaticContact CG-CE2 3.95Å; F431-Y723 HydrophobicContact CG-CE2 3.95Å; F431-Y723 AromaticContact CG-CG 3.74Å; F431-Y723 HydrophobicContact CG-CG 3.74Å; F431-Y723 HydrophobicContact CZ-CD2 4.27Å; F431-Y723 HydrophobicContact CZ-CE2 4.3Å |
| 432 | L | 93.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | -178.8 | -64 | -173.8 | 0 | 0 | 0 | 112.8 | N430 A436 F657 L661 A680 V720 L725 | N430-L432 PolarHBondContact O-N 2.93Å; N430-L432 PolarHBondContact OD1-N 3.41Å; L432-A436 WeakPolarHBondContact O-CB 3.47Å; L432-A436 PolarHBondContact O-N 3.44Å; L432-F657 HydrophobicContact CD2-CE1 3.47Å; L432-F657 VanDerWaalsContact CD2-CE1 3.47Å; L432-F657 HydrophobicContact CD2-CZ 3.65Å; L432-L661 HydrophobicContact CD1-CD1 3.82Å; L432-L661 HydrophobicContact CD2-CD1 3.47Å; L432-L661 VanDerWaalsContact CD2-CD1 3.47Å; L432-L661 HydrophobicContact CG-CD1 4.32Å; L432-A680 HydrophobicContact CD1-CB 4.16Å; L432-V720 HydrophobicContact CD2-CG1 4.49Å; L432-L725 HydrophobicContact CB-CD1 4.24Å; L432-L725 HydrophobicContact CD1-CD1 3.33Å; L432-L725 HydrophobicContact CG-CD1 3.6Å |
| 433 | R | 94.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 16.8 Ų | 16.8 | 30% | 0.298 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 174.9 | 175.5 | 63.8 | -179 | -173.2 | -0.8 | 110.6 | D427 V429 N430 F431 Q437 K681 | D427-R433 HydrophobicContact CB-CG 3.63Å; D427-R433 WeakPolarHBondContact O-CG 3.35Å; D427-R433 IonicContact OD2-CZ 3.24Å; D427-R433 IonicContact OD2-NE 3.16Å; D427-R433 PolarHBondContact OD2-NE 2.97Å; D427-R433 IonicContact OD2-NH2 3.06Å; D427-R433 PolarHBondContact OD2-NH2 2.82Å; V429-R433 HydrophobicContact CB-CG 4.46Å; N430-R433 PolarHBondContact O-N 2.78Å; N430-R433 WeakPolarHBondContact OD1-CB 3.14Å; N430-R433 PolarHBondContact OD1-N 2.71Å; F431-R433 PolarHBondContact O-N 2.76Å; R433-Q437 WeakPolarHBondContact O-CG 3.34Å; R433-K681 HydrophobicContact CB-CB 4.31Å; R433-K681 HydrophobicContact CB-CG 4.49Å |
| 434 | F | 93.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 6% | 0.057 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -53.5 | 178.1 | 177.8 | -114.7 | 0 | 0 | 0 | 110.9 | I129 Y132 A426 N428 N430 F431 A436 Q437 F438 | I129-F434 HydrophobicContact CD1-CD1 3.83Å; I129-F434 HydrophobicContact CD1-CE1 3.48Å; I129-F434 VanDerWaalsContact CD1-CE1 3.48Å; I129-F434 HydrophobicContact CD1-CZ 4.38Å; I129-F434 HydrophobicContact CG1-CD1 4.42Å; I129-F434 HydrophobicContact CG1-CE1 3.62Å; I129-F434 HydrophobicContact CG1-CZ 4.35Å; Y132-F434 HydrophobicContact CD1-CE2 4.22Å; Y132-F434 AromaticContact CD1-CZ 3.78Å; Y132-F434 HydrophobicContact CD1-CZ 3.78Å; Y132-F434 HydrophobicContact CE1-CE2 4.35Å; Y132-F434 AromaticContact CE1-CZ 3.66Å; Y132-F434 HydrophobicContact CE1-CZ 3.66Å; A426-F434 HydrophobicContact CB-CD2 4.19Å; A426-F434 HydrophobicContact CB-CE2 3.97Å; N428-F434 WeakPolarHBondContact OD1-CD2 3.43Å; N430-F434 PolarHBondContact O-N 3.25Å; F431-F434 PolarHBondContact O-N 2.81Å; F434-A436 VanDerWaalsContact C-N 3.32Å; F434-A436 PolarHBondContact O-N 3.05Å; F434-Q437 WeakPolarHBondContact O-CB 3.43Å; F434-Q437 PolarHBondContact O-N 2.91Å; F434-Q437 VanDerWaalsContact O-N 3.14Å; F434-F438 HydrophobicContact CD1-CE2 4.07Å; F434-F438 HydrophobicContact CD2-CE2 4.17Å; F434-F438 HydrophobicContact CD2-CZ 4.43Å; F434-F438 AromaticContact CE1-CE2 3.87Å; F434-F438 HydrophobicContact CE1-CE2 3.87Å; F434-F438 HydrophobicContact CE1-CZ 4.24Å; F434-F438 AromaticContact CE2-CE2 3.95Å; F434-F438 HydrophobicContact CE2-CE2 3.95Å; F434-F438 AromaticContact CE2-CZ 3.83Å; F434-F438 HydrophobicContact CE2-CZ 3.83Å; F434-F438 HydrophobicContact CG-CE2 4.23Å; F434-F438 AromaticContact CZ-CE2 3.8Å; F434-F438 HydrophobicContact CZ-CE2 3.8Å; F434-F438 AromaticContact CZ-CZ 3.72Å; F434-F438 HydrophobicContact CZ-CZ 3.72Å; F434-F438 WeakPolarHBondContact O-CD2 3.46Å; F434-F438 WeakPolarHBondContact O-CE2 3.21Å |
| 435 | A | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L4 F431 Q437 F438 F657 | L4-A435 HydrophobicContact CD1-CB 4.02Å; F431-A435 HydrophobicContact CE1-CB 4.19Å; F431-A435 HydrophobicContact CZ-CB 4.15Å; F431-A435 VanDerWaalsContact O-CB 3.24Å; F431-A435 WeakPolarHBondContact O-CB 3.17Å; F431-A435 PolarHBondContact O-N 2.8Å; A435-Q437 PolarHBondContact O-N 3.3Å; A435-F438 PolarHBondContact O-N 2.9Å; A435-F657 HydrophobicContact CB-CD1 4.27Å; A435-F657 HydrophobicContact CB-CE1 3.9Å |
| 436 | A | 94.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -30 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L432 F434 F438 R439 A440 H482 V658 K681 | L432-A436 WeakPolarHBondContact O-CB 3.47Å; L432-A436 PolarHBondContact O-N 3.44Å; F434-A436 VanDerWaalsContact C-N 3.32Å; F434-A436 PolarHBondContact O-N 3.05Å; A436-F438 VanDerWaalsContact C-N 3.27Å; A436-F438 PolarHBondContact O-N 3.2Å; A436-R439 PolarHBondContact O-N 3.21Å; A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 2.92Å; A436-H482 PolarHBondContact O-CD2 3.06Å; A436-V658 HydrophobicContact CB-CG2 4.13Å; A436-K681 HydrophobicContact CB-CD 3.88Å |
| 437 | Q | 95.2 | Very high | 91.2 | Very high | 22 Ų | 22 | 18.7 Ų | 18.7 | 10% | 0.103 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.1 | -32.1 | -179.4 | -69.2 | 176.7 | -34.7 | 0 | 0 | 112.5 | P425 A426 D427 R433 F434 A435 R439 A440 | P425-Q437 PolarHBondContact O-NE2 3.28Å; A426-Q437 VanDerWaalsContact CA-OE1 3.27Å; D427-Q437 VanDerWaalsContact N-NE2 3.19Å; D427-Q437 VanDerWaalsContact N-OE1 3.09Å; R433-Q437 WeakPolarHBondContact O-CG 3.34Å; F434-Q437 WeakPolarHBondContact O-CB 3.43Å; F434-Q437 PolarHBondContact O-N 2.91Å; F434-Q437 VanDerWaalsContact O-N 3.14Å; A435-Q437 PolarHBondContact O-N 3.3Å; Q437-R439 VanDerWaalsContact C-N 3.31Å; Q437-R439 PolarHBondContact O-N 3.35Å; Q437-A440 PolarHBondContact O-N 2.89Å |
| 438 | F | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.6 | -25.1 | 178.9 | -57.6 | -73.4 | 0 | 0 | 0 | 113 | L4 H8 I129 G130 Y132 V141 F434 A435 A436 | L4-F438 WeakPolarHBondContact O-CB 3.48Å; H8-F438 AromaticContact CD2-CD1 3.9Å; H8-F438 PolarHBondContact CD2-O 3.01Å; H8-F438 WeakPolarHBondContact NE2-CA 3.42Å; H8-F438 PolarHBondContact NE2-O 3.39Å; I129-F438 HydrophobicContact CD1-CD2 3.82Å; I129-F438 HydrophobicContact CD1-CE2 3.53Å; I129-F438 HydrophobicContact CD1-CZ 4.36Å; I129-F438 HydrophobicContact CG1-CE2 4.33Å; G130-F438 WeakPolarHBondContact O-CE1 3.49Å; G130-F438 WeakPolarHBondContact O-CZ 3.47Å; Y132-F438 HydrophobicContact CD1-CE1 4.42Å; Y132-F438 AromaticContact CD1-CZ 3.99Å; Y132-F438 HydrophobicContact CD1-CZ 3.99Å; V141-F438 HydrophobicContact CG1-CD1 4.21Å; V141-F438 HydrophobicContact CG1-CE1 4.17Å; V141-F438 HydrophobicContact CG2-CE1 4.01Å; V141-F438 HydrophobicContact CG2-CZ 4.23Å; F434-F438 HydrophobicContact CD1-CE2 4.07Å; F434-F438 HydrophobicContact CD2-CE2 4.17Å; F434-F438 HydrophobicContact CD2-CZ 4.43Å; F434-F438 AromaticContact CE1-CE2 3.87Å; F434-F438 HydrophobicContact CE1-CE2 3.87Å; F434-F438 HydrophobicContact CE1-CZ 4.24Å; F434-F438 AromaticContact CE2-CE2 3.95Å; F434-F438 HydrophobicContact CE2-CE2 3.95Å; F434-F438 AromaticContact CE2-CZ 3.83Å; F434-F438 HydrophobicContact CE2-CZ 3.83Å; F434-F438 HydrophobicContact CG-CE2 4.23Å; F434-F438 AromaticContact CZ-CE2 3.8Å; F434-F438 HydrophobicContact CZ-CE2 3.8Å; F434-F438 AromaticContact CZ-CZ 3.72Å; F434-F438 HydrophobicContact CZ-CZ 3.72Å; F434-F438 WeakPolarHBondContact O-CD2 3.46Å; F434-F438 WeakPolarHBondContact O-CE2 3.21Å; A435-F438 PolarHBondContact O-N 2.9Å; A436-F438 VanDerWaalsContact C-N 3.27Å; A436-F438 PolarHBondContact O-N 3.2Å |
| 439 | R | 95.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 3% | 0.034 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -97.8 | -1.3 | 177.3 | -57.8 | -59.6 | -65 | -174.8 | -4.3 | 113.1 | L4 A436 Q437 H482 L483 A484 E485 V487 | L4-R439 HydrophobicContact CD2-CG 4.19Å; L4-R439 VanDerWaalsContact O-CD 3.25Å; L4-R439 WeakPolarHBondContact O-CD 3.42Å; A436-R439 PolarHBondContact O-N 3.21Å; Q437-R439 VanDerWaalsContact C-N 3.31Å; Q437-R439 PolarHBondContact O-N 3.35Å; R439-H482 CarbonylContact O-C 3.56Å; R439-H482 VanDerWaalsContact O-CA 3.3Å; R439-H482 WeakPolarHBondContact O-CA 3.01Å; R439-L483 PolarHBondContact O-N 3.01Å; R439-A484 PolarHBondContact NH2-O 3.39Å; R439-E485 PolarHBondContact NH2-O 2.91Å; R439-V487 PolarHBondContact NH1-O 3.04Å; R439-V487 PolarHBondContact NH2-O 3.33Å |
| 440 | A | 96.2 | Very high | 90.4 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 130.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | A436 Q437 L480 N481 | A436-A440 WeakPolarHBondContact O-CB 3.49Å; A436-A440 PolarHBondContact O-N 2.92Å; Q437-A440 PolarHBondContact O-N 2.89Å; A440-L480 HydrophobicContact CB-CD1 4.02Å; A440-N481 WeakPolarHBondContact CA-O 3.44Å |
| 441 | V | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.9 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | L144 I146 V337 F466 N481 L483 | L144-V441 HydrophobicContact CB-CB 4.38Å; L144-V441 HydrophobicContact CB-CG1 4.35Å; L144-V441 HydrophobicContact CB-CG2 3.93Å; L144-V441 HydrophobicContact CD1-CG2 3.98Å; L144-V441 WeakPolarHBondContact O-CA 3.29Å; I146-V441 HydrophobicContact CD1-CG1 4.1Å; I146-V441 HydrophobicContact CG1-CG1 3.48Å; I146-V441 VanDerWaalsContact CG1-CG1 3.48Å; V337-V441 HydrophobicContact CG2-CG1 4.17Å; V441-F466 HydrophobicContact CB-CE1 4.3Å; V441-F466 HydrophobicContact CG1-CE1 4.33Å; V441-F466 HydrophobicContact CG2-CE1 4.44Å; V441-N481 PolarHBondContact N-O 3.26Å; V441-N481 PolarHBondContact O-N 3.02Å; V441-N481 VanDerWaalsContact O-O 3.1Å; V441-L483 HydrophobicContact CG2-CD1 4.15Å; V441-L483 HydrophobicContact CG2-CD2 3.7Å; V441-L483 HydrophobicContact CG2-CG 3.63Å |
| 442 | H | 94.1 | Very high | 89.4 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.3 | -175.2 | -169.4 | -90.2 | 0 | 0 | 0 | 111.3 | L144 L145 I146 G444 L479 L480 | L144-H442 PolarHBondContact O-N 3.47Å; L145-H442 WeakPolarHBondContact CA-O 3.39Å; L145-H442 HydrophobicContact CD2-CB 4.1Å; I146-H442 PolarHBondContact N-O 3.22Å; H442-G444 VanDerWaalsContact C-N 3.35Å; H442-G444 PolarHBondContact CE1-O 2.81Å; H442-G444 VanDerWaalsContact CE1-O 3.29Å; H442-G444 VanDerWaalsContact ND1-CA 3.35Å; H442-G444 WeakPolarHBondContact ND1-CA 3.46Å; H442-G444 PolarHBondContact ND1-N 3.3Å; H442-G444 PolarHBondContact O-N 2.98Å; H442-L479 WeakPolarHBondContact CA-O 3.5Å; H442-L480 HydrophobicContact CB-CD1 4.25Å |
| 443 | R | 90.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.038 | 23% | 0.231 | C | C | . | . | trans | -66.4 | -35.1 | 179.3 | -175.8 | 60.5 | -177.4 | 122.7 | -11.7 | 113.5 | I146 N329 D330 F447 L479 | I146-R443 PolarHBondContact O-NH1 2.86Å; N329-R443 PolarHBondContact O-NH2 2.87Å; D330-R443 IonicContact OD1-CZ 3.47Å; D330-R443 IonicContact OD1-NE 2.89Å; D330-R443 IonicContact OD1-NH2 3.01Å; D330-R443 PolarHBondContact OD1-NH2 3.19Å; R443-F447 HydrophobicContact CB-CD2 4.43Å; R443-F447 HydrophobicContact CG-CB 4.14Å; R443-F447 HydrophobicContact CG-CD1 4.41Å; R443-F447 HydrophobicContact CG-CD2 3.64Å; R443-F447 HydrophobicContact CG-CE2 4.08Å; R443-F447 HydrophobicContact CG-CG 3.81Å; R443-F447 WeakPolarHBondContact O-CD2 3.47Å; R443-F447 WeakPolarHBondContact O-CE2 3.22Å; R443-L479 HydrophobicContact CB-CD2 4.03Å; R443-L479 HydrophobicContact CG-CD2 4.28Å; R443-L479 PolarHBondContact N-O 2.95Å | ||
| 444 | G | 86.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | 138.7 | 146.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H442 F446 F447 | H442-G444 VanDerWaalsContact C-N 3.35Å; H442-G444 PolarHBondContact CE1-O 2.81Å; H442-G444 VanDerWaalsContact CE1-O 3.29Å; H442-G444 VanDerWaalsContact ND1-CA 3.35Å; H442-G444 WeakPolarHBondContact ND1-CA 3.46Å; H442-G444 PolarHBondContact ND1-N 3.3Å; H442-G444 PolarHBondContact O-N 2.98Å; G444-F446 PolarHBondContact O-N 2.9Å; G444-F447 PolarHBondContact O-N 3.1Å | ||
| 445 | A | 83.8 | Confident | 88.5 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -63.6 | -33.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q418 F447 T448 | Q418-A445 VanDerWaalsContact CD-N 3.35Å; Q418-A445 VanDerWaalsContact NE2-N 3.13Å; A445-F447 PolarHBondContact O-N 3.06Å; A445-F447 VanDerWaalsContact O-N 3.16Å; A445-T448 WeakPolarHBondContact O-CB 3.45Å; A445-T448 PolarHBondContact O-N 2.88Å; A445-T448 PolarHBondContact O-OG1 3.4Å |
| 446 | F | 81 | Confident | 88.4 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -52.8 | -35.9 | 173.6 | -178.5 | -110.7 | 0 | 0 | 0 | 113.3 | G444 T448 M450 | G444-F446 PolarHBondContact O-N 2.9Å; F446-T448 VanDerWaalsContact C-N 3.33Å; F446-T448 PolarHBondContact O-N 3.43Å; F446-M450 HydrophobicContact CD1-CE 3.74Å; F446-M450 HydrophobicContact CE1-CE 3.17Å; F446-M450 HydrophobicContact CZ-CE 3.89Å |
| 447 | F | 82.4 | Confident | 88.3 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -80.9 | -11.6 | -178.9 | -60.3 | -82.8 | 0 | 0 | 0 | 113.8 | R443 G444 A445 E449 M450 V455 L479 | R443-F447 HydrophobicContact CB-CD2 4.43Å; R443-F447 HydrophobicContact CG-CB 4.14Å; R443-F447 HydrophobicContact CG-CD1 4.41Å; R443-F447 HydrophobicContact CG-CD2 3.64Å; R443-F447 HydrophobicContact CG-CE2 4.08Å; R443-F447 HydrophobicContact CG-CG 3.81Å; R443-F447 WeakPolarHBondContact O-CD2 3.47Å; R443-F447 WeakPolarHBondContact O-CE2 3.22Å; G444-F447 PolarHBondContact O-N 3.1Å; A445-F447 PolarHBondContact O-N 3.06Å; A445-F447 VanDerWaalsContact O-N 3.16Å; F447-E449 VanDerWaalsContact C-N 3.27Å; F447-E449 PolarHBondContact O-N 3.4Å; F447-M450 HydrophobicContact CD1-CE 3.87Å; F447-M450 HydrophobicContact CD1-SD 3.92Å; F447-M450 HydrophobicContact CE1-CE 3.97Å; F447-M450 HydrophobicContact CE1-SD 4.41Å; F447-M450 PolarHBondContact O-N 2.86Å; F447-V455 HydrophobicContact CD1-CG1 4.04Å; F447-V455 HydrophobicContact CE1-CG1 4.48Å; F447-L479 HydrophobicContact CB-CD2 4.07Å |
| 448 | T | 82.8 | Confident | 88.3 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -70.6 | -27.7 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | A445 F446 L479 | A445-T448 WeakPolarHBondContact O-CB 3.45Å; A445-T448 PolarHBondContact O-N 2.88Å; A445-T448 PolarHBondContact O-OG1 3.4Å; F446-T448 VanDerWaalsContact C-N 3.33Å; F446-T448 PolarHBondContact O-N 3.43Å; T448-L479 HydrophobicContact CG2-CD1 3.69Å |
| 449 | E | 81.7 | Confident | 88.2 | Confident | 163 Ų | 163 | 65 Ų | 65 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -84.6 | -17.5 | 178.6 | -62.4 | 178.1 | -175.8 | 0 | 0 | 112.4 | F447 | F447-E449 VanDerWaalsContact C-N 3.27Å; F447-E449 PolarHBondContact O-N 3.4Å |
| 450 | M | 80 | Confident | 88.2 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | trans | -69.6 | 132.8 | 177.2 | -73.1 | -162.5 | -166.5 | 0 | 0 | 111.4 | F446 F447 T452 | F446-M450 HydrophobicContact CD1-CE 3.74Å; F446-M450 HydrophobicContact CE1-CE 3.17Å; F446-M450 HydrophobicContact CZ-CE 3.89Å; F447-M450 HydrophobicContact CD1-CE 3.87Å; F447-M450 HydrophobicContact CD1-SD 3.92Å; F447-M450 HydrophobicContact CE1-CE 3.97Å; F447-M450 HydrophobicContact CE1-SD 4.41Å; F447-M450 PolarHBondContact O-N 2.86Å; M450-T452 VanDerWaalsContact C-N 3.34Å | ||
| 451 | R | 81.3 | Confident | 88.2 | Confident | 249 Ų | 249 | 71 Ų | 71 | 94% | 0.94 | 35% | 0.351 | S | S | * | . | trans | -81.3 | -11.7 | 177.2 | -64.4 | -175.2 | 179.1 | -174.1 | -0.8 | 113.7 | ||||
| 452 | T | 85.4 | Confident | 88.2 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | trans | -74.3 | 141.6 | -179.8 | 51 | 0 | 0 | 0 | 0 | 111.1 | M450 | M450-T452 VanDerWaalsContact C-N 3.34Š| ||
| 453 | T | 88 | Confident | 88.3 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -92.9 | -10.5 | 179.9 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | V455 R456 R457 | T453-V455 VanDerWaalsContact C-N 3.29Å; T453-V455 PolarHBondContact O-N 3.48Å; T453-R456 WeakPolarHBondContact O-CB 3.22Å; T453-R456 PolarHBondContact O-N 3.49Å; T453-R457 PolarHBondContact O-N 3.37Å |
| 454 | S | 86.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 75.6 Ų | 75.6 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -53.2 | -46.6 | -178.9 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | R456 R457 | S454-R456 PolarHBondContact O-N 3.01Å; S454-R456 VanDerWaalsContact O-N 3.12Å; S454-R457 PolarHBondContact O-N 3.41Å |
| 455 | V | 88.1 | Confident | 89 | Confident | 15 Ų | 15 | 75.5 Ų | 75.5 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -64.7 | -12.9 | 178.6 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | D330 F447 T453 L479 | D330-V455 VanDerWaalsContact OD2-CG1 3.27Å; D330-V455 WeakPolarHBondContact OD2-CG1 3.21Å; F447-V455 HydrophobicContact CD1-CG1 4.04Å; F447-V455 HydrophobicContact CE1-CG1 4.48Å; T453-V455 VanDerWaalsContact C-N 3.29Å; T453-V455 PolarHBondContact O-N 3.48Å; V455-L479 HydrophobicContact CB-CD2 4.39Å; V455-L479 HydrophobicContact CG2-CD2 3.97Å |
| 456 | R | 91.6 | Very high | 89.6 | Confident | 66 Ų | 66 | 75 Ų | 75 | 25% | 0.249 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -106.4 | -10.5 | -176.6 | -59.4 | 174.9 | 176.8 | -92.7 | 6.1 | 112.8 | T453 S454 A475 C477 G478 L479 | T453-R456 WeakPolarHBondContact O-CB 3.22Å; T453-R456 PolarHBondContact O-N 3.49Å; S454-R456 PolarHBondContact O-N 3.01Å; S454-R456 VanDerWaalsContact O-N 3.12Å; R456-A475 PolarHBondContact NH1-O 2.94Å; R456-A475 PolarHBondContact NH2-O 3.08Å; R456-C477 PolarHBondContact NH1-O 2.92Å; R456-G478 WeakPolarHBondContact O-CA 3.34Å; R456-L479 HydrophobicContact CG-CD2 4.08Å; R456-L479 HydrophobicContact CG-CG 4.17Å |
| 457 | R | 92.5 | Very high | 90.4 | Very high | 174 Ų | 174 | 70.4 Ų | 70.4 | 66% | 0.657 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -74.9 | 138.7 | -177.4 | -72.6 | -178.6 | 179.1 | -172.4 | -2.3 | 110.1 | T453 S454 | T453-R457 PolarHBondContact O-N 3.37Å; S454-R457 PolarHBondContact O-N 3.41Å |
| 458 | L | 94 | Very high | 91 | Very high | 110 Ų | 110 | 71.9 Ų | 71.9 | 58% | 0.576 | 35% | 0.354 | S | S | * | . | trans | -71.6 | 127.5 | 164.6 | 179.2 | 66.6 | 0 | 0 | 0 | 108 | A462 P468 | L458-A462 HydrophobicContact CD1-CB 3.93Å; L458-P468 HydrophobicContact CD1-CB 4.49Å; L458-P468 HydrophobicContact CD2-CB 3.56Å | ||
| 459 | L | 95 | Very high | 91.6 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | trans | -111.5 | 149.1 | 179.7 | -61.8 | 175.8 | 0 | 0 | 0 | 110.2 | N331 E461 A462 | N331-L459 HydrophobicContact CB-CD1 4.48Å; L459-E461 VanDerWaalsContact CB-OE2 3.26Å; L459-E461 WeakPolarHBondContact CB-OE2 3.41Å; L459-E461 PolarHBondContact O-N 3.27Å; L459-A462 WeakPolarHBondContact O-CB 3.39Å; L459-A462 PolarHBondContact O-N 3.08Å | ||
| 460 | P | 95.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.1 | -178.9 | -25.6 | 35.2 | 0 | 0 | 0 | 114.2 | A462 W463 | P460-A462 PolarHBondContact O-N 3.4Å; P460-A462 VanDerWaalsContact O-N 3.11Å; P460-W463 WeakPolarHBondContact O-CB 3.45Å; P460-W463 PolarHBondContact O-N 3Å |
| 461 | E | 94.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -64.6 | -15.9 | 178.3 | -55.8 | 89.4 | 156.8 | 0 | 0 | 112.5 | N331 P332 L459 W463 V625 | N331-E461 VanDerWaalsContact ND2-CD 3.28Å; N331-E461 PolarHBondContact ND2-OE1 3.32Å; N331-E461 WeakPolarHBondContact OD1-CB 3.31Å; N331-E461 WeakPolarHBondContact OD1-CG 3.09Å; P332-E461 HydrophobicContact CB-CB 4.38Å; P332-E461 HydrophobicContact CG-CB 4.47Å; L459-E461 VanDerWaalsContact CB-OE2 3.26Å; L459-E461 WeakPolarHBondContact CB-OE2 3.41Å; L459-E461 PolarHBondContact O-N 3.27Å; E461-W463 PolarHBondContact O-N 3.28Å; E461-V625 HydrophobicContact CB-CG2 4.28Å; E461-V625 HydrophobicContact CG-CG2 3.62Å |
| 462 | A | 95.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -74.8 | -10.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P332 L458 L459 P460 G464 F465 F466 | P332-A462 HydrophobicContact CG-CB 4.13Å; L458-A462 HydrophobicContact CD1-CB 3.93Å; L459-A462 WeakPolarHBondContact O-CB 3.39Å; L459-A462 PolarHBondContact O-N 3.08Å; P460-A462 PolarHBondContact O-N 3.4Å; P460-A462 VanDerWaalsContact O-N 3.11Å; A462-G464 PolarHBondContact O-N 2.96Å; A462-F465 PolarHBondContact O-N 3.13Å; A462-F466 HydrophobicContact CB-CB 4.24Å; A462-F466 HydrophobicContact CB-CD2 3.86Å; A462-F466 PolarHBondContact O-N 2.99Å |
| 463 | W | 96.7 | Very high | 94 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 128.4 | -175.9 | 179.1 | -87 | 0 | 0 | 0 | 112 | P460 E461 F465 Q624 V631 E648 I654 | P460-W463 WeakPolarHBondContact O-CB 3.45Å; P460-W463 PolarHBondContact O-N 3Å; E461-W463 PolarHBondContact O-N 3.28Å; W463-F465 VanDerWaalsContact O-CD2 3.3Å; W463-F465 WeakPolarHBondContact O-CD2 3.16Å; W463-F465 PolarHBondContact O-N 3.37Å; W463-Q624 PolarHBondContact O-NE2 3.12Å; W463-Q624 PolarHBondContact O-OE1 3.16Å; W463-V631 HydrophobicContact CZ2-CG2 3.81Å; W463-E648 PolarHBondContact NE1-OE1 3.43Å; W463-I654 HydrophobicContact CD2-CG2 4.17Å; W463-I654 HydrophobicContact CH2-CD1 4.23Å; W463-I654 HydrophobicContact CH2-CG2 4.1Å; W463-I654 HydrophobicContact CZ2-CG2 3.62Å; W463-I654 HydrophobicContact CZ3-CD1 4.47Å |
| 464 | G | 95.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | -6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A462 A484 V487 | A462-G464 PolarHBondContact O-N 2.96Å; G464-A484 WeakPolarHBondContact O-CB 3.49Å; G464-V487 WeakPolarHBondContact O-CG2 3.15Å |
| 465 | F | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -51.5 | 177.6 | -68.5 | -75.3 | 0 | 0 | 0 | 112.5 | A462 W463 L483 A484 V487 L597 R599 G620 T621 Q624 | A462-F465 PolarHBondContact O-N 3.13Å; W463-F465 VanDerWaalsContact O-CD2 3.3Å; W463-F465 WeakPolarHBondContact O-CD2 3.16Å; W463-F465 PolarHBondContact O-N 3.37Å; F465-L483 WeakPolarHBondContact O-CA 3.4Å; F465-A484 PolarHBondContact O-N 2.64Å; F465-V487 HydrophobicContact CD1-CG1 4.33Å; F465-V487 HydrophobicContact CD1-CG2 4.37Å; F465-L597 HydrophobicContact CD1-CB 4Å; F465-L597 HydrophobicContact CE1-CB 4.34Å; F465-R599 HydrophobicContact CD1-CB 4.32Å; F465-R599 HydrophobicContact CD1-CG 4.47Å; F465-R599 HydrophobicContact CE1-CB 3.91Å; F465-R599 HydrophobicContact CE1-CG 3.81Å; F465-R599 HydrophobicContact CE2-CG 4.35Å; F465-R599 HydrophobicContact CZ-CB 4.35Å; F465-R599 HydrophobicContact CZ-CG 3.72Å; F465-G620 WeakPolarHBondContact CZ-O 3.39Å; F465-T621 HydrophobicContact CB-CG2 4.38Å; F465-T621 HydrophobicContact CD1-CG2 3.69Å; F465-T621 HydrophobicContact CD2-CG2 3.74Å; F465-T621 HydrophobicContact CE1-CG2 3.81Å; F465-T621 HydrophobicContact CE2-CG2 3.85Å; F465-T621 HydrophobicContact CG-CG2 3.67Å; F465-T621 HydrophobicContact CZ-CG2 3.9Å; F465-Q624 HydrophobicContact CE2-CB 4.22Å; F465-Q624 VanDerWaalsContact CE2-OE1 3.22Å |
| 466 | F | 96.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 137 | 174.5 | -57.9 | -62.9 | 0 | 0 | 0 | 109.8 | I146 P332 V441 A462 P468 N481 L483 L597 | I146-F466 HydrophobicContact CD1-CZ 4.15Å; P332-F466 HydrophobicContact CB-CE2 4.11Å; P332-F466 HydrophobicContact CG-CD2 4.4Å; P332-F466 HydrophobicContact CG-CE2 4.14Å; V441-F466 HydrophobicContact CB-CE1 4.3Å; V441-F466 HydrophobicContact CG1-CE1 4.33Å; V441-F466 HydrophobicContact CG2-CE1 4.44Å; A462-F466 HydrophobicContact CB-CB 4.24Å; A462-F466 HydrophobicContact CB-CD2 3.86Å; A462-F466 PolarHBondContact O-N 2.99Å; F466-P468 WeakPolarHBondContact O-CD 3.41Å; F466-N481 HydrophobicContact CD1-CB 4.44Å; F466-L483 HydrophobicContact CD1-CD2 3.96Å; F466-L483 HydrophobicContact CE1-CD2 3.76Å; F466-L597 HydrophobicContact CE1-CD1 4.08Å; F466-L597 HydrophobicContact CZ-CD1 3.92Å |
| 467 | C | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | trans | -69.5 | 123.1 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | V469 H470 H482 S656 A659 | C467-V469 PolarHBondContact O-N 3.25Å; C467-H470 HydrophobicContact CB-CB 3.94Å; C467-H470 PolarHBondContact O-N 2.86Å; C467-H470 VanDerWaalsContact SG-CB 3.55Å; C467-H470 PolarHBondContact SG-N 2.74Å; C467-H482 PolarHBondContact N-O 2.89Å; C467-S656 PolarHBondContact SG-N 2.96Å; C467-A659 VanDerWaalsContact SG-CB 3.59Å | ||
| 468 | P | 96 | Very high | 94.4 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.7 | -20.5 | -177.2 | 27.5 | -35.1 | 0 | 0 | 0 | 112.9 | L458 F466 | L458-P468 HydrophobicContact CD1-CB 4.49Å; L458-P468 HydrophobicContact CD2-CB 3.56Å; F466-P468 WeakPolarHBondContact O-CD 3.41Å |
| 469 | V | 95.7 | Very high | 94.4 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -95.1 | -31.9 | -176.6 | 174 | 0 | 0 | 0 | 0 | 112.7 | C467 T471 F655 A659 N673 M674 | C467-V469 PolarHBondContact O-N 3.25Å; V469-T471 PolarHBondContact O-N 3.12Å; V469-F655 HydrophobicContact CG2-CD1 4.24Å; V469-F655 HydrophobicContact CG2-CE1 3.84Å; V469-A659 HydrophobicContact CB-CB 4.35Å; V469-A659 HydrophobicContact CG1-CB 4.34Å; V469-N673 HydrophobicContact CG1-CB 3.44Å; V469-N673 VanDerWaalsContact CG1-CB 3.44Å; V469-N673 WeakPolarHBondContact CG1-O 3.42Å; V469-N673 HydrophobicContact CG2-CB 4.27Å; V469-M674 WeakPolarHBondContact O-CA 3.36Å; V469-M674 WeakPolarHBondContact O-CB 3.48Å; V469-M674 WeakPolarHBondContact O-CG 3.41Å |
| 470 | H | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | trans | -95.6 | 68 | -161.8 | -167 | -176.2 | 0 | 0 | 0 | 111.7 | C467 H482 S656 A659 K681 | C467-H470 HydrophobicContact CB-CB 3.94Å; C467-H470 PolarHBondContact O-N 2.86Å; C467-H470 VanDerWaalsContact SG-CB 3.55Å; C467-H470 PolarHBondContact SG-N 2.74Å; H470-H482 HydrophobicContact CB-CB 4.21Å; H470-H482 AromaticContact CD2-CE1 3.65Å; H470-H482 AromaticContact CD2-CG 3.96Å; H470-H482 AromaticContact CD2-ND1 3.47Å; H470-H482 PolarHBondContact CD2-ND1 3.27Å; H470-H482 AromaticContact CE1-CD2 3.42Å; H470-H482 PolarHBondContact CE1-CD2 2.85Å; H470-H482 VanDerWaalsContact CE1-CD2 3.42Å; H470-H482 AromaticContact CE1-CE1 3.84Å; H470-H482 AromaticContact CE1-CG 3.51Å; H470-H482 AromaticContact CE1-ND1 3.75Å; H470-H482 AromaticContact CE1-NE2 3.62Å; H470-H482 AromaticContact CG-CG 3.66Å; H470-H482 AromaticContact CG-ND1 3.5Å; H470-H482 AromaticContact ND1-CD2 3.75Å; H470-H482 AromaticContact ND1-CG 3.37Å; H470-H482 AromaticContact ND1-ND1 3.68Å; H470-H482 AromaticContact NE2-CD2 3.84Å; H470-H482 AromaticContact NE2-CE1 3.47Å; H470-H482 PolarHBondContact NE2-CE1 3.42Å; H470-H482 AromaticContact NE2-CG 3.89Å; H470-H482 AromaticContact NE2-ND1 3.65Å; H470-H482 AromaticContact NE2-NE2 3.56Å; H470-H482 PolarHBondContact O-ND1 3.07Å; H470-S656 VanDerWaalsContact CB-OG 3.31Å; H470-S656 WeakPolarHBondContact CB-OG 3.12Å; H470-S656 PolarHBondContact ND1-OG 3.05Å; H470-A659 HydrophobicContact CB-CB 4.49Å; H470-K681 PolarHBondContact NE2-NZ 3.2Å | ||
| 471 | T | 96.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | trans | -120.3 | 143.2 | 167 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | V469 G478 M674 | V469-T471 PolarHBondContact O-N 3.12Å; T471-G478 PolarHBondContact OG1-N 2.89Å; T471-M674 HydrophobicContact CG2-CG 4.2Å; T471-M674 HydrophobicContact CG2-SD 3.68Å; T471-M674 WeakPolarHBondContact O-CG 3.23Å | ||
| 472 | P | 94 | Very high | 94.5 | Very high | 17 Ų | 17 | 29 Ų | 29 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | trans | -66 | 156.8 | 168.6 | 32.5 | -37.7 | 0 | 0 | 0 | 111 | P476 C477 L480 | P472-P476 HydrophobicContact CB-CG 4.1Å; P472-P476 HydrophobicContact CG-CB 3.87Å; P472-P476 HydrophobicContact CG-CG 3.6Å; P472-C477 VanDerWaalsContact O-CA 3.3Å; P472-C477 WeakPolarHBondContact O-CA 3.36Å; P472-C477 WeakPolarHBondContact O-CB 3.31Å; P472-L480 WeakPolarHBondContact CD-O 3.48Å; P472-L480 HydrophobicContact CG-CB 4.08Å; P472-L480 HydrophobicContact CG-CD2 4.15Å; P472-L480 HydrophobicContact CG-CG 4.43Å | ||
| 473 | D | 91.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 28.8 Ų | 28.8 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -77.6 | 171.3 | 166.9 | 73.6 | -12.5 | 0 | 0 | 0 | 112.3 | Y675 Q678 | D473-Y675 HydrophobicContact CB-CE1 4.15Å; D473-Q678 VanDerWaalsContact OD1-CD 3.23Å; D473-Q678 PolarHBondContact OD1-NE2 3.29Å; D473-Q678 PolarHBondContact OD1-OE1 3.07Å |
| 474 | G | 89.6 | Confident | 94.6 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 57% | 0.567 | 16% | 0.163 | S | C | * | . | S | Bend | trans | 78.8 | -149.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P476 C477 | G474-P476 VanDerWaalsContact C-CD 3.43Å; G474-C477 WeakPolarHBondContact O-CB 3.43Å; G474-C477 PolarHBondContact O-N 2.79Å |
| 475 | A | 87.3 | Confident | 94.5 | Very high | 82 Ų | 82 | 23.9 Ų | 23.9 | 68% | 0.678 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | R456 C477 | R456-A475 PolarHBondContact NH1-O 2.94Å; R456-A475 PolarHBondContact NH2-O 3.08Å; A475-C477 VanDerWaalsContact C-N 3.33Å |
| 476 | P | 91.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 24.9 Ų | 24.9 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.5 | 177 | 30.7 | -32.6 | 0 | 0 | 0 | 114.9 | P472 G474 G478 L479 L480 | P472-P476 HydrophobicContact CB-CG 4.1Å; P472-P476 HydrophobicContact CG-CB 3.87Å; P472-P476 HydrophobicContact CG-CG 3.6Å; G474-P476 VanDerWaalsContact C-CD 3.43Å; P476-G478 PolarHBondContact O-N 2.99Å; P476-L479 PolarHBondContact O-N 3.28Å; P476-L480 HydrophobicContact CB-CB 4.29Å; P476-L480 PolarHBondContact O-N 3.1Å; P476-L480 VanDerWaalsContact O-N 3.14Å |
| 477 | C | 93.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 24.3 Ų | 24.3 | 32% | 0.324 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.7 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 112 | R456 P472 G474 A475 L479 | R456-C477 PolarHBondContact NH1-O 2.92Å; P472-C477 VanDerWaalsContact O-CA 3.3Å; P472-C477 WeakPolarHBondContact O-CA 3.36Å; P472-C477 WeakPolarHBondContact O-CB 3.31Å; G474-C477 WeakPolarHBondContact O-CB 3.43Å; G474-C477 PolarHBondContact O-N 2.79Å; A475-C477 VanDerWaalsContact C-N 3.33Å; C477-L479 PolarHBondContact O-N 3.06Å |
| 478 | G | 92.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -13.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R456 T471 P476 N481 | R456-G478 WeakPolarHBondContact O-CA 3.34Å; T471-G478 PolarHBondContact OG1-N 2.89Å; P476-G478 PolarHBondContact O-N 2.99Å; G478-N481 PolarHBondContact O-ND2 3.37Å |
| 479 | L | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -31.2 | 178.5 | -63.1 | 179.3 | 0 | 0 | 0 | 112.9 | H442 R443 F447 T448 V455 R456 P476 C477 | H442-L479 WeakPolarHBondContact CA-O 3.5Å; R443-L479 HydrophobicContact CB-CD2 4.03Å; R443-L479 HydrophobicContact CG-CD2 4.28Å; R443-L479 PolarHBondContact N-O 2.95Å; F447-L479 HydrophobicContact CB-CD2 4.07Å; T448-L479 HydrophobicContact CG2-CD1 3.69Å; V455-L479 HydrophobicContact CB-CD2 4.39Å; V455-L479 HydrophobicContact CG2-CD2 3.97Å; R456-L479 HydrophobicContact CG-CD2 4.08Å; R456-L479 HydrophobicContact CG-CG 4.17Å; P476-L479 PolarHBondContact O-N 3.28Å; C477-L479 PolarHBondContact O-N 3.06Å |
| 480 | L | 94.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 23.7 Ų | 23.7 | 17% | 0.173 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 94 | 175.2 | -179.7 | 61.2 | 0 | 0 | 0 | 109.4 | A440 H442 P472 P476 | A440-L480 HydrophobicContact CB-CD1 4.02Å; H442-L480 HydrophobicContact CB-CD1 4.25Å; P472-L480 WeakPolarHBondContact CD-O 3.48Å; P472-L480 HydrophobicContact CG-CB 4.08Å; P472-L480 HydrophobicContact CG-CD2 4.15Å; P472-L480 HydrophobicContact CG-CG 4.43Å; P476-L480 HydrophobicContact CB-CB 4.29Å; P476-L480 PolarHBondContact O-N 3.1Å; P476-L480 VanDerWaalsContact O-N 3.14Å |
| 481 | N | 95.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 24.8 Ų | 24.8 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 168.8 | 179.1 | -59.6 | -42 | 0 | 0 | 0 | 110 | A440 V441 F466 G478 | A440-N481 WeakPolarHBondContact CA-O 3.44Å; V441-N481 PolarHBondContact N-O 3.26Å; V441-N481 PolarHBondContact O-N 3.02Å; V441-N481 VanDerWaalsContact O-O 3.1Å; F466-N481 HydrophobicContact CD1-CB 4.44Å; G478-N481 PolarHBondContact O-ND2 3.37Å |
| 482 | H | 97.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.3 | 174.6 | -59.8 | 68.9 | 0 | 0 | 0 | 109.3 | A436 R439 C467 H470 | A436-H482 PolarHBondContact O-CD2 3.06Å; R439-H482 CarbonylContact O-C 3.56Å; R439-H482 VanDerWaalsContact O-CA 3.3Å; R439-H482 WeakPolarHBondContact O-CA 3.01Å; C467-H482 PolarHBondContact N-O 2.89Å; H470-H482 HydrophobicContact CB-CB 4.21Å; H470-H482 AromaticContact CD2-CE1 3.65Å; H470-H482 AromaticContact CD2-CG 3.96Å; H470-H482 AromaticContact CD2-ND1 3.47Å; H470-H482 PolarHBondContact CD2-ND1 3.27Å; H470-H482 AromaticContact CE1-CD2 3.42Å; H470-H482 PolarHBondContact CE1-CD2 2.85Å; H470-H482 VanDerWaalsContact CE1-CD2 3.42Å; H470-H482 AromaticContact CE1-CE1 3.84Å; H470-H482 AromaticContact CE1-CG 3.51Å; H470-H482 AromaticContact CE1-ND1 3.75Å; H470-H482 AromaticContact CE1-NE2 3.62Å; H470-H482 AromaticContact CG-CG 3.66Å; H470-H482 AromaticContact CG-ND1 3.5Å; H470-H482 AromaticContact ND1-CD2 3.75Å; H470-H482 AromaticContact ND1-CG 3.37Å; H470-H482 AromaticContact ND1-ND1 3.68Å; H470-H482 AromaticContact NE2-CD2 3.84Å; H470-H482 AromaticContact NE2-CE1 3.47Å; H470-H482 PolarHBondContact NE2-CE1 3.42Å; H470-H482 AromaticContact NE2-CG 3.89Å; H470-H482 AromaticContact NE2-ND1 3.65Å; H470-H482 AromaticContact NE2-NE2 3.56Å; H470-H482 PolarHBondContact O-ND1 3.07Å |
| 483 | L | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -60.8 | 142.7 | 174.3 | -62.7 | 176.9 | 0 | 0 | 0 | 110 | L144 R439 V441 F465 F466 V487 L597 S656 | L144-L483 HydrophobicContact CD1-CD1 4.25Å; R439-L483 PolarHBondContact O-N 3.01Å; V441-L483 HydrophobicContact CG2-CD1 4.15Å; V441-L483 HydrophobicContact CG2-CD2 3.7Å; V441-L483 HydrophobicContact CG2-CG 3.63Å; F465-L483 WeakPolarHBondContact O-CA 3.4Å; F466-L483 HydrophobicContact CD1-CD2 3.96Å; F466-L483 HydrophobicContact CE1-CD2 3.76Å; L483-V487 HydrophobicContact CB-CB 4.38Å; L483-V487 HydrophobicContact CD1-CG1 4.4Å; L483-V487 HydrophobicContact CD2-CG1 4.15Å; L483-L597 HydrophobicContact CD1-CD2 4.28Å; L483-L597 HydrophobicContact CD2-CD1 3.85Å; L483-L597 HydrophobicContact CD2-CD2 3.93Å; L483-S656 WeakPolarHBondContact O-CB 3.23Å |
| 484 | A | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -59.9 | 157 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | R439 G464 F465 V487 N653 | R439-A484 PolarHBondContact NH2-O 3.39Å; G464-A484 WeakPolarHBondContact O-CB 3.49Å; F465-A484 PolarHBondContact O-N 2.64Å; A484-V487 HydrophobicContact CB-CG2 3.83Å; A484-V487 PolarHBondContact O-N 2.89Å; A484-N653 WeakPolarHBondContact CB-O 3.46Å | ||
| 485 | E | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -49.3 | -170.1 | -175.1 | -92.2 | 167.2 | 0 | 0 | 115.1 | R439 V487 F655 M714 K717 Y718 | R439-E485 PolarHBondContact NH2-O 2.91Å; E485-V487 PolarHBondContact O-N 2.91Å; E485-F655 PolarHBondContact N-O 3.48Å; E485-M714 HydrophobicContact CB-CE 3.71Å; E485-M714 HydrophobicContact CB-SD 4.24Å; E485-M714 HydrophobicContact CG-CE 3.73Å; E485-M714 HydrophobicContact CG-SD 3.64Å; E485-K717 VanDerWaalsContact OE1-CE 3.31Å; E485-K717 WeakPolarHBondContact OE1-CE 3.41Å; E485-K717 IonicContact OE1-NZ 2.89Å; E485-K717 PolarHBondContact OE1-NZ 3.47Å; E485-K717 IonicContact OE2-NZ 3.91Å; E485-K717 PolarHBondContact OE2-NZ 3.42Å; E485-Y718 HydrophobicContact CG-CE2 3.71Å; E485-Y718 WeakPolarHBondContact CG-OH 3.4Å; E485-Y718 VanDerWaalsContact OE1-CE2 3.23Å; E485-Y718 WeakPolarHBondContact OE1-CE2 3.15Å; E485-Y718 VanDerWaalsContact OE1-CZ 3.26Å; E485-Y718 PolarHBondContact OE1-OH 2.99Å |
| 486 | P | 95.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -4.4 | -172.5 | 34.5 | -39 | 0 | 0 | 0 | 113.4 | P600 N653 | P486-P600 HydrophobicContact CB-CG 3.76Å; P486-N653 WeakPolarHBondContact CD-O 3.12Å; P486-N653 HydrophobicContact CG-CB 3.87Å |
| 487 | V | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -66.8 | 134.3 | -176.9 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | R439 G464 F465 L483 A484 E485 L597 L598 R599 | R439-V487 PolarHBondContact NH1-O 3.04Å; R439-V487 PolarHBondContact NH2-O 3.33Å; G464-V487 WeakPolarHBondContact O-CG2 3.15Å; F465-V487 HydrophobicContact CD1-CG1 4.33Å; F465-V487 HydrophobicContact CD1-CG2 4.37Å; L483-V487 HydrophobicContact CB-CB 4.38Å; L483-V487 HydrophobicContact CD1-CG1 4.4Å; L483-V487 HydrophobicContact CD2-CG1 4.15Å; A484-V487 HydrophobicContact CB-CG2 3.83Å; A484-V487 PolarHBondContact O-N 2.89Å; E485-V487 PolarHBondContact O-N 2.91Å; V487-L597 HydrophobicContact CG1-CB 4.28Å; V487-L597 HydrophobicContact CG1-CD2 4.03Å; V487-L598 WeakPolarHBondContact CA-O 3.36Å; V487-R599 HydrophobicContact CG2-CB 4.2Å | ||
| 488 | E | 94.9 | Very high | 92.8 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 158.7 | 171.8 | -68.5 | -79.9 | -156.3 | 0 | 0 | 108.9 | R6 L598 W618 | R6-E488 WeakPolarHBondContact CD-OE1 3.47Å; R6-E488 IonicContact NH1-OE1 3.14Å; R6-E488 PolarHBondContact NH1-OE1 2.81Å; E488-L598 PolarHBondContact N-O 3.46Å; E488-L598 PolarHBondContact O-N 3.2Å; E488-W618 HydrophobicContact CB-CH2 4.3Å; E488-W618 HydrophobicContact CB-CZ3 4.01Å; E488-W618 HydrophobicContact CG-CH2 3.81Å; E488-W618 HydrophobicContact CG-CZ3 3.98Å |
| 489 | A | 94.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V7 L339 C491 R596 L597 | V7-A489 HydrophobicContact CG1-CB 3.75Å; V7-A489 HydrophobicContact CG2-CB 4.12Å; L339-A489 HydrophobicContact CD2-CB 3.89Å; A489-C491 PolarHBondContact O-N 3.48Å; A489-C491 PolarHBondContact O-SG 2.74Å; A489-R596 CarbonylContact C-O 3.57Å; A489-R596 VanDerWaalsContact CA-O 3.28Å; A489-R596 WeakPolarHBondContact CA-O 3.23Å; A489-L597 HydrophobicContact CB-CD2 4.13Å |
| 490 | V | 95 | Very high | 92.6 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | trans | -70.7 | 103.8 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | E492 T570 G594 S595 R596 L598 | V490-E492 WeakPolarHBondContact CG1-O 3.04Å; V490-T570 HydrophobicContact CG2-CG2 4.49Å; V490-G594 CarbonylContact O-C 3.33Å; V490-G594 WeakPolarHBondContact O-CA 3.47Å; V490-S595 PolarHBondContact O-N 3.41Å; V490-R596 HydrophobicContact CG2-CB 4.24Å; V490-R596 PolarHBondContact N-O 3.33Å; V490-L598 HydrophobicContact CG2-CD1 3.4Å; V490-L598 VanDerWaalsContact CG2-CD1 3.4Å; V490-L598 HydrophobicContact CG2-CG 3.82Å | ||
| 491 | C | 93 | Very high | 92.4 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | trans | -77.3 | -24.7 | -176.3 | -63.3 | 0 | 0 | 0 | 0 | 114 | S11 A489 | S11-C491 PolarHBondContact N-SG 2.66Å; A489-C491 PolarHBondContact O-N 3.48Å; A489-C491 PolarHBondContact O-SG 2.74Å | ||
| 492 | E | 89.1 | Confident | 92.2 | Very high | 114 Ų | 114 | 34.2 Ų | 34.2 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -103.4 | 129.4 | -175 | -61.9 | -173.6 | 172.9 | 0 | 0 | 110.9 | F14 V490 | F14-E492 HydrophobicContact CD2-CB 4.21Å; F14-E492 HydrophobicContact CD2-CG 4.14Å; V490-E492 WeakPolarHBondContact CG1-O 3.04Å |
| 493 | T | 88.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 129.4 | 169.1 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | R22 E182 | R22-T493 VanDerWaalsContact CZ-O 3.27Å; R22-T493 PolarHBondContact NH1-O 2.71Å; R22-T493 PolarHBondContact NH2-O 3.48Å; E182-T493 WeakPolarHBondContact OE1-CB 3.49Å; E182-T493 PolarHBondContact OE1-OG1 2.78Å |
| 494 | P | 89.3 | Confident | 91.4 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 149 | -179.1 | 26.4 | -34.3 | 0 | 0 | 0 | 111 | V498 L499 A592 | P494-V498 HydrophobicContact CB-CB 4.4Å; P494-L499 HydrophobicContact CB-CD2 4.35Å; P494-L499 HydrophobicContact CB-CG 4.47Å; P494-L499 HydrophobicContact CG-CD2 3.96Å; P494-L499 HydrophobicContact CG-CG 4.31Å; P494-A592 VanDerWaalsContact CD-O 3.3Å; P494-A592 WeakPolarHBondContact CD-O 3.49Å; P494-A592 HydrophobicContact CG-CB 4.16Å; P494-A592 WeakPolarHBondContact CG-O 3.32Å |
| 495 | K | 87.7 | Confident | 91 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 153.5 | 170 | -65.7 | -179.7 | -178.1 | 174.1 | 0 | 109.4 | E18 S497 V498 L499 | E18-K495 WeakPolarHBondContact OE2-CE 3.31Å; K495-S497 PolarHBondContact O-N 3.37Å; K495-S497 VanDerWaalsContact O-N 3.16Å; K495-V498 HydrophobicContact CB-CG2 4.41Å; K495-V498 WeakPolarHBondContact O-CB 3.17Å; K495-V498 PolarHBondContact O-N 3.16Å; K495-L499 PolarHBondContact O-N 2.85Å |
| 496 | Q | 85.9 | Confident | 90.8 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.1 | -38.3 | 177.4 | -164.7 | 65.5 | 15.3 | 0 | 0 | 113.2 | E180 V498 L499 E500 | E180-Q496 PolarHBondContact OE2-N 3.11Å; Q496-V498 PolarHBondContact O-N 3.09Å; Q496-L499 WeakPolarHBondContact O-CB 3.45Å; Q496-L499 PolarHBondContact O-N 3.46Å; Q496-L499 VanDerWaalsContact O-N 3.12Å; Q496-E500 WeakPolarHBondContact O-CG 3.33Å; Q496-E500 PolarHBondContact O-N 2.81Å |
| 497 | S | 88.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 43% | 0.427 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -31.1 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | K495 N501 | K495-S497 PolarHBondContact O-N 3.37Å; K495-S497 VanDerWaalsContact O-N 3.16Å; S497-N501 PolarHBondContact O-N 3.38Å; S497-N501 VanDerWaalsContact O-N 3.08Å; S497-N501 PolarHBondContact O-ND2 3.29Å; S497-N501 PolarHBondContact O-OD1 3.4Å |
| 498 | V | 88.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 47 Ų | 47 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.9 | -42.5 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | P494 K495 Q496 E500 N501 I502 | P494-V498 HydrophobicContact CB-CB 4.4Å; K495-V498 HydrophobicContact CB-CG2 4.41Å; K495-V498 WeakPolarHBondContact O-CB 3.17Å; K495-V498 PolarHBondContact O-N 3.16Å; Q496-V498 PolarHBondContact O-N 3.09Å; V498-E500 VanDerWaalsContact C-N 3.31Å; V498-E500 PolarHBondContact O-N 3.02Å; V498-N501 PolarHBondContact O-N 3.33Å; V498-I502 HydrophobicContact CG1-CD1 4.21Å; V498-I502 WeakPolarHBondContact O-CG1 3.25Å; V498-I502 PolarHBondContact O-N 3.2Å |
| 499 | L | 90.2 | Very high | 88.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.4 | -61.4 | 177.5 | 0 | 0 | 0 | 111.7 | P494 K495 Q496 I502 G503 L534 D535 A592 | P494-L499 HydrophobicContact CB-CD2 4.35Å; P494-L499 HydrophobicContact CB-CG 4.47Å; P494-L499 HydrophobicContact CG-CD2 3.96Å; P494-L499 HydrophobicContact CG-CG 4.31Å; K495-L499 PolarHBondContact O-N 2.85Å; Q496-L499 WeakPolarHBondContact O-CB 3.45Å; Q496-L499 PolarHBondContact O-N 3.46Å; Q496-L499 VanDerWaalsContact O-N 3.12Å; L499-I502 PolarHBondContact O-N 2.79Å; L499-G503 PolarHBondContact O-N 2.54Å; L499-L534 WeakPolarHBondContact O-CD2 3.35Å; L499-D535 WeakPolarHBondContact CD2-OD2 3.41Å; L499-A592 HydrophobicContact CD2-CB 3.85Å |
| 500 | E | 90.2 | Very high | 87.5 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174 | -73.6 | 170.5 | -175.2 | 0 | 0 | 111.8 | Q496 V498 I502 G503 N504 | Q496-E500 WeakPolarHBondContact O-CG 3.33Å; Q496-E500 PolarHBondContact O-N 2.81Å; V498-E500 VanDerWaalsContact C-N 3.31Å; V498-E500 PolarHBondContact O-N 3.02Å; E500-I502 PolarHBondContact O-N 2.74Å; E500-G503 PolarHBondContact O-N 3.31Å; E500-N504 WeakPolarHBondContact O-CB 3.29Å; E500-N504 PolarHBondContact O-N 3.17Å; E500-N504 PolarHBondContact O-ND2 3.16Å |
| 501 | N | 90.8 | Very high | 86.9 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176 | -71.4 | -13.8 | 0 | 0 | 0 | 112.3 | S497 V498 N504 W505 | S497-N501 PolarHBondContact O-N 3.38Å; S497-N501 VanDerWaalsContact O-N 3.08Å; S497-N501 PolarHBondContact O-ND2 3.29Å; S497-N501 PolarHBondContact O-OD1 3.4Å; V498-N501 PolarHBondContact O-N 3.33Å; N501-N504 PolarHBondContact O-N 3.24Å; N501-W505 WeakPolarHBondContact O-CB 3.23Å; N501-W505 PolarHBondContact O-N 3.26Å |
| 502 | I | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175 | -63.3 | 163.7 | 0 | 0 | 0 | 110 | V498 L499 E500 N504 W505 L506 L534 N566 P568 M571 A592 | V498-I502 HydrophobicContact CG1-CD1 4.21Å; V498-I502 WeakPolarHBondContact O-CG1 3.25Å; V498-I502 PolarHBondContact O-N 3.2Å; L499-I502 PolarHBondContact O-N 2.79Å; E500-I502 PolarHBondContact O-N 2.74Å; I502-N504 VanDerWaalsContact C-N 3.33Å; I502-N504 PolarHBondContact O-N 3.09Å; I502-W505 PolarHBondContact O-N 3.42Å; I502-L506 HydrophobicContact CG2-CD1 3.98Å; I502-L506 HydrophobicContact CG2-CG 4.4Å; I502-L506 WeakPolarHBondContact O-CB 3.33Å; I502-L506 VanDerWaalsContact O-CG 3.31Å; I502-L506 WeakPolarHBondContact O-CG 3.3Å; I502-L506 PolarHBondContact O-N 2.54Å; I502-L534 HydrophobicContact CB-CD2 3.86Å; I502-L534 HydrophobicContact CG2-CD1 3.91Å; I502-L534 HydrophobicContact CG2-CD2 3.71Å; I502-L534 HydrophobicContact CG2-CG 4.47Å; I502-N566 WeakPolarHBondContact CG1-O 3.26Å; I502-P568 HydrophobicContact CD1-CG 4.3Å; I502-M571 HydrophobicContact CD1-SD 4.49Å; I502-M571 HydrophobicContact CG2-CE 3.91Å; I502-M571 HydrophobicContact CG2-SD 4.44Å; I502-A592 HydrophobicContact CD1-CB 4.49Å |
| 503 | G | 89.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L499 E500 L506 S507 | L499-G503 PolarHBondContact O-N 2.54Å; E500-G503 PolarHBondContact O-N 3.31Å; G503-L506 PolarHBondContact O-N 2.69Å; G503-S507 PolarHBondContact O-N 3.04Å; G503-S507 PolarHBondContact O-OG 3.29Å |
| 504 | N | 88.7 | Confident | 85.4 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 175.5 | -69.4 | -20.7 | 0 | 0 | 0 | 112 | E500 N501 I502 L506 S507 T508 | E500-N504 WeakPolarHBondContact O-CB 3.29Å; E500-N504 PolarHBondContact O-N 3.17Å; E500-N504 PolarHBondContact O-ND2 3.16Å; N501-N504 PolarHBondContact O-N 3.24Å; I502-N504 VanDerWaalsContact C-N 3.33Å; I502-N504 PolarHBondContact O-N 3.09Å; N504-L506 VanDerWaalsContact C-N 3.34Å; N504-S507 WeakPolarHBondContact CA-OG 3.47Å; N504-S507 PolarHBondContact O-N 3.17Å; N504-S507 PolarHBondContact O-OG 3.43Å; N504-T508 WeakPolarHBondContact O-CG2 3.38Å; N504-T508 PolarHBondContact O-N 3.43Å |
| 505 | W | 89 | Confident | 84.6 | Confident | 38 Ų | 38 | 62 Ų | 62 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.5 | -174.2 | 88.2 | 0 | 0 | 0 | 110.9 | N501 I502 S507 T508 H509 L551 L555 N566 I567 | N501-W505 WeakPolarHBondContact O-CB 3.23Å; N501-W505 PolarHBondContact O-N 3.26Å; I502-W505 PolarHBondContact O-N 3.42Å; W505-S507 PolarHBondContact O-N 3.14Å; W505-T508 PolarHBondContact O-N 2.77Å; W505-T508 PolarHBondContact O-OG1 3.26Å; W505-H509 AromaticContact CD2-ND1 3.97Å; W505-H509 AromaticContact CE2-CE1 3.4Å; W505-H509 VanDerWaalsContact CE2-CE1 3.4Å; W505-H509 AromaticContact CE2-ND1 3.81Å; W505-H509 AromaticContact CE2-NE2 3.83Å; W505-H509 AromaticContact CH2-CD2 3.7Å; W505-H509 AromaticContact CH2-CG 3.97Å; W505-H509 AromaticContact CH2-NE2 3.75Å; W505-H509 AromaticContact CZ2-CD2 3.81Å; W505-H509 AromaticContact CZ2-CE1 3.43Å; W505-H509 VanDerWaalsContact CZ2-CE1 3.43Å; W505-H509 WeakPolarHBondContact CZ2-CE1 3.35Å; W505-H509 AromaticContact CZ2-ND1 3.94Å; W505-H509 AromaticContact CZ2-NE2 3.34Å; W505-H509 VanDerWaalsContact CZ2-NE2 3.34Å; W505-H509 WeakPolarHBondContact CZ2-NE2 3.4Å; W505-H509 AromaticContact NE1-CE1 3.61Å; W505-H509 PolarHBondContact O-ND1 2.93Å; W505-L551 HydrophobicContact CZ3-CD1 4.5Å; W505-L555 HydrophobicContact CE3-CD2 4.18Å; W505-L555 HydrophobicContact CH2-CD2 4.06Å; W505-L555 HydrophobicContact CZ3-CD2 3.44Å; W505-L555 VanDerWaalsContact CZ3-CD2 3.44Å; W505-L555 HydrophobicContact CZ3-CG 4.3Å; W505-N566 HydrophobicContact CG-CB 4.44Å; W505-I567 HydrophobicContact CD2-CD1 4.18Å; W505-I567 HydrophobicContact CE3-CD1 4Å; W505-I567 HydrophobicContact CH2-CD1 3.88Å; W505-I567 HydrophobicContact CZ2-CD1 4.03Å; W505-I567 HydrophobicContact CZ3-CD1 3.87Å |
| 506 | L | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.8 | -76 | 170.5 | 0 | 0 | 0 | 112.2 | I502 G503 N504 T508 H509 L511 I539 L551 L555 L590 | I502-L506 HydrophobicContact CG2-CD1 3.98Å; I502-L506 HydrophobicContact CG2-CG 4.4Å; I502-L506 WeakPolarHBondContact O-CB 3.33Å; I502-L506 VanDerWaalsContact O-CG 3.31Å; I502-L506 WeakPolarHBondContact O-CG 3.3Å; I502-L506 PolarHBondContact O-N 2.54Å; G503-L506 PolarHBondContact O-N 2.69Å; N504-L506 VanDerWaalsContact C-N 3.34Å; L506-T508 PolarHBondContact O-N 3.14Å; L506-H509 PolarHBondContact O-N 2.59Å; L506-L511 HydrophobicContact CB-CD1 3.72Å; L506-L511 VanDerWaalsContact O-CD1 3.28Å; L506-L511 WeakPolarHBondContact O-CD1 3.29Å; L506-L511 WeakPolarHBondContact O-CG 3.33Å; L506-I539 HydrophobicContact CB-CG2 3.99Å; L506-I539 HydrophobicContact CD1-CG1 4.36Å; L506-L551 HydrophobicContact CD2-CD2 4.5Å; L506-L555 HydrophobicContact CD2-CD1 4.34Å; L506-L555 HydrophobicContact CD2-CD2 4.11Å; L506-L590 HydrophobicContact CD1-CD1 3.6Å; L506-L590 HydrophobicContact CD2-CD1 4.04Å; L506-L590 HydrophobicContact CG-CD1 4.47Å |
| 507 | S | 82.7 | Confident | 81.5 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -26 | -180 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | G503 N504 W505 | G503-S507 PolarHBondContact O-N 3.04Å; G503-S507 PolarHBondContact O-OG 3.29Å; N504-S507 WeakPolarHBondContact CA-OG 3.47Å; N504-S507 PolarHBondContact O-N 3.17Å; N504-S507 PolarHBondContact O-OG 3.43Å; W505-S507 PolarHBondContact O-N 3.14Å |
| 508 | T | 81.8 | Confident | 79.6 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 64% | 0.638 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -75.9 | -18.5 | 172.5 | 61.4 | 0 | 0 | 0 | 0 | 114 | N504 W505 L506 K510 | N504-T508 WeakPolarHBondContact O-CG2 3.38Å; N504-T508 PolarHBondContact O-N 3.43Å; W505-T508 PolarHBondContact O-N 2.77Å; W505-T508 PolarHBondContact O-OG1 3.26Å; L506-T508 PolarHBondContact O-N 3.14Å; T508-K510 PolarHBondContact O-N 3.08Å |
| 509 | H | 77.4 | Confident | 77.3 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 58.5 | -173.4 | -79.3 | 65 | 0 | 0 | 0 | 113.5 | W505 L506 L511 L551 E554 | W505-H509 AromaticContact CD2-ND1 3.97Å; W505-H509 AromaticContact CE2-CE1 3.4Å; W505-H509 VanDerWaalsContact CE2-CE1 3.4Å; W505-H509 AromaticContact CE2-ND1 3.81Å; W505-H509 AromaticContact CE2-NE2 3.83Å; W505-H509 AromaticContact CH2-CD2 3.7Å; W505-H509 AromaticContact CH2-CG 3.97Å; W505-H509 AromaticContact CH2-NE2 3.75Å; W505-H509 AromaticContact CZ2-CD2 3.81Å; W505-H509 AromaticContact CZ2-CE1 3.43Å; W505-H509 VanDerWaalsContact CZ2-CE1 3.43Å; W505-H509 WeakPolarHBondContact CZ2-CE1 3.35Å; W505-H509 AromaticContact CZ2-ND1 3.94Å; W505-H509 AromaticContact CZ2-NE2 3.34Å; W505-H509 VanDerWaalsContact CZ2-NE2 3.34Å; W505-H509 WeakPolarHBondContact CZ2-NE2 3.4Å; W505-H509 AromaticContact NE1-CE1 3.61Å; W505-H509 PolarHBondContact O-ND1 2.93Å; L506-H509 PolarHBondContact O-N 2.59Å; H509-L511 PolarHBondContact O-N 3.07Å; H509-L551 HydrophobicContact CB-CD1 4.13Å; H509-E554 IonicContact CD2-OE2 3.89Å |
| 510 | K | 71.4 | Confident | 74.9 | Confident | 200 Ų | 200 | 78 Ų | 78 | 87% | 0.87 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 19.4 | 173.8 | -58.5 | -173.4 | -179.5 | 179.7 | 0 | 116 | T508 | T508-K510 PolarHBondContact O-N 3.08Š|
| 511 | L | 82.7 | Confident | 72.1 | Confident | 17 Ų | 17 | 83.7 Ų | 83.7 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 136.3 | 168.5 | -71.8 | 177.1 | 0 | 0 | 0 | 110 | L506 H509 V532 I539 L542 L551 | L506-L511 HydrophobicContact CB-CD1 3.72Å; L506-L511 VanDerWaalsContact O-CD1 3.28Å; L506-L511 WeakPolarHBondContact O-CD1 3.29Å; L506-L511 WeakPolarHBondContact O-CG 3.33Å; H509-L511 PolarHBondContact O-N 3.07Å; L511-V532 HydrophobicContact CD1-CG1 4.47Å; L511-V532 HydrophobicContact CD2-CB 4.2Å; L511-V532 HydrophobicContact CD2-CG2 3.58Å; L511-I539 HydrophobicContact CD1-CB 4.49Å; L511-I539 HydrophobicContact CD1-CG2 3.77Å; L511-L542 HydrophobicContact CD2-CD1 4.37Å; L511-L542 HydrophobicContact CD2-CD2 3.74Å; L511-L542 HydrophobicContact CD2-CG 3.73Å; L511-L551 HydrophobicContact CD2-CD2 3.98Å; L511-L551 HydrophobicContact CG-CD2 4.5Å |
| 512 | R | 79.9 | Confident | 69.7 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 31% | 0.309 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 134.8 | 167.7 | -70.7 | -173.1 | 178 | 164.6 | 5.2 | 108.9 | Q526 G540 W541 S543 | R512-Q526 VanDerWaalsContact NH1-OE1 3.12Å; R512-G540 VanDerWaalsContact O-CA 3.23Å; R512-G540 WeakPolarHBondContact O-CA 3.46Å; R512-W541 HydrophobicContact CB-CB 4.33Å; R512-W541 WeakPolarHBondContact CB-O 3.43Å; R512-W541 PolarHBondContact N-O 3.29Å; R512-W541 PolarHBondContact O-N 2.94Å; R512-S543 PolarHBondContact NE-OG 2.79Å; R512-S543 PolarHBondContact NH2-OG 2.96Å; R512-S543 VanDerWaalsContact NH2-OG 3.12Å |
| 513 | P | 78.7 | Confident | 67.4 | Low | 77 Ų | 77 | 89 Ų | 89 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 148.7 | 173.8 | -22.8 | 32.1 | 0 | 0 | 0 | 111.1 | E515 | P513-E515 PolarHBondContact O-N 3.29Š|
| 514 | I | 79.1 | Confident | 65.4 | Low | 27 Ų | 27 | 92.9 Ų | 92.9 | 14% | 0.138 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -61.7 | -36.1 | 174.8 | -51.1 | 165.3 | 0 | 0 | 0 | 110.5 | R233 H307 L538 I539 | R233-I514 PolarHBondContact NH1-O 3.43Å; H307-I514 HydrophobicContact CB-CG2 4.43Å; I514-L538 HydrophobicContact CD1-CG 4.47Å; I514-L538 WeakPolarHBondContact CD1-O 3.24Å; I514-L538 HydrophobicContact CG1-CG 4.37Å; I514-L538 HydrophobicContact CG2-CD2 3.83Å; I514-I539 VanDerWaalsContact CG1-O 3.29Å; I514-I539 WeakPolarHBondContact CG1-O 3.21Å |
| 515 | E | 73.7 | Confident | 63.6 | Low | 78 Ų | 78 | 92.3 Ų | 92.3 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -116.4 | 111.9 | 179.4 | -57.8 | -171.3 | 167.9 | 0 | 0 | 109.8 | K222 H307 P513 | K222-E515 WeakPolarHBondContact CE-OE1 3.36Å; K222-E515 VanDerWaalsContact NZ-CD 3.33Å; K222-E515 IonicContact NZ-OE1 3.3Å; K222-E515 PolarHBondContact NZ-OE1 3.44Å; K222-E515 IonicContact NZ-OE2 3.01Å; H307-E515 IonicContact CE1-OE1 3.01Å; H307-E515 PolarHBondContact CE1-OE1 2.7Å; H307-E515 IonicContact NE2-OE1 3.07Å; H307-E515 PolarHBondContact NE2-OE1 3.17Å; P513-E515 PolarHBondContact O-N 3.29Å |
| 516 | L | 61 | Low | 61.8 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | trans | -90.2 | 124.5 | 168 | -87.7 | 142.6 | 0 | 0 | 0 | 108.5 | R518 | L516-R518 PolarHBondContact O-N 2.82Š| ||
| 517 | S | 47.8 | Very low | 60.3 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | trans | -62.6 | 117.6 | 169.5 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | Q519 L520 | S517-Q519 PolarHBondContact O-N 2.98Å; S517-L520 PolarHBondContact O-N 3.07Å | ||
| 518 | R | 47.4 | Very low | 59.6 | Low | 136 Ų | 136 | 103.6 Ų | 103.6 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -8.3 | 179.4 | -86.3 | -173.5 | 176 | 158.6 | -5.3 | 115.4 | F225 D229 L516 L520 | F225-R518 VanDerWaalsContact CZ-NH2 3.3Å; D229-R518 IonicContact OD1-NH2 2.81Å; D229-R518 PolarHBondContact OD1-NH2 2.99Å; D229-R518 IonicContact OD2-NE 3.49Å; D229-R518 IonicContact OD2-NH2 3.8Å; D229-R518 PolarHBondContact OD2-NH2 3.36Å; L516-R518 PolarHBondContact O-N 2.82Å; R518-L520 PolarHBondContact O-N 2.92Å |
| 519 | Q | 42.1 | Very low | 59.5 | Low | 174 Ų | 174 | 99.5 Ų | 99.5 | 81% | 0.813 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.9 | 178 | -72 | -176.8 | -15.7 | 0 | 0 | 114.6 | S517 | S517-Q519 PolarHBondContact O-N 2.98Š|
| 520 | L | 38.3 | Very low | 60 | Low | 136 Ų | 136 | 96.6 Ų | 96.6 | 71% | 0.712 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -101.8 | 101.8 | 171.1 | -74 | 160.9 | 0 | 0 | 0 | 110.4 | S517 R518 | S517-L520 PolarHBondContact O-N 3.07Å; R518-L520 PolarHBondContact O-N 2.92Å |
| 521 | F | 32.9 | Very low | 61 | Low | 199 Ų | 199 | 87.2 Ų | 87.2 | 87% | 0.873 | 47% | 0.47 | S | S | * | . | trans | -50.7 | 147.1 | 179.2 | -74.8 | -99.4 | 0 | 0 | 0 | 115.1 | V523 | F521-V523 PolarHBondContact O-N 3.21Š| ||
| 522 | G | 39.9 | Very low | 61.5 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 89% | 0.887 | 47% | 0.466 | S | S | * | . | trans | 81.6 | -2.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | A524 | G522-A524 PolarHBondContact O-N 3.36Š| ||
| 523 | V | 43 | Very low | 62.2 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 70% | 0.703 | 45% | 0.452 | S | S | * | . | trans | -85.1 | 102.8 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | F521 E525 | F521-V523 PolarHBondContact O-N 3.21Å; V523-E525 PolarHBondContact O-N 2.81Å | ||
| 524 | A | 46.3 | Very low | 63 | Low | 83 Ų | 83 | 79.2 Ų | 79.2 | 69% | 0.686 | 43% | 0.429 | S | S | * | . | trans | -50.2 | 128.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G522 Q526 | G522-A524 PolarHBondContact O-N 3.36Å; A524-Q526 PolarHBondContact O-N 3.49Å | ||
| 525 | E | 51 | Low | 63.7 | Low | 84 Ų | 84 | 78.3 Ų | 78.3 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | trans | -53.8 | 114.2 | 173.8 | -87.1 | -163 | 141.6 | 0 | 0 | 108 | R233 V523 Q527 | R233-E525 WeakPolarHBondContact CG-OE1 3.37Å; V523-E525 PolarHBondContact O-N 2.81Å; E525-Q527 PolarHBondContact O-N 3Å; E525-Q527 VanDerWaalsContact O-N 3.15Å | ||
| 526 | Q | 52.2 | Low | 64.7 | Low | 92 Ų | 92 | 74.7 Ų | 74.7 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | trans | -64 | 122 | 178.1 | -85.4 | -175.9 | -38.4 | 0 | 0 | 108.7 | R512 A524 | R512-Q526 VanDerWaalsContact NH1-OE1 3.12Å; A524-Q526 PolarHBondContact O-N 3.49Å | ||
| 527 | Q | 57.6 | Low | 66.3 | Low | 135 Ų | 135 | 73.1 Ų | 73.1 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.8 | 174.2 | -64.6 | -178.4 | -12.4 | 0 | 0 | 109.5 | E525 | E525-Q527 PolarHBondContact O-N 3Å; E525-Q527 VanDerWaalsContact O-N 3.15Å |
| 528 | N | 66.6 | Low | 68.5 | Low | 115 Ų | 115 | 69.7 Ų | 69.7 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 43.5 | 174.1 | -56.5 | -26 | 0 | 0 | 0 | 116.1 | L530 | N528-L530 PolarHBondContact O-N 2.81Š|
| 529 | A | 79.8 | Confident | 70.6 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -68 | 131.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G234 W541 L542 | G234-A529 PolarHBondContact O-N 2.76Å; A529-W541 HydrophobicContact CB-CB 4.34Å; A529-W541 HydrophobicContact CB-CE3 4.02Å; A529-L542 CarbonylContact C-O 3.57Å; A529-L542 WeakPolarHBondContact CA-O 3.18Å |
| 530 | L | 88.4 | Confident | 72.9 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.9 | -179 | -76 | 159.2 | 0 | 0 | 0 | 110.5 | N528 W541 L542 L545 A548 P586 | N528-L530 PolarHBondContact O-N 2.81Å; L530-W541 WeakPolarHBondContact O-CA 3.47Å; L530-L542 HydrophobicContact CB-CB 4.22Å; L530-L542 PolarHBondContact N-O 2.83Å; L530-L542 PolarHBondContact O-N 3.4Å; L530-L545 HydrophobicContact CD1-CB 4.33Å; L530-L545 HydrophobicContact CD1-CD1 4.13Å; L530-A548 HydrophobicContact CD1-CB 3.95Å; L530-P586 HydrophobicContact CD2-CB 3.74Å; L530-P586 HydrophobicContact CD2-CG 4.48Å |
| 531 | P | 92.2 | Very high | 75.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 143.1 | 177.9 | 27.8 | -30.6 | 0 | 0 | 0 | 111.2 | F311 L533 L538 W541 Y585 P586 G587 L588 | F311-P531 HydrophobicContact CD2-CB 4.37Å; F311-P531 HydrophobicContact CD2-CG 4.38Å; F311-P531 HydrophobicContact CE2-CB 4.15Å; F311-P531 HydrophobicContact CE2-CG 3.74Å; P531-L533 HydrophobicContact CB-CD1 3.81Å; P531-L533 HydrophobicContact CG-CD1 4.31Å; P531-L538 HydrophobicContact CB-CD1 3.88Å; P531-W541 HydrophobicContact CB-CE3 3.89Å; P531-W541 HydrophobicContact CB-CH2 4.02Å; P531-W541 HydrophobicContact CB-CZ3 3.55Å; P531-W541 HydrophobicContact CG-CZ3 4.06Å; P531-Y585 HydrophobicContact CG-CE1 4.29Å; P531-P586 WeakPolarHBondContact CD-O 3.49Å; P531-G587 WeakPolarHBondContact O-CA 3.47Å; P531-L588 PolarHBondContact O-N 3.32Å |
| 532 | V | 94.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.6 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | L511 I539 G540 L542 L588 L590 | L511-V532 HydrophobicContact CD1-CG1 4.47Å; L511-V532 HydrophobicContact CD2-CB 4.2Å; L511-V532 HydrophobicContact CD2-CG2 3.58Å; V532-I539 PolarHBondContact O-N 2.87Å; V532-G540 PolarHBondContact N-O 3.41Å; V532-L542 HydrophobicContact CG2-CD1 3.61Å; V532-L542 HydrophobicContact CG2-CG 3.82Å; V532-L588 WeakPolarHBondContact CA-O 3.49Å; V532-L588 HydrophobicContact CG1-CB 4.34Å; V532-L588 HydrophobicContact CG1-CD2 4.03Å; V532-L588 HydrophobicContact CG1-CG 4.31Å; V532-L588 HydrophobicContact CG2-CB 4.13Å; V532-L588 HydrophobicContact CG2-CD2 4.32Å; V532-L590 HydrophobicContact CG1-CD1 4.24Å |
| 533 | L | 95.2 | Very high | 79.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.5 | -179.7 | -70.3 | 83.7 | 0 | 0 | 0 | 111 | F311 P531 R537 L538 L588 Y589 L590 | F311-L533 HydrophobicContact CD1-CD2 3.98Å; F311-L533 HydrophobicContact CE1-CD1 4.46Å; F311-L533 HydrophobicContact CE1-CD2 3.84Å; F311-L533 HydrophobicContact CE2-CD1 4.24Å; F311-L533 HydrophobicContact CZ-CD1 4.17Å; F311-L533 HydrophobicContact CZ-CD2 4.35Å; P531-L533 HydrophobicContact CB-CD1 3.81Å; P531-L533 HydrophobicContact CG-CD1 4.31Å; L533-R537 CarbonylContact C-O 3.59Å; L533-R537 VanDerWaalsContact CA-O 3.23Å; L533-R537 WeakPolarHBondContact CA-O 3.24Å; L533-L538 HydrophobicContact CD1-CD1 4.13Å; L533-L538 HydrophobicContact CG-CD1 4.33Å; L533-L588 PolarHBondContact N-O 2.85Å; L533-Y589 HydrophobicContact CB-CD1 4.18Å; L533-Y589 HydrophobicContact CD1-CD1 4.12Å; L533-Y589 HydrophobicContact CD1-CE1 3.88Å; L533-Y589 HydrophobicContact CD2-CE1 4.49Å; L533-L590 WeakPolarHBondContact O-CB 3.43Å; L533-L590 PolarHBondContact O-N 2.75Å |
| 534 | L | 94.9 | Very high | 81.8 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.8 | 171.4 | 176.4 | 66.8 | 0 | 0 | 0 | 109.7 | L499 I502 G536 R537 I539 M571 L590 | L499-L534 WeakPolarHBondContact O-CD2 3.35Å; I502-L534 HydrophobicContact CB-CD2 3.86Å; I502-L534 HydrophobicContact CG2-CD1 3.91Å; I502-L534 HydrophobicContact CG2-CD2 3.71Å; I502-L534 HydrophobicContact CG2-CG 4.47Å; L534-G536 PolarHBondContact O-N 2.81Å; L534-G536 VanDerWaalsContact O-N 3.13Å; L534-R537 PolarHBondContact N-O 3.11Å; L534-R537 VanDerWaalsContact O-CB 3.25Å; L534-R537 WeakPolarHBondContact O-CB 3.38Å; L534-R537 PolarHBondContact O-N 3.15Å; L534-I539 HydrophobicContact CB-CD1 4.19Å; L534-I539 HydrophobicContact CB-CG1 3.87Å; L534-M571 HydrophobicContact CD1-CE 3.84Å; L534-L590 WeakPolarHBondContact CA-O 3.47Å; L534-L590 HydrophobicContact CD1-CB 3.92Å |
| 535 | D | 94.2 | Very high | 83.8 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 44 | -175.7 | -79 | -32.3 | 0 | 0 | 0 | 112.5 | N151 H298 L499 R537 L590 F591 A592 G593 | N151-D535 VanDerWaalsContact CB-O 3.26Å; N151-D535 WeakPolarHBondContact CB-O 3.27Å; H298-D535 PolarHBondContact CD2-O 3.37Å; H298-D535 VanDerWaalsContact CD2-O 3.24Å; L499-D535 WeakPolarHBondContact CD2-OD2 3.41Å; D535-R537 VanDerWaalsContact C-N 3.34Å; D535-R537 PolarHBondContact O-N 2.75Å; D535-L590 PolarHBondContact N-O 3.06Å; D535-F591 VanDerWaalsContact OD1-CA 3.3Å; D535-F591 WeakPolarHBondContact OD1-CA 3.26Å; D535-A592 PolarHBondContact OD1-N 3.37Å; D535-A592 WeakPolarHBondContact OD2-CA 3.34Å; D535-A592 WeakPolarHBondContact OD2-CB 3.48Å; D535-A592 PolarHBondContact OD2-N 2.8Å; D535-A592 VanDerWaalsContact OD2-N 3.15Å; D535-G593 PolarHBondContact OD1-N 3.25Å; D535-G593 PolarHBondContact OD2-N 2.72Å |
| 536 | G | 93.6 | Very high | 85.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N151 L308 L534 | N151-G536 WeakPolarHBondContact O-CA 3.47Å; N151-G536 PolarHBondContact O-N 2.99Å; L308-G536 WeakPolarHBondContact CD1-O 3.39Å; L534-G536 PolarHBondContact O-N 2.81Å; L534-G536 VanDerWaalsContact O-N 3.13Å |
| 537 | R | 94.7 | Very high | 87.3 | Confident | 60 Ų | 60 | 32.9 Ų | 32.9 | 23% | 0.226 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.5 | 173.1 | -173 | -179.9 | 178.6 | -170.9 | 2.6 | 110.5 | L299 D304 L533 L534 D535 I539 | L299-R537 HydrophobicContact CD2-CB 3.62Å; L299-R537 HydrophobicContact CD2-CG 4.04Å; D304-R537 HydrophobicContact CB-CG 4.26Å; D304-R537 IonicContact OD1-CZ 3.99Å; D304-R537 IonicContact OD1-NE 3.35Å; D304-R537 PolarHBondContact OD1-NE 2.82Å; D304-R537 IonicContact OD1-NH2 3.62Å; D304-R537 PolarHBondContact OD1-NH2 2.77Å; D304-R537 IonicContact OD2-CZ 2.93Å; D304-R537 IonicContact OD2-NE 3.36Å; D304-R537 PolarHBondContact OD2-NE 3.46Å; D304-R537 VanDerWaalsContact OD2-NE 3.07Å; D304-R537 IonicContact OD2-NH2 3.41Å; D304-R537 PolarHBondContact OD2-NH2 2.85Å; L533-R537 CarbonylContact C-O 3.59Å; L533-R537 VanDerWaalsContact CA-O 3.23Å; L533-R537 WeakPolarHBondContact CA-O 3.24Å; L534-R537 PolarHBondContact N-O 3.11Å; L534-R537 VanDerWaalsContact O-CB 3.25Å; L534-R537 WeakPolarHBondContact O-CB 3.38Å; L534-R537 PolarHBondContact O-N 3.15Å; D535-R537 VanDerWaalsContact C-N 3.34Å; D535-R537 PolarHBondContact O-N 2.75Å; R537-I539 HydrophobicContact CB-CD1 4.43Å; R537-I539 HydrophobicContact CG-CD1 3.97Å; R537-I539 PolarHBondContact O-N 3.43Å |
| 538 | L | 93.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.1 | 169.4 | -174.9 | 66.8 | 0 | 0 | 0 | 109 | H307 I514 P531 L533 W541 | H307-L538 HydrophobicContact CB-CB 4.36Å; H307-L538 HydrophobicContact CB-CD2 4.13Å; I514-L538 HydrophobicContact CD1-CG 4.47Å; I514-L538 WeakPolarHBondContact CD1-O 3.24Å; I514-L538 HydrophobicContact CG1-CG 4.37Å; I514-L538 HydrophobicContact CG2-CD2 3.83Å; P531-L538 HydrophobicContact CB-CD1 3.88Å; L533-L538 HydrophobicContact CD1-CD1 4.13Å; L533-L538 HydrophobicContact CG-CD1 4.33Å; L538-W541 HydrophobicContact CD1-CZ2 4.48Å; L538-W541 HydrophobicContact CD2-CZ2 3.86Å |
| 539 | I | 91.9 | Very high | 90 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -35.6 | 179.7 | -58.4 | -62 | 0 | 0 | 0 | 111.3 | L506 L511 I514 V532 L534 R537 | L506-I539 HydrophobicContact CB-CG2 3.99Å; L506-I539 HydrophobicContact CD1-CG1 4.36Å; L511-I539 HydrophobicContact CD1-CB 4.49Å; L511-I539 HydrophobicContact CD1-CG2 3.77Å; I514-I539 VanDerWaalsContact CG1-O 3.29Å; I514-I539 WeakPolarHBondContact CG1-O 3.21Å; V532-I539 PolarHBondContact O-N 2.87Å; L534-I539 HydrophobicContact CB-CD1 4.19Å; L534-I539 HydrophobicContact CB-CG1 3.87Å; R537-I539 HydrophobicContact CB-CD1 4.43Å; R537-I539 HydrophobicContact CG-CD1 3.97Å; R537-I539 PolarHBondContact O-N 3.43Å |
| 540 | G | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -166.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R512 V532 | R512-G540 VanDerWaalsContact O-CA 3.23Å; R512-G540 WeakPolarHBondContact O-CA 3.46Å; V532-G540 PolarHBondContact N-O 3.41Å |
| 541 | W | 87.4 | Confident | 90.7 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.2 | -176.5 | -56.8 | 89.8 | 0 | 0 | 0 | 111.4 | R512 A529 L530 P531 L538 | R512-W541 HydrophobicContact CB-CB 4.33Å; R512-W541 WeakPolarHBondContact CB-O 3.43Å; R512-W541 PolarHBondContact N-O 3.29Å; R512-W541 PolarHBondContact O-N 2.94Å; A529-W541 HydrophobicContact CB-CB 4.34Å; A529-W541 HydrophobicContact CB-CE3 4.02Å; L530-W541 WeakPolarHBondContact O-CA 3.47Å; P531-W541 HydrophobicContact CB-CE3 3.89Å; P531-W541 HydrophobicContact CB-CH2 4.02Å; P531-W541 HydrophobicContact CB-CZ3 3.55Å; P531-W541 HydrophobicContact CG-CZ3 4.06Å; L538-W541 HydrophobicContact CD1-CZ2 4.48Å; L538-W541 HydrophobicContact CD2-CZ2 3.86Å |
| 542 | L | 88.3 | Confident | 90.7 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.8 | 170.7 | -72.8 | 165.9 | 0 | 0 | 0 | 109.5 | L511 A529 L530 V532 E547 A548 L551 L588 | L511-L542 HydrophobicContact CD2-CD1 4.37Å; L511-L542 HydrophobicContact CD2-CD2 3.74Å; L511-L542 HydrophobicContact CD2-CG 3.73Å; A529-L542 CarbonylContact C-O 3.57Å; A529-L542 WeakPolarHBondContact CA-O 3.18Å; L530-L542 HydrophobicContact CB-CB 4.22Å; L530-L542 PolarHBondContact N-O 2.83Å; L530-L542 PolarHBondContact O-N 3.4Å; V532-L542 HydrophobicContact CG2-CD1 3.61Å; V532-L542 HydrophobicContact CG2-CG 3.82Å; L542-E547 HydrophobicContact CD2-CB 4.07Å; L542-A548 HydrophobicContact CD1-CB 3.68Å; L542-L551 HydrophobicContact CD1-CD2 4.08Å; L542-L551 HydrophobicContact CD2-CD2 4.35Å; L542-L588 HydrophobicContact CD1-CD2 4.34Å |
| 543 | S | 81.6 | Confident | 90.5 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -80.7 | -34.2 | -171.6 | -28.6 | 0 | 0 | 0 | 0 | 111.8 | R512 E547 | R512-S543 PolarHBondContact NE-OG 2.79Å; R512-S543 PolarHBondContact NH2-OG 2.96Å; R512-S543 VanDerWaalsContact NH2-OG 3.12Å; S543-E547 WeakPolarHBondContact CB-OE2 3.25Å; S543-E547 PolarHBondContact N-OE2 2.9Å; S543-E547 PolarHBondContact OG-OE2 3.32Å |
| 544 | T | 85.7 | Confident | 90.2 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 39% | 0.387 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -137.8 | 157.3 | -174 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | D546 E547 A548 | T544-D546 PolarHBondContact O-N 2.93Å; T544-E547 PolarHBondContact O-N 3.12Å; T544-E547 WeakPolarHBondContact OG1-CG 3.41Å; T544-E547 PolarHBondContact OG1-N 3.33Å; T544-A548 PolarHBondContact O-N 2.77Å |
| 545 | L | 87 | Confident | 90.1 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -33.1 | 174 | -176.8 | 63.4 | 0 | 0 | 0 | 112.2 | L530 A548 K549 P577 | L530-L545 HydrophobicContact CD1-CB 4.33Å; L530-L545 HydrophobicContact CD1-CD1 4.13Å; L545-A548 WeakPolarHBondContact O-CB 3.36Å; L545-A548 PolarHBondContact O-N 3.28Å; L545-K549 WeakPolarHBondContact O-CG 3.43Å; L545-K549 PolarHBondContact O-N 2.9Å; L545-P577 HydrophobicContact CD1-CB 3.97Å; L545-P577 HydrophobicContact CD2-CB 4.23Å |
| 546 | D | 88.1 | Confident | 89.9 | Confident | 92 Ų | 92 | 41 Ų | 41 | 49% | 0.492 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.7 | -39 | 178.7 | -78 | -13.1 | 0 | 0 | 0 | 112.5 | T544 A548 K549 R550 | T544-D546 PolarHBondContact O-N 2.93Å; D546-A548 VanDerWaalsContact C-N 3.27Å; D546-A548 PolarHBondContact O-N 2.88Å; D546-K549 PolarHBondContact O-N 2.74Å; D546-R550 WeakPolarHBondContact O-CG 3.41Å; D546-R550 PolarHBondContact O-N 3.49Å |
| 547 | E | 88.7 | Confident | 89.7 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 170.6 | -72.8 | 174.3 | 169.7 | 0 | 0 | 110.8 | L542 S543 T544 R550 L551 | L542-E547 HydrophobicContact CD2-CB 4.07Å; S543-E547 WeakPolarHBondContact CB-OE2 3.25Å; S543-E547 PolarHBondContact N-OE2 2.9Å; S543-E547 PolarHBondContact OG-OE2 3.32Å; T544-E547 PolarHBondContact O-N 3.12Å; T544-E547 WeakPolarHBondContact OG1-CG 3.41Å; T544-E547 PolarHBondContact OG1-N 3.33Å; E547-R550 PolarHBondContact O-N 3.01Å; E547-L551 WeakPolarHBondContact O-CB 3.35Å; E547-L551 PolarHBondContact O-N 3.33Å |
| 548 | A | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L530 L542 T544 L545 D546 L551 A552 L575 | L530-A548 HydrophobicContact CD1-CB 3.95Å; L542-A548 HydrophobicContact CD1-CB 3.68Å; T544-A548 PolarHBondContact O-N 2.77Å; L545-A548 WeakPolarHBondContact O-CB 3.36Å; L545-A548 PolarHBondContact O-N 3.28Å; D546-A548 VanDerWaalsContact C-N 3.27Å; D546-A548 PolarHBondContact O-N 2.88Å; A548-L551 PolarHBondContact O-N 3.05Å; A548-A552 VanDerWaalsContact O-CB 3.31Å; A548-A552 WeakPolarHBondContact O-CB 3.19Å; A548-A552 PolarHBondContact O-N 3.21Å; A548-L575 HydrophobicContact CB-CD1 3.65Å; A548-L575 HydrophobicContact CB-CD2 4.35Å |
| 549 | K | 90.5 | Very high | 89.4 | Confident | 112 Ų | 112 | 41.8 Ų | 41.8 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.6 | -74.2 | 175.7 | 179.1 | 175.4 | 0 | 111.8 | L545 D546 A552 L553 L575 | L545-K549 WeakPolarHBondContact O-CG 3.43Å; L545-K549 PolarHBondContact O-N 2.9Å; D546-K549 PolarHBondContact O-N 2.74Å; K549-A552 PolarHBondContact O-N 3.1Å; K549-L553 PolarHBondContact O-N 2.91Å; K549-L575 HydrophobicContact CB-CD2 4.41Å; K549-L575 HydrophobicContact CG-CD2 3.74Å |
| 550 | R | 90.5 | Very high | 89.1 | Confident | 161 Ų | 161 | 42.4 Ų | 42.4 | 61% | 0.608 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.4 | -47.4 | 177.1 | -71.9 | -176.8 | -161.6 | 128.8 | 4.6 | 111.7 | D546 E547 A552 L553 E554 | D546-R550 WeakPolarHBondContact O-CG 3.41Å; D546-R550 PolarHBondContact O-N 3.49Å; E547-R550 PolarHBondContact O-N 3.01Å; R550-A552 VanDerWaalsContact C-N 3.33Å; R550-A552 PolarHBondContact O-N 3.06Å; R550-L553 PolarHBondContact O-N 2.88Å; R550-E554 PolarHBondContact O-N 2.81Å |
| 551 | L | 91.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.9 | -177.8 | 62.6 | 0 | 0 | 0 | 111.5 | W505 L506 H509 L511 L542 E547 A548 L553 E554 L555 L588 | W505-L551 HydrophobicContact CZ3-CD1 4.5Å; L506-L551 HydrophobicContact CD2-CD2 4.5Å; H509-L551 HydrophobicContact CB-CD1 4.13Å; L511-L551 HydrophobicContact CD2-CD2 3.98Å; L511-L551 HydrophobicContact CG-CD2 4.5Å; L542-L551 HydrophobicContact CD1-CD2 4.08Å; L542-L551 HydrophobicContact CD2-CD2 4.35Å; E547-L551 WeakPolarHBondContact O-CB 3.35Å; E547-L551 PolarHBondContact O-N 3.33Å; A548-L551 PolarHBondContact O-N 3.05Å; L551-L553 VanDerWaalsContact C-N 3.32Å; L551-L553 PolarHBondContact O-N 2.98Å; L551-E554 PolarHBondContact O-N 2.8Å; L551-L555 HydrophobicContact CD1-CG 4.48Å; L551-L555 HydrophobicContact CG-CD1 4.24Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.49Å; L551-L555 PolarHBondContact O-N 2.76Å; L551-L588 HydrophobicContact CD2-CD2 3.82Å; L551-L588 HydrophobicContact CG-CD2 4.26Å |
| 552 | A | 92.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A548 K549 R550 R556 I573 L575 L588 | A548-A552 VanDerWaalsContact O-CB 3.31Å; A548-A552 WeakPolarHBondContact O-CB 3.19Å; A548-A552 PolarHBondContact O-N 3.21Å; K549-A552 PolarHBondContact O-N 3.1Å; R550-A552 VanDerWaalsContact C-N 3.33Å; R550-A552 PolarHBondContact O-N 3.06Å; A552-R556 WeakPolarHBondContact O-CG 3.32Å; A552-R556 PolarHBondContact O-N 2.8Å; A552-I573 HydrophobicContact CB-CG2 4.1Å; A552-L575 HydrophobicContact CB-CD2 4.41Å; A552-L588 HydrophobicContact CB-CD1 4.36Å |
| 553 | L | 89.8 | Confident | 88.3 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 175.7 | -175.9 | 65.2 | 0 | 0 | 0 | 112.1 | K549 R550 L551 L555 R556 N557 Q605 | K549-L553 PolarHBondContact O-N 2.91Å; R550-L553 PolarHBondContact O-N 2.88Å; L551-L553 VanDerWaalsContact C-N 3.32Å; L551-L553 PolarHBondContact O-N 2.98Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 2.79Å; L553-R556 PolarHBondContact O-N 3.12Å; L553-N557 VanDerWaalsContact O-CG 3.29Å; L553-N557 PolarHBondContact O-N 2.83Å; L553-Q605 HydrophobicContact CD1-CB 4.11Å |
| 554 | E | 90.2 | Very high | 88.3 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 175 | -79.3 | 179.5 | 174.8 | 0 | 0 | 112.2 | H509 R550 L551 N557 S558 | H509-E554 IonicContact CD2-OE2 3.89Å; R550-E554 PolarHBondContact O-N 2.81Å; L551-E554 PolarHBondContact O-N 2.8Å; E554-N557 PolarHBondContact O-N 3Å; E554-S558 VanDerWaalsContact O-CB 3.29Å; E554-S558 WeakPolarHBondContact O-CB 3.34Å; E554-S558 PolarHBondContact O-N 2.87Å; E554-S558 PolarHBondContact O-OG 3.1Å |
| 555 | L | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.2 | -75.5 | 171.8 | 0 | 0 | 0 | 111.4 | W505 L506 L551 L553 S558 K559 I567 I573 L588 L590 | W505-L555 HydrophobicContact CE3-CD2 4.18Å; W505-L555 HydrophobicContact CH2-CD2 4.06Å; W505-L555 HydrophobicContact CZ3-CD2 3.44Å; W505-L555 VanDerWaalsContact CZ3-CD2 3.44Å; W505-L555 HydrophobicContact CZ3-CG 4.3Å; L506-L555 HydrophobicContact CD2-CD1 4.34Å; L506-L555 HydrophobicContact CD2-CD2 4.11Å; L551-L555 HydrophobicContact CD1-CG 4.48Å; L551-L555 HydrophobicContact CG-CD1 4.24Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.49Å; L551-L555 PolarHBondContact O-N 2.76Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 2.79Å; L555-S558 PolarHBondContact O-N 3.48Å; L555-K559 VanDerWaalsContact O-CB 3.25Å; L555-K559 WeakPolarHBondContact O-CB 3.33Å; L555-K559 PolarHBondContact O-N 2.77Å; L555-I567 HydrophobicContact CD2-CD1 3.51Å; L555-I567 HydrophobicContact CD2-CG1 4.34Å; L555-I573 HydrophobicContact CB-CD1 3.64Å; L555-I573 HydrophobicContact CB-CG1 4.29Å; L555-I573 HydrophobicContact CB-CG2 4.43Å; L555-I573 HydrophobicContact CD1-CG2 4.26Å; L555-L588 HydrophobicContact CD1-CD2 4.33Å; L555-L590 HydrophobicContact CD1-CD1 4.03Å; L555-L590 HydrophobicContact CD1-CD2 3.76Å |
| 556 | R | 91.1 | Very high | 88 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 176.4 | -73 | -172.6 | -173.8 | 109 | 8.6 | 112.2 | A552 L553 S558 K559 V560 I573 E617 | A552-R556 WeakPolarHBondContact O-CG 3.32Å; A552-R556 PolarHBondContact O-N 2.8Å; L553-R556 PolarHBondContact O-N 3.12Å; R556-S558 VanDerWaalsContact C-N 3.31Å; R556-S558 PolarHBondContact O-N 2.99Å; R556-K559 WeakPolarHBondContact O-CB 3.41Å; R556-K559 PolarHBondContact O-N 2.69Å; R556-K559 VanDerWaalsContact O-N 3.13Å; R556-V560 PolarHBondContact O-N 2.7Å; R556-V560 VanDerWaalsContact O-N 3.17Å; R556-I573 HydrophobicContact CB-CD1 4.47Å; R556-I573 HydrophobicContact CG-CD1 3.69Å; R556-I573 PolarHBondContact NH2-O 2.89Å; R556-I573 VanDerWaalsContact NH2-O 3.11Å; R556-E617 WeakPolarHBondContact CD-OE1 3.48Å; R556-E617 WeakPolarHBondContact CG-OE1 3.38Å; R556-E617 IonicContact NE-OE1 2.54Å |
| 557 | N | 89.1 | Confident | 88 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.7 | -69.4 | -15.2 | 0 | 0 | 0 | 111.2 | L553 E554 K559 V560 D561 C606 | L553-N557 VanDerWaalsContact O-CG 3.29Å; L553-N557 PolarHBondContact O-N 2.83Å; E554-N557 PolarHBondContact O-N 3Å; N557-K559 VanDerWaalsContact C-N 3.32Å; N557-K559 PolarHBondContact O-N 3.08Å; N557-V560 VanDerWaalsContact O-CG2 3.28Å; N557-V560 WeakPolarHBondContact O-CG2 3.2Å; N557-V560 PolarHBondContact O-N 2.88Å; N557-D561 PolarHBondContact O-N 3.48Å; N557-D561 VanDerWaalsContact O-N 3.1Å; N557-C606 PolarHBondContact OD1-SG 3.23Å |
| 558 | S | 90 | Very high | 88.1 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -33.2 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | E554 L555 R556 V560 C564 I567 | E554-S558 VanDerWaalsContact O-CB 3.29Å; E554-S558 WeakPolarHBondContact O-CB 3.34Å; E554-S558 PolarHBondContact O-N 2.87Å; E554-S558 PolarHBondContact O-OG 3.1Å; L555-S558 PolarHBondContact O-N 3.48Å; R556-S558 VanDerWaalsContact C-N 3.31Å; R556-S558 PolarHBondContact O-N 2.99Å; S558-V560 VanDerWaalsContact C-N 3.31Å; S558-V560 PolarHBondContact O-N 3.43Å; S558-C564 WeakPolarHBondContact O-CB 3.31Å; S558-I567 VanDerWaalsContact CB-CD1 3.43Å |
| 559 | K | 90.7 | Very high | 88.1 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | 178 | -175.2 | 175.1 | 103.1 | -168.8 | 0 | 112.5 | L555 R556 N557 I567 M571 I573 E617 W618 | L555-K559 VanDerWaalsContact O-CB 3.25Å; L555-K559 WeakPolarHBondContact O-CB 3.33Å; L555-K559 PolarHBondContact O-N 2.77Å; R556-K559 WeakPolarHBondContact O-CB 3.41Å; R556-K559 PolarHBondContact O-N 2.69Å; R556-K559 VanDerWaalsContact O-N 3.13Å; N557-K559 VanDerWaalsContact C-N 3.32Å; N557-K559 PolarHBondContact O-N 3.08Å; K559-I567 HydrophobicContact CB-CG2 3.98Å; K559-I567 HydrophobicContact CG-CG2 4.45Å; K559-M571 HydrophobicContact CD-CB 4.38Å; K559-M571 WeakPolarHBondContact CD-O 3.31Å; K559-M571 PolarHBondContact NZ-O 3.03Å; K559-I573 HydrophobicContact CD-CD1 4.22Å; K559-E617 VanDerWaalsContact CE-CG 3.47Å; K559-E617 WeakPolarHBondContact CE-OE1 3.44Å; K559-E617 IonicContact NZ-OE1 2.74Å; K559-E617 PolarHBondContact NZ-OE1 3.06Å; K559-W618 WeakPolarHBondContact CE-O 3.09Å; K559-W618 PolarHBondContact NZ-O 3.02Å |
| 560 | V | 86.9 | Confident | 88.2 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -92.4 | -17.7 | -178.6 | -60 | 0 | 0 | 0 | 0 | 113.5 | R556 N557 S558 P562 C606 V615 E617 | R556-V560 PolarHBondContact O-N 2.7Å; R556-V560 VanDerWaalsContact O-N 3.17Å; N557-V560 VanDerWaalsContact O-CG2 3.28Å; N557-V560 WeakPolarHBondContact O-CG2 3.2Å; N557-V560 PolarHBondContact O-N 2.88Å; S558-V560 VanDerWaalsContact C-N 3.31Å; S558-V560 PolarHBondContact O-N 3.43Å; V560-P562 VanDerWaalsContact O-CD 3.28Å; V560-P562 WeakPolarHBondContact O-CD 3.39Å; V560-C606 HydrophobicContact CG2-CB 4.1Å; V560-C606 VanDerWaalsContact CG2-SG 3.56Å; V560-V615 HydrophobicContact CB-CG1 3.72Å; V560-V615 HydrophobicContact CG1-CG1 4.07Å; V560-V615 HydrophobicContact CG2-CG1 4.21Å; V560-E617 HydrophobicContact CG1-CB 4.23Å; V560-E617 HydrophobicContact CG1-CG 4.39Å |
| 561 | D | 85.3 | Confident | 88.3 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -71.1 | 115.4 | 177.2 | -179.2 | 6.9 | 0 | 0 | 0 | 110.8 | N557 N563 C564 | N557-D561 PolarHBondContact O-N 3.48Å; N557-D561 VanDerWaalsContact O-N 3.1Å; D561-N563 PolarHBondContact O-N 3.41Å; D561-N563 VanDerWaalsContact O-N 3.08Å; D561-N563 WeakPolarHBondContact OD1-CB 3.27Å; D561-N563 PolarHBondContact OD1-N 2.84Å; D561-N563 PolarHBondContact OD1-ND2 2.92Å; D561-C564 HydrophobicContact CB-CB 4.27Å; D561-C564 PolarHBondContact O-N 3.31Å | ||
| 562 | P | 79.7 | Confident | 88.5 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 79% | 0.792 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.3 | 178 | 25.9 | -34.4 | 0 | 0 | 0 | 113.8 | V560 | V560-P562 VanDerWaalsContact O-CD 3.28Å; V560-P562 WeakPolarHBondContact O-CD 3.39Å |
| 563 | N | 83.4 | Confident | 88.6 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 72% | 0.717 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -20 | 176.6 | -58.1 | -56.1 | 0 | 0 | 0 | 113.1 | D561 K565 | D561-N563 PolarHBondContact O-N 3.41Å; D561-N563 VanDerWaalsContact O-N 3.08Å; D561-N563 WeakPolarHBondContact OD1-CB 3.27Å; D561-N563 PolarHBondContact OD1-N 2.84Å; D561-N563 PolarHBondContact OD1-ND2 2.92Å; N563-K565 PolarHBondContact O-N 2.91Å |
| 564 | C | 81.7 | Confident | 88.9 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | trans | -81.4 | 107 | -179 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | S558 D561 | S558-C564 WeakPolarHBondContact O-CB 3.31Å; D561-C564 HydrophobicContact CB-CB 4.27Å; D561-C564 PolarHBondContact O-N 3.31Å | ||
| 565 | K | 80.7 | Confident | 89.2 | Confident | 201 Ų | 201 | 46.6 Ų | 46.6 | 87% | 0.874 | 25% | 0.248 | S | C | * | . | trans | -85.8 | -15.8 | 178.2 | -67.7 | -176 | 180 | 177 | 0 | 114.1 | N563 | N563-K565 PolarHBondContact O-N 2.91Š| ||
| 566 | N | 84.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -79 | -36.8 | -172.8 | -67 | -23.6 | 0 | 0 | 0 | 112.1 | I502 W505 | I502-N566 WeakPolarHBondContact CG1-O 3.26Å; W505-N566 HydrophobicContact CG-CB 4.44Å |
| 567 | I | 88.7 | Confident | 89.3 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -105.9 | 117 | -174.2 | -67.5 | 164.9 | 0 | 0 | 0 | 108.7 | W505 L555 S558 K559 M571 | W505-I567 HydrophobicContact CD2-CD1 4.18Å; W505-I567 HydrophobicContact CE3-CD1 4Å; W505-I567 HydrophobicContact CH2-CD1 3.88Å; W505-I567 HydrophobicContact CZ2-CD1 4.03Å; W505-I567 HydrophobicContact CZ3-CD1 3.87Å; L555-I567 HydrophobicContact CD2-CD1 3.51Å; L555-I567 HydrophobicContact CD2-CG1 4.34Å; S558-I567 VanDerWaalsContact CB-CD1 3.43Å; K559-I567 HydrophobicContact CB-CG2 3.98Å; K559-I567 HydrophobicContact CG-CG2 4.45Å; I567-M571 HydrophobicContact CG2-SD 3.91Å |
| 568 | P | 90.2 | Very high | 89.2 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 23% | 0.234 | 26% | 0.262 | C | S | . | . | trans | -73.5 | 140.6 | -179.5 | 25.5 | -27.8 | 0 | 0 | 0 | 111.1 | I502 T570 M571 | I502-P568 HydrophobicContact CD1-CG 4.3Å; P568-T570 PolarHBondContact O-N 2.96Å; P568-M571 HydrophobicContact CG-CB 4.12Å; P568-M571 VanDerWaalsContact O-CB 3.22Å; P568-M571 WeakPolarHBondContact O-CB 3.16Å; P568-M571 PolarHBondContact O-N 2.95Å | ||
| 569 | H | 90.5 | Very high | 89 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.8 | 177.5 | 69 | -84.1 | 0 | 0 | 0 | 114.4 | ||
| 570 | T | 92.5 | Very high | 88.5 | Confident | 32 Ų | 32 | 58 Ų | 58 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.7 | 178 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | V490 P568 R596 L598 | V490-T570 HydrophobicContact CG2-CG2 4.49Å; P568-T570 PolarHBondContact O-N 2.96Å; T570-R596 PolarHBondContact O-NH1 2.94Å; T570-R596 PolarHBondContact O-NH2 3.12Å; T570-L598 HydrophobicContact CG2-CD1 3.94Å |
| 571 | M | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -69.4 | 130.6 | 179.7 | -165.6 | 166.4 | 171.2 | 0 | 0 | 110.7 | I502 L534 K559 I567 P568 L590 F591 | I502-M571 HydrophobicContact CD1-SD 4.49Å; I502-M571 HydrophobicContact CG2-CE 3.91Å; I502-M571 HydrophobicContact CG2-SD 4.44Å; L534-M571 HydrophobicContact CD1-CE 3.84Å; K559-M571 HydrophobicContact CD-CB 4.38Å; K559-M571 WeakPolarHBondContact CD-O 3.31Å; K559-M571 PolarHBondContact NZ-O 3.03Å; I567-M571 HydrophobicContact CG2-SD 3.91Å; P568-M571 HydrophobicContact CG-CB 4.12Å; P568-M571 VanDerWaalsContact O-CB 3.22Å; P568-M571 WeakPolarHBondContact O-CB 3.16Å; P568-M571 PolarHBondContact O-N 2.95Å; M571-L590 HydrophobicContact CE-CB 3.54Å; M571-L590 HydrophobicContact CE-CD1 3.71Å; M571-L590 HydrophobicContact CE-CD2 4.12Å; M571-L590 HydrophobicContact CE-CG 3.98Å; M571-F591 WeakPolarHBondContact CA-O 3.42Å | ||
| 572 | E | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.3 | 174.6 | 173.4 | 175.7 | -154.3 | 0 | 0 | 109 | R149 L590 F591 R596 G620 T621 F622 E623 | R149-E572 IonicContact CZ-OE1 2.79Å; R149-E572 IonicContact CZ-OE2 3.41Å; R149-E572 IonicContact NH1-OE1 2.91Å; R149-E572 IonicContact NH1-OE2 3.63Å; R149-E572 PolarHBondContact NH1-OE2 3.11Å; R149-E572 IonicContact NH2-OE1 3.21Å; R149-E572 PolarHBondContact NH2-OE1 2.91Å; R149-E572 IonicContact NH2-OE2 3.83Å; R149-E572 PolarHBondContact NH2-OE2 3.03Å; E572-L590 WeakPolarHBondContact O-CA 3.39Å; E572-F591 HydrophobicContact CB-CB 4.27Å; E572-F591 HydrophobicContact CB-CD2 4.46Å; E572-F591 HydrophobicContact CG-CD2 4.21Å; E572-F591 PolarHBondContact N-O 3.09Å; E572-F591 PolarHBondContact O-N 3.4Å; E572-R596 IonicContact OE2-NH1 2.81Å; E572-G620 VanDerWaalsContact OE1-CA 3.3Å; E572-G620 WeakPolarHBondContact OE1-CA 3.34Å; E572-T621 PolarHBondContact OE1-N 3.21Å; E572-F622 WeakPolarHBondContact OE1-CA 3.5Å; E572-F622 VanDerWaalsContact OE1-CB 3.23Å; E572-F622 WeakPolarHBondContact OE1-CB 2.92Å; E572-F622 PolarHBondContact OE1-N 2.69Å; E572-E623 HydrophobicContact CG-CB 4.04Å; E572-E623 HydrophobicContact CG-CG 3.93Å; E572-E623 WeakPolarHBondContact CG-OE1 3.39Å; E572-E623 PolarHBondContact OE1-N 3.45Å |
| 573 | I | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 90.1 | -171.5 | -58.4 | 159.4 | 0 | 0 | 0 | 108.1 | A552 L555 R556 K559 L588 L590 E623 | A552-I573 HydrophobicContact CB-CG2 4.1Å; L555-I573 HydrophobicContact CB-CD1 3.64Å; L555-I573 HydrophobicContact CB-CG1 4.29Å; L555-I573 HydrophobicContact CB-CG2 4.43Å; L555-I573 HydrophobicContact CD1-CG2 4.26Å; R556-I573 HydrophobicContact CB-CD1 4.47Å; R556-I573 HydrophobicContact CG-CD1 3.69Å; R556-I573 PolarHBondContact NH2-O 2.89Å; R556-I573 VanDerWaalsContact NH2-O 3.11Å; K559-I573 HydrophobicContact CD-CD1 4.22Å; I573-L588 HydrophobicContact CG2-CD1 4.12Å; I573-L590 HydrophobicContact CB-CD2 4.25Å; I573-L590 HydrophobicContact CG1-CD2 4.19Å; I573-L590 HydrophobicContact CG2-CD2 3.89Å; I573-E623 PolarHBondContact N-OE2 3.41Å; I573-E623 WeakPolarHBondContact O-CB 3.33Å; I573-E623 VanDerWaalsContact O-OE2 3.13Å |
| 574 | T | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 105.7 | -175.9 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | V576 Y589 F622 E623 Y626 | T574-V576 HydrophobicContact CG2-CG2 4.08Å; T574-Y589 WeakPolarHBondContact CB-O 3.3Å; T574-Y589 PolarHBondContact N-O 3.45Å; T574-Y589 PolarHBondContact O-N 2.88Å; T574-F622 HydrophobicContact CG2-CB 4.4Å; T574-F622 HydrophobicContact CG2-CD1 4.19Å; T574-F622 HydrophobicContact CG2-CD2 3.4Å; T574-F622 VanDerWaalsContact CG2-CD2 3.4Å; T574-F622 HydrophobicContact CG2-CE1 4.33Å; T574-F622 HydrophobicContact CG2-CE2 3.58Å; T574-F622 HydrophobicContact CG2-CG 3.74Å; T574-F622 HydrophobicContact CG2-CZ 4.03Å; T574-E623 PolarHBondContact OG1-N 2.93Å; T574-Y626 HydrophobicContact CG2-CD2 4.22Å; T574-Y626 HydrophobicContact CG2-CE2 4.43Å |
| 575 | L | 95.2 | Very high | 89.6 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.3 | 169.6 | 176.7 | 60.2 | 0 | 0 | 0 | 109.7 | A548 K549 A552 P577 L588 | A548-L575 HydrophobicContact CB-CD1 3.65Å; A548-L575 HydrophobicContact CB-CD2 4.35Å; K549-L575 HydrophobicContact CB-CD2 4.41Å; K549-L575 HydrophobicContact CG-CD2 3.74Å; A552-L575 HydrophobicContact CB-CD2 4.41Å; L575-P577 WeakPolarHBondContact O-CD 3.49Å; L575-L588 HydrophobicContact CB-CD1 4.1Å; L575-L588 HydrophobicContact CD1-CB 4.46Å; L575-L588 HydrophobicContact CD1-CD1 4.4Å |
| 576 | V | 95 | Very high | 90.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.2 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | T574 Q584 P586 G587 Y589 F622 Y626 | T574-V576 HydrophobicContact CG2-CG2 4.08Å; V576-Q584 HydrophobicContact CG1-CB 4.08Å; V576-Q584 HydrophobicContact CG1-CG 4.34Å; V576-P586 WeakPolarHBondContact O-CA 3.41Å; V576-G587 PolarHBondContact N-O 3.11Å; V576-G587 PolarHBondContact O-N 3.5Å; V576-Y589 HydrophobicContact CB-CE2 4.21Å; V576-Y589 HydrophobicContact CG2-CD2 3.87Å; V576-Y589 HydrophobicContact CG2-CE2 3.74Å; V576-F622 HydrophobicContact CG2-CE2 4.19Å; V576-F622 HydrophobicContact CG2-CZ 4.38Å; V576-Y626 HydrophobicContact CG1-CE1 4.21Å; V576-Y626 WeakPolarHBondContact CG1-OH 3.42Å; V576-Y626 HydrophobicContact CG2-CD2 4.4Å; V576-Y626 HydrophobicContact CG2-CE2 3.72Å |
| 577 | P | 91.2 | Very high | 90.6 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | trans | -73.1 | 148.1 | -179.7 | 30.6 | -33.9 | 0 | 0 | 0 | 111.4 | L545 L575 Y626 | L545-P577 HydrophobicContact CD1-CB 3.97Å; L545-P577 HydrophobicContact CD2-CB 4.23Å; L575-P577 WeakPolarHBondContact O-CD 3.49Å; P577-Y626 HydrophobicContact CG-CD1 4.35Å; P577-Y626 HydrophobicContact CG-CE1 4.49Å | ||
| 578 | S | 86.2 | Confident | 90.9 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | trans | -67.3 | 138 | 168.1 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | P586 | S578-P586 WeakPolarHBondContact OG-CB 3.38Š| ||
| 579 | T | 85.6 | Confident | 91.2 | Very high | 71 Ų | 71 | 36.9 Ų | 36.9 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | trans | -130.1 | 162.4 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | V581 S583 | T579-V581 VanDerWaalsContact C-N 3.26Å; T579-V581 PolarHBondContact O-N 2.84Å; T579-V581 PolarHBondContact OG1-O 2.83Å; T579-S583 WeakPolarHBondContact OG1-CB 3.27Å; T579-S583 PolarHBondContact OG1-OG 3.35Å | ||
| 580 | D | 81.8 | Confident | 91.5 | Very high | 179 Ų | 179 | 31.4 Ų | 31.4 | 96% | 0.957 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -76.2 | -15.4 | -177.5 | -56.8 | -32.3 | 0 | 0 | 0 | 113.2 | ||
| 581 | V | 84.5 | Confident | 91.7 | Very high | 114 Ų | 114 | 30.1 Ų | 30.1 | 69% | 0.691 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -107.6 | 153.8 | 177.2 | -80.2 | 0 | 0 | 0 | 0 | 110.3 | T579 S583 | T579-V581 VanDerWaalsContact C-N 3.26Å; T579-V581 PolarHBondContact O-N 2.84Å; T579-V581 PolarHBondContact OG1-O 2.83Å; V581-S583 PolarHBondContact O-N 2.95Å |
| 582 | G | 79.5 | Confident | 91.6 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -63.3 | 78.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G322 L323 | G322-G582 WeakPolarHBondContact O-CA 3.38Å; L323-G582 WeakPolarHBondContact O-CA 3.15Å |
| 583 | S | 89.8 | Confident | 91.4 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | trans | -96.5 | -157.6 | 178.6 | 73.9 | 0 | 0 | 0 | 0 | 110.5 | C324 C325 T579 V581 | C324-S583 CarbonylContact C-O 3.52Å; C324-S583 VanDerWaalsContact CA-O 3.25Å; C324-S583 WeakPolarHBondContact CA-O 3.37Å; C325-S583 PolarHBondContact N-O 2.96Å; C325-S583 VanDerWaalsContact SG-C 3.51Å; T579-S583 WeakPolarHBondContact OG1-CB 3.27Å; T579-S583 PolarHBondContact OG1-OG 3.35Å; V581-S583 PolarHBondContact O-N 2.95Å | ||
| 584 | Q | 93 | Very high | 91.3 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -66.1 | 144 | 175.9 | -168.6 | 164.9 | 2.5 | 0 | 0 | 111 | Y152 E327 M333 V576 Y626 | Y152-Q584 PolarHBondContact OH-NE2 2.66Å; E327-Q584 WeakPolarHBondContact OE1-CG 3.19Å; E327-Q584 PolarHBondContact OE1-NE2 3.01Å; E327-Q584 VanDerWaalsContact OE1-NE2 3.08Å; M333-Q584 VanDerWaalsContact CE-OE1 3.3Å; V576-Q584 HydrophobicContact CG1-CB 4.08Å; V576-Q584 HydrophobicContact CG1-CG 4.34Å; Q584-Y626 WeakPolarHBondContact CB-OH 3.31Å; Q584-Y626 PolarHBondContact OE1-OH 2.96Å |
| 585 | Y | 93.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 125.7 | -177.3 | -164.2 | -85.5 | 0 | 0 | 0 | 110.9 | F311 K315 A318 C324 P531 Y589 | F311-Y585 HydrophobicContact CE2-CD1 4.08Å; F311-Y585 AromaticContact CE2-CE1 3.56Å; F311-Y585 HydrophobicContact CE2-CE1 3.56Å; F311-Y585 HydrophobicContact CZ-CD1 4.08Å; F311-Y585 HydrophobicContact CZ-CE1 4.03Å; K315-Y585 HydrophobicContact CB-CD2 4.23Å; K315-Y585 HydrophobicContact CB-CE2 4.29Å; K315-Y585 HydrophobicContact CD-CG 4.19Å; K315-Y585 HydrophobicContact CG-CD2 3.84Å; K315-Y585 HydrophobicContact CG-CE2 4.4Å; K315-Y585 HydrophobicContact CG-CG 3.92Å; A318-Y585 HydrophobicContact CB-CD2 3.92Å; A318-Y585 HydrophobicContact CB-CE2 3.64Å; C324-Y585 HydrophobicContact CB-CD2 4.36Å; P531-Y585 HydrophobicContact CG-CE1 4.29Å; Y585-Y589 WeakPolarHBondContact CD1-OH 3.39Å; Y585-Y589 PolarHBondContact O-OH 3.05Å; Y585-Y589 VanDerWaalsContact O-OH 3.09Å |
| 586 | P | 92.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 21% | 0.214 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 149.8 | -171.1 | 31.9 | -36.8 | 0 | 0 | 0 | 112.6 | L530 P531 V576 S578 | L530-P586 HydrophobicContact CD2-CB 3.74Å; L530-P586 HydrophobicContact CD2-CG 4.48Å; P531-P586 WeakPolarHBondContact CD-O 3.49Å; V576-P586 WeakPolarHBondContact O-CA 3.41Å; S578-P586 WeakPolarHBondContact OG-CB 3.38Å |
| 587 | G | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P531 V576 | P531-G587 WeakPolarHBondContact O-CA 3.47Å; V576-G587 PolarHBondContact N-O 3.11Å; V576-G587 PolarHBondContact O-N 3.5Å |
| 588 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 105 | 170.4 | -179.3 | 63.8 | 0 | 0 | 0 | 108.7 | P531 V532 L533 L542 L551 A552 L555 I573 L575 L590 | P531-L588 PolarHBondContact O-N 3.32Å; V532-L588 WeakPolarHBondContact CA-O 3.49Å; V532-L588 HydrophobicContact CG1-CB 4.34Å; V532-L588 HydrophobicContact CG1-CD2 4.03Å; V532-L588 HydrophobicContact CG1-CG 4.31Å; V532-L588 HydrophobicContact CG2-CB 4.13Å; V532-L588 HydrophobicContact CG2-CD2 4.32Å; L533-L588 PolarHBondContact N-O 2.85Å; L542-L588 HydrophobicContact CD1-CD2 4.34Å; L551-L588 HydrophobicContact CD2-CD2 3.82Å; L551-L588 HydrophobicContact CG-CD2 4.26Å; A552-L588 HydrophobicContact CB-CD1 4.36Å; L555-L588 HydrophobicContact CD1-CD2 4.33Å; I573-L588 HydrophobicContact CG2-CD1 4.12Å; L575-L588 HydrophobicContact CB-CD1 4.1Å; L575-L588 HydrophobicContact CD1-CB 4.46Å; L575-L588 HydrophobicContact CD1-CD1 4.4Å; L588-L590 HydrophobicContact CD1-CD2 4.02Å; L588-L590 HydrophobicContact CD2-CD2 4.4Å; L588-L590 HydrophobicContact CG-CD2 3.97Å; L588-L590 HydrophobicContact CG-CG 4.27Å |
| 589 | Y | 96.4 | Very high | 92 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.1 | 178.8 | -52.7 | -78 | 0 | 0 | 0 | 110 | Y152 F311 L533 T574 V576 Y585 F622 | Y152-Y589 HydrophobicContact CD2-CD1 4.21Å; Y152-Y589 HydrophobicContact CD2-CE1 4.48Å; Y152-Y589 AromaticContact CE2-CD1 3.89Å; Y152-Y589 HydrophobicContact CE2-CD1 3.89Å; Y152-Y589 HydrophobicContact CE2-CD2 4.32Å; Y152-Y589 AromaticContact CE2-CE1 3.85Å; Y152-Y589 HydrophobicContact CE2-CE1 3.85Å; Y152-Y589 HydrophobicContact CE2-CE2 4.26Å; Y152-Y589 HydrophobicContact CE2-CG 4.13Å; F311-Y589 HydrophobicContact CZ-CE1 4.17Å; L533-Y589 HydrophobicContact CB-CD1 4.18Å; L533-Y589 HydrophobicContact CD1-CD1 4.12Å; L533-Y589 HydrophobicContact CD1-CE1 3.88Å; L533-Y589 HydrophobicContact CD2-CE1 4.49Å; T574-Y589 WeakPolarHBondContact CB-O 3.3Å; T574-Y589 PolarHBondContact N-O 3.45Å; T574-Y589 PolarHBondContact O-N 2.88Å; V576-Y589 HydrophobicContact CB-CE2 4.21Å; V576-Y589 HydrophobicContact CG2-CD2 3.87Å; V576-Y589 HydrophobicContact CG2-CE2 3.74Å; Y585-Y589 WeakPolarHBondContact CD1-OH 3.39Å; Y585-Y589 PolarHBondContact O-OH 3.05Å; Y585-Y589 VanDerWaalsContact O-OH 3.09Å; Y589-F622 HydrophobicContact CD2-CZ 4.4Å |
| 590 | L | 96.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.5 | -178 | -57.3 | 179.1 | 0 | 0 | 0 | 109 | L506 V532 L533 L534 D535 L555 M571 E572 I573 L588 | L506-L590 HydrophobicContact CD1-CD1 3.6Å; L506-L590 HydrophobicContact CD2-CD1 4.04Å; L506-L590 HydrophobicContact CG-CD1 4.47Å; V532-L590 HydrophobicContact CG1-CD1 4.24Å; L533-L590 WeakPolarHBondContact O-CB 3.43Å; L533-L590 PolarHBondContact O-N 2.75Å; L534-L590 WeakPolarHBondContact CA-O 3.47Å; L534-L590 HydrophobicContact CD1-CB 3.92Å; D535-L590 PolarHBondContact N-O 3.06Å; L555-L590 HydrophobicContact CD1-CD1 4.03Å; L555-L590 HydrophobicContact CD1-CD2 3.76Å; M571-L590 HydrophobicContact CE-CB 3.54Å; M571-L590 HydrophobicContact CE-CD1 3.71Å; M571-L590 HydrophobicContact CE-CD2 4.12Å; M571-L590 HydrophobicContact CE-CG 3.98Å; E572-L590 WeakPolarHBondContact O-CA 3.39Å; I573-L590 HydrophobicContact CB-CD2 4.25Å; I573-L590 HydrophobicContact CG1-CD2 4.19Å; I573-L590 HydrophobicContact CG2-CD2 3.89Å; L588-L590 HydrophobicContact CD1-CD2 4.02Å; L588-L590 HydrophobicContact CD2-CD2 4.4Å; L588-L590 HydrophobicContact CG-CD2 3.97Å; L588-L590 HydrophobicContact CG-CG 4.27Å |
| 591 | F | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 2% | 0.022 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.4 | -179.5 | -54.2 | -83.1 | 0 | 0 | 0 | 111.4 | R149 Y152 D535 M571 E572 R596 F622 | R149-F591 VanDerWaalsContact NH1-CG 3.28Å; Y152-F591 HydrophobicContact CD2-CE1 4.38Å; Y152-F591 AromaticContact CD2-CZ 3.92Å; Y152-F591 HydrophobicContact CD2-CZ 3.92Å; Y152-F591 HydrophobicContact CG-CZ 4.42Å; D535-F591 VanDerWaalsContact OD1-CA 3.3Å; D535-F591 WeakPolarHBondContact OD1-CA 3.26Å; M571-F591 WeakPolarHBondContact CA-O 3.42Å; E572-F591 HydrophobicContact CB-CB 4.27Å; E572-F591 HydrophobicContact CB-CD2 4.46Å; E572-F591 HydrophobicContact CG-CD2 4.21Å; E572-F591 PolarHBondContact N-O 3.09Å; E572-F591 PolarHBondContact O-N 3.4Å; F591-R596 PolarHBondContact O-NH1 3.2Å; F591-R596 VanDerWaalsContact O-NH1 3.12Å; F591-R596 PolarHBondContact O-NH2 3.05Å; F591-F622 AromaticContact CE2-CD1 3.6Å; F591-F622 HydrophobicContact CE2-CD1 3.6Å; F591-F622 HydrophobicContact CE2-CE1 4.02Å; F591-F622 AromaticContact CZ-CD1 3.86Å; F591-F622 HydrophobicContact CZ-CD1 3.86Å; F591-F622 AromaticContact CZ-CE1 3.95Å; F591-F622 HydrophobicContact CZ-CE1 3.95Å |
| 592 | A | 93.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | trans | -116.9 | -11.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P494 L499 I502 D535 R596 | P494-A592 VanDerWaalsContact CD-O 3.3Å; P494-A592 WeakPolarHBondContact CD-O 3.49Å; P494-A592 HydrophobicContact CG-CB 4.16Å; P494-A592 WeakPolarHBondContact CG-O 3.32Å; L499-A592 HydrophobicContact CD2-CB 3.85Å; I502-A592 HydrophobicContact CD1-CB 4.49Å; D535-A592 PolarHBondContact OD1-N 3.37Å; D535-A592 WeakPolarHBondContact OD2-CA 3.34Å; D535-A592 WeakPolarHBondContact OD2-CB 3.48Å; D535-A592 PolarHBondContact OD2-N 2.8Å; D535-A592 VanDerWaalsContact OD2-N 3.15Å; A592-R596 PolarHBondContact O-NH2 3.4Å | ||
| 593 | G | 90.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | trans | -55.2 | 160.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | D535 R596 | D535-G593 PolarHBondContact OD1-N 3.25Å; D535-G593 PolarHBondContact OD2-N 2.72Å; G593-R596 PolarHBondContact O-NE 3.01Å; G593-R596 PolarHBondContact O-NH2 3.5Å; G593-R596 VanDerWaalsContact O-NH2 3.14Å | ||
| 594 | G | 92.1 | Very high | 94 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -70.5 | -177.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R150 V490 R596 | R150-G594 PolarHBondContact NE-O 3.03Å; V490-G594 CarbonylContact O-C 3.33Å; V490-G594 WeakPolarHBondContact O-CA 3.47Å; G594-R596 PolarHBondContact O-N 3.25Å |
| 595 | S | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 63.9 | 0.9 | 177.8 | -78.1 | 0 | 0 | 0 | 0 | 117.1 | R150 V337 V490 | R150-S595 VanDerWaalsContact NH2-CB 3.31Å; R150-S595 PolarHBondContact NH2-OG 3.05Å; V337-S595 PolarHBondContact N-O 3.24Å; V337-S595 WeakPolarHBondContact O-CB 3.07Å; V337-S595 PolarHBondContact O-OG 2.64Å; V490-S595 PolarHBondContact O-N 3.41Å |
| 596 | R | 95.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | trans | -76.2 | 144.8 | 175.1 | -66.1 | -179.7 | -66.5 | 119.8 | 4.9 | 111.1 | A489 V490 T570 E572 F591 A592 G593 G594 | A489-R596 CarbonylContact C-O 3.57Å; A489-R596 VanDerWaalsContact CA-O 3.28Å; A489-R596 WeakPolarHBondContact CA-O 3.23Å; V490-R596 HydrophobicContact CG2-CB 4.24Å; V490-R596 PolarHBondContact N-O 3.33Å; T570-R596 PolarHBondContact O-NH1 2.94Å; T570-R596 PolarHBondContact O-NH2 3.12Å; E572-R596 IonicContact OE2-NH1 2.81Å; F591-R596 PolarHBondContact O-NH1 3.2Å; F591-R596 VanDerWaalsContact O-NH1 3.12Å; F591-R596 PolarHBondContact O-NH2 3.05Å; A592-R596 PolarHBondContact O-NH2 3.4Å; G593-R596 PolarHBondContact O-NE 3.01Å; G593-R596 PolarHBondContact O-NH2 3.5Å; G593-R596 VanDerWaalsContact O-NH2 3.14Å; G594-R596 PolarHBondContact O-N 3.25Å | ||
| 597 | L | 96.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.6 | 169.5 | -65.3 | 177.8 | 0 | 0 | 0 | 109.1 | V337 F465 F466 L483 V487 A489 G620 T621 | V337-L597 HydrophobicContact CB-CD2 4.37Å; V337-L597 HydrophobicContact CG2-CD1 3.78Å; V337-L597 HydrophobicContact CG2-CD2 3.78Å; V337-L597 HydrophobicContact CG2-CG 3.77Å; F465-L597 HydrophobicContact CD1-CB 4Å; F465-L597 HydrophobicContact CE1-CB 4.34Å; F466-L597 HydrophobicContact CE1-CD1 4.08Å; F466-L597 HydrophobicContact CZ-CD1 3.92Å; L483-L597 HydrophobicContact CD1-CD2 4.28Å; L483-L597 HydrophobicContact CD2-CD1 3.85Å; L483-L597 HydrophobicContact CD2-CD2 3.93Å; V487-L597 HydrophobicContact CG1-CB 4.28Å; V487-L597 HydrophobicContact CG1-CD2 4.03Å; A489-L597 HydrophobicContact CB-CD2 4.13Å; L597-G620 WeakPolarHBondContact O-CA 3.38Å; L597-T621 HydrophobicContact CB-CG2 4.14Å |
| 598 | L | 96.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.1 | 175.2 | -60 | 177.5 | 0 | 0 | 0 | 109.6 | V487 E488 V490 T570 W618 I619 | V487-L598 WeakPolarHBondContact CA-O 3.36Å; E488-L598 PolarHBondContact N-O 3.46Å; E488-L598 PolarHBondContact O-N 3.2Å; V490-L598 HydrophobicContact CG2-CD1 3.4Å; V490-L598 VanDerWaalsContact CG2-CD1 3.4Å; V490-L598 HydrophobicContact CG2-CG 3.82Å; T570-L598 HydrophobicContact CG2-CD1 3.94Å; L598-W618 HydrophobicContact CB-CB 4.4Å; L598-W618 HydrophobicContact CB-CE3 3.82Å; L598-W618 HydrophobicContact CD1-CB 4.32Å; L598-I619 CarbonylContact C-O 3.59Å; L598-I619 VanDerWaalsContact CA-O 3.25Å; L598-I619 WeakPolarHBondContact CA-O 3.37Å |
| 599 | R | 96.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.1 | 171 | 74.4 | 179.6 | -168.3 | 97.4 | -12.1 | 110.9 | F465 V487 W618 I619 Q624 I629 E648 | F465-R599 HydrophobicContact CD1-CB 4.32Å; F465-R599 HydrophobicContact CD1-CG 4.47Å; F465-R599 HydrophobicContact CE1-CB 3.91Å; F465-R599 HydrophobicContact CE1-CG 3.81Å; F465-R599 HydrophobicContact CE2-CG 4.35Å; F465-R599 HydrophobicContact CZ-CB 4.35Å; F465-R599 HydrophobicContact CZ-CG 3.72Å; V487-R599 HydrophobicContact CG2-CB 4.2Å; R599-W618 CarbonylContact O-C 3.43Å; R599-W618 WeakPolarHBondContact O-CA 3.48Å; R599-I619 HydrophobicContact CG-CD1 4.28Å; R599-I619 HydrophobicContact CG-CG1 3.75Å; R599-I619 PolarHBondContact N-O 3.34Å; R599-I619 PolarHBondContact O-N 3.42Å; R599-Q624 VanDerWaalsContact CZ-OE1 3.24Å; R599-I629 VanDerWaalsContact NH2-CD1 3.3Å; R599-E648 IonicContact CZ-OE1 2.64Å; R599-E648 VanDerWaalsContact CZ-OE1 3.25Å; R599-E648 IonicContact CZ-OE2 2.58Å; R599-E648 IonicContact NH1-OE1 3.12Å; R599-E648 PolarHBondContact NH1-OE1 3.07Å; R599-E648 IonicContact NH1-OE2 3.53Å; R599-E648 PolarHBondContact NH1-OE2 3.5Å; R599-E648 IonicContact NH2-OE1 3.86Å; R599-E648 PolarHBondContact NH2-OE1 3.23Å; R599-E648 IonicContact NH2-OE2 2.9Å |
| 600 | P | 96 | Very high | 88.7 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136 | -179.7 | 34.8 | -33.6 | 0 | 0 | 0 | 111.8 | P486 I616 E617 W618 I649 | P486-P600 HydrophobicContact CB-CG 3.76Å; P600-I616 HydrophobicContact CB-CG2 3.55Å; P600-E617 CarbonylContact C-O 3.5Å; P600-E617 WeakPolarHBondContact CA-O 3.38Å; P600-W618 HydrophobicContact CB-CD2 4.33Å; P600-W618 HydrophobicContact CB-CE3 4.25Å; P600-W618 HydrophobicContact CB-CH2 4.28Å; P600-W618 HydrophobicContact CB-CZ2 4.34Å; P600-W618 HydrophobicContact CB-CZ3 4.24Å; P600-W618 HydrophobicContact CG-CH2 4.2Å; P600-W618 HydrophobicContact CG-CZ3 4.16Å; P600-I649 HydrophobicContact CB-CD1 3.66Å; P600-I649 HydrophobicContact CG-CD1 3.9Å |
| 601 | V | 95.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.9 | 172.6 | -68 | 0 | 0 | 0 | 0 | 110.1 | I616 E617 I619 I629 | V601-I616 CarbonylContact O-C 3.58Å; V601-I616 WeakPolarHBondContact O-CA 3.25Å; V601-E617 HydrophobicContact CG2-CB 4.45Å; V601-E617 PolarHBondContact N-O 3.14Å; V601-E617 PolarHBondContact O-N 3.29Å; V601-I619 HydrophobicContact CG1-CD1 3.75Å; V601-I619 HydrophobicContact CG1-CG1 4.19Å; V601-I619 HydrophobicContact CG2-CB 4.49Å; V601-I619 HydrophobicContact CG2-CD1 3.91Å; V601-I619 HydrophobicContact CG2-CG1 4Å; V601-I619 HydrophobicContact CG2-CG2 3.74Å; V601-I629 HydrophobicContact CG1-CD1 4.43Å; V601-I629 HydrophobicContact CG1-CG2 4.28Å |
| 602 | K | 93.2 | Very high | 86.7 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 27% | 0.274 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.8 | 172.1 | -66.1 | 174.1 | -177 | 164.9 | 0 | 109 | D614 V615 H646 I647 I649 | K602-D614 HydrophobicContact CB-CB 4.23Å; K602-D614 HydrophobicContact CD-CB 4.32Å; K602-D614 HydrophobicContact CG-CB 4.39Å; K602-V615 WeakPolarHBondContact CA-O 3.21Å; K602-H646 VanDerWaalsContact O-CA 3.25Å; K602-H646 WeakPolarHBondContact O-CA 3.23Å; K602-I647 HydrophobicContact CB-CG2 3.73Å; K602-I647 HydrophobicContact CD-CG2 4.02Å; K602-I647 HydrophobicContact CG-CG2 4.46Å; K602-I647 PolarHBondContact N-O 2.92Å; K602-I647 PolarHBondContact O-N 3.44Å; K602-I649 HydrophobicContact CG-CG1 4.02Å |
| 603 | N | 90.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.4 | 171.3 | -176.6 | -32.6 | 0 | 0 | 0 | 109.1 | Q605 C606 V615 E617 | N603-Q605 WeakPolarHBondContact OD1-CA 3.33Å; N603-Q605 WeakPolarHBondContact OD1-CB 3.27Å; N603-Q605 PolarHBondContact OD1-N 2.89Å; N603-C606 PolarHBondContact ND2-SG 3.18Å; N603-C606 PolarHBondContact OD1-N 3.34Å; N603-C606 VanDerWaalsContact OD1-N 3.1Å; N603-V615 PolarHBondContact N-O 2.95Å; N603-E617 HydrophobicContact CB-CB 4.01Å; N603-E617 PolarHBondContact ND2-OE2 3.3Å |
| 604 | L | 87.9 | Confident | 85.3 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -94.5 | -16.3 | -176.7 | -60 | 174 | 0 | 0 | 0 | 113.2 | L636 S645 I647 | L604-L636 HydrophobicContact CD1-CD1 3.67Å; L604-L636 HydrophobicContact CD1-CD2 3.47Å; L604-L636 VanDerWaalsContact CD1-CD2 3.47Å; L604-L636 HydrophobicContact CD1-CG 4.21Å; L604-S645 PolarHBondContact N-O 3.44Å; L604-I647 HydrophobicContact CD1-CB 4.31Å; L604-I647 HydrophobicContact CD1-CG2 4.18Å; L604-I647 HydrophobicContact CD2-CG2 3.97Å; L604-I647 HydrophobicContact CG-CG2 4.2Å |
| 605 | Q | 82.9 | Confident | 85.2 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -85.1 | -23 | -179.7 | -63.4 | 179.9 | -26 | 0 | 0 | 112.2 | L553 N603 | L553-Q605 HydrophobicContact CD1-CB 4.11Å; N603-Q605 WeakPolarHBondContact OD1-CA 3.33Å; N603-Q605 WeakPolarHBondContact OD1-CB 3.27Å; N603-Q605 PolarHBondContact OD1-N 2.89Å |
| 606 | C | 77.2 | Confident | 85 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -74.9 | 146.3 | 175.7 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | N557 V560 N603 K608 V615 | N557-C606 PolarHBondContact OD1-SG 3.23Å; V560-C606 HydrophobicContact CG2-CB 4.1Å; V560-C606 VanDerWaalsContact CG2-SG 3.56Å; N603-C606 PolarHBondContact ND2-SG 3.18Å; N603-C606 PolarHBondContact OD1-N 3.34Å; N603-C606 VanDerWaalsContact OD1-N 3.1Å; C606-K608 PolarHBondContact O-N 3.22Å; C606-V615 HydrophobicContact CB-CG2 4.49Å |
| 607 | P | 72.5 | Confident | 84.9 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 137.9 | 171 | 22.7 | -30.4 | 0 | 0 | 0 | 110.1 | V615 | P607-V615 VanDerWaalsContact O-CG2 3.25Å; P607-V615 WeakPolarHBondContact O-CG2 3.45Å |
| 608 | K | 77.1 | Confident | 84.9 | Confident | 137 Ų | 137 | 56.4 Ų | 56.4 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 146 | 177.6 | -68.1 | -173.7 | 169.6 | -165.4 | 0 | 110.2 | C606 G612 D614 | C606-K608 PolarHBondContact O-N 3.22Å; K608-G612 WeakPolarHBondContact CD-O 3.44Å; K608-D614 WeakPolarHBondContact CE-OD1 3.42Å; K608-D614 IonicContact NZ-OD1 3.68Å |
| 609 | N | 74.3 | Confident | 84.9 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 172.8 | 178 | 59 | 33.5 | 0 | 0 | 0 | 111.5 | A611 G612 K613 V615 | N609-A611 PolarHBondContact O-N 3.23Å; N609-A611 PolarHBondContact OD1-N 2.69Å; N609-G612 PolarHBondContact O-N 3.44Å; N609-G612 PolarHBondContact OD1-N 2.65Å; N609-K613 PolarHBondContact N-O 2.92Å; N609-K613 PolarHBondContact ND2-O 3.4Å; N609-K613 VanDerWaalsContact ND2-O 3.17Å; N609-K613 WeakPolarHBondContact OD1-CA 3.3Å; N609-K613 PolarHBondContact OD1-N 3.47Å; N609-K613 PolarHBondContact OD1-O 3.27Å; N609-V615 HydrophobicContact CB-CG2 4.2Å |
| 610 | S | 68.1 | Low | 84.8 | Confident | 142 Ų | 142 | 55.9 Ų | 55.9 | 99% | 0.993 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.7 | -179 | -34.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 611 | A | 73.7 | Confident | 84.8 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 65% | 0.653 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 7.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N609 K613 | N609-A611 PolarHBondContact O-N 3.23Å; N609-A611 PolarHBondContact OD1-N 2.69Å; A611-K613 PolarHBondContact O-N 2.97Å |
| 612 | G | 74.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 69 | 16.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K608 N609 | K608-G612 WeakPolarHBondContact CD-O 3.44Å; N609-G612 PolarHBondContact O-N 3.44Å; N609-G612 PolarHBondContact OD1-N 2.65Å |
| 613 | K | 76.3 | Confident | 85 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 153.6 | 177 | -67.2 | -176.6 | 179.1 | -178.5 | 0 | 110.8 | N609 A611 | N609-K613 PolarHBondContact N-O 2.92Å; N609-K613 PolarHBondContact ND2-O 3.4Å; N609-K613 VanDerWaalsContact ND2-O 3.17Å; N609-K613 WeakPolarHBondContact OD1-CA 3.3Å; N609-K613 PolarHBondContact OD1-N 3.47Å; N609-K613 PolarHBondContact OD1-O 3.27Å; A611-K613 PolarHBondContact O-N 2.97Å |
| 614 | D | 80.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 146.1 | 174.7 | -49.6 | -38.9 | 0 | 0 | 0 | 110.3 | K602 K608 | K602-D614 HydrophobicContact CB-CB 4.23Å; K602-D614 HydrophobicContact CD-CB 4.32Å; K602-D614 HydrophobicContact CG-CB 4.39Å; K608-D614 WeakPolarHBondContact CE-OD1 3.42Å; K608-D614 IonicContact NZ-OD1 3.68Å |
| 615 | V | 88.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136.3 | -174.3 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | V560 K602 N603 C606 P607 N609 | V560-V615 HydrophobicContact CB-CG1 3.72Å; V560-V615 HydrophobicContact CG1-CG1 4.07Å; V560-V615 HydrophobicContact CG2-CG1 4.21Å; K602-V615 WeakPolarHBondContact CA-O 3.21Å; N603-V615 PolarHBondContact N-O 2.95Å; C606-V615 HydrophobicContact CB-CG2 4.49Å; P607-V615 VanDerWaalsContact O-CG2 3.25Å; P607-V615 WeakPolarHBondContact O-CG2 3.45Å; N609-V615 HydrophobicContact CB-CG2 4.2Å |
| 616 | I | 91.5 | Very high | 86 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.2 | 176.3 | -62.4 | 174.7 | 0 | 0 | 0 | 108.5 | P600 V601 I649 | P600-I616 HydrophobicContact CB-CG2 3.55Å; V601-I616 CarbonylContact O-C 3.58Å; V601-I616 WeakPolarHBondContact O-CA 3.25Å; I616-I649 HydrophobicContact CD1-CD1 4.24Å; I616-I649 HydrophobicContact CG1-CD1 4.3Å; I616-I649 HydrophobicContact CG2-CD1 4.14Å |
| 617 | E | 93.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.4 | 171.9 | -176.9 | 172.3 | 177 | 0 | 0 | 110.5 | R556 K559 V560 P600 V601 N603 I619 H646 | R556-E617 WeakPolarHBondContact CD-OE1 3.48Å; R556-E617 WeakPolarHBondContact CG-OE1 3.38Å; R556-E617 IonicContact NE-OE1 2.54Å; K559-E617 VanDerWaalsContact CE-CG 3.47Å; K559-E617 WeakPolarHBondContact CE-OE1 3.44Å; K559-E617 IonicContact NZ-OE1 2.74Å; K559-E617 PolarHBondContact NZ-OE1 3.06Å; V560-E617 HydrophobicContact CG1-CB 4.23Å; V560-E617 HydrophobicContact CG1-CG 4.39Å; P600-E617 CarbonylContact C-O 3.5Å; P600-E617 WeakPolarHBondContact CA-O 3.38Å; V601-E617 HydrophobicContact CG2-CB 4.45Å; V601-E617 PolarHBondContact N-O 3.14Å; V601-E617 PolarHBondContact O-N 3.29Å; N603-E617 HydrophobicContact CB-CB 4.01Å; N603-E617 PolarHBondContact ND2-OE2 3.3Å; E617-I619 HydrophobicContact CG-CG2 4.15Å; E617-H646 IonicContact OE2-NE2 2.81Å; E617-H646 PolarHBondContact OE2-NE2 3.4Å; E617-H646 VanDerWaalsContact OE2-NE2 3.16Å |
| 618 | W | 95.1 | Very high | 87.6 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.9 | 171.1 | -70.4 | 89.6 | 0 | 0 | 0 | 110.3 | E488 K559 L598 R599 P600 | E488-W618 HydrophobicContact CB-CH2 4.3Å; E488-W618 HydrophobicContact CB-CZ3 4.01Å; E488-W618 HydrophobicContact CG-CH2 3.81Å; E488-W618 HydrophobicContact CG-CZ3 3.98Å; K559-W618 WeakPolarHBondContact CE-O 3.09Å; K559-W618 PolarHBondContact NZ-O 3.02Å; L598-W618 HydrophobicContact CB-CB 4.4Å; L598-W618 HydrophobicContact CB-CE3 3.82Å; L598-W618 HydrophobicContact CD1-CB 4.32Å; R599-W618 CarbonylContact O-C 3.43Å; R599-W618 WeakPolarHBondContact O-CA 3.48Å; P600-W618 HydrophobicContact CB-CD2 4.33Å; P600-W618 HydrophobicContact CB-CE3 4.25Å; P600-W618 HydrophobicContact CB-CH2 4.28Å; P600-W618 HydrophobicContact CB-CZ2 4.34Å; P600-W618 HydrophobicContact CB-CZ3 4.24Å; P600-W618 HydrophobicContact CG-CH2 4.2Å; P600-W618 HydrophobicContact CG-CZ3 4.16Å |
| 619 | I | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.1 | 179.3 | 62.6 | 168.3 | 0 | 0 | 0 | 112.1 | L598 R599 V601 E617 E623 L627 I629 | L598-I619 CarbonylContact C-O 3.59Å; L598-I619 VanDerWaalsContact CA-O 3.25Å; L598-I619 WeakPolarHBondContact CA-O 3.37Å; R599-I619 HydrophobicContact CG-CD1 4.28Å; R599-I619 HydrophobicContact CG-CG1 3.75Å; R599-I619 PolarHBondContact N-O 3.34Å; R599-I619 PolarHBondContact O-N 3.42Å; V601-I619 HydrophobicContact CG1-CD1 3.75Å; V601-I619 HydrophobicContact CG1-CG1 4.19Å; V601-I619 HydrophobicContact CG2-CB 4.49Å; V601-I619 HydrophobicContact CG2-CD1 3.91Å; V601-I619 HydrophobicContact CG2-CG1 4Å; V601-I619 HydrophobicContact CG2-CG2 3.74Å; E617-I619 HydrophobicContact CG-CG2 4.15Å; I619-E623 WeakPolarHBondContact CA-OE1 3.26Å; I619-E623 HydrophobicContact CB-CG 4.07Å; I619-L627 HydrophobicContact CB-CD1 4.41Å; I619-L627 HydrophobicContact CD1-CD1 4.39Å; I619-L627 HydrophobicContact CG2-CD1 3.89Å; I619-I629 HydrophobicContact CD1-CD1 3.35Å |
| 620 | G | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 172.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F465 E572 L597 F622 E623 Q624 | F465-G620 WeakPolarHBondContact CZ-O 3.39Å; E572-G620 VanDerWaalsContact OE1-CA 3.3Å; E572-G620 WeakPolarHBondContact OE1-CA 3.34Å; L597-G620 WeakPolarHBondContact O-CA 3.38Å; G620-F622 VanDerWaalsContact C-N 3.3Å; G620-F622 PolarHBondContact O-N 3.06Å; G620-E623 PolarHBondContact N-OE1 2.9Å; G620-Q624 PolarHBondContact O-N 2.81Å |
| 621 | T | 96 | Very high | 90.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -30.5 | -176.4 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | R149 P332 F465 E572 L597 | R149-T621 PolarHBondContact NH2-OG1 2.86Å; P332-T621 WeakPolarHBondContact O-CB 3.37Å; P332-T621 PolarHBondContact O-OG1 2.99Å; F465-T621 HydrophobicContact CB-CG2 4.38Å; F465-T621 HydrophobicContact CD1-CG2 3.69Å; F465-T621 HydrophobicContact CD2-CG2 3.74Å; F465-T621 HydrophobicContact CE1-CG2 3.81Å; F465-T621 HydrophobicContact CE2-CG2 3.85Å; F465-T621 HydrophobicContact CG-CG2 3.67Å; F465-T621 HydrophobicContact CZ-CG2 3.9Å; E572-T621 PolarHBondContact OE1-N 3.21Å; L597-T621 HydrophobicContact CB-CG2 4.14Å |
| 622 | F | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -48.1 | -176.6 | -166.5 | 170.9 | 0 | 0 | 0 | 110.5 | Y152 M333 F334 E572 T574 V576 Y589 F591 G620 Q624 V625 Y626 | Y152-F622 HydrophobicContact CD2-CE1 4.02Å; Y152-F622 HydrophobicContact CE1-CE1 4.3Å; Y152-F622 AromaticContact CE2-CE1 3.69Å; Y152-F622 HydrophobicContact CE2-CE1 3.69Å; Y152-F622 HydrophobicContact CE2-CZ 4Å; Y152-F622 HydrophobicContact CG-CE1 4.45Å; Y152-F622 AromaticContact CZ-CE1 3.85Å; Y152-F622 AromaticContact CZ-CZ 3.87Å; M333-F622 HydrophobicContact CG-CB 3.93Å; M333-F622 HydrophobicContact CG-CD1 4.25Å; M333-F622 HydrophobicContact CG-CD2 3.23Å; M333-F622 HydrophobicContact CG-CE2 3.75Å; M333-F622 HydrophobicContact CG-CG 3.53Å; M333-F622 HydrophobicContact CG-CZ 4.47Å; M333-F622 HydrophobicContact SD-CD2 3.17Å; M333-F622 WeakPolarHBondContact SD-CD2 3.42Å; M333-F622 HydrophobicContact SD-CE2 3.31Å; M333-F622 WeakPolarHBondContact SD-CE2 3.47Å; M333-F622 HydrophobicContact SD-CG 4.11Å; M333-F622 HydrophobicContact SD-CZ 4.34Å; F334-F622 HydrophobicContact CE1-CE1 4.4Å; F334-F622 HydrophobicContact CE1-CZ 4.16Å; E572-F622 WeakPolarHBondContact OE1-CA 3.5Å; E572-F622 VanDerWaalsContact OE1-CB 3.23Å; E572-F622 WeakPolarHBondContact OE1-CB 2.92Å; E572-F622 PolarHBondContact OE1-N 2.69Å; T574-F622 HydrophobicContact CG2-CB 4.4Å; T574-F622 HydrophobicContact CG2-CD1 4.19Å; T574-F622 HydrophobicContact CG2-CD2 3.4Å; T574-F622 VanDerWaalsContact CG2-CD2 3.4Å; T574-F622 HydrophobicContact CG2-CE1 4.33Å; T574-F622 HydrophobicContact CG2-CE2 3.58Å; T574-F622 HydrophobicContact CG2-CG 3.74Å; T574-F622 HydrophobicContact CG2-CZ 4.03Å; V576-F622 HydrophobicContact CG2-CE2 4.19Å; V576-F622 HydrophobicContact CG2-CZ 4.38Å; Y589-F622 HydrophobicContact CD2-CZ 4.4Å; F591-F622 AromaticContact CE2-CD1 3.6Å; F591-F622 HydrophobicContact CE2-CD1 3.6Å; F591-F622 HydrophobicContact CE2-CE1 4.02Å; F591-F622 AromaticContact CZ-CD1 3.86Å; F591-F622 HydrophobicContact CZ-CD1 3.86Å; F591-F622 AromaticContact CZ-CE1 3.95Å; F591-F622 HydrophobicContact CZ-CE1 3.95Å; G620-F622 VanDerWaalsContact C-N 3.3Å; G620-F622 PolarHBondContact O-N 3.06Å; F622-Q624 PolarHBondContact O-N 2.69Å; F622-V625 PolarHBondContact O-N 2.9Å; F622-Y626 HydrophobicContact CD2-CE2 4.35Å; F622-Y626 HydrophobicContact CE2-CE2 4.06Å |
| 623 | E | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.4 | -28.9 | 179.8 | 72.5 | -173 | 138.6 | 0 | 0 | 113.4 | E572 I573 T574 I619 G620 V625 Y626 L627 | E572-E623 HydrophobicContact CG-CB 4.04Å; E572-E623 HydrophobicContact CG-CG 3.93Å; E572-E623 WeakPolarHBondContact CG-OE1 3.39Å; E572-E623 PolarHBondContact OE1-N 3.45Å; I573-E623 PolarHBondContact N-OE2 3.41Å; I573-E623 WeakPolarHBondContact O-CB 3.33Å; I573-E623 VanDerWaalsContact O-OE2 3.13Å; T574-E623 PolarHBondContact OG1-N 2.93Å; I619-E623 WeakPolarHBondContact CA-OE1 3.26Å; I619-E623 HydrophobicContact CB-CG 4.07Å; G620-E623 PolarHBondContact N-OE1 2.9Å; E623-V625 PolarHBondContact O-N 2.9Å; E623-Y626 PolarHBondContact O-N 2.96Å; E623-Y626 VanDerWaalsContact O-N 3.09Å; E623-L627 HydrophobicContact CG-CD1 4.06Å; E623-L627 WeakPolarHBondContact O-CG 3.24Å; E623-L627 PolarHBondContact O-N 3.02Å |
| 624 | Q | 95.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -53.8 | -37.4 | 179.2 | 174.2 | 166.9 | -68.3 | 0 | 0 | 113.7 | W463 F465 R599 G620 F622 Y626 L627 I629 | W463-Q624 PolarHBondContact O-NE2 3.12Å; W463-Q624 PolarHBondContact O-OE1 3.16Å; F465-Q624 HydrophobicContact CE2-CB 4.22Å; F465-Q624 VanDerWaalsContact CE2-OE1 3.22Å; R599-Q624 VanDerWaalsContact CZ-OE1 3.24Å; G620-Q624 PolarHBondContact O-N 2.81Å; F622-Q624 PolarHBondContact O-N 2.69Å; Q624-Y626 PolarHBondContact O-N 2.46Å; Q624-Y626 VanDerWaalsContact O-N 3.16Å; Q624-L627 PolarHBondContact O-N 3.07Å; Q624-L627 VanDerWaalsContact O-N 3.11Å; Q624-I629 HydrophobicContact CG-CD1 4.26Å |
| 625 | V | 94.1 | Very high | 93.1 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 38% | 0.382 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -61 | -28.2 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | M333 E461 F622 E623 | M333-V625 HydrophobicContact SD-CB 4.48Å; M333-V625 HydrophobicContact SD-CG2 3.99Å; E461-V625 HydrophobicContact CB-CG2 4.28Å; E461-V625 HydrophobicContact CG-CG2 3.62Å; F622-V625 PolarHBondContact O-N 2.9Å; E623-V625 PolarHBondContact O-N 2.9Å |
| 626 | Y | 93.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -104.7 | 4.6 | -177.8 | -59.5 | -77.3 | 0 | 0 | 0 | 113.2 | T574 V576 P577 Q584 F622 E623 Q624 | T574-Y626 HydrophobicContact CG2-CD2 4.22Å; T574-Y626 HydrophobicContact CG2-CE2 4.43Å; V576-Y626 HydrophobicContact CG1-CE1 4.21Å; V576-Y626 WeakPolarHBondContact CG1-OH 3.42Å; V576-Y626 HydrophobicContact CG2-CD2 4.4Å; V576-Y626 HydrophobicContact CG2-CE2 3.72Å; P577-Y626 HydrophobicContact CG-CD1 4.35Å; P577-Y626 HydrophobicContact CG-CE1 4.49Å; Q584-Y626 WeakPolarHBondContact CB-OH 3.31Å; Q584-Y626 PolarHBondContact OE1-OH 2.96Å; F622-Y626 HydrophobicContact CD2-CE2 4.35Å; F622-Y626 HydrophobicContact CE2-CE2 4.06Å; E623-Y626 PolarHBondContact O-N 2.96Å; E623-Y626 VanDerWaalsContact O-N 3.09Å; Q624-Y626 PolarHBondContact O-N 2.46Å; Q624-Y626 VanDerWaalsContact O-N 3.16Å |
| 627 | L | 92.6 | Very high | 93 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | trans | -102.6 | 137.7 | 178.8 | -73.5 | 178.5 | 0 | 0 | 0 | 111.5 | I619 E623 Q624 I629 | I619-L627 HydrophobicContact CB-CD1 4.41Å; I619-L627 HydrophobicContact CD1-CD1 4.39Å; I619-L627 HydrophobicContact CG2-CD1 3.89Å; E623-L627 HydrophobicContact CG-CD1 4.06Å; E623-L627 WeakPolarHBondContact O-CG 3.24Å; E623-L627 PolarHBondContact O-N 3.02Å; Q624-L627 PolarHBondContact O-N 3.07Å; Q624-L627 VanDerWaalsContact O-N 3.11Å; L627-I629 HydrophobicContact CB-CD1 4.19Å; L627-I629 HydrophobicContact CB-CG1 4.01Å; L627-I629 PolarHBondContact O-N 3.03Å | ||
| 628 | N | 92 | Very high | 92.8 | Very high | 70 Ų | 70 | 48.9 Ų | 48.9 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | trans | -91.3 | 95.3 | 174.7 | -80.4 | -27.9 | 0 | 0 | 0 | 109.7 | R639 D643 S645 H646 | N628-R639 VanDerWaalsContact CB-NH1 3.35Å; N628-D643 WeakPolarHBondContact CB-O 3.49Å; N628-S645 PolarHBondContact O-OG 3.27Å; N628-H646 PolarHBondContact O-N 3.14Å | ||
| 629 | I | 94.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.7 | -177.6 | -48 | 170.3 | 0 | 0 | 0 | 108.4 | R599 V601 I619 Q624 L627 H646 E648 | R599-I629 VanDerWaalsContact NH2-CD1 3.3Å; V601-I629 HydrophobicContact CG1-CD1 4.43Å; V601-I629 HydrophobicContact CG1-CG2 4.28Å; I619-I629 HydrophobicContact CD1-CD1 3.35Å; Q624-I629 HydrophobicContact CG-CD1 4.26Å; L627-I629 HydrophobicContact CB-CD1 4.19Å; L627-I629 HydrophobicContact CB-CG1 4.01Å; L627-I629 PolarHBondContact O-N 3.03Å; I629-H646 WeakPolarHBondContact CA-O 3.24Å; I629-H646 HydrophobicContact CB-CB 4.32Å; I629-H646 HydrophobicContact CG1-CB 3.96Å; I629-H646 HydrophobicContact CG2-CB 4.17Å; I629-E648 HydrophobicContact CG2-CG 4.15Å |
| 630 | S | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148 | 173.3 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | L636 R639 H646 I647 E648 | S630-L636 WeakPolarHBondContact OG-CA 3.48Å; S630-R639 PolarHBondContact OG-NE 2.77Å; S630-H646 PolarHBondContact N-O 3.31Å; S630-I647 CarbonylContact O-C 3.55Å; S630-I647 WeakPolarHBondContact O-CA 3.45Å; S630-I647 WeakPolarHBondContact O-CG1 3.33Å; S630-E648 PolarHBondContact O-N 3.28Å |
| 631 | V | 93.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -88.7 | -44.1 | 179.2 | -178 | 0 | 0 | 0 | 0 | 110.7 | W463 E635 E648 P651 | W463-V631 HydrophobicContact CZ2-CG2 3.81Å; V631-E635 WeakPolarHBondContact CA-OE2 3.3Å; V631-E635 VanDerWaalsContact CB-OE2 3.32Å; V631-E635 WeakPolarHBondContact CB-OE2 3.41Å; V631-E635 PolarHBondContact N-OE2 3.1Å; V631-E648 HydrophobicContact CG2-CG 4.43Å; V631-P651 HydrophobicContact CG1-CB 3.76Å |
| 632 | K | 91.2 | Very high | 90.5 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -117.6 | 161 | 177.4 | -67.1 | -176.1 | 174.8 | -173.2 | 0 | 111.9 | E634 E635 L636 | K632-E634 VanDerWaalsContact C-N 3.29Å; K632-E634 PolarHBondContact O-N 3.23Å; K632-E635 HydrophobicContact CB-CG 4.34Å; K632-E635 PolarHBondContact N-OE2 2.82Å; K632-E635 PolarHBondContact O-N 3.47Å; K632-L636 PolarHBondContact O-N 3.25Å |
| 633 | E | 88.8 | Confident | 89.9 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 58% | 0.579 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.6 | -34.2 | 178 | -158.4 | 71.6 | -155.5 | 0 | 0 | 111.8 | L636 S637 I647 | E633-L636 WeakPolarHBondContact O-CB 3.36Å; E633-L636 PolarHBondContact O-N 3.49Å; E633-S637 PolarHBondContact O-N 3.34Å; E633-I647 WeakPolarHBondContact OE2-CD1 3.49Å |
| 634 | E | 88.7 | Confident | 89.6 | Confident | 133 Ų | 133 | 71.2 Ų | 71.2 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.1 | -51.9 | 175.1 | -66.3 | 158.8 | -163.4 | 0 | 0 | 110.8 | K632 L636 S637 E638 | K632-E634 VanDerWaalsContact C-N 3.29Å; K632-E634 PolarHBondContact O-N 3.23Å; E634-L636 PolarHBondContact O-N 3.08Å; E634-S637 WeakPolarHBondContact O-CB 3.39Å; E634-S637 PolarHBondContact O-N 2.85Å; E634-S637 PolarHBondContact O-OG 3.14Å; E634-E638 PolarHBondContact O-N 3.27Å |
| 635 | E | 89.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -30.1 | 176.9 | -60.3 | 173.6 | 174.2 | 0 | 0 | 112.8 | V631 K632 | V631-E635 WeakPolarHBondContact CA-OE2 3.3Å; V631-E635 VanDerWaalsContact CB-OE2 3.32Å; V631-E635 WeakPolarHBondContact CB-OE2 3.41Å; V631-E635 PolarHBondContact N-OE2 3.1Å; K632-E635 HydrophobicContact CB-CG 4.34Å; K632-E635 PolarHBondContact N-OE2 2.82Å; K632-E635 PolarHBondContact O-N 3.47Å |
| 636 | L | 88.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 174.6 | -175.3 | 75.3 | 0 | 0 | 0 | 110.9 | L604 S630 K632 E633 E634 E638 R639 R644 I647 | L604-L636 HydrophobicContact CD1-CD1 3.67Å; L604-L636 HydrophobicContact CD1-CD2 3.47Å; L604-L636 VanDerWaalsContact CD1-CD2 3.47Å; L604-L636 HydrophobicContact CD1-CG 4.21Å; S630-L636 WeakPolarHBondContact OG-CA 3.48Å; K632-L636 PolarHBondContact O-N 3.25Å; E633-L636 WeakPolarHBondContact O-CB 3.36Å; E633-L636 PolarHBondContact O-N 3.49Å; E634-L636 PolarHBondContact O-N 3.08Å; L636-E638 VanDerWaalsContact C-N 3.27Å; L636-E638 PolarHBondContact O-N 2.9Å; L636-R639 PolarHBondContact O-N 2.86Å; L636-R644 HydrophobicContact CD1-CB 3.92Å; L636-R644 HydrophobicContact CD1-CG 3.75Å; L636-R644 HydrophobicContact CG-CG 4.12Å; L636-R644 PolarHBondContact O-NE 2.79Å; L636-I647 HydrophobicContact CD2-CD1 4.39Å |
| 637 | S | 88.1 | Confident | 89.2 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 53% | 0.531 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -27.9 | -179.1 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | E633 E634 R639 R644 | E633-S637 PolarHBondContact O-N 3.34Å; E634-S637 WeakPolarHBondContact O-CB 3.39Å; E634-S637 PolarHBondContact O-N 2.85Å; E634-S637 PolarHBondContact O-OG 3.14Å; S637-R639 VanDerWaalsContact C-N 3.31Å; S637-R639 PolarHBondContact O-N 2.57Å; S637-R644 PolarHBondContact O-NH2 2.82Å |
| 638 | E | 88.8 | Confident | 89.3 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -73.4 | -22.1 | 175.8 | -65.6 | 176.6 | 177.6 | 0 | 0 | 113.1 | E634 L636 | E634-E638 PolarHBondContact O-N 3.27Å; L636-E638 VanDerWaalsContact C-N 3.27Å; L636-E638 PolarHBondContact O-N 2.9Å |
| 639 | R | 85.8 | Confident | 89.4 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -81.3 | 152.4 | -178.7 | -67.9 | -175.5 | -174 | -146.9 | 5.6 | 112.6 | N628 S630 L636 S637 R644 | N628-R639 VanDerWaalsContact CB-NH1 3.35Å; S630-R639 PolarHBondContact OG-NE 2.77Å; L636-R639 PolarHBondContact O-N 2.86Å; S637-R639 VanDerWaalsContact C-N 3.31Å; S637-R639 PolarHBondContact O-N 2.57Å; R639-R644 HydrophobicContact CB-CG 4.28Å; R639-R644 PolarHBondContact O-NE 3.15Å; R639-R644 PolarHBondContact O-NH2 3.29Å |
| 640 | S | 87.9 | Confident | 89.4 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | trans | -59.5 | 146.3 | 171.9 | 91.9 | 0 | 0 | 0 | 0 | 110.6 | I642 D643 R644 | S640-I642 PolarHBondContact O-N 3.48Å; S640-I642 VanDerWaalsContact O-N 3.1Å; S640-D643 PolarHBondContact O-N 2.92Å; S640-D643 VanDerWaalsContact OG-CG 3.27Å; S640-D643 PolarHBondContact OG-N 2.99Å; S640-D643 PolarHBondContact OG-OD2 2.96Å; S640-R644 WeakPolarHBondContact O-CG 3.5Å; S640-R644 PolarHBondContact O-N 2.92Å | ||
| 641 | P | 82.8 | Confident | 89.3 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 70% | 0.695 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.9 | -179.6 | -26.6 | 34.6 | 0 | 0 | 0 | 114.2 | D643 | P641-D643 VanDerWaalsContact C-N 3.34Š|
| 642 | I | 79.6 | Confident | 89.3 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 75% | 0.749 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -31.5 | -179.5 | -61.1 | 166.2 | 0 | 0 | 0 | 110.9 | S640 | S640-I642 PolarHBondContact O-N 3.48Å; S640-I642 VanDerWaalsContact O-N 3.1Å |
| 643 | D | 82.5 | Confident | 89.5 | Confident | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.1 | -178.1 | -61.6 | -46.2 | 0 | 0 | 0 | 113.6 | N628 S640 P641 S645 | N628-D643 WeakPolarHBondContact CB-O 3.49Å; S640-D643 PolarHBondContact O-N 2.92Å; S640-D643 VanDerWaalsContact OG-CG 3.27Å; S640-D643 PolarHBondContact OG-N 2.99Å; S640-D643 PolarHBondContact OG-OD2 2.96Å; P641-D643 VanDerWaalsContact C-N 3.34Å; D643-S645 VanDerWaalsContact C-N 3.28Å; D643-S645 PolarHBondContact O-N 3.22Å |
| 644 | R | 87.9 | Confident | 89.9 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | trans | -75.6 | 77.8 | 177.4 | -67 | 179.8 | -166.4 | -171.3 | 0.7 | 110.6 | L636 S637 R639 S640 | L636-R644 HydrophobicContact CD1-CB 3.92Å; L636-R644 HydrophobicContact CD1-CG 3.75Å; L636-R644 HydrophobicContact CG-CG 4.12Å; L636-R644 PolarHBondContact O-NE 2.79Å; S637-R644 PolarHBondContact O-NH2 2.82Å; R639-R644 HydrophobicContact CB-CG 4.28Å; R639-R644 PolarHBondContact O-NE 3.15Å; R639-R644 PolarHBondContact O-NH2 3.29Å; S640-R644 WeakPolarHBondContact O-CG 3.5Å; S640-R644 PolarHBondContact O-N 2.92Å | ||
| 645 | S | 88.1 | Confident | 90.2 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | trans | -93 | -50.3 | -178.3 | 76 | 0 | 0 | 0 | 0 | 113.2 | L604 N628 D643 | L604-S645 PolarHBondContact N-O 3.44Å; N628-S645 PolarHBondContact O-OG 3.27Å; D643-S645 VanDerWaalsContact C-N 3.28Å; D643-S645 PolarHBondContact O-N 3.22Å | ||
| 646 | H | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 158.6 | -172 | -60.8 | 81.6 | 0 | 0 | 0 | 111.2 | K602 E617 N628 I629 S630 | K602-H646 VanDerWaalsContact O-CA 3.25Å; K602-H646 WeakPolarHBondContact O-CA 3.23Å; E617-H646 IonicContact OE2-NE2 2.81Å; E617-H646 PolarHBondContact OE2-NE2 3.4Å; E617-H646 VanDerWaalsContact OE2-NE2 3.16Å; N628-H646 PolarHBondContact O-N 3.14Å; I629-H646 WeakPolarHBondContact CA-O 3.24Å; I629-H646 HydrophobicContact CB-CB 4.32Å; I629-H646 HydrophobicContact CG1-CB 3.96Å; I629-H646 HydrophobicContact CG2-CB 4.17Å; S630-H646 PolarHBondContact N-O 3.31Å |
| 647 | I | 94.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.6 | 170.5 | -170.1 | 173.8 | 0 | 0 | 0 | 110.3 | K602 L604 S630 E633 L636 | K602-I647 HydrophobicContact CB-CG2 3.73Å; K602-I647 HydrophobicContact CD-CG2 4.02Å; K602-I647 HydrophobicContact CG-CG2 4.46Å; K602-I647 PolarHBondContact N-O 2.92Å; K602-I647 PolarHBondContact O-N 3.44Å; L604-I647 HydrophobicContact CD1-CB 4.31Å; L604-I647 HydrophobicContact CD1-CG2 4.18Å; L604-I647 HydrophobicContact CD2-CG2 3.97Å; L604-I647 HydrophobicContact CG-CG2 4.2Å; S630-I647 CarbonylContact O-C 3.55Å; S630-I647 WeakPolarHBondContact O-CA 3.45Å; S630-I647 WeakPolarHBondContact O-CG1 3.33Å; E633-I647 WeakPolarHBondContact OE2-CD1 3.49Å; L636-I647 HydrophobicContact CD2-CD1 4.39Å |
| 648 | E | 95.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | trans | -58.9 | 144.2 | 173.6 | -67.1 | -63.7 | 172.1 | 0 | 0 | 111.3 | W463 R599 I629 S630 V631 A650 | W463-E648 PolarHBondContact NE1-OE1 3.43Å; R599-E648 IonicContact CZ-OE1 2.64Å; R599-E648 VanDerWaalsContact CZ-OE1 3.25Å; R599-E648 IonicContact CZ-OE2 2.58Å; R599-E648 IonicContact NH1-OE1 3.12Å; R599-E648 PolarHBondContact NH1-OE1 3.07Å; R599-E648 IonicContact NH1-OE2 3.53Å; R599-E648 PolarHBondContact NH1-OE2 3.5Å; R599-E648 IonicContact NH2-OE1 3.86Å; R599-E648 PolarHBondContact NH2-OE1 3.23Å; R599-E648 IonicContact NH2-OE2 2.9Å; I629-E648 HydrophobicContact CG2-CG 4.15Å; S630-E648 PolarHBondContact O-N 3.28Å; V631-E648 HydrophobicContact CG2-CG 4.43Å; E648-A650 VanDerWaalsContact C-N 3.32Å | ||
| 649 | I | 93.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -65.3 | -43.3 | 175.2 | -68.3 | 170.7 | 0 | 0 | 0 | 110.3 | P600 K602 I616 | P600-I649 HydrophobicContact CB-CD1 3.66Å; P600-I649 HydrophobicContact CG-CD1 3.9Å; K602-I649 HydrophobicContact CG-CG1 4.02Å; I616-I649 HydrophobicContact CD1-CD1 4.24Å; I616-I649 HydrophobicContact CG1-CD1 4.3Å; I616-I649 HydrophobicContact CG2-CD1 4.14Å |
| 650 | A | 93.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | trans | -157.7 | 138.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108 | E648 E652 N653 | E648-A650 VanDerWaalsContact C-N 3.32Å; A650-E652 VanDerWaalsContact C-N 3.28Å; A650-E652 HydrophobicContact CB-CG 4.46Å; A650-E652 WeakPolarHBondContact CB-OE2 3.5Å; A650-E652 PolarHBondContact O-N 3.34Å; A650-N653 VanDerWaalsContact O-CB 3.23Å; A650-N653 WeakPolarHBondContact O-CB 3.47Å; A650-N653 PolarHBondContact O-N 3.21Å; A650-N653 PolarHBondContact O-ND2 2.81Å | ||
| 651 | P | 93.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 31 Ų | 31 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -64.9 | -29.8 | -175.8 | 27 | -36.2 | 0 | 0 | 0 | 113.1 | V631 N653 F945 | V631-P651 HydrophobicContact CG1-CB 3.76Å; P651-N653 PolarHBondContact O-N 3.35Å; P651-F945 HydrophobicContact CB-CB 4.19Å; P651-F945 HydrophobicContact CB-CD2 3.72Å; P651-F945 HydrophobicContact CB-CE2 4.47Å; P651-F945 HydrophobicContact CB-CG 4.25Å; P651-F945 HydrophobicContact CG-CB 3.89Å; P651-F945 HydrophobicContact CG-CD2 4.08Å; P651-F945 HydrophobicContact CG-CG 4.41Å |
| 652 | E | 94.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -69.2 | -10.9 | 178.6 | 67.5 | -91 | -148.8 | 0 | 0 | 114 | A650 I654 F655 T943 P944 | A650-E652 VanDerWaalsContact C-N 3.28Å; A650-E652 HydrophobicContact CB-CG 4.46Å; A650-E652 WeakPolarHBondContact CB-OE2 3.5Å; A650-E652 PolarHBondContact O-N 3.34Å; E652-I654 PolarHBondContact O-N 2.97Å; E652-F655 HydrophobicContact CB-CD2 4.36Å; E652-F655 WeakPolarHBondContact O-CD2 3.5Å; E652-F655 PolarHBondContact O-N 2.92Å; E652-T943 HydrophobicContact CB-CG2 4.1Å; E652-T943 HydrophobicContact CG-CG2 3.82Å; E652-T943 WeakPolarHBondContact OE1-CG2 3.49Å; E652-P944 HydrophobicContact CB-CG 3.94Å |
| 653 | N | 94.7 | Very high | 94 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.107 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -63.1 | -12.9 | 178.7 | -79.1 | -13.2 | 0 | 0 | 0 | 113.8 | A484 P486 A650 P651 F655 | A484-N653 WeakPolarHBondContact CB-O 3.46Å; P486-N653 WeakPolarHBondContact CD-O 3.12Å; P486-N653 HydrophobicContact CG-CB 3.87Å; A650-N653 VanDerWaalsContact O-CB 3.23Å; A650-N653 WeakPolarHBondContact O-CB 3.47Å; A650-N653 PolarHBondContact O-N 3.21Å; A650-N653 PolarHBondContact O-ND2 2.81Å; P651-N653 PolarHBondContact O-N 3.35Å; N653-F655 PolarHBondContact O-N 2.98Å |
| 654 | I | 96.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 7% | 0.067 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -67.4 | -21.8 | 172.3 | 68.4 | 174.7 | 0 | 0 | 0 | 112.6 | W463 E652 F945 | W463-I654 HydrophobicContact CD2-CG2 4.17Å; W463-I654 HydrophobicContact CH2-CD1 4.23Å; W463-I654 HydrophobicContact CH2-CG2 4.1Å; W463-I654 HydrophobicContact CZ2-CG2 3.62Å; W463-I654 HydrophobicContact CZ3-CD1 4.47Å; E652-I654 PolarHBondContact O-N 2.97Å; I654-F945 HydrophobicContact CD1-CE2 4.13Å; I654-F945 HydrophobicContact CD1-CZ 4.16Å |
| 655 | F | 96.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 6% | 0.057 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -84.9 | 147.9 | -176.7 | -63.8 | -59.6 | 0 | 0 | 0 | 112 | V469 E485 E652 N653 A659 P665 P944 F945 | V469-F655 HydrophobicContact CG2-CD1 4.24Å; V469-F655 HydrophobicContact CG2-CE1 3.84Å; E485-F655 PolarHBondContact N-O 3.48Å; E652-F655 HydrophobicContact CB-CD2 4.36Å; E652-F655 WeakPolarHBondContact O-CD2 3.5Å; E652-F655 PolarHBondContact O-N 2.92Å; N653-F655 PolarHBondContact O-N 2.98Å; F655-A659 HydrophobicContact CB-CB 4.08Å; F655-A659 HydrophobicContact CD1-CB 4.16Å; F655-A659 HydrophobicContact CG-CB 4.45Å; F655-P665 HydrophobicContact CE2-CG 4.3Å; F655-P665 HydrophobicContact CZ-CG 4.33Å; F655-P944 HydrophobicContact CD2-CG 4.05Å; F655-P944 HydrophobicContact CE2-CB 4.21Å; F655-P944 HydrophobicContact CE2-CG 3.6Å; F655-F945 AromaticContact CE2-CE2 3.59Å; F655-F945 HydrophobicContact CE2-CE2 3.59Å; F655-F945 AromaticContact CE2-CZ 3.95Å; F655-F945 HydrophobicContact CE2-CZ 3.95Å; F655-F945 HydrophobicContact CZ-CE2 4.09Å; F655-F945 AromaticContact CZ-CZ 3.97Å; F655-F945 HydrophobicContact CZ-CZ 3.97Å |
| 656 | S | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | trans | -69.6 | 165.5 | 167 | 69 | 0 | 0 | 0 | 0 | 110.7 | C467 H470 L483 V658 A659 G660 | C467-S656 PolarHBondContact SG-N 2.96Å; H470-S656 VanDerWaalsContact CB-OG 3.31Å; H470-S656 WeakPolarHBondContact CB-OG 3.12Å; H470-S656 PolarHBondContact ND1-OG 3.05Å; L483-S656 WeakPolarHBondContact O-CB 3.23Å; S656-V658 VanDerWaalsContact C-N 3.3Å; S656-V658 PolarHBondContact O-N 2.86Å; S656-A659 PolarHBondContact O-N 3.44Å; S656-A659 WeakPolarHBondContact OG-CB 3.41Å; S656-A659 PolarHBondContact OG-N 2.72Å; S656-G660 PolarHBondContact O-N 2.93Å | ||
| 657 | F | 95.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -49.4 | 174 | 168.2 | -116.9 | 0 | 0 | 0 | 113.4 | L4 F431 L432 A435 L661 M714 Y718 V720 | L4-F657 HydrophobicContact CD1-CD1 3.95Å; L4-F657 HydrophobicContact CD1-CD2 4.33Å; L4-F657 HydrophobicContact CD1-CE1 3.96Å; L4-F657 HydrophobicContact CD1-CE2 4.36Å; L4-F657 HydrophobicContact CD1-CG 4.14Å; L4-F657 HydrophobicContact CD1-CZ 4.18Å; L4-F657 HydrophobicContact CD2-CB 3.78Å; L4-F657 HydrophobicContact CD2-CD1 4.24Å; L4-F657 HydrophobicContact CD2-CD2 4.24Å; L4-F657 HydrophobicContact CD2-CG 3.82Å; F431-F657 HydrophobicContact CE1-CE1 4.39Å; F431-F657 HydrophobicContact CE1-CZ 4.18Å; L432-F657 HydrophobicContact CD2-CE1 3.47Å; L432-F657 VanDerWaalsContact CD2-CE1 3.47Å; L432-F657 HydrophobicContact CD2-CZ 3.65Å; A435-F657 HydrophobicContact CB-CD1 4.27Å; A435-F657 HydrophobicContact CB-CE1 3.9Å; F657-L661 HydrophobicContact CE2-CD1 4.39Å; F657-L661 HydrophobicContact CE2-CD2 4.39Å; F657-L661 HydrophobicContact CZ-CD1 4.21Å; F657-L661 WeakPolarHBondContact O-CG 3.41Å; F657-M714 HydrophobicContact CD2-CG 4.4Å; F657-Y718 HydrophobicContact CD2-CD1 4.28Å; F657-Y718 AromaticContact CD2-CD2 3.82Å; F657-Y718 HydrophobicContact CD2-CD2 3.82Å; F657-Y718 HydrophobicContact CD2-CE2 4.19Å; F657-Y718 AromaticContact CD2-CG 3.87Å; F657-Y718 HydrophobicContact CD2-CG 3.87Å; F657-Y718 HydrophobicContact CE2-CD1 4.12Å; F657-Y718 AromaticContact CE2-CD2 3.95Å; F657-Y718 HydrophobicContact CE2-CD2 3.95Å; F657-Y718 AromaticContact CE2-CG 3.61Å; F657-Y718 HydrophobicContact CE2-CG 3.61Å; F657-V720 HydrophobicContact CE2-CG2 3.99Å; F657-V720 HydrophobicContact CZ-CG2 4Å |
| 658 | V | 96.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -40.9 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | A436 S656 G660 L661 C677 A680 | A436-V658 HydrophobicContact CB-CG2 4.13Å; S656-V658 VanDerWaalsContact C-N 3.3Å; S656-V658 PolarHBondContact O-N 2.86Å; V658-G660 VanDerWaalsContact C-N 3.3Å; V658-G660 PolarHBondContact O-N 3.48Å; V658-L661 WeakPolarHBondContact O-CB 3.38Å; V658-L661 PolarHBondContact O-N 3Å; V658-C677 HydrophobicContact CG1-CB 4.38Å; V658-A680 HydrophobicContact CG1-CB 4.26Å |
| 659 | A | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -66.1 | -34.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C467 V469 H470 F655 S656 L661 I662 | C467-A659 VanDerWaalsContact SG-CB 3.59Å; V469-A659 HydrophobicContact CB-CB 4.35Å; V469-A659 HydrophobicContact CG1-CB 4.34Å; H470-A659 HydrophobicContact CB-CB 4.49Å; F655-A659 HydrophobicContact CB-CB 4.08Å; F655-A659 HydrophobicContact CD1-CB 4.16Å; F655-A659 HydrophobicContact CG-CB 4.45Å; S656-A659 PolarHBondContact O-N 3.44Å; S656-A659 WeakPolarHBondContact OG-CB 3.41Å; S656-A659 PolarHBondContact OG-N 2.72Å; A659-L661 PolarHBondContact O-N 3.46Å; A659-I662 WeakPolarHBondContact O-CB 3.5Å; A659-I662 VanDerWaalsContact O-CG1 3.31Å; A659-I662 WeakPolarHBondContact O-CG1 3.41Å; A659-I662 PolarHBondContact O-N 3.24Å |
| 660 | G | 95.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -69.3 | -6.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S656 V658 T712 M714 | S656-G660 PolarHBondContact O-N 2.93Å; V658-G660 VanDerWaalsContact C-N 3.3Å; V658-G660 PolarHBondContact O-N 3.48Å; G660-T712 WeakPolarHBondContact O-CB 3.47Å; G660-T712 WeakPolarHBondContact O-CG2 3.15Å; G660-T712 PolarHBondContact O-OG1 3.2Å; G660-M714 WeakPolarHBondContact O-CB 3.38Å |
| 661 | L | 96.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -90.2 | -8.9 | 174.1 | -55.1 | 176.1 | 0 | 0 | 0 | 113.1 | L432 F657 V658 A659 M714 Y715 V720 | L432-L661 HydrophobicContact CD1-CD1 3.82Å; L432-L661 HydrophobicContact CD2-CD1 3.47Å; L432-L661 VanDerWaalsContact CD2-CD1 3.47Å; L432-L661 HydrophobicContact CG-CD1 4.32Å; F657-L661 HydrophobicContact CE2-CD1 4.39Å; F657-L661 HydrophobicContact CE2-CD2 4.39Å; F657-L661 HydrophobicContact CZ-CD1 4.21Å; F657-L661 WeakPolarHBondContact O-CG 3.41Å; V658-L661 WeakPolarHBondContact O-CB 3.38Å; V658-L661 PolarHBondContact O-N 3Å; A659-L661 PolarHBondContact O-N 3.46Å; L661-M714 HydrophobicContact CD2-CB 4.33Å; L661-M714 HydrophobicContact CD2-CG 4.23Å; L661-Y715 HydrophobicContact CD2-CD2 4.06Å; L661-Y715 HydrophobicContact CD2-CG 4.43Å; L661-V720 HydrophobicContact CD2-CG2 4.11Å |
| 662 | I | 97.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -72.1 | 124.6 | 176.5 | -57 | 178.4 | 0 | 0 | 0 | 107.1 | A659 P665 N673 Q676 | A659-I662 WeakPolarHBondContact O-CB 3.5Å; A659-I662 VanDerWaalsContact O-CG1 3.31Å; A659-I662 WeakPolarHBondContact O-CG1 3.41Å; A659-I662 PolarHBondContact O-N 3.24Å; I662-P665 HydrophobicContact CB-CB 4.18Å; I662-P665 HydrophobicContact CG2-CB 3.89Å; I662-P665 WeakPolarHBondContact O-CD 3.39Å; I662-N673 HydrophobicContact CD1-CB 4.04Å; I662-N673 WeakPolarHBondContact CD1-O 3.21Å; I662-Q676 HydrophobicContact CD1-CB 3.87Å; I662-Q676 HydrophobicContact CD1-CG 3.83Å; I662-Q676 HydrophobicContact CG1-CB 4.35Å; I662-Q676 HydrophobicContact CG1-CG 3.76Å |
| 663 | P | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -73.7 | 138.5 | 172.4 | 31.2 | -32.2 | 0 | 0 | 0 | 109.8 | V710 R880 H881 A942 | P663-V710 HydrophobicContact CB-CG1 4.1Å; P663-R880 HydrophobicContact CG-CB 4.16Å; P663-H881 PolarHBondContact O-CE1 3.3Å; P663-A942 HydrophobicContact CB-CB 3.62Å |
| 664 | Y | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 47.2 | 50 | 176.7 | -47.2 | -70.9 | 0 | 0 | 0 | 114.5 | D666 F667 N668 V710 I925 A942 W947 P953 Y957 | Y664-D666 WeakPolarHBondContact CA-OD1 3.35Å; Y664-D666 PolarHBondContact O-N 3.27Å; Y664-F667 PolarHBondContact O-N 2.89Å; Y664-N668 PolarHBondContact O-ND2 3.31Å; Y664-V710 HydrophobicContact CE2-CG1 4Å; Y664-I925 HydrophobicContact CD1-CG2 4.32Å; Y664-I925 HydrophobicContact CD2-CB 4.23Å; Y664-I925 HydrophobicContact CD2-CG2 4.02Å; Y664-I925 HydrophobicContact CE1-CG2 4.01Å; Y664-I925 HydrophobicContact CE2-CB 4.31Å; Y664-I925 HydrophobicContact CE2-CG2 3.7Å; Y664-I925 HydrophobicContact CG-CG2 4.33Å; Y664-A942 HydrophobicContact CD1-CB 4.23Å; Y664-A942 HydrophobicContact CD2-CB 3.99Å; Y664-A942 HydrophobicContact CE1-CB 3.83Å; Y664-A942 HydrophobicContact CE2-CB 3.55Å; Y664-A942 HydrophobicContact CG-CB 4.3Å; Y664-A942 VanDerWaalsContact CZ-CB 3.45Å; Y664-A942 PolarHBondContact N-O 3.29Å; Y664-W947 HydrophobicContact CD1-CE3 4.34Å; Y664-W947 AromaticContact CD1-CH2 3.91Å; Y664-W947 HydrophobicContact CD1-CH2 3.91Å; Y664-W947 AromaticContact CD1-CZ3 3.62Å; Y664-W947 HydrophobicContact CD1-CZ3 3.62Å; Y664-W947 HydrophobicContact CE1-CE3 4.38Å; Y664-W947 AromaticContact CE1-CH2 3.35Å; Y664-W947 HydrophobicContact CE1-CH2 3.35Å; Y664-W947 AromaticContact CE1-CZ2 3.96Å; Y664-W947 HydrophobicContact CE1-CZ2 3.96Å; Y664-W947 AromaticContact CE1-CZ3 3.57Å; Y664-W947 HydrophobicContact CE1-CZ3 3.57Å; Y664-P953 HydrophobicContact CE1-CB 4.3Å; Y664-Y957 WeakPolarHBondContact OH-CE2 3.35Å; Y664-Y957 PolarHBondContact OH-OH 3.07Å |
| 665 | P | 95.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65.9 | -25.6 | -177.8 | 28.4 | -33.5 | 0 | 0 | 0 | 112.4 | F655 I662 F667 N668 N673 P944 | F655-P665 HydrophobicContact CE2-CG 4.3Å; F655-P665 HydrophobicContact CZ-CG 4.33Å; I662-P665 HydrophobicContact CB-CB 4.18Å; I662-P665 HydrophobicContact CG2-CB 3.89Å; I662-P665 WeakPolarHBondContact O-CD 3.39Å; P665-F667 VanDerWaalsContact C-N 3.28Å; P665-F667 PolarHBondContact O-N 3.1Å; P665-N668 PolarHBondContact O-N 3.35Å; P665-N673 PolarHBondContact O-ND2 2.93Å; P665-P944 HydrophobicContact CG-CB 3.7Å; P665-P944 HydrophobicContact CG-CG 3.76Å |
| 666 | D | 94.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -64.9 | -24.1 | 174.1 | 47.2 | -19.1 | 0 | 0 | 0 | 113.9 | Y664 P944 F945 | Y664-D666 WeakPolarHBondContact CA-OD1 3.35Å; Y664-D666 PolarHBondContact O-N 3.27Å; D666-P944 HydrophobicContact CB-CB 4.41Å; D666-F945 HydrophobicContact CB-CD1 4.2Å; D666-F945 HydrophobicContact CB-CE1 4.03Å; D666-F945 PolarHBondContact OD2-N 2.82Å |
| 667 | F | 94.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 26.3 Ų | 26.3 | 31% | 0.307 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -92.7 | -0 | 175.2 | -68.2 | -95.1 | 0 | 0 | 0 | 113.6 | Y664 P665 M921 I925 W947 P953 | Y664-F667 PolarHBondContact O-N 2.89Å; P665-F667 VanDerWaalsContact C-N 3.28Å; P665-F667 PolarHBondContact O-N 3.1Å; F667-M921 HydrophobicContact CB-CB 4.49Å; F667-M921 WeakPolarHBondContact O-CB 3.34Å; F667-I925 HydrophobicContact CB-CD1 4.12Å; F667-I925 HydrophobicContact CD1-CD1 3.6Å; F667-I925 HydrophobicContact CD2-CD1 4.12Å; F667-I925 HydrophobicContact CE1-CD1 3.98Å; F667-I925 HydrophobicContact CE2-CD1 4.47Å; F667-I925 HydrophobicContact CG-CD1 3.67Å; F667-I925 HydrophobicContact CZ-CD1 4.41Å; F667-W947 HydrophobicContact CE2-CE3 4.29Å; F667-P953 HydrophobicContact CE1-CG 4.45Å; F667-P953 HydrophobicContact CE2-CG 4.22Å; F667-P953 HydrophobicContact CZ-CG 3.88Å |
| 668 | N | 94.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 148.8 | 178.6 | -55.7 | -48.5 | 0 | 0 | 0 | 110.9 | Y664 P665 S670 N673 H881 G922 | Y664-N668 PolarHBondContact O-ND2 3.31Å; P665-N668 PolarHBondContact O-N 3.35Å; N668-S670 PolarHBondContact O-N 3.48Å; N668-N673 WeakPolarHBondContact CB-OD1 3.3Å; N668-N673 PolarHBondContact ND2-OD1 3.47Å; N668-H881 PolarHBondContact ND2-ND1 3.43Å; N668-H881 PolarHBondContact OD1-ND1 2.84Å; N668-G922 WeakPolarHBondContact OD1-CA 3.32Å; N668-G922 PolarHBondContact OD1-N 2.89Å |
| 669 | Q | 95.4 | Very high | 95.6 | Very high | 83 Ų | 83 | 28.4 Ų | 28.4 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | trans | -59.6 | 135.1 | 168.2 | -155.4 | -166.8 | 26.6 | 0 | 0 | 111 | P671 R672 M919 | Q669-P671 VanDerWaalsContact C-CD 3.41Å; Q669-P671 VanDerWaalsContact O-N 3.14Å; Q669-R672 HydrophobicContact CB-CG 4.2Å; Q669-R672 VanDerWaalsContact O-CB 3.26Å; Q669-R672 WeakPolarHBondContact O-CB 3.49Å; Q669-R672 PolarHBondContact O-N 2.84Å; Q669-M919 PolarHBondContact N-O 2.96Å | ||
| 670 | S | 94.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 28.6 Ų | 28.6 | 52% | 0.517 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -47.3 | -44.2 | -175.5 | 177 | 0 | 0 | 0 | 0 | 115.9 | N668 R672 N673 M674 | N668-S670 PolarHBondContact O-N 3.48Å; S670-R672 PolarHBondContact O-N 3.28Å; S670-R672 VanDerWaalsContact O-N 3.16Å; S670-N673 PolarHBondContact O-N 3.18Å; S670-N673 VanDerWaalsContact O-N 3.16Å; S670-M674 PolarHBondContact O-N 3.09Å; S670-M674 VanDerWaalsContact O-N 3.15Å |
| 671 | P | 94.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 28.8 Ų | 28.8 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.5 | -29.9 | 178 | -23.8 | 35.1 | 0 | 0 | 0 | 113.6 | Q669 M674 Y675 | Q669-P671 VanDerWaalsContact C-CD 3.41Å; Q669-P671 VanDerWaalsContact O-N 3.14Å; P671-M674 WeakPolarHBondContact O-CB 3.25Å; P671-M674 PolarHBondContact O-N 2.95Å; P671-Y675 HydrophobicContact CB-CE2 4.21Å; P671-Y675 WeakPolarHBondContact O-CD2 3.2Å; P671-Y675 VanDerWaalsContact O-CG 3.24Å; P671-Y675 PolarHBondContact O-N 3.47Å |
| 672 | R | 95 | Very high | 95.4 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 16% | 0.162 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -40.5 | 179.5 | -56.5 | -64.2 | 169.8 | -141.8 | -5.2 | 111.4 | Q669 S670 M674 Y675 Q676 H881 R918 T920 | Q669-R672 HydrophobicContact CB-CG 4.2Å; Q669-R672 VanDerWaalsContact O-CB 3.26Å; Q669-R672 WeakPolarHBondContact O-CB 3.49Å; Q669-R672 PolarHBondContact O-N 2.84Å; S670-R672 PolarHBondContact O-N 3.28Å; S670-R672 VanDerWaalsContact O-N 3.16Å; R672-M674 VanDerWaalsContact C-N 3.3Å; R672-M674 PolarHBondContact O-N 2.7Å; R672-Y675 PolarHBondContact O-N 3.35Å; R672-Q676 WeakPolarHBondContact O-CB 3.34Å; R672-Q676 PolarHBondContact O-N 3.41Å; R672-H881 WeakPolarHBondContact CB-O 3.12Å; R672-R918 PolarHBondContact NE-O 2.86Å; R672-T920 HydrophobicContact CB-CG2 4.05Å; R672-T920 HydrophobicContact CG-CG2 3.72Å |
| 673 | N | 96.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 173.8 | -61.2 | -32.1 | 0 | 0 | 0 | 111.1 | V469 I662 P665 N668 S670 Q676 C677 | V469-N673 HydrophobicContact CG1-CB 3.44Å; V469-N673 VanDerWaalsContact CG1-CB 3.44Å; V469-N673 WeakPolarHBondContact CG1-O 3.42Å; V469-N673 HydrophobicContact CG2-CB 4.27Å; I662-N673 HydrophobicContact CD1-CB 4.04Å; I662-N673 WeakPolarHBondContact CD1-O 3.21Å; P665-N673 PolarHBondContact O-ND2 2.93Å; N668-N673 WeakPolarHBondContact CB-OD1 3.3Å; N668-N673 PolarHBondContact ND2-OD1 3.47Å; S670-N673 PolarHBondContact O-N 3.18Å; S670-N673 VanDerWaalsContact O-N 3.16Å; N673-Q676 PolarHBondContact O-N 2.99Å; N673-C677 PolarHBondContact O-N 3.3Å; N673-C677 VanDerWaalsContact O-N 3.14Å; N673-C677 PolarHBondContact O-SG 3.28Å; N673-C677 VanDerWaalsContact O-SG 3.32Å |
| 674 | M | 96.1 | Very high | 95 | Very high | 34 Ų | 34 | 30 Ų | 30 | 17% | 0.167 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | 175.2 | -177.7 | -177.5 | 67 | 0 | 0 | 111.2 | V469 T471 S670 P671 R672 Q676 C677 Q678 | V469-M674 WeakPolarHBondContact O-CA 3.36Å; V469-M674 WeakPolarHBondContact O-CB 3.48Å; V469-M674 WeakPolarHBondContact O-CG 3.41Å; T471-M674 HydrophobicContact CG2-CG 4.2Å; T471-M674 HydrophobicContact CG2-SD 3.68Å; T471-M674 WeakPolarHBondContact O-CG 3.23Å; S670-M674 PolarHBondContact O-N 3.09Å; S670-M674 VanDerWaalsContact O-N 3.15Å; P671-M674 WeakPolarHBondContact O-CB 3.25Å; P671-M674 PolarHBondContact O-N 2.95Å; R672-M674 VanDerWaalsContact C-N 3.3Å; R672-M674 PolarHBondContact O-N 2.7Å; M674-Q676 VanDerWaalsContact C-N 3.3Å; M674-Q676 PolarHBondContact O-N 3.21Å; M674-C677 WeakPolarHBondContact O-CB 3.24Å; M674-C677 PolarHBondContact O-N 2.93Å; M674-Q678 PolarHBondContact O-N 3.02Å |
| 675 | Y | 95.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 30 Ų | 30 | 30% | 0.302 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.8 | -66 | -37.7 | 0 | 0 | 0 | 112.1 | D473 P671 R672 C677 Q678 M679 | D473-Y675 HydrophobicContact CB-CE1 4.15Å; P671-Y675 HydrophobicContact CB-CE2 4.21Å; P671-Y675 WeakPolarHBondContact O-CD2 3.2Å; P671-Y675 VanDerWaalsContact O-CG 3.24Å; P671-Y675 PolarHBondContact O-N 3.47Å; R672-Y675 PolarHBondContact O-N 3.35Å; Y675-C677 VanDerWaalsContact C-N 3.31Å; Y675-C677 PolarHBondContact O-N 2.81Å; Y675-Q678 CarbonylContact O-C 3.53Å; Y675-Q678 WeakPolarHBondContact O-CA 3.32Å; Y675-Q678 WeakPolarHBondContact O-CB 3.42Å; Y675-Q678 PolarHBondContact O-N 2.95Å; Y675-M679 WeakPolarHBondContact O-CG 3.49Å; Y675-M679 PolarHBondContact O-N 3.31Å |
| 676 | Q | 96.7 | Very high | 94 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 176.6 | 177.7 | 57.5 | 21.8 | 0 | 0 | 111.9 | I662 R672 N673 M674 Q678 M679 A680 S879 R880 G882 | I662-Q676 HydrophobicContact CD1-CB 3.87Å; I662-Q676 HydrophobicContact CD1-CG 3.83Å; I662-Q676 HydrophobicContact CG1-CB 4.35Å; I662-Q676 HydrophobicContact CG1-CG 3.76Å; R672-Q676 WeakPolarHBondContact O-CB 3.34Å; R672-Q676 PolarHBondContact O-N 3.41Å; N673-Q676 PolarHBondContact O-N 2.99Å; M674-Q676 VanDerWaalsContact C-N 3.3Å; M674-Q676 PolarHBondContact O-N 3.21Å; Q676-Q678 PolarHBondContact O-N 3.4Å; Q676-M679 PolarHBondContact O-N 2.87Å; Q676-A680 VanDerWaalsContact O-CB 3.27Å; Q676-A680 WeakPolarHBondContact O-CB 3.27Å; Q676-A680 PolarHBondContact O-N 2.8Å; Q676-S879 PolarHBondContact OE1-O 3.06Å; Q676-R880 VanDerWaalsContact CD-CA 3.45Å; Q676-R880 VanDerWaalsContact CD-O 3.31Å; Q676-R880 WeakPolarHBondContact CG-O 3.45Å; Q676-G882 VanDerWaalsContact OE1-N 3.15Å |
| 677 | C | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -36.3 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | V658 N673 M674 Y675 K681 | V658-C677 HydrophobicContact CG1-CB 4.38Å; N673-C677 PolarHBondContact O-N 3.3Å; N673-C677 VanDerWaalsContact O-N 3.14Å; N673-C677 PolarHBondContact O-SG 3.28Å; N673-C677 VanDerWaalsContact O-SG 3.32Å; M674-C677 WeakPolarHBondContact O-CB 3.24Å; M674-C677 PolarHBondContact O-N 2.93Å; Y675-C677 VanDerWaalsContact C-N 3.31Å; Y675-C677 PolarHBondContact O-N 2.81Å; C677-K681 WeakPolarHBondContact O-CE 3.43Å; C677-K681 VanDerWaalsContact O-CG 3.3Å; C677-K681 WeakPolarHBondContact O-CG 3.45Å; C677-K681 PolarHBondContact O-N 2.77Å |
| 678 | Q | 95.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.3 | -42.1 | 176.8 | -173.2 | 173.1 | -1 | 0 | 0 | 112.9 | D473 M674 Y675 Q676 K681 Q682 | D473-Q678 VanDerWaalsContact OD1-CD 3.23Å; D473-Q678 PolarHBondContact OD1-NE2 3.29Å; D473-Q678 PolarHBondContact OD1-OE1 3.07Å; M674-Q678 PolarHBondContact O-N 3.02Å; Y675-Q678 CarbonylContact O-C 3.53Å; Y675-Q678 WeakPolarHBondContact O-CA 3.32Å; Y675-Q678 WeakPolarHBondContact O-CB 3.42Å; Y675-Q678 PolarHBondContact O-N 2.95Å; Q676-Q678 PolarHBondContact O-N 3.4Å; Q678-K681 PolarHBondContact O-N 3.37Å; Q678-Q682 WeakPolarHBondContact O-CG 3.47Å; Q678-Q682 PolarHBondContact O-N 3.42Å |
| 679 | M | 95.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 178.5 | -66.4 | -49.8 | 107.2 | 0 | 0 | 110.7 | Y675 Q676 K681 Q682 T683 K884 L997 | Y675-M679 WeakPolarHBondContact O-CG 3.49Å; Y675-M679 PolarHBondContact O-N 3.31Å; Q676-M679 PolarHBondContact O-N 2.87Å; M679-K681 PolarHBondContact O-N 2.79Å; M679-K681 VanDerWaalsContact O-N 3.16Å; M679-Q682 CarbonylContact O-C 3.35Å; M679-Q682 WeakPolarHBondContact O-CA 3.19Å; M679-Q682 PolarHBondContact O-N 2.88Å; M679-T683 PolarHBondContact O-N 2.88Å; M679-T683 PolarHBondContact O-OG1 3Å; M679-K884 HydrophobicContact SD-CD 4.44Å; M679-L997 HydrophobicContact CB-CD2 4.22Å; M679-L997 HydrophobicContact SD-CD1 3.68Å; M679-L997 HydrophobicContact SD-CD2 4.44Å |
| 680 | A | 94.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N430 L432 V658 Q676 Q682 | N430-A680 PolarHBondContact ND2-O 2.95Å; L432-A680 HydrophobicContact CD1-CB 4.16Å; V658-A680 HydrophobicContact CG1-CB 4.26Å; Q676-A680 VanDerWaalsContact O-CB 3.27Å; Q676-A680 WeakPolarHBondContact O-CB 3.27Å; Q676-A680 PolarHBondContact O-N 2.8Å; A680-Q682 VanDerWaalsContact C-N 3.3Å; A680-Q682 PolarHBondContact O-N 3.04Å |
| 681 | K | 94.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.9 | 175.3 | -73.6 | -174.3 | -58.9 | -164.7 | 0 | 114.1 | R433 A436 H470 C677 Q678 M679 | R433-K681 HydrophobicContact CB-CB 4.31Å; R433-K681 HydrophobicContact CB-CG 4.49Å; A436-K681 HydrophobicContact CB-CD 3.88Å; H470-K681 PolarHBondContact NE2-NZ 3.2Å; C677-K681 WeakPolarHBondContact O-CE 3.43Å; C677-K681 VanDerWaalsContact O-CG 3.3Å; C677-K681 WeakPolarHBondContact O-CG 3.45Å; C677-K681 PolarHBondContact O-N 2.77Å; Q678-K681 PolarHBondContact O-N 3.37Å; M679-K681 PolarHBondContact O-N 2.79Å; M679-K681 VanDerWaalsContact O-N 3.16Å |
| 682 | Q | 93.6 | Very high | 91.1 | Very high | 43 Ų | 43 | 31 Ų | 31 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -7.6 | 178.5 | -67.9 | -177.3 | 16.1 | 0 | 0 | 113.3 | Q678 M679 A680 L997 R998 | Q678-Q682 WeakPolarHBondContact O-CG 3.47Å; Q678-Q682 PolarHBondContact O-N 3.42Å; M679-Q682 CarbonylContact O-C 3.35Å; M679-Q682 WeakPolarHBondContact O-CA 3.19Å; M679-Q682 PolarHBondContact O-N 2.88Å; A680-Q682 VanDerWaalsContact C-N 3.3Å; A680-Q682 PolarHBondContact O-N 3.04Å; Q682-L997 HydrophobicContact CB-CD2 4.48Å; Q682-R998 WeakPolarHBondContact O-CB 3.39Å; Q682-R998 WeakPolarHBondContact O-CG 3.33Å; Q682-R998 PolarHBondContact O-N 3.34Å |
| 683 | T | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -61.4 | 139.5 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | N430 M679 L725 Q995 R996 | N430-T683 PolarHBondContact ND2-O 3.1Å; M679-T683 PolarHBondContact O-N 2.88Å; M679-T683 PolarHBondContact O-OG1 3Å; T683-L725 HydrophobicContact CG2-CB 4.08Å; T683-L725 WeakPolarHBondContact CG2-O 3.46Å; T683-Q995 HydrophobicContact CG2-CB 3.6Å; T683-Q995 HydrophobicContact CG2-CG 4.05Å; T683-Q995 PolarHBondContact OG1-OE1 3.43Å; T683-R996 CarbonylContact C-O 3.51Å; T683-R996 WeakPolarHBondContact CA-O 3.39Å; T683-R996 WeakPolarHBondContact CG2-O 3.41Å |
| 684 | M | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -74.4 | 126.5 | 170.1 | -64.8 | -165.3 | -70.1 | 0 | 0 | 109.4 | Y700 A759 R996 R998 | M684-Y700 HydrophobicContact CG-CD1 3.89Å; M684-Y700 HydrophobicContact CG-CG 4.22Å; M684-Y700 HydrophobicContact SD-CD1 3.73Å; M684-A759 HydrophobicContact CE-CB 3.87Å; M684-A759 HydrophobicContact SD-CB 4.3Å; M684-R996 HydrophobicContact CE-CB 4.25Å; M684-R996 HydrophobicContact CE-CG 3.51Å; M684-R996 VanDerWaalsContact CE-NE 3.26Å; M684-R996 PolarHBondContact N-O 3.15Å; M684-R998 HydrophobicContact CG-CB 3.83Å | ||
| 685 | G | 88.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -169.6 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S687 | G685-S687 PolarHBondContact O-N 3.01Š| ||
| 686 | H | 81.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | trans | -70.8 | 130.6 | 178.8 | -60.5 | 86.6 | 0 | 0 | 0 | 110 | F431 R701 L702 Y723 | F431-H686 PolarHBondContact N-O 3.24Å; F431-H686 VanDerWaalsContact N-O 3.15Å; H686-R701 VanDerWaalsContact NE2-CG 3.3Å; H686-R701 WeakPolarHBondContact NE2-CG 3.24Å; H686-R701 PolarHBondContact NE2-NE 2.92Å; H686-L702 PolarHBondContact CE1-O 3.17Å; H686-Y723 HydrophobicContact CB-CD1 4.39Å | ||
| 687 | S | 77.2 | Confident | 88.2 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -96.8 | -33 | 165.6 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | N428 G685 | N428-S687 VanDerWaalsContact O-CB 3.23Å; N428-S687 WeakPolarHBondContact O-CB 3.42Å; N428-S687 PolarHBondContact O-OG 2.85Å; G685-S687 PolarHBondContact O-N 3.01Å |
| 688 | C | 86 | Confident | 87.9 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.088 | 18% | 0.184 | C | C | . | . | trans | -153.4 | 157.8 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | R694 | C688-R694 WeakPolarHBondContact SG-CD 3.41Š| ||
| 689 | Y | 88.2 | Confident | 87.6 | Confident | 92 Ų | 92 | 36.3 Ų | 36.3 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -91.3 | -16.7 | 172.4 | -68.2 | -77.2 | 0 | 0 | 0 | 112.8 | E125 W691 H722 Y723 | E125-Y689 WeakPolarHBondContact OE1-CD2 3.28Å; E125-Y689 WeakPolarHBondContact OE2-CB 3.19Å; E125-Y689 PolarHBondContact OE2-N 3.44Å; Y689-W691 VanDerWaalsContact C-CE3 3.46Å; Y689-W691 VanDerWaalsContact C-N 3.27Å; Y689-W691 HydrophobicContact CD1-CZ3 4.26Å; Y689-W691 WeakPolarHBondContact O-CZ3 3.22Å; Y689-W691 PolarHBondContact O-N 3.05Å; Y689-H722 AromaticContact CD2-NE2 3.75Å; Y689-H722 AromaticContact CE2-CD2 3.56Å; Y689-H722 AromaticContact CE2-NE2 3.43Å; Y689-H722 WeakPolarHBondContact CE2-NE2 3.4Å; Y689-H722 VanDerWaalsContact CE2-O 3.24Å; Y689-H722 WeakPolarHBondContact CE2-O 3.46Å; Y689-H722 VanDerWaalsContact CZ-O 3.29Å; Y689-H722 PolarHBondContact OH-O 2.8Å; Y689-Y723 AromaticContact CD2-CE1 3.96Å; Y689-Y723 HydrophobicContact CD2-CE1 3.96Å; Y689-Y723 HydrophobicContact CE2-CD1 4.01Å; Y689-Y723 AromaticContact CE2-CE1 3.7Å; Y689-Y723 HydrophobicContact CE2-CE1 3.7Å |
| 690 | T | 88 | Confident | 87.5 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | trans | -88.7 | 24.3 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | R692 N693 R694 | T690-R692 PolarHBondContact O-N 3.48Å; T690-N693 PolarHBondContact O-N 3.47Å; T690-R694 WeakPolarHBondContact O-CG 3.32Å | ||
| 691 | W | 84.5 | Confident | 87.3 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -56.2 | -29 | -175.9 | 69.6 | 85.5 | 0 | 0 | 0 | 113.8 | Y689 N693 R694 R701 Y762 | Y689-W691 VanDerWaalsContact C-CE3 3.46Å; Y689-W691 VanDerWaalsContact C-N 3.27Å; Y689-W691 HydrophobicContact CD1-CZ3 4.26Å; Y689-W691 WeakPolarHBondContact O-CZ3 3.22Å; Y689-W691 PolarHBondContact O-N 3.05Å; W691-N693 PolarHBondContact O-N 3.35Å; W691-R694 PolarHBondContact O-N 2.98Å; W691-R694 VanDerWaalsContact O-N 3.1Å; W691-R701 VanDerWaalsContact CZ2-NH1 3.3Å; W691-Y762 AromaticContact NE1-CE1 4Å; W691-Y762 AromaticContact NE1-CZ 3.71Å |
| 692 | R | 83.4 | Confident | 87.2 | Confident | 180 Ų | 180 | 38.8 Ų | 38.8 | 68% | 0.679 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -62.9 | -27.7 | 175.2 | -67.3 | -177.1 | 174.8 | 170.6 | -1.4 | 113.3 | T690 R694 | T690-R692 PolarHBondContact O-N 3.48Å; R692-R694 VanDerWaalsContact C-N 3.31Å |
| 693 | N | 82.1 | Confident | 87.1 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -95.8 | 12.4 | 178.8 | -62.2 | -16.5 | 0 | 0 | 0 | 111.6 | R68 G123 T690 W691 | R68-N693 WeakPolarHBondContact CD-O 3.44Å; R68-N693 WeakPolarHBondContact CG-O 3.42Å; G123-N693 WeakPolarHBondContact CA-ND2 3.19Å; T690-N693 PolarHBondContact O-N 3.47Å; W691-N693 PolarHBondContact O-N 3.35Å |
| 694 | R | 83.9 | Confident | 87 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 6% | 0.06 | 22% | 0.221 | C | C | . | . | trans | -123.6 | 149.2 | -175.5 | -63.9 | 178.7 | 61.1 | 91.5 | 15.9 | 110.9 | R67 E139 N428 C688 T690 W691 R692 D696 | R67-R694 VanDerWaalsContact NE-NH1 3.15Å; E139-R694 IonicContact OE1-CZ 2.65Å; E139-R694 IonicContact OE1-NH1 3.24Å; E139-R694 PolarHBondContact OE1-NH1 2.98Å; E139-R694 IonicContact OE1-NH2 3.72Å; E139-R694 PolarHBondContact OE1-NH2 2.88Å; E139-R694 VanDerWaalsContact OE1-NH2 3.12Å; E139-R694 IonicContact OE2-CZ 3.8Å; E139-R694 IonicContact OE2-NH1 2.99Å; E139-R694 IonicContact OE2-NH2 3.76Å; E139-R694 PolarHBondContact OE2-NH2 3.27Å; N428-R694 PolarHBondContact ND2-NH2 3.18Å; C688-R694 WeakPolarHBondContact SG-CD 3.41Å; T690-R694 WeakPolarHBondContact O-CG 3.32Å; W691-R694 PolarHBondContact O-N 2.98Å; W691-R694 VanDerWaalsContact O-N 3.1Å; R692-R694 VanDerWaalsContact C-N 3.31Å; R694-D696 IonicContact CZ-OD1 2.73Å; R694-D696 IonicContact CZ-OD2 3.16Å; R694-D696 IonicContact NE-OD1 2.94Å; R694-D696 IonicContact NE-OD2 3.68Å; R694-D696 PolarHBondContact NE-OD2 3.36Å; R694-D696 IonicContact NH2-OD1 3.21Å; R694-D696 PolarHBondContact NH2-OD1 2.85Å; R694-D696 IonicContact NH2-OD2 3.92Å; R694-D696 PolarHBondContact NH2-OD2 2.78Å | ||
| 695 | S | 82.6 | Confident | 87.1 | Confident | 24 Ų | 24 | 47 Ų | 47 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | trans | -111.9 | 37.7 | -178.6 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | R67 | R67-S695 PolarHBondContact O-OG 2.57Š| ||
| 696 | D | 85.5 | Confident | 87.4 | Confident | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | trans | -64.5 | 138.4 | -179.1 | -67.2 | -48.3 | 0 | 0 | 0 | 110.7 | R694 K698 S764 | R694-D696 IonicContact CZ-OD1 2.73Å; R694-D696 IonicContact CZ-OD2 3.16Å; R694-D696 IonicContact NE-OD1 2.94Å; R694-D696 IonicContact NE-OD2 3.68Å; R694-D696 PolarHBondContact NE-OD2 3.36Å; R694-D696 IonicContact NH2-OD1 3.21Å; R694-D696 PolarHBondContact NH2-OD1 2.85Å; R694-D696 IonicContact NH2-OD2 3.92Å; R694-D696 PolarHBondContact NH2-OD2 2.78Å; D696-K698 VanDerWaalsContact C-N 3.26Å; D696-K698 PolarHBondContact O-N 2.85Å; D696-S764 WeakPolarHBondContact O-CB 3.43Å; D696-S764 PolarHBondContact O-N 2.94Å; D696-S764 PolarHBondContact O-OG 3.43Å | ||
| 697 | A | 86.8 | Confident | 88 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 60% | 0.603 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -60.6 | -37.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K763 | A697-K763 WeakPolarHBondContact O-CA 3.16Å; A697-K763 WeakPolarHBondContact O-CG 3.34Å |
| 698 | K | 88.5 | Confident | 88.9 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | trans | -149 | 125.8 | 171.7 | -68.6 | -169.8 | 177.4 | -168.6 | 0 | 109.9 | D696 Y700 Y762 | D696-K698 VanDerWaalsContact C-N 3.26Å; D696-K698 PolarHBondContact O-N 2.85Å; K698-Y700 HydrophobicContact CB-CE2 4.47Å; K698-Y762 CarbonylContact C-O 3.59Å; K698-Y762 VanDerWaalsContact CA-O 3.28Å; K698-Y762 WeakPolarHBondContact CA-O 3.38Å | ||
| 699 | A | 90 | Very high | 89.4 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I761 Y762 | A699-I761 CarbonylContact O-C 3.6Å; A699-I761 WeakPolarHBondContact O-CA 3.29Å; A699-Y762 PolarHBondContact N-O 2.87Å; A699-Y762 PolarHBondContact O-N 2.82Å |
| 700 | Y | 92.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 9% | 0.09 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.3 | 179.1 | -58.5 | -94.9 | 0 | 0 | 0 | 108.4 | V429 M684 K698 I761 R998 | V429-Y700 HydrophobicContact CB-CD2 4.49Å; V429-Y700 HydrophobicContact CG1-CD2 4.06Å; V429-Y700 HydrophobicContact CG1-CE2 4.39Å; V429-Y700 HydrophobicContact CG2-CE2 4.43Å; M684-Y700 HydrophobicContact CG-CD1 3.89Å; M684-Y700 HydrophobicContact CG-CG 4.22Å; M684-Y700 HydrophobicContact SD-CD1 3.73Å; K698-Y700 HydrophobicContact CB-CE2 4.47Å; Y700-I761 HydrophobicContact CD1-CD1 3.85Å; Y700-I761 HydrophobicContact CD1-CG1 3.71Å; Y700-I761 HydrophobicContact CE1-CD1 3.55Å; Y700-I761 HydrophobicContact CE1-CG1 3.92Å; Y700-R998 HydrophobicContact CD1-CB 4.19Å; Y700-R998 HydrophobicContact CE1-CB 3.9Å |
| 701 | R | 91.4 | Very high | 90.1 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 25% | 0.249 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.3 | 179.7 | -174.1 | -179.5 | 174.8 | -157.8 | -4.6 | 110.2 | H686 W691 A759 C760 Y762 | H686-R701 VanDerWaalsContact NE2-CG 3.3Å; H686-R701 WeakPolarHBondContact NE2-CG 3.24Å; H686-R701 PolarHBondContact NE2-NE 2.92Å; W691-R701 VanDerWaalsContact CZ2-NH1 3.3Å; R701-A759 CarbonylContact O-C 3.44Å; R701-A759 WeakPolarHBondContact O-CA 3.47Å; R701-A759 VanDerWaalsContact O-CB 3.27Å; R701-A759 WeakPolarHBondContact O-CB 3.43Å; R701-C760 PolarHBondContact N-O 2.71Å; R701-C760 PolarHBondContact O-N 3.02Å; R701-Y762 HydrophobicContact CB-CD2 4.38Å; R701-Y762 HydrophobicContact CB-CE2 3.87Å; R701-Y762 HydrophobicContact CG-CE2 4.44Å; R701-Y762 PolarHBondContact NH1-OH 2.78Å |
| 702 | L | 92.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138.7 | 169.8 | -164.9 | 69.4 | 0 | 0 | 0 | 108.8 | H686 P705 G758 A759 | H686-L702 PolarHBondContact CE1-O 3.17Å; L702-P705 HydrophobicContact CD2-CB 4.04Å; L702-G758 WeakPolarHBondContact CD1-O 3.22Å; L702-A759 HydrophobicContact CD1-CB 4.32Å |
| 703 | F | 91.4 | Very high | 91.2 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -75.5 | -42.2 | -177.1 | -63.8 | -34.8 | 0 | 0 | 0 | 113.1 | P705 G758 A759 C760 | F703-P705 VanDerWaalsContact C-CD 3.41Å; F703-P705 WeakPolarHBondContact O-CD 3.25Å; F703-G758 WeakPolarHBondContact CB-O 3.18Å; F703-G758 WeakPolarHBondContact CD2-O 3.11Å; F703-G758 WeakPolarHBondContact CG-O 3.45Å; F703-G758 PolarHBondContact N-O 3.47Å; F703-A759 WeakPolarHBondContact CZ-O 3.32Å; F703-C760 HydrophobicContact CE1-CB 3.72Å; F703-C760 HydrophobicContact CZ-CB 3.79Å |
| 704 | T | 92.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 49% | 0.485 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -126.6 | 60.4 | -173 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | Q706 | T704-Q706 PolarHBondContact O-N 2.68Š|
| 705 | P | 93.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | trans | -66.1 | 137.5 | 174.3 | 34.9 | -38.7 | 0 | 0 | 0 | 109.8 | L702 F703 P724 G726 | L702-P705 HydrophobicContact CD2-CB 4.04Å; F703-P705 VanDerWaalsContact C-CD 3.41Å; F703-P705 WeakPolarHBondContact O-CD 3.25Å; P705-P724 HydrophobicContact CB-CB 3.88Å; P705-P724 HydrophobicContact CB-CG 3.8Å; P705-P724 WeakPolarHBondContact CB-O 3.5Å; P705-P724 HydrophobicContact CG-CG 4.03Å; P705-G726 CarbonylContact C-O 3.44Å; P705-G726 WeakPolarHBondContact CA-O 3.32Å | ||
| 706 | Q | 94.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -114.7 | 159.3 | 176.7 | -59.2 | 176.7 | -13.3 | 0 | 0 | 110 | T704 P724 G726 F727 N728 Y993 | T704-Q706 PolarHBondContact O-N 2.68Å; Q706-P724 VanDerWaalsContact O-CB 3.25Å; Q706-P724 WeakPolarHBondContact O-CB 3.48Å; Q706-G726 PolarHBondContact N-O 3.22Å; Q706-F727 HydrophobicContact CG-CB 4.49Å; Q706-N728 PolarHBondContact OE1-ND2 2.81Å; Q706-N728 VanDerWaalsContact OE1-ND2 3.1Å; Q706-Y993 VanDerWaalsContact O-CE2 3.32Å; Q706-Y993 WeakPolarHBondContact O-CE2 3.31Å; Q706-Y993 PolarHBondContact O-OH 3.11Å |
| 707 | S | 94.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.203 | 25% | 0.248 | C | C | . | . | trans | -80.3 | 139.2 | 168 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | R711 D721 N728 | S707-R711 VanDerWaalsContact CB-NH2 3.32Å; S707-R711 PolarHBondContact OG-NE 2.88Å; S707-R711 VanDerWaalsContact OG-NE 3.17Å; S707-R711 PolarHBondContact OG-NH2 3.32Å; S707-D721 WeakPolarHBondContact CB-OD1 3.36Å; S707-D721 PolarHBondContact OG-OD1 3.38Å; S707-N728 PolarHBondContact O-ND2 3.29Å | ||
| 708 | P | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -62.8 | 138 | 174 | 23.3 | -29.9 | 0 | 0 | 0 | 111.6 | V710 R711 Y715 N728 Y993 | P708-V710 VanDerWaalsContact C-N 3.31Å; P708-R711 HydrophobicContact CG-CG 4.21Å; P708-R711 WeakPolarHBondContact O-CG 3.38Å; P708-R711 PolarHBondContact O-NE 3.21Å; P708-Y715 VanDerWaalsContact CD-OH 3.29Å; P708-Y715 WeakPolarHBondContact CD-OH 3.49Å; P708-Y715 HydrophobicContact CG-CD2 4.29Å; P708-Y715 HydrophobicContact CG-CE1 4.3Å; P708-Y715 HydrophobicContact CG-CE2 3.7Å; P708-N728 WeakPolarHBondContact CA-OD1 3.44Å; P708-Y993 HydrophobicContact CB-CD1 4.37Å; P708-Y993 HydrophobicContact CB-CD2 3.59Å; P708-Y993 HydrophobicContact CB-CE2 3.96Å; P708-Y993 HydrophobicContact CB-CG 3.77Å; P708-Y993 HydrophobicContact CG-CD2 4.41Å; P708-Y993 HydrophobicContact CG-CE2 4.31Å | ||
| 709 | L | 96 | Very high | 93.7 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -68.7 | -32.9 | 172.8 | -63.8 | 177.7 | 0 | 0 | 0 | 112.4 | N728 G930 A933 A934 L939 I940 V991 | L709-N728 PolarHBondContact N-OD1 3.2Å; L709-G930 WeakPolarHBondContact CD1-O 3.3Å; L709-A933 HydrophobicContact CB-CB 3.89Å; L709-A933 HydrophobicContact CD1-CB 4.47Å; L709-A934 HydrophobicContact CD1-CB 3.95Å; L709-L939 HydrophobicContact CD2-CD2 4.46Å; L709-I940 PolarHBondContact O-N 2.89Å; L709-V991 HydrophobicContact CD1-CG1 3.93Å |
| 710 | V | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112.1 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | P663 Y664 P708 R880 E926 A929 A942 | P663-V710 HydrophobicContact CB-CG1 4.1Å; Y664-V710 HydrophobicContact CE2-CG1 4Å; P708-V710 VanDerWaalsContact C-N 3.31Å; V710-R880 PolarHBondContact O-NH1 3.19Å; V710-R880 VanDerWaalsContact O-NH1 3.08Å; V710-R880 PolarHBondContact O-NH2 3.25Å; V710-E926 HydrophobicContact CB-CG 4.24Å; V710-E926 HydrophobicContact CG1-CG 4.42Å; V710-E926 HydrophobicContact CG2-CG 4.1Å; V710-A929 HydrophobicContact CG1-CB 4.48Å; V710-A929 HydrophobicContact CG2-CB 3.71Å; V710-A942 HydrophobicContact CG1-CB 3.34Å |
| 711 | R | 94.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156.5 | -170.7 | -52.3 | -169.4 | -172 | 173.8 | 6 | 110.7 | S707 P708 Y715 D721 I940 D941 A942 | S707-R711 VanDerWaalsContact CB-NH2 3.32Å; S707-R711 PolarHBondContact OG-NE 2.88Å; S707-R711 VanDerWaalsContact OG-NE 3.17Å; S707-R711 PolarHBondContact OG-NH2 3.32Å; P708-R711 HydrophobicContact CG-CG 4.21Å; P708-R711 WeakPolarHBondContact O-CG 3.38Å; P708-R711 PolarHBondContact O-NE 3.21Å; R711-Y715 HydrophobicContact CB-CD1 4.36Å; R711-Y715 HydrophobicContact CB-CG 4.46Å; R711-Y715 HydrophobicContact CG-CD1 4.32Å; R711-D721 IonicContact CZ-OD1 2.8Å; R711-D721 IonicContact CZ-OD2 3.14Å; R711-D721 IonicContact NH1-OD1 3.49Å; R711-D721 IonicContact NH1-OD2 3.85Å; R711-D721 PolarHBondContact NH1-OD2 3.17Å; R711-D721 IonicContact NH2-OD2 2.98Å; R711-I940 PolarHBondContact N-O 2.92Å; R711-D941 CarbonylContact O-C 3.56Å; R711-D941 VanDerWaalsContact O-CA 3.28Å; R711-D941 WeakPolarHBondContact O-CA 3.31Å; R711-A942 PolarHBondContact O-N 3.46Å |
| 712 | T | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | trans | -101.1 | 160.6 | 170.8 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | G660 M714 Y715 V716 | G660-T712 WeakPolarHBondContact O-CB 3.47Å; G660-T712 WeakPolarHBondContact O-CG2 3.15Å; G660-T712 PolarHBondContact O-OG1 3.2Å; T712-M714 PolarHBondContact O-N 3.19Å; T712-M714 VanDerWaalsContact O-N 3.14Å; T712-Y715 VanDerWaalsContact O-CB 3.27Å; T712-Y715 WeakPolarHBondContact O-CB 3.43Å; T712-Y715 PolarHBondContact O-N 3.46Å; T712-Y715 PolarHBondContact OG1-N 3.19Å; T712-V716 PolarHBondContact O-N 3.44Å | ||
| 713 | K | 94.5 | Very high | 93.7 | Very high | 101 Ų | 101 | 44.8 Ų | 44.8 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.5 | -34.9 | 170.5 | -71.8 | 173.7 | -166.5 | 167.4 | 0 | 111.6 | V716 K717 D941 T943 | K713-V716 PolarHBondContact O-N 2.9Å; K713-K717 VanDerWaalsContact O-CB 3.23Å; K713-K717 WeakPolarHBondContact O-CB 3.31Å; K713-K717 PolarHBondContact O-N 2.82Å; K713-D941 WeakPolarHBondContact CE-OD2 3.09Å; K713-T943 HydrophobicContact CB-CG2 4.49Å; K713-T943 HydrophobicContact CD-CG2 4.23Å; K713-T943 HydrophobicContact CG-CG2 4.5Å; K713-T943 WeakPolarHBondContact CG-OG1 3.26Å; K713-T943 PolarHBondContact N-OG1 3.46Å |
| 714 | M | 94.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.2 | -164.6 | 63.8 | 70.8 | 0 | 0 | 112.5 | E485 F657 G660 L661 T712 V716 K717 Y718 | E485-M714 HydrophobicContact CB-CE 3.71Å; E485-M714 HydrophobicContact CB-SD 4.24Å; E485-M714 HydrophobicContact CG-CE 3.73Å; E485-M714 HydrophobicContact CG-SD 3.64Å; F657-M714 HydrophobicContact CD2-CG 4.4Å; G660-M714 WeakPolarHBondContact O-CB 3.38Å; L661-M714 HydrophobicContact CD2-CB 4.33Å; L661-M714 HydrophobicContact CD2-CG 4.23Å; T712-M714 PolarHBondContact O-N 3.19Å; T712-M714 VanDerWaalsContact O-N 3.14Å; M714-V716 VanDerWaalsContact C-N 3.32Å; M714-V716 PolarHBondContact O-N 3.5Å; M714-K717 PolarHBondContact O-N 2.86Å; M714-K717 HydrophobicContact SD-CD 4.38Å; M714-Y718 HydrophobicContact CG-CD2 4.2Å; M714-Y718 PolarHBondContact O-N 3.47Å; M714-Y718 VanDerWaalsContact O-N 3.14Å; M714-Y718 HydrophobicContact SD-CD2 3.61Å; M714-Y718 HydrophobicContact SD-CE2 3.47Å; M714-Y718 WeakPolarHBondContact SD-CE2 3.08Å |
| 715 | Y | 95.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 177.9 | -169.6 | -78.3 | 0 | 0 | 0 | 111.2 | L661 P708 R711 T712 D719 V720 D721 | L661-Y715 HydrophobicContact CD2-CD2 4.06Å; L661-Y715 HydrophobicContact CD2-CG 4.43Å; P708-Y715 VanDerWaalsContact CD-OH 3.29Å; P708-Y715 WeakPolarHBondContact CD-OH 3.49Å; P708-Y715 HydrophobicContact CG-CD2 4.29Å; P708-Y715 HydrophobicContact CG-CE1 4.3Å; P708-Y715 HydrophobicContact CG-CE2 3.7Å; R711-Y715 HydrophobicContact CB-CD1 4.36Å; R711-Y715 HydrophobicContact CB-CG 4.46Å; R711-Y715 HydrophobicContact CG-CD1 4.32Å; T712-Y715 VanDerWaalsContact O-CB 3.27Å; T712-Y715 WeakPolarHBondContact O-CB 3.43Å; T712-Y715 PolarHBondContact O-N 3.46Å; T712-Y715 PolarHBondContact OG1-N 3.19Å; Y715-D719 PolarHBondContact O-N 3.22Å; Y715-V720 HydrophobicContact CD1-CB 4.22Å; Y715-V720 HydrophobicContact CD2-CB 3.83Å; Y715-V720 HydrophobicContact CD2-CG1 4.01Å; Y715-V720 HydrophobicContact CD2-CG2 4.4Å; Y715-V720 HydrophobicContact CE1-CB 4.07Å; Y715-V720 HydrophobicContact CE2-CB 3.67Å; Y715-V720 HydrophobicContact CE2-CG1 3.56Å; Y715-V720 HydrophobicContact CG-CB 4.08Å; Y715-V720 PolarHBondContact O-N 2.76Å; Y715-V720 VanDerWaalsContact O-N 3.16Å; Y715-D721 HydrophobicContact CE1-CB 4.45Å; Y715-D721 VanDerWaalsContact CE1-OD1 3.26Å; Y715-D721 WeakPolarHBondContact CE1-OD1 3.36Å; Y715-D721 PolarHBondContact OH-OD1 3.06Å; Y715-D721 VanDerWaalsContact OH-OD1 3.12Å |
| 716 | V | 94.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 58% | 0.582 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -70.4 | -47.3 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | T712 K713 M714 Y718 D719 | T712-V716 PolarHBondContact O-N 3.44Å; K713-V716 PolarHBondContact O-N 2.9Å; M714-V716 VanDerWaalsContact C-N 3.32Å; M714-V716 PolarHBondContact O-N 3.5Å; V716-Y718 PolarHBondContact O-N 2.83Å; V716-D719 PolarHBondContact O-N 3.16Å |
| 717 | K | 93.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 31.8 Ų | 31.8 | 51% | 0.509 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.8 | -38.3 | -179.9 | -179.4 | -176 | -176.1 | -176.6 | 0 | 112.9 | E485 K713 M714 | E485-K717 VanDerWaalsContact OE1-CE 3.31Å; E485-K717 WeakPolarHBondContact OE1-CE 3.41Å; E485-K717 IonicContact OE1-NZ 2.89Å; E485-K717 PolarHBondContact OE1-NZ 3.47Å; E485-K717 IonicContact OE2-NZ 3.91Å; E485-K717 PolarHBondContact OE2-NZ 3.42Å; K713-K717 VanDerWaalsContact O-CB 3.23Å; K713-K717 WeakPolarHBondContact O-CB 3.31Å; K713-K717 PolarHBondContact O-N 2.82Å; M714-K717 PolarHBondContact O-N 2.86Å; M714-K717 HydrophobicContact SD-CD 4.38Å |
| 718 | Y | 92.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -1.6 | -179.1 | -81.6 | -83.8 | 0 | 0 | 0 | 114.2 | M1 L4 E485 F657 M714 V716 V720 | M1-Y718 WeakPolarHBondContact CE-O 3.44Å; M1-Y718 HydrophobicContact CG-CD1 4.5Å; M1-Y718 WeakPolarHBondContact CG-O 3.3Å; L4-Y718 HydrophobicContact CD1-CD1 3.93Å; L4-Y718 HydrophobicContact CD1-CE1 3.94Å; L4-Y718 HydrophobicContact CD2-CD1 4.38Å; L4-Y718 HydrophobicContact CD2-CE1 3.68Å; L4-Y718 HydrophobicContact CG-CD1 4.09Å; L4-Y718 HydrophobicContact CG-CE1 3.58Å; E485-Y718 HydrophobicContact CG-CE2 3.71Å; E485-Y718 WeakPolarHBondContact CG-OH 3.4Å; E485-Y718 VanDerWaalsContact OE1-CE2 3.23Å; E485-Y718 WeakPolarHBondContact OE1-CE2 3.15Å; E485-Y718 VanDerWaalsContact OE1-CZ 3.26Å; E485-Y718 PolarHBondContact OE1-OH 2.99Å; F657-Y718 HydrophobicContact CD2-CD1 4.28Å; F657-Y718 AromaticContact CD2-CD2 3.82Å; F657-Y718 HydrophobicContact CD2-CD2 3.82Å; F657-Y718 HydrophobicContact CD2-CE2 4.19Å; F657-Y718 AromaticContact CD2-CG 3.87Å; F657-Y718 HydrophobicContact CD2-CG 3.87Å; F657-Y718 HydrophobicContact CE2-CD1 4.12Å; F657-Y718 AromaticContact CE2-CD2 3.95Å; F657-Y718 HydrophobicContact CE2-CD2 3.95Å; F657-Y718 AromaticContact CE2-CG 3.61Å; F657-Y718 HydrophobicContact CE2-CG 3.61Å; M714-Y718 HydrophobicContact CG-CD2 4.2Å; M714-Y718 PolarHBondContact O-N 3.47Å; M714-Y718 VanDerWaalsContact O-N 3.14Å; M714-Y718 HydrophobicContact SD-CD2 3.61Å; M714-Y718 HydrophobicContact SD-CE2 3.47Å; M714-Y718 WeakPolarHBondContact SD-CE2 3.08Å; V716-Y718 PolarHBondContact O-N 2.83Å; Y718-V720 VanDerWaalsContact C-N 3.29Å; Y718-V720 PolarHBondContact O-N 2.78Å |
| 719 | D | 92 | Very high | 93.8 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 40% | 0.401 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 49.9 | -177.8 | -170.2 | 18.5 | 0 | 0 | 0 | 111.9 | M1 K127 Y715 V716 D721 H722 | M1-D719 WeakPolarHBondContact CE-O 3.27Å; K127-D719 IonicContact NZ-OD2 3.32Å; K127-D719 PolarHBondContact NZ-OD2 3.3Å; Y715-D719 PolarHBondContact O-N 3.22Å; V716-D719 PolarHBondContact O-N 3.16Å; D719-D721 PolarHBondContact O-N 3.41Å; D719-H722 WeakPolarHBondContact O-CB 3.32Å; D719-H722 PolarHBondContact O-N 3.03Å; D719-H722 VanDerWaalsContact O-N 3.16Å |
| 720 | V | 92.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -66.5 | -14.1 | -177.5 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | L432 F657 L661 Y715 Y718 H722 Y723 | L432-V720 HydrophobicContact CD2-CG1 4.49Å; F657-V720 HydrophobicContact CE2-CG2 3.99Å; F657-V720 HydrophobicContact CZ-CG2 4Å; L661-V720 HydrophobicContact CD2-CG2 4.11Å; Y715-V720 HydrophobicContact CD1-CB 4.22Å; Y715-V720 HydrophobicContact CD2-CB 3.83Å; Y715-V720 HydrophobicContact CD2-CG1 4.01Å; Y715-V720 HydrophobicContact CD2-CG2 4.4Å; Y715-V720 HydrophobicContact CE1-CB 4.07Å; Y715-V720 HydrophobicContact CE2-CB 3.67Å; Y715-V720 HydrophobicContact CE2-CG1 3.56Å; Y715-V720 HydrophobicContact CG-CB 4.08Å; Y715-V720 PolarHBondContact O-N 2.76Å; Y715-V720 VanDerWaalsContact O-N 3.16Å; Y718-V720 VanDerWaalsContact C-N 3.29Å; Y718-V720 PolarHBondContact O-N 2.78Å; V720-H722 PolarHBondContact O-N 3.39Å; V720-H722 VanDerWaalsContact O-N 3.14Å; V720-Y723 CarbonylContact O-C 3.44Å; V720-Y723 VanDerWaalsContact O-C 3.27Å; V720-Y723 PolarHBondContact O-N 2.92Å |
| 721 | D | 91 | Very high | 93.7 | Very high | 57 Ų | 57 | 32 Ų | 32 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -55.6 | -26 | 170.2 | -90.6 | -17.7 | 0 | 0 | 0 | 113.3 | S707 R711 Y715 D719 Y723 P724 | S707-D721 WeakPolarHBondContact CB-OD1 3.36Å; S707-D721 PolarHBondContact OG-OD1 3.38Å; R711-D721 IonicContact CZ-OD1 2.8Å; R711-D721 IonicContact CZ-OD2 3.14Å; R711-D721 IonicContact NH1-OD1 3.49Å; R711-D721 IonicContact NH1-OD2 3.85Å; R711-D721 PolarHBondContact NH1-OD2 3.17Å; R711-D721 IonicContact NH2-OD2 2.98Å; Y715-D721 HydrophobicContact CE1-CB 4.45Å; Y715-D721 VanDerWaalsContact CE1-OD1 3.26Å; Y715-D721 WeakPolarHBondContact CE1-OD1 3.36Å; Y715-D721 PolarHBondContact OH-OD1 3.06Å; Y715-D721 VanDerWaalsContact OH-OD1 3.12Å; D719-D721 PolarHBondContact O-N 3.41Å; D721-Y723 PolarHBondContact O-N 2.88Å; D721-P724 VanDerWaalsContact O-CD 3.31Å; D721-P724 WeakPolarHBondContact O-CD 3.18Å |
| 722 | H | 90.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -65.6 | -20.7 | 173.7 | -157.5 | 85.1 | 0 | 0 | 0 | 112.6 | M1 E125 K127 Y689 D719 V720 | M1-H722 HydrophobicContact CE-CB 4.06Å; E125-H722 IonicContact OE1-NE2 3.98Å; E125-H722 PolarHBondContact OE1-NE2 3.14Å; K127-H722 HydrophobicContact CD-CB 4.19Å; K127-H722 PolarHBondContact NZ-ND1 2.75Å; Y689-H722 AromaticContact CD2-NE2 3.75Å; Y689-H722 AromaticContact CE2-CD2 3.56Å; Y689-H722 AromaticContact CE2-NE2 3.43Å; Y689-H722 WeakPolarHBondContact CE2-NE2 3.4Å; Y689-H722 VanDerWaalsContact CE2-O 3.24Å; Y689-H722 WeakPolarHBondContact CE2-O 3.46Å; Y689-H722 VanDerWaalsContact CZ-O 3.29Å; Y689-H722 PolarHBondContact OH-O 2.8Å; D719-H722 WeakPolarHBondContact O-CB 3.32Å; D719-H722 PolarHBondContact O-N 3.03Å; D719-H722 VanDerWaalsContact O-N 3.16Å; V720-H722 PolarHBondContact O-N 3.39Å; V720-H722 VanDerWaalsContact O-N 3.14Å |
| 723 | Y | 91.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -136.3 | 69.9 | 177 | -57.8 | -72.6 | 0 | 0 | 0 | 111.8 | M1 E125 F431 H686 Y689 V720 D721 | M1-Y723 HydrophobicContact CE-CD2 3.91Å; M1-Y723 HydrophobicContact CE-CE2 4Å; M1-Y723 HydrophobicContact SD-CD2 4.29Å; M1-Y723 HydrophobicContact SD-CE2 3.92Å; E125-Y723 VanDerWaalsContact CG-OH 3.24Å; E125-Y723 WeakPolarHBondContact CG-OH 3.35Å; F431-Y723 HydrophobicContact CB-CD1 4.22Å; F431-Y723 HydrophobicContact CB-CD2 3.85Å; F431-Y723 HydrophobicContact CB-CG 3.63Å; F431-Y723 AromaticContact CD1-CD2 3.71Å; F431-Y723 HydrophobicContact CD1-CD2 3.71Å; F431-Y723 HydrophobicContact CD1-CE2 4.46Å; F431-Y723 HydrophobicContact CD1-CG 4.26Å; F431-Y723 AromaticContact CD2-CD2 3.53Å; F431-Y723 HydrophobicContact CD2-CD2 3.53Å; F431-Y723 AromaticContact CD2-CE2 3.56Å; F431-Y723 HydrophobicContact CD2-CE2 3.56Å; F431-Y723 HydrophobicContact CD2-CG 4.13Å; F431-Y723 HydrophobicContact CE1-CD2 4.14Å; F431-Y723 AromaticContact CE2-CD2 3.98Å; F431-Y723 HydrophobicContact CE2-CD2 3.98Å; F431-Y723 AromaticContact CE2-CE2 3.76Å; F431-Y723 HydrophobicContact CE2-CE2 3.76Å; F431-Y723 AromaticContact CG-CD2 3.38Å; F431-Y723 HydrophobicContact CG-CD2 3.38Å; F431-Y723 AromaticContact CG-CE2 3.95Å; F431-Y723 HydrophobicContact CG-CE2 3.95Å; F431-Y723 AromaticContact CG-CG 3.74Å; F431-Y723 HydrophobicContact CG-CG 3.74Å; F431-Y723 HydrophobicContact CZ-CD2 4.27Å; F431-Y723 HydrophobicContact CZ-CE2 4.3Å; H686-Y723 HydrophobicContact CB-CD1 4.39Å; Y689-Y723 AromaticContact CD2-CE1 3.96Å; Y689-Y723 HydrophobicContact CD2-CE1 3.96Å; Y689-Y723 HydrophobicContact CE2-CD1 4.01Å; Y689-Y723 AromaticContact CE2-CE1 3.7Å; Y689-Y723 HydrophobicContact CE2-CE1 3.7Å; V720-Y723 CarbonylContact O-C 3.44Å; V720-Y723 VanDerWaalsContact O-C 3.27Å; V720-Y723 PolarHBondContact O-N 2.92Å; D721-Y723 PolarHBondContact O-N 2.88Å |
| 724 | P | 91.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | trans | -71.2 | 142.9 | 179.5 | 19 | -9.6 | 0 | 0 | 0 | 110.4 | P705 Q706 D721 | P705-P724 HydrophobicContact CB-CB 3.88Å; P705-P724 HydrophobicContact CB-CG 3.8Å; P705-P724 WeakPolarHBondContact CB-O 3.5Å; P705-P724 HydrophobicContact CG-CG 4.03Å; Q706-P724 VanDerWaalsContact O-CB 3.25Å; Q706-P724 WeakPolarHBondContact O-CB 3.48Å; D721-P724 VanDerWaalsContact O-CD 3.31Å; D721-P724 WeakPolarHBondContact O-CD 3.18Å | ||
| 725 | L | 92.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -112.3 | -4.7 | -169.2 | -66.1 | -170.2 | 0 | 0 | 0 | 115 | N430 L432 T683 Y993 | N430-L725 HydrophobicContact CB-CD2 3.65Å; L432-L725 HydrophobicContact CB-CD1 4.24Å; L432-L725 HydrophobicContact CD1-CD1 3.33Å; L432-L725 HydrophobicContact CG-CD1 3.6Å; T683-L725 HydrophobicContact CG2-CB 4.08Å; T683-L725 WeakPolarHBondContact CG2-O 3.46Å; L725-Y993 PolarHBondContact N-OH 3.22Å; L725-Y993 VanDerWaalsContact N-OH 3.16Å | ||
| 726 | G | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | -162.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P705 Q706 Y993 Y994 | P705-G726 CarbonylContact C-O 3.44Å; P705-G726 WeakPolarHBondContact CA-O 3.32Å; Q706-G726 PolarHBondContact N-O 3.22Å; G726-Y993 WeakPolarHBondContact CA-OH 3.41Å; G726-Y993 PolarHBondContact N-OH 2.98Å; G726-Y994 CarbonylContact C-O 3.55Å; G726-Y994 WeakPolarHBondContact CA-O 3.35Å |
| 727 | F | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 2% | 0.022 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149.7 | -176.6 | 53.9 | -86.1 | 0 | 0 | 0 | 109.3 | Q706 A729 L756 A757 Y877 Y994 | Q706-F727 HydrophobicContact CG-CB 4.49Å; F727-A729 HydrophobicContact CD2-CB 4Å; F727-A729 HydrophobicContact CE2-CB 3.9Å; F727-L756 HydrophobicContact CD2-CD1 3.57Å; F727-L756 HydrophobicContact CD2-CG 4.48Å; F727-L756 HydrophobicContact CE2-CD1 3.63Å; F727-L756 HydrophobicContact CE2-CD2 4.45Å; F727-L756 HydrophobicContact CE2-CG 4.12Å; F727-L756 HydrophobicContact CG-CD1 4.29Å; F727-L756 HydrophobicContact CZ-CD1 4.41Å; F727-A757 HydrophobicContact CD1-CB 4.06Å; F727-A757 HydrophobicContact CE1-CB 3.4Å; F727-A757 HydrophobicContact CZ-CB 3.81Å; F727-Y877 HydrophobicContact CE1-CD1 4.46Å; F727-Y877 HydrophobicContact CE1-CE1 4.48Å; F727-Y877 HydrophobicContact CZ-CD1 4.15Å; F727-Y877 HydrophobicContact CZ-CE1 4.29Å; F727-Y994 PolarHBondContact N-O 2.9Å; F727-Y994 PolarHBondContact O-N 3.03Å |
| 728 | N | 96.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.3 | 170.5 | -54.4 | -74.1 | 0 | 0 | 0 | 107.6 | Q706 S707 P708 L709 V991 | Q706-N728 PolarHBondContact OE1-ND2 2.81Å; Q706-N728 VanDerWaalsContact OE1-ND2 3.1Å; S707-N728 PolarHBondContact O-ND2 3.29Å; P708-N728 WeakPolarHBondContact CA-OD1 3.44Å; L709-N728 PolarHBondContact N-OD1 3.2Å; N728-V991 HydrophobicContact CB-CG1 3.83Å |
| 729 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F727 V731 D907 L908 V991 V992 | F727-A729 HydrophobicContact CD2-CB 4Å; F727-A729 HydrophobicContact CE2-CB 3.9Å; A729-V731 HydrophobicContact CB-CG2 4.35Å; A729-V731 PolarHBondContact O-N 3.06Å; A729-D907 HydrophobicContact CB-CB 4.32Å; A729-L908 HydrophobicContact CB-CD1 3.45Å; A729-L908 VanDerWaalsContact CB-CD1 3.45Å; A729-V991 WeakPolarHBondContact O-CA 3.34Å; A729-V992 PolarHBondContact N-O 3.44Å; A729-V992 PolarHBondContact O-N 3.27Å |
| 730 | I | 96.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 24% | 0.236 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.2 | 170.1 | -57.7 | 175.6 | 0 | 0 | 0 | 107.3 | P906 D907 L908 V989 V991 | I730-P906 HydrophobicContact CG2-CB 4.33Å; I730-D907 PolarHBondContact N-OD2 3.21Å; I730-D907 PolarHBondContact O-N 3.11Å; I730-L908 PolarHBondContact O-N 2.74Å; I730-V989 HydrophobicContact CG2-CG1 3.89Å; I730-V991 HydrophobicContact CG1-CG2 4.46Å |
| 731 | V | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.5 | -175.9 | -174 | 0 | 0 | 0 | 0 | 108.9 | A729 L908 F910 F927 V989 G990 V992 Y994 | A729-V731 HydrophobicContact CB-CG2 4.35Å; A729-V731 PolarHBondContact O-N 3.06Å; V731-L908 WeakPolarHBondContact CA-O 3.36Å; V731-L908 HydrophobicContact CG1-CB 4.38Å; V731-L908 HydrophobicContact CG2-CB 4.15Å; V731-L908 HydrophobicContact CG2-CD1 4.11Å; V731-F910 HydrophobicContact CG1-CB 3.9Å; V731-F927 HydrophobicContact CB-CE1 3.53Å; V731-F927 HydrophobicContact CB-CZ 3.8Å; V731-F927 HydrophobicContact CG1-CE1 3.8Å; V731-F927 HydrophobicContact CG1-CZ 3.64Å; V731-F927 WeakPolarHBondContact O-CE1 3.43Å; V731-V989 WeakPolarHBondContact O-CA 3.48Å; V731-G990 PolarHBondContact N-O 3.23Å; V731-G990 PolarHBondContact O-N 2.97Å; V731-V992 HydrophobicContact CG2-CB 4.2Å; V731-Y994 HydrophobicContact CG2-CD2 4.24Å; V731-Y994 HydrophobicContact CG2-CE2 3.78Å |
| 732 | A | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | M734 P906 L908 I909 F910 I987 V989 | A732-M734 PolarHBondContact O-N 3.18Å; A732-P906 HydrophobicContact CB-CB 3.83Å; A732-P906 HydrophobicContact CB-CG 3.81Å; A732-L908 PolarHBondContact N-O 3.29Å; A732-I909 WeakPolarHBondContact O-CA 3.45Å; A732-F910 PolarHBondContact O-N 3.39Å; A732-I987 HydrophobicContact CB-CG2 4.13Å; A732-V989 HydrophobicContact CB-CG2 4.07Å |
| 733 | V | 94.4 | Very high | 91 | Very high | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 96.6 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | F910 P912 F915 F927 Y988 | V733-F910 CarbonylContact C-O 3.29Å; V733-F910 VanDerWaalsContact CA-O 3.3Å; V733-F910 WeakPolarHBondContact CA-O 3.37Å; V733-P912 HydrophobicContact CG1-CB 3.96Å; V733-F915 HydrophobicContact CG1-CD2 4.3Å; V733-F915 HydrophobicContact CG1-CE2 3.7Å; V733-F915 HydrophobicContact CG2-CE2 4.08Å; V733-F915 HydrophobicContact CG2-CZ 4.39Å; V733-F927 HydrophobicContact CG2-CE1 3.78Å; V733-F927 HydrophobicContact CG2-CE2 4.07Å; V733-F927 HydrophobicContact CG2-CZ 3.45Å; V733-F927 VanDerWaalsContact CG2-CZ 3.45Å; V733-Y988 HydrophobicContact CG2-CD1 4.25Å; V733-Y988 PolarHBondContact N-O 2.92Å |
| 734 | M | 93.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | trans | -158.1 | 158.1 | 178.6 | 65.3 | -179.2 | -56.9 | 0 | 0 | 111.9 | A732 Y736 P897 I909 F910 L983 I987 | A732-M734 PolarHBondContact O-N 3.18Å; M734-Y736 HydrophobicContact CE-CD2 3.73Å; M734-Y736 HydrophobicContact CE-CG 3.98Å; M734-Y736 HydrophobicContact SD-CG 4.5Å; M734-P897 HydrophobicContact SD-CB 4.2Å; M734-P897 HydrophobicContact SD-CG 3.68Å; M734-I909 HydrophobicContact CG-CG2 3.91Å; M734-I909 WeakPolarHBondContact O-CG2 3.24Å; M734-F910 PolarHBondContact N-O 2.96Å; M734-L983 HydrophobicContact CE-CD1 3.41Å; M734-L983 VanDerWaalsContact CE-CD1 3.41Å; M734-L983 HydrophobicContact CE-CD2 4.45Å; M734-L983 HydrophobicContact SD-CD1 4.32Å; M734-I987 HydrophobicContact CB-CD1 3.95Å; M734-I987 HydrophobicContact CB-CG2 3.97Å; M734-I987 HydrophobicContact CE-CD1 4.13Å; M734-I987 HydrophobicContact CE-CG1 4.36Å; M734-I987 HydrophobicContact CG-CG2 4.29Å; M734-I987 HydrophobicContact SD-CD1 4.41Å; M734-I987 HydrophobicContact SD-CG1 4.21Å; M734-I987 HydrophobicContact SD-CG2 4.15Å | ||
| 735 | S | 92.2 | Very high | 90.9 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 43% | 0.427 | 21% | 0.206 | S | C | . | . | trans | -96.1 | 104.7 | 166.5 | -60.5 | 0 | 0 | 0 | 0 | 107.6 | N911 P912 | S735-N911 PolarHBondContact OG-ND2 2.74Å; S735-N911 PolarHBondContact OG-OD1 2.89Å; S735-P912 WeakPolarHBondContact OG-CD 3.48Å | ||
| 736 | Y | 90.4 | Very high | 91 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | trans | -118.3 | -54.6 | -174.8 | -175.8 | -120.2 | 0 | 0 | 0 | 112.3 | M734 D740 I891 E895 P897 I909 S976 G977 S978 | M734-Y736 HydrophobicContact CE-CD2 3.73Å; M734-Y736 HydrophobicContact CE-CG 3.98Å; M734-Y736 HydrophobicContact SD-CG 4.5Å; Y736-D740 PolarHBondContact N-OD2 3.37Å; Y736-D740 VanDerWaalsContact N-OD2 3.16Å; Y736-I891 HydrophobicContact CD1-CD1 4.47Å; Y736-I891 HydrophobicContact CE1-CD1 4.14Å; Y736-E895 VanDerWaalsContact CE1-O 3.27Å; Y736-E895 WeakPolarHBondContact CE1-O 3.09Å; Y736-E895 PolarHBondContact OH-O 3.16Å; Y736-P897 HydrophobicContact CD1-CG 4.46Å; Y736-I909 HydrophobicContact CD1-CD1 4.06Å; Y736-S976 PolarHBondContact OH-OG 3.48Å; Y736-G977 PolarHBondContact OH-N 3.15Å; Y736-S978 PolarHBondContact OH-N 2.87Å; Y736-S978 VanDerWaalsContact OH-N 3.17Å; Y736-S978 PolarHBondContact OH-OG 3.09Å | ||
| 737 | T | 86.2 | Confident | 91 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -88.7 | -20 | -166.8 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | Y739 D740 V746 I891 | T737-Y739 WeakPolarHBondContact O-CD2 3.28Å; T737-Y739 PolarHBondContact O-N 3.4Å; T737-Y739 PolarHBondContact OG1-N 3.38Å; T737-Y739 VanDerWaalsContact OG1-N 3.1Å; T737-D740 PolarHBondContact N-OD2 2.85Å; T737-D740 PolarHBondContact OG1-OD2 2.85Å; T737-V746 HydrophobicContact CG2-CG1 4.3Å; T737-V746 HydrophobicContact CG2-CG2 4.1Å; T737-V746 WeakPolarHBondContact OG1-CG2 3.02Å; T737-I891 HydrophobicContact CG2-CD1 3.8Å |
| 738 | G | 87.8 | Confident | 91 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 46% | 0.464 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 73.8 | -12 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D740 | G738-D740 VanDerWaalsContact C-N 3.34Š|
| 739 | Y | 90.1 | Very high | 90.9 | Very high | 149 Ų | 149 | 40.3 Ų | 40.3 | 58% | 0.584 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -91 | 3.3 | 174.1 | -71.3 | -85.1 | 0 | 0 | 0 | 112.7 | T737 A744 S888 L889 | T737-Y739 WeakPolarHBondContact O-CD2 3.28Å; T737-Y739 PolarHBondContact O-N 3.4Å; T737-Y739 PolarHBondContact OG1-N 3.38Å; T737-Y739 VanDerWaalsContact OG1-N 3.1Å; Y739-A744 WeakPolarHBondContact O-CB 3.38Å; Y739-S888 WeakPolarHBondContact O-CB 3.47Å; Y739-S888 PolarHBondContact O-OG 2.92Å; Y739-L889 HydrophobicContact CD2-CD2 3.94Å; Y739-L889 HydrophobicContact CE2-CD2 4.45Å; Y739-L889 HydrophobicContact CG-CD2 4.25Å |
| 740 | D | 87.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -101.3 | 9.9 | -179.4 | 49.5 | 21.2 | 0 | 0 | 0 | 112.7 | Y736 T737 G738 V746 N911 | Y736-D740 PolarHBondContact N-OD2 3.37Å; Y736-D740 VanDerWaalsContact N-OD2 3.16Å; T737-D740 PolarHBondContact N-OD2 2.85Å; T737-D740 PolarHBondContact OG1-OD2 2.85Å; G738-D740 VanDerWaalsContact C-N 3.34Å; D740-V746 HydrophobicContact CB-CG2 4.26Å; D740-N911 HydrophobicContact CB-CB 4.16Å; D740-N911 WeakPolarHBondContact O-CB 3.49Å; D740-N911 PolarHBondContact O-ND2 2.81Å; D740-N911 PolarHBondContact OD1-ND2 2.72Å; D740-N911 VanDerWaalsContact OD1-ND2 3.16Å | ||
| 741 | M | 86.2 | Confident | 90.8 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 61% | 0.611 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -69 | 151.4 | -177.8 | -61.8 | -169.3 | -57.8 | 0 | 0 | 113.6 | D743 A744 | M741-D743 PolarHBondContact O-N 3.16Å; M741-A744 WeakPolarHBondContact O-CB 3.12Å; M741-A744 PolarHBondContact O-N 2.63Å; M741-A744 VanDerWaalsContact O-N 3.09Å |
| 742 | E | 78.4 | Confident | 90.6 | Very high | 161 Ų | 161 | 41.4 Ų | 41.4 | 75% | 0.752 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -96.1 | -179.4 | -57.4 | -171 | 161.3 | 0 | 0 | 115.2 | ||
| 743 | D | 81.7 | Confident | 90.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 5.6 | -175.9 | -73.2 | 21.6 | 0 | 0 | 0 | 110.6 | M741 G885 I886 R918 | M741-D743 PolarHBondContact O-N 3.16Å; D743-G885 CarbonylContact O-C 3.57Å; D743-G885 WeakPolarHBondContact O-CA 3.48Å; D743-I886 PolarHBondContact O-N 3.48Å; D743-R918 VanDerWaalsContact CG-NH2 3.32Å; D743-R918 IonicContact OD1-CZ 3.75Å; D743-R918 IonicContact OD1-NH2 3.74Å; D743-R918 PolarHBondContact OD1-NH2 3Å; D743-R918 IonicContact OD2-NH2 3.88Å |
| 744 | A | 90.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 150 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y739 M741 I886 | Y739-A744 WeakPolarHBondContact O-CB 3.38Å; M741-A744 WeakPolarHBondContact O-CB 3.12Å; M741-A744 PolarHBondContact O-N 2.63Å; M741-A744 VanDerWaalsContact O-N 3.09Å; A744-I886 CarbonylContact C-O 3.39Å; A744-I886 WeakPolarHBondContact CA-O 3.28Å |
| 745 | M | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.4 | 169.7 | 63.1 | 178.9 | 56.6 | 0 | 0 | 109.1 | Y877 I886 N887 S888 L908 Y994 | M745-Y877 HydrophobicContact SD-CD2 4.05Å; M745-Y877 HydrophobicContact SD-CG 4.11Å; M745-I886 PolarHBondContact N-O 3.11Å; M745-N887 WeakPolarHBondContact O-CA 3.39Å; M745-S888 PolarHBondContact O-N 3.31Å; M745-S888 PolarHBondContact O-OG 3.24Å; M745-L908 HydrophobicContact CG-CD2 4.47Å; M745-L908 HydrophobicContact SD-CD2 3.77Å; M745-Y994 HydrophobicContact CE-CE1 3.64Å; M745-Y994 HydrophobicContact SD-CE1 4.29Å |
| 746 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.4 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | T737 D740 L889 I891 L908 I909 | T737-V746 HydrophobicContact CG2-CG1 4.3Å; T737-V746 HydrophobicContact CG2-CG2 4.1Å; T737-V746 WeakPolarHBondContact OG1-CG2 3.02Å; D740-V746 HydrophobicContact CB-CG2 4.26Å; V746-L889 WeakPolarHBondContact CG1-O 3.49Å; V746-L889 HydrophobicContact CG2-CB 4.38Å; V746-I891 HydrophobicContact CG1-CB 3.86Å; V746-I891 HydrophobicContact CG1-CG2 3.38Å; V746-L908 VanDerWaalsContact O-CA 3.32Å; V746-L908 WeakPolarHBondContact O-CA 3.44Å; V746-I909 HydrophobicContact CB-CB 4.34Å; V746-I909 PolarHBondContact N-O 2.9Å; V746-I909 PolarHBondContact O-N 2.88Å |
| 747 | I | 94.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.1 | 177.6 | -68.8 | 173.8 | 0 | 0 | 0 | 109.3 | K749 L756 Y877 N887 L889 L890 I891 D907 L908 | I747-K749 PolarHBondContact O-N 2.75Å; I747-L756 HydrophobicContact CG2-CD2 4.08Å; I747-Y877 HydrophobicContact CD1-CD2 4.23Å; I747-Y877 HydrophobicContact CD1-CE2 3.74Å; I747-N887 HydrophobicContact CD1-CB 3.97Å; I747-L889 PolarHBondContact N-O 3.44Å; I747-L890 HydrophobicContact CB-CD2 3.88Å; I747-L890 HydrophobicContact CG2-CD2 3.95Å; I747-I891 PolarHBondContact O-N 3.49Å; I747-D907 WeakPolarHBondContact CA-O 3.41Å; I747-L908 HydrophobicContact CD1-CD2 4.25Å; I747-L908 HydrophobicContact CG1-CD2 3.47Å; I747-L908 VanDerWaalsContact CG1-CD2 3.47Å |
| 748 | N | 94.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.2 | 170.7 | -174.6 | -14.1 | 0 | 0 | 0 | 110.5 | A750 S751 Y752 M896 I905 P906 D907 | N748-A750 VanDerWaalsContact C-N 3.28Å; N748-A750 PolarHBondContact O-N 2.85Å; N748-A750 PolarHBondContact OD1-N 2.8Å; N748-S751 PolarHBondContact O-N 2.95Å; N748-S751 VanDerWaalsContact O-N 3.16Å; N748-Y752 PolarHBondContact O-N 3.43Å; N748-M896 HydrophobicContact CB-CE 4.05Å; N748-I905 WeakPolarHBondContact ND2-CG2 3.15Å; N748-P906 PolarHBondContact ND2-O 2.78Å; N748-D907 PolarHBondContact N-O 3.49Å |
| 749 | K | 94.8 | Very high | 91 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -34.2 | 178.8 | -171.6 | -173.3 | 167.2 | -162.4 | 0 | 112.8 | I747 S751 Y752 D753 L890 I891 | I747-K749 PolarHBondContact O-N 2.75Å; K749-S751 PolarHBondContact O-N 3.27Å; K749-Y752 HydrophobicContact CG-CD1 4.4Å; K749-Y752 VanDerWaalsContact O-CB 3.3Å; K749-Y752 WeakPolarHBondContact O-CB 3.49Å; K749-Y752 PolarHBondContact O-N 2.79Å; K749-D753 VanDerWaalsContact O-CG 3.3Å; K749-D753 PolarHBondContact O-N 2.94Å; K749-L890 HydrophobicContact CB-CB 4.37Å; K749-I891 WeakPolarHBondContact CB-O 3.46Å; K749-I891 PolarHBondContact N-O 3.33Å |
| 750 | A | 95.1 | Very high | 91.1 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N748 Y752 D753 R754 C893 | N748-A750 VanDerWaalsContact C-N 3.28Å; N748-A750 PolarHBondContact O-N 2.85Å; N748-A750 PolarHBondContact OD1-N 2.8Å; A750-Y752 VanDerWaalsContact C-N 3.33Å; A750-D753 PolarHBondContact O-N 3.49Å; A750-R754 WeakPolarHBondContact O-CB 3.31Å; A750-R754 WeakPolarHBondContact O-CD 3.34Å; A750-R754 WeakPolarHBondContact O-CG 3.17Å; A750-R754 PolarHBondContact O-N 3.08Å; A750-R754 VanDerWaalsContact O-N 3.09Å; A750-C893 HydrophobicContact CB-CB 3.65Å |
| 751 | S | 94.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | N748 K749 R754 G755 L756 D907 | N748-S751 PolarHBondContact O-N 2.95Å; N748-S751 VanDerWaalsContact O-N 3.16Å; K749-S751 PolarHBondContact O-N 3.27Å; S751-R754 PolarHBondContact O-N 2.82Å; S751-G755 PolarHBondContact O-N 2.85Å; S751-L756 WeakPolarHBondContact O-CB 3.42Å; S751-L756 PolarHBondContact O-N 3.28Å; S751-D907 WeakPolarHBondContact CB-OD1 3.16Å; S751-D907 PolarHBondContact OG-OD1 2.74Å |
| 752 | Y | 91.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 37 Ų | 37 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.8 | -51.2 | 171.5 | 164.2 | -96.5 | 0 | 0 | 0 | 112.8 | N748 K749 A750 R754 G755 Q870 P871 L890 | N748-Y752 PolarHBondContact O-N 3.43Å; K749-Y752 HydrophobicContact CG-CD1 4.4Å; K749-Y752 VanDerWaalsContact O-CB 3.3Å; K749-Y752 WeakPolarHBondContact O-CB 3.49Å; K749-Y752 PolarHBondContact O-N 2.79Å; A750-Y752 VanDerWaalsContact C-N 3.33Å; Y752-R754 PolarHBondContact O-N 3.46Å; Y752-G755 WeakPolarHBondContact O-CA 3.3Å; Y752-G755 PolarHBondContact O-N 3.4Å; Y752-Q870 HydrophobicContact CE2-CB 4.02Å; Y752-Q870 PolarHBondContact OH-OE1 3Å; Y752-P871 HydrophobicContact CD2-CB 3.67Å; Y752-P871 HydrophobicContact CD2-CG 3.81Å; Y752-P871 HydrophobicContact CE2-CB 3.77Å; Y752-P871 HydrophobicContact CE2-CG 4.01Å; Y752-P871 WeakPolarHBondContact CE2-O 3.42Å; Y752-L890 HydrophobicContact CD1-CD1 4.28Å; Y752-L890 HydrophobicContact CE1-CD1 4.37Å; Y752-L890 HydrophobicContact CG-CD1 4.35Å; Y752-L890 HydrophobicContact CG-CD2 4.34Å |
| 753 | D | 93.6 | Very high | 92.1 | Very high | 108 Ų | 108 | 31.4 Ų | 31.4 | 58% | 0.578 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -63.7 | -29.6 | -178.9 | -71 | -27.3 | 0 | 0 | 0 | 111.9 | K749 A750 G755 | K749-D753 VanDerWaalsContact O-CG 3.3Å; K749-D753 PolarHBondContact O-N 2.94Å; A750-D753 PolarHBondContact O-N 3.49Å; D753-G755 PolarHBondContact O-N 3.41Å |
| 754 | R | 94.6 | Very high | 92.5 | Very high | 207 Ų | 207 | 29.3 Ų | 29.3 | 78% | 0.781 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.1 | 172.8 | -68.2 | 167.7 | -171.2 | 171 | 3.1 | 113.8 | A750 S751 Y752 | A750-R754 WeakPolarHBondContact O-CB 3.31Å; A750-R754 WeakPolarHBondContact O-CD 3.34Å; A750-R754 WeakPolarHBondContact O-CG 3.17Å; A750-R754 PolarHBondContact O-N 3.08Å; A750-R754 VanDerWaalsContact O-N 3.09Å; S751-R754 PolarHBondContact O-N 2.82Å; Y752-R754 PolarHBondContact O-N 3.46Å |
| 755 | G | 91.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | 18.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S751 Y752 D753 A757 G758 | S751-G755 PolarHBondContact O-N 2.85Å; Y752-G755 WeakPolarHBondContact O-CA 3.3Å; Y752-G755 PolarHBondContact O-N 3.4Å; D753-G755 PolarHBondContact O-N 3.41Å; G755-A757 PolarHBondContact O-N 2.84Å; G755-G758 PolarHBondContact O-N 3.35Å; G755-G758 VanDerWaalsContact O-N 3.11Å |
| 756 | L | 92.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 126.1 | 174.1 | -176.6 | 72.1 | 0 | 0 | 0 | 110.1 | F727 I747 S751 G758 P871 D907 | F727-L756 HydrophobicContact CD2-CD1 3.57Å; F727-L756 HydrophobicContact CD2-CG 4.48Å; F727-L756 HydrophobicContact CE2-CD1 3.63Å; F727-L756 HydrophobicContact CE2-CD2 4.45Å; F727-L756 HydrophobicContact CE2-CG 4.12Å; F727-L756 HydrophobicContact CG-CD1 4.29Å; F727-L756 HydrophobicContact CZ-CD1 4.41Å; I747-L756 HydrophobicContact CG2-CD2 4.08Å; S751-L756 WeakPolarHBondContact O-CB 3.42Å; S751-L756 PolarHBondContact O-N 3.28Å; L756-G758 PolarHBondContact O-N 2.8Å; L756-P871 WeakPolarHBondContact O-CG 3.47Å; L756-D907 HydrophobicContact CD2-CB 4.4Å |
| 757 | A | 90.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 20.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | F727 G755 A759 P871 Y877 R996 | F727-A757 HydrophobicContact CD1-CB 4.06Å; F727-A757 HydrophobicContact CE1-CB 3.4Å; F727-A757 HydrophobicContact CZ-CB 3.81Å; G755-A757 PolarHBondContact O-N 2.84Å; A757-A759 PolarHBondContact O-N 2.79Å; A757-P871 HydrophobicContact CB-CG 4.22Å; A757-Y877 HydrophobicContact CB-CE1 3.79Å; A757-R996 VanDerWaalsContact O-CD 3.32Å; A757-R996 WeakPolarHBondContact O-CD 3.03Å; A757-R996 PolarHBondContact O-NH1 2.96Å |
| 758 | G | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | trans | -59.2 | 135 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L702 F703 G755 L756 | L702-G758 WeakPolarHBondContact CD1-O 3.22Å; F703-G758 WeakPolarHBondContact CB-O 3.18Å; F703-G758 WeakPolarHBondContact CD2-O 3.11Å; F703-G758 WeakPolarHBondContact CG-O 3.45Å; F703-G758 PolarHBondContact N-O 3.47Å; G755-G758 PolarHBondContact O-N 3.35Å; G755-G758 VanDerWaalsContact O-N 3.11Å; L756-G758 PolarHBondContact O-N 2.8Å | ||
| 759 | A | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M684 R701 L702 F703 A757 R869 | M684-A759 HydrophobicContact CE-CB 3.87Å; M684-A759 HydrophobicContact SD-CB 4.3Å; R701-A759 CarbonylContact O-C 3.44Å; R701-A759 WeakPolarHBondContact O-CA 3.47Å; R701-A759 VanDerWaalsContact O-CB 3.27Å; R701-A759 WeakPolarHBondContact O-CB 3.43Å; L702-A759 HydrophobicContact CD1-CB 4.32Å; F703-A759 WeakPolarHBondContact CZ-O 3.32Å; A757-A759 PolarHBondContact O-N 2.79Å; A759-R869 HydrophobicContact CB-CB 4.38Å; A759-R869 PolarHBondContact N-O 3.07Å; A759-R869 CarbonylContact O-C 3.49Å; A759-R869 WeakPolarHBondContact O-CA 3.42Å; A759-R869 PolarHBondContact O-N 3.2Å; A759-R869 VanDerWaalsContact O-O 3.11Å |
| 760 | C | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.6 | 164.1 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | R701 F703 Y762 R866 L867 | R701-C760 PolarHBondContact N-O 2.71Å; R701-C760 PolarHBondContact O-N 3.02Å; F703-C760 HydrophobicContact CE1-CB 3.72Å; F703-C760 HydrophobicContact CZ-CB 3.79Å; C760-Y762 WeakPolarHBondContact SG-CE2 3.48Å; C760-Y762 VanDerWaalsContact SG-CZ 3.53Å; C760-R866 HydrophobicContact CB-CG 4.23Å; C760-L867 CarbonylContact C-O 3.56Å; C760-L867 VanDerWaalsContact CA-O 3.31Å; C760-L867 WeakPolarHBondContact CA-O 3.42Å |
| 761 | I | 91.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.8 | 172.2 | -61.6 | -179.2 | 0 | 0 | 0 | 108 | A699 Y700 L867 R869 M1000 | A699-I761 CarbonylContact O-C 3.6Å; A699-I761 WeakPolarHBondContact O-CA 3.29Å; Y700-I761 HydrophobicContact CD1-CD1 3.85Å; Y700-I761 HydrophobicContact CD1-CG1 3.71Å; Y700-I761 HydrophobicContact CE1-CD1 3.55Å; Y700-I761 HydrophobicContact CE1-CG1 3.92Å; I761-L867 HydrophobicContact CB-CB 4.38Å; I761-L867 PolarHBondContact N-O 3.01Å; I761-L867 PolarHBondContact O-N 3.34Å; I761-R869 HydrophobicContact CD1-CG 4.1Å; I761-R869 HydrophobicContact CG1-CG 4Å; I761-M1000 HydrophobicContact CD1-CE 3.34Å; I761-M1000 HydrophobicContact CG1-CE 4.49Å |
| 762 | Y | 91.7 | Very high | 88.6 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.2 | 168.2 | -62.1 | -88.8 | 0 | 0 | 0 | 108.6 | W691 K698 A699 R701 C760 D850 T864 L865 R866 | W691-Y762 AromaticContact NE1-CE1 4Å; W691-Y762 AromaticContact NE1-CZ 3.71Å; K698-Y762 CarbonylContact C-O 3.59Å; K698-Y762 VanDerWaalsContact CA-O 3.28Å; K698-Y762 WeakPolarHBondContact CA-O 3.38Å; A699-Y762 PolarHBondContact N-O 2.87Å; A699-Y762 PolarHBondContact O-N 2.82Å; R701-Y762 HydrophobicContact CB-CD2 4.38Å; R701-Y762 HydrophobicContact CB-CE2 3.87Å; R701-Y762 HydrophobicContact CG-CE2 4.44Å; R701-Y762 PolarHBondContact NH1-OH 2.78Å; C760-Y762 WeakPolarHBondContact SG-CE2 3.48Å; C760-Y762 VanDerWaalsContact SG-CZ 3.53Å; Y762-D850 HydrophobicContact CD1-CB 4.44Å; Y762-D850 HydrophobicContact CE1-CB 4.41Å; Y762-D850 WeakPolarHBondContact CE1-OD2 3.37Å; Y762-T864 HydrophobicContact CD1-CG2 4.37Å; Y762-L865 CarbonylContact C-O 3.58Å; Y762-L865 VanDerWaalsContact CA-O 3.28Å; Y762-L865 WeakPolarHBondContact CA-O 3.34Å; Y762-R866 HydrophobicContact CD1-CB 4.14Å; Y762-R866 HydrophobicContact CD1-CG 4.35Å; Y762-R866 HydrophobicContact CE1-CB 4.02Å; Y762-R866 HydrophobicContact CE1-CG 3.89Å |
| 763 | K | 90.5 | Very high | 87.5 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.4 | 179.7 | -174.9 | -170 | 175.2 | -151 | 0 | 108.3 | A697 E765 L865 L867 | A697-K763 WeakPolarHBondContact O-CA 3.16Å; A697-K763 WeakPolarHBondContact O-CG 3.34Å; K763-E765 VanDerWaalsContact CE-OE1 3.27Å; K763-E765 WeakPolarHBondContact CE-OE1 3.46Å; K763-E765 IonicContact NZ-OE1 3.67Å; K763-E765 PolarHBondContact NZ-OE1 3.28Å; K763-L865 PolarHBondContact N-O 3.05Å; K763-L865 PolarHBondContact O-N 3.05Å; K763-L867 HydrophobicContact CB-CD1 3.94Å |
| 764 | S | 89.6 | Confident | 85.8 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.6 | 176.7 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | D696 I863 T864 | D696-S764 WeakPolarHBondContact O-CB 3.43Å; D696-S764 PolarHBondContact O-N 2.94Å; D696-S764 PolarHBondContact O-OG 3.43Å; S764-I863 CarbonylContact C-O 3.53Å; S764-I863 WeakPolarHBondContact CA-O 3.45Å; S764-T864 PolarHBondContact OG-OG1 3.47Å |
| 765 | E | 87.9 | Confident | 83.6 | Confident | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.4 | 172.4 | -65.4 | -171.8 | 175.9 | 0 | 0 | 108.7 | K763 T862 I863 | K763-E765 VanDerWaalsContact CE-OE1 3.27Å; K763-E765 WeakPolarHBondContact CE-OE1 3.46Å; K763-E765 IonicContact NZ-OE1 3.67Å; K763-E765 PolarHBondContact NZ-OE1 3.28Å; E765-T862 WeakPolarHBondContact O-CA 3.42Å; E765-I863 PolarHBondContact N-O 3.21Å; E765-I863 PolarHBondContact O-N 3.48Å |
| 766 | V | 86.2 | Confident | 81.1 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.1 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | T862 | V766-T862 HydrophobicContact CG2-CG2 4.14Å |
| 767 | I | 87.6 | Confident | 78.5 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.7 | -179.8 | -55.4 | 159.3 | 0 | 0 | 0 | 107.5 | L769 F794 Y825 C860 A861 I863 | I767-L769 HydrophobicContact CG2-CD2 4.2Å; I767-F794 HydrophobicContact CB-CE1 4.42Å; I767-F794 HydrophobicContact CB-CZ 3.95Å; I767-F794 HydrophobicContact CG2-CE1 3.86Å; I767-F794 HydrophobicContact CG2-CZ 3.64Å; I767-Y825 HydrophobicContact CD1-CD1 3.43Å; I767-Y825 VanDerWaalsContact CD1-CD1 3.43Å; I767-Y825 HydrophobicContact CD1-CE1 3.47Å; I767-Y825 VanDerWaalsContact CD1-CE1 3.47Å; I767-Y825 HydrophobicContact CD1-CG 3.98Å; I767-Y825 HydrophobicContact CG1-CE1 4.14Å; I767-Y825 HydrophobicContact CG2-CE1 4.37Å; I767-Y825 HydrophobicContact CG2-CE2 3.95Å; I767-C860 CarbonylContact O-C 3.49Å; I767-C860 VanDerWaalsContact O-CA 3.27Å; I767-C860 WeakPolarHBondContact O-CA 3.21Å; I767-A861 PolarHBondContact N-O 3.48Å; I767-A861 PolarHBondContact O-N 2.78Å; I767-I863 HydrophobicContact CD1-CD1 3.51Å; I767-I863 HydrophobicContact CD1-CG1 4.02Å |
| 768 | D | 86 | Confident | 75.9 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 105.1 | 177.4 | 179.8 | 6.1 | 0 | 0 | 0 | 109.9 | S770 S771 | D768-S770 PolarHBondContact O-N 3.2Å; D768-S770 WeakPolarHBondContact OD1-CB 3.43Å; D768-S770 PolarHBondContact OD1-N 2.68Å; D768-S770 PolarHBondContact OD1-OG 3.47Å; D768-S770 PolarHBondContact OD2-OG 2.71Å; D768-S771 PolarHBondContact O-N 3.31Å; D768-S771 PolarHBondContact O-OG 3.26Å |
| 769 | L | 86 | Confident | 73.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.8 | -14.2 | -178.6 | -57.9 | 176.7 | 0 | 0 | 0 | 112.4 | I767 S771 L772 F794 Y827 S859 | I767-L769 HydrophobicContact CG2-CD2 4.2Å; L769-S771 PolarHBondContact O-N 3.08Å; L769-S771 VanDerWaalsContact O-N 3.15Å; L769-L772 HydrophobicContact CD2-CD1 3.98Å; L769-L772 PolarHBondContact O-N 3.1Å; L769-F794 HydrophobicContact CD1-CD1 3.86Å; L769-F794 HydrophobicContact CD1-CD2 4.04Å; L769-F794 HydrophobicContact CD1-CE1 3.73Å; L769-F794 HydrophobicContact CD1-CE2 3.9Å; L769-F794 HydrophobicContact CD1-CG 4.01Å; L769-F794 HydrophobicContact CD1-CZ 3.75Å; L769-F794 HydrophobicContact CD2-CE1 4.07Å; L769-F794 HydrophobicContact CD2-CZ 4.2Å; L769-F794 HydrophobicContact CG-CE1 3.92Å; L769-F794 HydrophobicContact CG-CE2 4.12Å; L769-F794 HydrophobicContact CG-CZ 3.68Å; L769-Y827 HydrophobicContact CD1-CG 4.35Å; L769-Y827 HydrophobicContact CD2-CD1 4.16Å; L769-Y827 HydrophobicContact CD2-CD2 4.2Å; L769-Y827 HydrophobicContact CD2-CG 3.86Å; L769-S859 WeakPolarHBondContact CB-O 3.33Å; L769-S859 PolarHBondContact N-O 3.39Å |
| 770 | S | 80.5 | Confident | 71 | Confident | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -64.2 | -17.8 | 174.6 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | D768 L772 S773 | D768-S770 PolarHBondContact O-N 3.2Å; D768-S770 WeakPolarHBondContact OD1-CB 3.43Å; D768-S770 PolarHBondContact OD1-N 2.68Å; D768-S770 PolarHBondContact OD1-OG 3.47Å; D768-S770 PolarHBondContact OD2-OG 2.71Å; S770-L772 VanDerWaalsContact C-N 3.31Å; S770-S773 PolarHBondContact O-OG 3.07Å |
| 771 | S | 75.8 | Confident | 68.7 | Low | 98 Ų | 98 | 72.3 Ų | 72.3 | 69% | 0.685 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -72 | -20.9 | 172.2 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | D768 L769 | D768-S771 PolarHBondContact O-N 3.31Å; D768-S771 PolarHBondContact O-OG 3.26Å; L769-S771 PolarHBondContact O-N 3.08Å; L769-S771 VanDerWaalsContact O-N 3.15Å |
| 772 | L | 75.8 | Confident | 66.4 | Low | 73 Ų | 73 | 78.4 Ų | 78.4 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -22.2 | -178.5 | -74.4 | 108.2 | 0 | 0 | 0 | 113.3 | L769 S770 Y792 Y827 | L769-L772 HydrophobicContact CD2-CD1 3.98Å; L769-L772 PolarHBondContact O-N 3.1Å; S770-L772 VanDerWaalsContact C-N 3.31Å; L772-Y792 HydrophobicContact CB-CD2 4.03Å; L772-Y792 HydrophobicContact CB-CE2 3.89Å; L772-Y827 HydrophobicContact CD2-CE2 4.21Å |
| 773 | S | 70 | Confident | 64 | Low | 20 Ų | 20 | 84.8 Ų | 84.8 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -64 | 136.2 | 174.6 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | S770 S775 E791 | S770-S773 PolarHBondContact O-OG 3.07Å; S773-S775 PolarHBondContact O-N 3.14Å; S773-E791 WeakPolarHBondContact CA-OE2 3.35Å |
| 774 | K | 57.2 | Low | 61.3 | Low | 178 Ų | 178 | 92.5 Ų | 92.5 | 77% | 0.774 | 51% | 0.514 | S | S | * | . | trans | -56.1 | 117.2 | -173 | -81.8 | 178.3 | -179 | 169.2 | 0 | 110.6 | T776 | K774-T776 PolarHBondContact O-N 3.38Å; K774-T776 PolarHBondContact O-OG1 3.32Å | ||
| 775 | S | 48.1 | Very low | 58.8 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | trans | -67.8 | 79.1 | 172.4 | -170.1 | 0 | 0 | 0 | 0 | 110 | S773 S777 | S773-S775 PolarHBondContact O-N 3.14Å; S775-S777 PolarHBondContact O-N 2.85Å | ||
| 776 | T | 40.1 | Very low | 56.5 | Low | 126 Ų | 126 | 108.5 Ų | 108.5 | 77% | 0.773 | 57% | 0.574 | S | S | * | * | trans | -78.7 | 98.8 | 167.5 | -26.4 | 0 | 0 | 0 | 0 | 107.7 | K774 | K774-T776 PolarHBondContact O-N 3.38Å; K774-T776 PolarHBondContact O-OG1 3.32Å | ||
| 777 | S | 35.8 | Very low | 54.5 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 80% | 0.797 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 62.1 | 97.5 | 162.3 | -69.8 | 0 | 0 | 0 | 0 | 119.2 | S775 | S775-S777 PolarHBondContact O-N 2.85Š|
| 778 | S | 38.1 | Very low | 52.6 | Low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 62% | 0.62 | S | S | . | * | -176.3 | 138.7 | 101 | 88.9 | 0 | 0 | 0 | 0 | 110.9 | N780 | S778-N780 PolarHBondContact O-N 3Å; S778-N780 PolarHBondContact OG-N 3.01Å | |||
| 779 | N | 37.4 | Very low | 51.2 | Low | 176 Ų | 176 | 119.9 Ų | 119.9 | 94% | 0.941 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -70 | 29.4 | 174 | -94.2 | -18.2 | 0 | 0 | 0 | 113.8 | ||
| 780 | N | 42.5 | Very low | 50.1 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 56% | 0.556 | 65% | 0.647 | S | S | * | * | trans | -126.5 | 104.8 | 179 | -108.5 | -18.6 | 0 | 0 | 0 | 110.7 | S778 F782 | S778-N780 PolarHBondContact O-N 3Å; S778-N780 PolarHBondContact OG-N 3.01Å; N780-F782 PolarHBondContact O-N 2.84Å | ||
| 781 | P | 43.9 | Very low | 50.1 | Low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 11.1 | -178.4 | 24.6 | -30.7 | 0 | 0 | 0 | 115.2 | ||
| 782 | F | 43.9 | Very low | 50.5 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 2.4 | -170.1 | -71 | -69.3 | 0 | 0 | 0 | 116.4 | T392 N780 | T392-F782 HydrophobicContact CG2-CD1 3.38Å; T392-F782 HydrophobicContact CG2-CD2 4.4Å; T392-F782 HydrophobicContact CG2-CE1 3.1Å; T392-F782 HydrophobicContact CG2-CE2 4.16Å; T392-F782 HydrophobicContact CG2-CG 4.04Å; T392-F782 HydrophobicContact CG2-CZ 3.52Å; N780-F782 PolarHBondContact O-N 2.84Å |
| 783 | Q | 40.4 | Very low | 51 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -79.7 | 125 | 166.3 | -92.6 | -177.6 | -12.4 | 0 | 0 | 109.3 | K785 | Q783-K785 PolarHBondContact O-N 3.22Š|
| 784 | K | 34 | Very low | 51.8 | Low | 206 Ų | 206 | 118.7 Ų | 118.7 | 90% | 0.896 | 61% | 0.614 | S | S | * | * | trans | -39.1 | 108.1 | 176.8 | -80.6 | 177.7 | 173.8 | 178.2 | 0 | 109.8 | R786 | K784-R786 VanDerWaalsContact C-N 3.33Å; K784-R786 PolarHBondContact O-N 3.03Å | ||
| 785 | K | 38.8 | Very low | 53.1 | Low | 177 Ų | 177 | 110.3 Ų | 110.3 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | trans | -54.5 | 104.2 | 163 | -75.8 | -177.6 | 176 | -175.4 | 0 | 105.7 | Q783 L787 | Q783-K785 PolarHBondContact O-N 3.22Å; K785-L787 PolarHBondContact O-N 3.49Å | ||
| 786 | R | 38 | Very low | 54.7 | Low | 229 Ų | 229 | 106.2 Ų | 106.2 | 86% | 0.864 | 55% | 0.545 | S | S | * | . | trans | -46.7 | 128.8 | 150.8 | -129 | 175.6 | 176.8 | 171 | -2.6 | 104.3 | K784 V788 | K784-R786 VanDerWaalsContact C-N 3.33Å; K784-R786 PolarHBondContact O-N 3.03Å; R786-V788 WeakPolarHBondContact O-CG2 3.08Å; R786-V788 PolarHBondContact O-N 3.36Å | ||
| 787 | L | 45 | Very low | 56.1 | Low | 176 Ų | 176 | 102.5 Ų | 102.5 | 92% | 0.921 | 53% | 0.527 | S | S | * | . | trans | -50.4 | 94 | 178.9 | -83.3 | 114.9 | 0 | 0 | 0 | 108.6 | K785 T789 | K785-L787 PolarHBondContact O-N 3.49Å; L787-T789 VanDerWaalsContact C-N 3.35Å; L787-T789 PolarHBondContact O-N 3.38Å; L787-T789 VanDerWaalsContact O-N 3.13Å | ||
| 788 | V | 48 | Very low | 57.6 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 62% | 0.624 | 52% | 0.516 | S | S | * | . | trans | -74.8 | 103.8 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 102 | R786 S790 | R786-V788 WeakPolarHBondContact O-CG2 3.08Å; R786-V788 PolarHBondContact O-N 3.36Å; V788-S790 PolarHBondContact O-N 3.2Å | ||
| 789 | T | 55.7 | Low | 58.6 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | trans | -47.4 | 113.2 | 164.3 | 39.2 | 0 | 0 | 0 | 0 | 106.4 | L787 E791 | L787-T789 VanDerWaalsContact C-N 3.35Å; L787-T789 PolarHBondContact O-N 3.38Å; L787-T789 VanDerWaalsContact O-N 3.13Å; T789-E791 PolarHBondContact O-N 3.22Å | ||
| 790 | S | 63.4 | Low | 59.6 | Low | 22 Ų | 22 | 106 Ų | 106 | 15% | 0.154 | 53% | 0.529 | C | S | . | . | trans | -52.9 | 132.5 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | V788 Y792 S859 | V788-S790 PolarHBondContact O-N 3.2Å; S790-Y792 PolarHBondContact O-N 3.27Å; S790-Y792 PolarHBondContact OG-N 3.4Å; S790-Y792 PolarHBondContact OG-O 3.32Å; S790-Y792 VanDerWaalsContact OG-O 3.11Å; S790-S859 VanDerWaalsContact CB-CB 3.49Å | ||
| 791 | E | 80.2 | Confident | 60.6 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 27% | 0.271 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -64.2 | -6.3 | 174 | -65.7 | 169.2 | 168.8 | 0 | 0 | 111.9 | S773 T789 H829 S830 | S773-E791 WeakPolarHBondContact CA-OE2 3.35Å; T789-E791 PolarHBondContact O-N 3.22Å; E791-H829 CarbonylContact O-C 3.43Å; E791-H829 WeakPolarHBondContact O-CA 3.16Å; E791-S830 WeakPolarHBondContact O-CB 3.3Å; E791-S830 PolarHBondContact O-N 2.86Å; E791-S830 PolarHBondContact O-OG 3.06Å; E791-S830 VanDerWaalsContact O-OG 3.09Å |
| 792 | Y | 84.1 | Confident | 61.6 | Low | 40 Ų | 40 | 101.7 Ų | 101.7 | 16% | 0.157 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.4 | -175.9 | -60 | -87.1 | 0 | 0 | 0 | 111.3 | L772 S790 Y827 T828 H829 | L772-Y792 HydrophobicContact CB-CD2 4.03Å; L772-Y792 HydrophobicContact CB-CE2 3.89Å; S790-Y792 PolarHBondContact O-N 3.27Å; S790-Y792 PolarHBondContact OG-N 3.4Å; S790-Y792 PolarHBondContact OG-O 3.32Å; S790-Y792 VanDerWaalsContact OG-O 3.11Å; Y792-Y827 AromaticContact CD1-CD2 3.62Å; Y792-Y827 HydrophobicContact CD1-CD2 3.62Å; Y792-Y827 AromaticContact CD1-CE2 3.76Å; Y792-Y827 HydrophobicContact CD1-CE2 3.76Å; Y792-Y827 HydrophobicContact CE1-CD2 4.29Å; Y792-Y827 AromaticContact CE1-CE2 3.98Å; Y792-Y827 HydrophobicContact CE1-CE2 3.98Å; Y792-Y827 HydrophobicContact CG-CD2 4.2Å; Y792-Y827 HydrophobicContact CG-CE2 4.46Å; Y792-T828 VanDerWaalsContact CA-O 3.3Å; Y792-T828 WeakPolarHBondContact CA-O 3.27Å; Y792-H829 HydrophobicContact CD1-CB 3.92Å; Y792-H829 HydrophobicContact CE1-CB 3.7Å; Y792-H829 AromaticContact CE1-CD2 3.5Å; Y792-H829 AromaticContact CE1-CG 3.93Å; Y792-H829 AromaticContact CZ-CD2 3.46Å; Y792-H829 VanDerWaalsContact CZ-CD2 3.46Å; Y792-H829 PolarHBondContact OH-CD2 3.12Å |
| 793 | Y | 87.5 | Confident | 62.8 | Low | 76 Ų | 76 | 105.2 Ų | 105.2 | 30% | 0.298 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.7 | 173.1 | 67 | -82.5 | 0 | 0 | 0 | 110.4 | Y827 T828 W858 | Y793-Y827 CarbonylContact O-C 3.59Å; Y793-Y827 WeakPolarHBondContact O-CA 3.35Å; Y793-T828 HydrophobicContact CE1-CG2 4.21Å; Y793-T828 PolarHBondContact N-O 2.85Å; Y793-T828 PolarHBondContact O-N 2.79Å; Y793-W858 WeakPolarHBondContact CA-O 3.44Å |
| 794 | F | 86.5 | Confident | 64.7 | Low | 2 Ų | 2 | 100.5 Ų | 100.5 | 1% | 0.009 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.1 | 172.4 | -63.1 | -72.9 | 0 | 0 | 0 | 110.4 | I767 L769 D808 F810 Y825 W858 A861 | I767-F794 HydrophobicContact CB-CE1 4.42Å; I767-F794 HydrophobicContact CB-CZ 3.95Å; I767-F794 HydrophobicContact CG2-CE1 3.86Å; I767-F794 HydrophobicContact CG2-CZ 3.64Å; L769-F794 HydrophobicContact CD1-CD1 3.86Å; L769-F794 HydrophobicContact CD1-CD2 4.04Å; L769-F794 HydrophobicContact CD1-CE1 3.73Å; L769-F794 HydrophobicContact CD1-CE2 3.9Å; L769-F794 HydrophobicContact CD1-CG 4.01Å; L769-F794 HydrophobicContact CD1-CZ 3.75Å; L769-F794 HydrophobicContact CD2-CE1 4.07Å; L769-F794 HydrophobicContact CD2-CZ 4.2Å; L769-F794 HydrophobicContact CG-CE1 3.92Å; L769-F794 HydrophobicContact CG-CE2 4.12Å; L769-F794 HydrophobicContact CG-CZ 3.68Å; F794-D808 CarbonylContact C-O 3.21Å; F794-F810 HydrophobicContact CB-CE2 3.69Å; F794-F810 HydrophobicContact CB-CZ 3.72Å; F794-F810 AromaticContact CD1-CE1 3.89Å; F794-F810 HydrophobicContact CD1-CE1 3.89Å; F794-F810 HydrophobicContact CD1-CE2 4.33Å; F794-F810 AromaticContact CD1-CZ 3.49Å; F794-F810 HydrophobicContact CD1-CZ 3.49Å; F794-F810 VanDerWaalsContact CD1-CZ 3.49Å; F794-F810 HydrophobicContact CD2-CE2 4.27Å; F794-F810 AromaticContact CD2-CZ 3.68Å; F794-F810 HydrophobicContact CD2-CZ 3.68Å; F794-F810 HydrophobicContact CE1-CE1 4.11Å; F794-F810 AromaticContact CE1-CZ 3.95Å; F794-F810 HydrophobicContact CE1-CZ 3.95Å; F794-F810 HydrophobicContact CE2-CZ 4.13Å; F794-F810 HydrophobicContact CG-CE1 4.21Å; F794-F810 AromaticContact CG-CE2 3.87Å; F794-F810 HydrophobicContact CG-CE2 3.87Å; F794-F810 AromaticContact CG-CZ 3.34Å; F794-F810 HydrophobicContact CG-CZ 3.34Å; F794-F810 HydrophobicContact CZ-CZ 4.26Å; F794-Y825 HydrophobicContact CD1-CD2 4.12Å; F794-Y825 AromaticContact CE1-CD2 3.74Å; F794-Y825 HydrophobicContact CE1-CD2 3.74Å; F794-Y825 HydrophobicContact CE1-CE2 4.18Å; F794-Y825 HydrophobicContact CE1-CG 4.37Å; F794-W858 WeakPolarHBondContact CD2-O 3.36Å; F794-W858 PolarHBondContact N-O 3.18Å; F794-A861 HydrophobicContact CD2-CB 4Å; F794-A861 HydrophobicContact CE2-CB 3.48Å; F794-A861 VanDerWaalsContact CE2-CB 3.48Å; F794-A861 HydrophobicContact CZ-CB 3.84Å |
| 795 | G | 84.8 | Confident | 67.2 | Low | 3 Ų | 3 | 91 Ų | 91 | 3% | 0.031 | 47% | 0.468 | C | S | . | . | S | Bend | trans | 135.6 | -163.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | D808 A826 T828 | G795-D808 PolarHBondContact N-O 3.28Å; G795-A826 PolarHBondContact N-O 2.87Å; G795-T828 PolarHBondContact O-OG1 2.96Å |
| 796 | F | 80 | Confident | 69.5 | Low | 32 Ų | 32 | 86.3 Ų | 86.3 | 14% | 0.14 | 45% | 0.451 | C | S | . | . | trans | -129.1 | 146 | -178.5 | -56.7 | -80.5 | 0 | 0 | 0 | 110.9 | P801 L805 D806 A826 T835 F837 | F796-P801 HydrophobicContact CD2-CB 4.31Å; F796-P801 HydrophobicContact CE2-CB 3.73Å; F796-P801 HydrophobicContact CZ-CB 3.98Å; F796-L805 HydrophobicContact CE2-CB 4.35Å; F796-L805 HydrophobicContact CZ-CB 4.03Å; F796-L805 HydrophobicContact CZ-CD1 3.8Å; F796-D806 VanDerWaalsContact CE2-O 3.27Å; F796-D806 WeakPolarHBondContact CE2-O 3.18Å; F796-A826 HydrophobicContact CD1-CB 4.46Å; F796-A826 HydrophobicContact CE1-CB 3.56Å; F796-A826 HydrophobicContact CZ-CB 3.66Å; F796-T835 HydrophobicContact CD1-CG2 3.84Å; F796-T835 HydrophobicContact CE1-CG2 4.12Å; F796-F837 HydrophobicContact CD1-CE1 4.47Å; F796-F837 HydrophobicContact CD1-CZ 4.35Å; F796-F837 HydrophobicContact CE1-CD1 4.41Å; F796-F837 AromaticContact CE1-CE1 3.49Å; F796-F837 HydrophobicContact CE1-CE1 3.49Å; F796-F837 VanDerWaalsContact CE1-CE1 3.49Å; F796-F837 AromaticContact CE1-CZ 3.77Å; F796-F837 HydrophobicContact CE1-CZ 3.77Å; F796-F837 HydrophobicContact CZ-CE1 4.2Å | ||
| 797 | A | 70.7 | Confident | 71.6 | Confident | 48 Ų | 48 | 82 Ų | 82 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -83.8 | -4.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T828 L833 | A797-T828 HydrophobicContact CB-CG2 3.85Å; A797-L833 HydrophobicContact CB-CB 3.8Å; A797-L833 HydrophobicContact CB-CD2 3.85Å; A797-L833 HydrophobicContact CB-CG 4.28Å |
| 798 | G | 67.8 | Low | 73.6 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 56% | 0.557 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -147.4 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K800 | G798-K800 PolarHBondContact O-N 2.98Š|
| 799 | E | 57.2 | Low | 75.4 | Confident | 194 Ų | 194 | 71.6 Ų | 71.6 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -85.7 | 89.4 | -176.8 | -70.7 | -173.8 | 169 | 0 | 0 | 112.4 | ||
| 800 | K | 59.7 | Low | 77.1 | Confident | 186 Ų | 186 | 65.6 Ų | 65.6 | 81% | 0.809 | 35% | 0.349 | S | S | * | . | trans | 162.2 | 111.8 | 139.4 | -90.3 | 164.6 | -172.5 | 178 | 0 | 109 | G798 | G798-K800 PolarHBondContact O-N 2.98Š| ||
| 801 | P | 64.1 | Low | 78.5 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | trans | -66.2 | 147.6 | 169.1 | 28.3 | -32.1 | 0 | 0 | 0 | 110 | F796 L805 | F796-P801 HydrophobicContact CD2-CB 4.31Å; F796-P801 HydrophobicContact CE2-CB 3.73Å; F796-P801 HydrophobicContact CZ-CB 3.98Å; P801-L805 HydrophobicContact CB-CB 4.34Å; P801-L805 WeakPolarHBondContact CB-O 3.19Å; P801-L805 VanDerWaalsContact CG-O 3.31Å; P801-L805 WeakPolarHBondContact CG-O 3.3Å | ||
| 802 | D | 64.5 | Low | 79.1 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -62.7 | 153.1 | 169.9 | -157.5 | 5.7 | 0 | 0 | 0 | 109.9 | G804 L805 W823 F837 | D802-G804 PolarHBondContact O-N 3.48Å; D802-L805 PolarHBondContact O-N 2.8Å; D802-W823 PolarHBondContact OD2-NE1 3.49Å; D802-F837 HydrophobicContact CB-CE1 4.25Å | ||
| 803 | K | 69.7 | Low | 79.5 | Confident | 206 Ų | 206 | 67.2 Ų | 67.2 | 90% | 0.896 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 98 | -171.3 | -72.7 | -178.4 | -179.6 | 178 | 0 | 111.1 | ||
| 804 | G | 79.6 | Confident | 79.7 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 134.6 | -3.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | D802 P811 P812 | D802-G804 PolarHBondContact O-N 3.48Å; G804-P811 WeakPolarHBondContact O-CA 3.5Å; G804-P812 WeakPolarHBondContact O-CD 3.41Å |
| 805 | L | 85.9 | Confident | 80 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | trans | -114.4 | 146.7 | 172.2 | -62.9 | 175.3 | 0 | 0 | 0 | 111 | F796 P801 D802 F810 P811 W823 A826 F837 | F796-L805 HydrophobicContact CE2-CB 4.35Å; F796-L805 HydrophobicContact CZ-CB 4.03Å; F796-L805 HydrophobicContact CZ-CD1 3.8Å; P801-L805 HydrophobicContact CB-CB 4.34Å; P801-L805 WeakPolarHBondContact CB-O 3.19Å; P801-L805 VanDerWaalsContact CG-O 3.31Å; P801-L805 WeakPolarHBondContact CG-O 3.3Å; D802-L805 PolarHBondContact O-N 2.8Å; L805-F810 CarbonylContact C-O 3.55Å; L805-F810 WeakPolarHBondContact CA-O 3.44Å; L805-F810 VanDerWaalsContact CD2-C 3.5Å; L805-P811 HydrophobicContact CD2-CB 4.22Å; L805-P811 HydrophobicContact CD2-CG 4.45Å; L805-W823 HydrophobicContact CD1-CB 3.78Å; L805-W823 HydrophobicContact CD1-CG 4.23Å; L805-W823 HydrophobicContact CD2-CB 3.83Å; L805-W823 HydrophobicContact CG-CB 3.8Å; L805-W823 HydrophobicContact CG-CG 4.45Å; L805-A826 HydrophobicContact CD1-CB 3.88Å; L805-F837 HydrophobicContact CD1-CD1 4.1Å; L805-F837 HydrophobicContact CD1-CE1 4.35Å | ||
| 806 | D | 86.6 | Confident | 80.5 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | trans | -85.4 | 169.8 | 170.5 | -71.6 | -21.6 | 0 | 0 | 0 | 110.5 | F796 D808 G809 F810 | F796-D806 VanDerWaalsContact CE2-O 3.27Å; F796-D806 WeakPolarHBondContact CE2-O 3.18Å; D806-D808 WeakPolarHBondContact CB-OD1 3.43Å; D806-D808 PolarHBondContact O-N 3.16Å; D806-D808 VanDerWaalsContact O-N 3.07Å; D806-G809 PolarHBondContact O-N 3.06Å; D806-F810 PolarHBondContact N-O 3.28Å | ||
| 807 | L | 83.7 | Confident | 81 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 73% | 0.728 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.2 | -175 | -67.6 | 171.7 | 0 | 0 | 0 | 114.4 | G809 | L807-G809 PolarHBondContact O-N 3.01Š|
| 808 | D | 85.6 | Confident | 82 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 32% | 0.316 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -1.7 | 177 | 61.9 | 1.6 | 0 | 0 | 0 | 113.4 | F794 G795 D806 F810 W858 | F794-D808 CarbonylContact C-O 3.21Å; G795-D808 PolarHBondContact N-O 3.28Å; D806-D808 WeakPolarHBondContact CB-OD1 3.43Å; D806-D808 PolarHBondContact O-N 3.16Å; D806-D808 VanDerWaalsContact O-N 3.07Å; D808-F810 HydrophobicContact CB-CD2 4.24Å; D808-F810 WeakPolarHBondContact O-CD2 3.46Å; D808-F810 PolarHBondContact OD1-N 3.03Å; D808-W858 HydrophobicContact CB-CZ3 4.33Å |
| 809 | G | 87.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 85 | 9.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D806 L807 Y825 A826 | D806-G809 PolarHBondContact O-N 3.06Å; L807-G809 PolarHBondContact O-N 3.01Å; G809-Y825 CarbonylContact O-C 3.58Å; G809-Y825 WeakPolarHBondContact O-CA 3.49Å; G809-A826 PolarHBondContact O-N 3.28Å |
| 810 | F | 91.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -115 | 155.3 | 178.6 | -62.2 | -73.8 | 0 | 0 | 0 | 112.6 | F794 L805 D806 D808 I852 L854 A861 I863 | F794-F810 HydrophobicContact CB-CE2 3.69Å; F794-F810 HydrophobicContact CB-CZ 3.72Å; F794-F810 AromaticContact CD1-CE1 3.89Å; F794-F810 HydrophobicContact CD1-CE1 3.89Å; F794-F810 HydrophobicContact CD1-CE2 4.33Å; F794-F810 AromaticContact CD1-CZ 3.49Å; F794-F810 HydrophobicContact CD1-CZ 3.49Å; F794-F810 VanDerWaalsContact CD1-CZ 3.49Å; F794-F810 HydrophobicContact CD2-CE2 4.27Å; F794-F810 AromaticContact CD2-CZ 3.68Å; F794-F810 HydrophobicContact CD2-CZ 3.68Å; F794-F810 HydrophobicContact CE1-CE1 4.11Å; F794-F810 AromaticContact CE1-CZ 3.95Å; F794-F810 HydrophobicContact CE1-CZ 3.95Å; F794-F810 HydrophobicContact CE2-CZ 4.13Å; F794-F810 HydrophobicContact CG-CE1 4.21Å; F794-F810 AromaticContact CG-CE2 3.87Å; F794-F810 HydrophobicContact CG-CE2 3.87Å; F794-F810 AromaticContact CG-CZ 3.34Å; F794-F810 HydrophobicContact CG-CZ 3.34Å; F794-F810 HydrophobicContact CZ-CZ 4.26Å; L805-F810 CarbonylContact C-O 3.55Å; L805-F810 WeakPolarHBondContact CA-O 3.44Å; L805-F810 VanDerWaalsContact CD2-C 3.5Å; D806-F810 PolarHBondContact N-O 3.28Å; D808-F810 HydrophobicContact CB-CD2 4.24Å; D808-F810 WeakPolarHBondContact O-CD2 3.46Å; D808-F810 PolarHBondContact OD1-N 3.03Å; F810-I852 HydrophobicContact CB-CD1 3.66Å; F810-I852 HydrophobicContact CD1-CG2 4.27Å; F810-I852 HydrophobicContact CD2-CG2 4.12Å; F810-I852 HydrophobicContact CE2-CG2 4.37Å; F810-I852 HydrophobicContact CG-CD1 4.27Å; F810-I852 HydrophobicContact CG-CG2 4.07Å; F810-L854 HydrophobicContact CE2-CD2 4.1Å; F810-A861 HydrophobicContact CE1-CB 3.97Å; F810-A861 HydrophobicContact CE2-CB 4.37Å; F810-A861 HydrophobicContact CZ-CB 3.45Å; F810-A861 VanDerWaalsContact CZ-CB 3.45Å; F810-I863 HydrophobicContact CD1-CD1 3.76Å; F810-I863 HydrophobicContact CD1-CG1 4.2Å; F810-I863 HydrophobicContact CE1-CD1 3.86Å; F810-I863 HydrophobicContact CE1-CG1 4.15Å |
| 811 | P | 92 | Very high | 85.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 147.1 | 170.9 | 27.7 | -34.1 | 0 | 0 | 0 | 111 | G804 L805 A815 L817 L824 V849 I852 | G804-P811 WeakPolarHBondContact O-CA 3.5Å; L805-P811 HydrophobicContact CD2-CB 4.22Å; L805-P811 HydrophobicContact CD2-CG 4.45Å; P811-A815 HydrophobicContact CB-CB 4.13Å; P811-L817 HydrophobicContact CB-CD2 4.32Å; P811-L817 HydrophobicContact CG-CD2 4.34Å; P811-L824 WeakPolarHBondContact CD-O 3.48Å; P811-V849 HydrophobicContact CB-CG2 4.09Å; P811-V849 HydrophobicContact CG-CG2 3.67Å; P811-I852 VanDerWaalsContact O-CD1 3.24Å; P811-I852 WeakPolarHBondContact O-CD1 3.26Å |
| 812 | P | 92.2 | Very high | 86.5 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 145.3 | 179.2 | 22.2 | -30.7 | 0 | 0 | 0 | 111.2 | G804 G814 A815 | G804-P812 WeakPolarHBondContact O-CD 3.41Å; P812-G814 PolarHBondContact O-N 3.24Å; P812-A815 HydrophobicContact CG-CB 4.17Å; P812-A815 WeakPolarHBondContact O-CB 3.44Å; P812-A815 PolarHBondContact O-N 2.94Å |
| 813 | V | 92.4 | Very high | 87.7 | Confident | 99 Ų | 99 | 57 Ų | 57 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 128.3 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | D850 I852 | V813-D850 WeakPolarHBondContact CG1-O 3.47Å; V813-I852 HydrophobicContact CG2-CD1 4.41Å |
| 814 | G | 92.6 | Very high | 88.6 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P812 R816 V849 | P812-G814 PolarHBondContact O-N 3.24Å; G814-R816 PolarHBondContact O-N 2.85Å; G814-V849 WeakPolarHBondContact CA-O 3.4Å; G814-V849 PolarHBondContact N-O 3.45Å |
| 815 | A | 92.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 47 Ų | 47 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 137.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P811 P812 Y848 V849 | P811-A815 HydrophobicContact CB-CB 4.13Å; P812-A815 HydrophobicContact CG-CB 4.17Å; P812-A815 WeakPolarHBondContact O-CB 3.44Å; P812-A815 PolarHBondContact O-N 2.94Å; A815-Y848 VanDerWaalsContact O-CA 3.3Å; A815-Y848 WeakPolarHBondContact O-CA 3.31Å; A815-V849 HydrophobicContact CB-CG2 4.14Å; A815-V849 PolarHBondContact O-N 3.04Å; A815-V849 VanDerWaalsContact O-N 3.08Å |
| 816 | R | 93.9 | Very high | 89.3 | Confident | 114 Ų | 114 | 46.6 Ų | 46.6 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.9 | 173.2 | 180 | 171.4 | 169.9 | -88.2 | -6 | 109.2 | G814 E818 I846 Y848 | G814-R816 PolarHBondContact O-N 2.85Å; R816-E818 IonicContact CZ-OE1 3.82Å; R816-E818 IonicContact NH1-OE1 3.21Å; R816-E818 PolarHBondContact NH1-OE1 3.29Å; R816-E818 IonicContact NH2-OE1 2.99Å; R816-E818 PolarHBondContact NH2-OE1 3.03Å; R816-I846 HydrophobicContact CG-CG2 3.74Å; R816-I846 VanDerWaalsContact NH2-CD1 3.31Å; R816-Y848 HydrophobicContact CB-CD1 4.21Å; R816-Y848 HydrophobicContact CB-CE1 3.88Å; R816-Y848 HydrophobicContact CG-CE1 4.11Å |
| 817 | L | 92 | Very high | 89.4 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.8 | 179.3 | -57.2 | -179.4 | 0 | 0 | 0 | 110.5 | P811 L824 Y840 A847 V849 L865 | P811-L817 HydrophobicContact CB-CD2 4.32Å; P811-L817 HydrophobicContact CG-CD2 4.34Å; L817-L824 HydrophobicContact CD1-CD1 3.81Å; L817-Y840 HydrophobicContact CB-CD1 3.83Å; L817-Y840 HydrophobicContact CB-CE1 4.28Å; L817-Y840 HydrophobicContact CB-CG 4.21Å; L817-Y840 HydrophobicContact CD1-CG 4.42Å; L817-A847 HydrophobicContact CB-CB 4.47Å; L817-A847 PolarHBondContact N-O 3.33Å; L817-A847 PolarHBondContact O-N 2.93Å; L817-V849 HydrophobicContact CD1-CG2 3.87Å; L817-V849 HydrophobicContact CD2-CG2 4.26Å; L817-V849 HydrophobicContact CG-CG2 4.07Å; L817-L865 HydrophobicContact CD1-CD2 3.62Å |
| 818 | E | 90.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 37.3 Ų | 37.3 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -96.7 | 129.4 | 170.6 | -70.5 | -172.1 | 162.6 | 0 | 0 | 110.2 | R816 G820 V821 S822 | R816-E818 IonicContact CZ-OE1 3.82Å; R816-E818 IonicContact NH1-OE1 3.21Å; R816-E818 PolarHBondContact NH1-OE1 3.29Å; R816-E818 IonicContact NH2-OE1 2.99Å; R816-E818 PolarHBondContact NH2-OE1 3.03Å; E818-G820 PolarHBondContact O-N 3.23Å; E818-V821 HydrophobicContact CB-CB 4.07Å; E818-V821 PolarHBondContact O-N 2.83Å; E818-S822 PolarHBondContact N-OG 3.42Å; E818-S822 PolarHBondContact O-N 2.76Å |
| 819 | P | 85.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 134.9 | -179.7 | -22.8 | 31.5 | 0 | 0 | 0 | 113.6 | V821 Y840 G843 Q845 | P819-V821 PolarHBondContact O-N 2.98Å; P819-V821 VanDerWaalsContact O-N 3.08Å; P819-Y840 CarbonylContact C-O 3.57Å; P819-Y840 VanDerWaalsContact CA-O 3.28Å; P819-Y840 WeakPolarHBondContact CA-O 3.14Å; P819-Y840 HydrophobicContact CB-CD1 4.38Å; P819-Y840 HydrophobicContact CG-CD1 4.15Å; P819-Y840 HydrophobicContact CG-CE1 3.92Å; P819-G843 WeakPolarHBondContact CB-O 3.46Å; P819-G843 WeakPolarHBondContact CG-O 3.44Å; P819-Q845 WeakPolarHBondContact CG-O 3.27Å |
| 820 | G | 83.9 | Confident | 89.6 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -9.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E818 K839 Y840 | E818-G820 PolarHBondContact O-N 3.23Å; G820-K839 VanDerWaalsContact O-CD 3.32Å; G820-K839 WeakPolarHBondContact O-CD 3.39Å; G820-K839 PolarHBondContact O-NZ 2.73Å; G820-Y840 PolarHBondContact N-O 2.89Å |
| 821 | V | 86.7 | Confident | 89.2 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -57 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | E818 P819 | E818-V821 HydrophobicContact CB-CB 4.07Å; E818-V821 PolarHBondContact O-N 2.83Å; P819-V821 PolarHBondContact O-N 2.98Å; P819-V821 VanDerWaalsContact O-N 3.08Å |
| 822 | S | 88.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -77.9 | 141.5 | -174.9 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | E818 Y840 | E818-S822 PolarHBondContact N-OG 3.42Å; E818-S822 PolarHBondContact O-N 2.76Å; S822-Y840 PolarHBondContact O-N 3.37Å |
| 823 | W | 89.1 | Confident | 88.4 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139 | 171.1 | -56.6 | 119.9 | 0 | 0 | 0 | 111 | D802 L805 F837 K839 | D802-W823 PolarHBondContact OD2-NE1 3.49Å; L805-W823 HydrophobicContact CD1-CB 3.78Å; L805-W823 HydrophobicContact CD1-CG 4.23Å; L805-W823 HydrophobicContact CD2-CB 3.83Å; L805-W823 HydrophobicContact CG-CB 3.8Å; L805-W823 HydrophobicContact CG-CG 4.45Å; W823-F837 HydrophobicContact CD2-CB 4.24Å; W823-F837 HydrophobicContact CD2-CD1 4.4Å; W823-F837 HydrophobicContact CE3-CB 3.57Å; W823-F837 HydrophobicContact CE3-CG 4.48Å; W823-F837 HydrophobicContact CH2-CB 3.87Å; W823-F837 HydrophobicContact CZ3-CB 3.34Å; W823-F837 HydrophobicContact CZ3-CG 4.35Å; W823-K839 HydrophobicContact CD2-CG 4.3Å; W823-K839 HydrophobicContact CE3-CB 4.42Å; W823-K839 HydrophobicContact CE3-CD 4.37Å; W823-K839 HydrophobicContact CE3-CG 3.35Å; W823-K839 HydrophobicContact CH2-CD 4.37Å; W823-K839 VanDerWaalsContact CH2-CE 3.44Å; W823-K839 HydrophobicContact CH2-CG 4.11Å; W823-K839 HydrophobicContact CZ3-CD 3.95Å; W823-K839 HydrophobicContact CZ3-CG 3.25Å |
| 824 | L | 88 | Confident | 88 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -41.8 | 178.3 | -175.4 | 66.7 | 0 | 0 | 0 | 111.8 | P811 L817 I838 Y840 I863 L865 | P811-L824 WeakPolarHBondContact CD-O 3.48Å; L817-L824 HydrophobicContact CD1-CD1 3.81Å; L824-I838 PolarHBondContact N-O 3.27Å; L824-Y840 HydrophobicContact CD1-CD2 4.3Å; L824-I863 HydrophobicContact CD1-CD1 4.36Å; L824-I863 HydrophobicContact CD1-CG2 4.46Å; L824-I863 HydrophobicContact CG-CD1 4.19Å; L824-L865 HydrophobicContact CD1-CD1 4.35Å; L824-L865 HydrophobicContact CD1-CD2 4.26Å |
| 825 | Y | 90.8 | Very high | 87.7 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 14% | 0.137 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 161.3 | 171.4 | 63.9 | -83.5 | 0 | 0 | 0 | 111.1 | I767 F794 G809 Y827 I838 I863 | I767-Y825 HydrophobicContact CD1-CD1 3.43Å; I767-Y825 VanDerWaalsContact CD1-CD1 3.43Å; I767-Y825 HydrophobicContact CD1-CE1 3.47Å; I767-Y825 VanDerWaalsContact CD1-CE1 3.47Å; I767-Y825 HydrophobicContact CD1-CG 3.98Å; I767-Y825 HydrophobicContact CG1-CE1 4.14Å; I767-Y825 HydrophobicContact CG2-CE1 4.37Å; I767-Y825 HydrophobicContact CG2-CE2 3.95Å; F794-Y825 HydrophobicContact CD1-CD2 4.12Å; F794-Y825 AromaticContact CE1-CD2 3.74Å; F794-Y825 HydrophobicContact CE1-CD2 3.74Å; F794-Y825 HydrophobicContact CE1-CE2 4.18Å; F794-Y825 HydrophobicContact CE1-CG 4.37Å; G809-Y825 CarbonylContact O-C 3.58Å; G809-Y825 WeakPolarHBondContact O-CA 3.49Å; Y825-Y827 HydrophobicContact CD2-CD1 4.14Å; Y825-Y827 AromaticContact CE2-CD1 3.73Å; Y825-Y827 HydrophobicContact CE2-CD1 3.73Å; Y825-Y827 HydrophobicContact CE2-CE1 4.24Å; Y825-I838 HydrophobicContact CD1-CB 4.09Å; Y825-I838 HydrophobicContact CD1-CG2 4.3Å; Y825-I838 HydrophobicContact CD2-CB 4.47Å; Y825-I838 HydrophobicContact CD2-CG1 4.38Å; Y825-I838 HydrophobicContact CE1-CB 3.73Å; Y825-I838 HydrophobicContact CE1-CG1 4.1Å; Y825-I838 HydrophobicContact CE1-CG2 3.64Å; Y825-I838 HydrophobicContact CE2-CB 4.15Å; Y825-I838 HydrophobicContact CE2-CG1 3.74Å; Y825-I838 HydrophobicContact CG-CB 4.45Å; Y825-I838 PolarHBondContact N-O 2.84Å; Y825-I838 PolarHBondContact O-N 2.78Å; Y825-I863 HydrophobicContact CD1-CD1 4.4Å |
| 826 | A | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G795 F796 L805 G809 T835 N836 F837 | G795-A826 PolarHBondContact N-O 2.87Å; F796-A826 HydrophobicContact CD1-CB 4.46Å; F796-A826 HydrophobicContact CE1-CB 3.56Å; F796-A826 HydrophobicContact CZ-CB 3.66Å; L805-A826 HydrophobicContact CD1-CB 3.88Å; G809-A826 PolarHBondContact O-N 3.28Å; A826-T835 HydrophobicContact CB-CG2 4.18Å; A826-N836 WeakPolarHBondContact CA-O 3.34Å; A826-F837 HydrophobicContact CB-CD1 4.03Å; A826-F837 HydrophobicContact CB-CE1 4.28Å |
| 827 | Y | 89.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.4 | 175.6 | 67.8 | -85.5 | 0 | 0 | 0 | 111.4 | L769 L772 Y792 Y793 Y825 T835 N836 I838 | L769-Y827 HydrophobicContact CD1-CG 4.35Å; L769-Y827 HydrophobicContact CD2-CD1 4.16Å; L769-Y827 HydrophobicContact CD2-CD2 4.2Å; L769-Y827 HydrophobicContact CD2-CG 3.86Å; L772-Y827 HydrophobicContact CD2-CE2 4.21Å; Y792-Y827 AromaticContact CD1-CD2 3.62Å; Y792-Y827 HydrophobicContact CD1-CD2 3.62Å; Y792-Y827 AromaticContact CD1-CE2 3.76Å; Y792-Y827 HydrophobicContact CD1-CE2 3.76Å; Y792-Y827 HydrophobicContact CE1-CD2 4.29Å; Y792-Y827 AromaticContact CE1-CE2 3.98Å; Y792-Y827 HydrophobicContact CE1-CE2 3.98Å; Y792-Y827 HydrophobicContact CG-CD2 4.2Å; Y792-Y827 HydrophobicContact CG-CE2 4.46Å; Y793-Y827 CarbonylContact O-C 3.59Å; Y793-Y827 WeakPolarHBondContact O-CA 3.35Å; Y825-Y827 HydrophobicContact CD2-CD1 4.14Å; Y825-Y827 AromaticContact CE2-CD1 3.73Å; Y825-Y827 HydrophobicContact CE2-CD1 3.73Å; Y825-Y827 HydrophobicContact CE2-CE1 4.24Å; Y827-T835 WeakPolarHBondContact O-CA 3.38Å; Y827-N836 HydrophobicContact CD1-CB 4.21Å; Y827-N836 HydrophobicContact CE1-CB 3.66Å; Y827-N836 HydrophobicContact CE2-CB 4.02Å; Y827-N836 PolarHBondContact N-O 2.78Å; Y827-N836 PolarHBondContact O-N 2.58Å; Y827-N836 PolarHBondContact OH-ND2 2.99Å; Y827-I838 HydrophobicContact CD1-CG1 4.45Å; Y827-I838 HydrophobicContact CE1-CD1 4.26Å; Y827-I838 HydrophobicContact CE1-CG1 4Å |
| 828 | T | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.7 | -177.7 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | Y792 Y793 G795 A797 Q834 T835 | Y792-T828 VanDerWaalsContact CA-O 3.3Å; Y792-T828 WeakPolarHBondContact CA-O 3.27Å; Y793-T828 HydrophobicContact CE1-CG2 4.21Å; Y793-T828 PolarHBondContact N-O 2.85Å; Y793-T828 PolarHBondContact O-N 2.79Å; G795-T828 PolarHBondContact O-OG1 2.96Å; A797-T828 HydrophobicContact CB-CG2 3.85Å; T828-Q834 WeakPolarHBondContact CA-O 3.45Å; T828-T835 PolarHBondContact OG1-OG1 3.01Å |
| 829 | H | 87.2 | Confident | 87.1 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.2 | 166.2 | -169.5 | -63 | 0 | 0 | 0 | 110.3 | E791 Y792 E831 T832 L833 Q834 | E791-H829 CarbonylContact O-C 3.43Å; E791-H829 WeakPolarHBondContact O-CA 3.16Å; Y792-H829 HydrophobicContact CD1-CB 3.92Å; Y792-H829 HydrophobicContact CE1-CB 3.7Å; Y792-H829 AromaticContact CE1-CD2 3.5Å; Y792-H829 AromaticContact CE1-CG 3.93Å; Y792-H829 AromaticContact CZ-CD2 3.46Å; Y792-H829 VanDerWaalsContact CZ-CD2 3.46Å; Y792-H829 PolarHBondContact OH-CD2 3.12Å; H829-E831 PolarHBondContact ND1-N 2.94Å; H829-T832 VanDerWaalsContact CB-OG1 3.24Å; H829-T832 WeakPolarHBondContact CB-OG1 3.44Å; H829-T832 PolarHBondContact ND1-N 3.3Å; H829-L833 VanDerWaalsContact O-CA 3.26Å; H829-L833 WeakPolarHBondContact O-CA 3.4Å; H829-L833 PolarHBondContact O-N 2.81Å; H829-Q834 PolarHBondContact N-O 3.47Å |
| 830 | S | 83.7 | Confident | 87.2 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -45.8 | -176.1 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | E791 | E791-S830 WeakPolarHBondContact O-CB 3.3Å; E791-S830 PolarHBondContact O-N 2.86Å; E791-S830 PolarHBondContact O-OG 3.06Å; E791-S830 VanDerWaalsContact O-OG 3.09Å |
| 831 | E | 84 | Confident | 87 | Confident | 155 Ų | 155 | 60.5 Ų | 60.5 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -49.6 | -179.3 | -55.1 | -177.7 | 163.4 | 0 | 0 | 114.2 | H829 L833 | H829-E831 PolarHBondContact ND1-N 2.94Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.34Å |
| 832 | T | 84.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.8 | -175 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | H829 Q834 | H829-T832 VanDerWaalsContact CB-OG1 3.24Å; H829-T832 WeakPolarHBondContact CB-OG1 3.44Å; H829-T832 PolarHBondContact ND1-N 3.3Å; T832-Q834 PolarHBondContact O-N 3.38Å; T832-Q834 PolarHBondContact OG1-N 3.45Å |
| 833 | L | 82.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 58 Ų | 58 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | trans | 55.5 | 14.6 | -174.3 | -57.5 | 176.9 | 0 | 0 | 0 | 113.9 | A797 H829 E831 T835 | A797-L833 HydrophobicContact CB-CB 3.8Å; A797-L833 HydrophobicContact CB-CD2 3.85Å; A797-L833 HydrophobicContact CB-CG 4.28Å; H829-L833 VanDerWaalsContact O-CA 3.26Å; H829-L833 WeakPolarHBondContact O-CA 3.4Å; H829-L833 PolarHBondContact O-N 2.81Å; E831-L833 VanDerWaalsContact C-N 3.31Å; E831-L833 PolarHBondContact O-N 3.34Å; L833-T835 PolarHBondContact O-N 3.17Å | ||
| 834 | Q | 84.7 | Confident | 84.1 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | trans | -73.7 | 124.5 | 177 | -173.6 | 177.9 | -5.1 | 0 | 0 | 109.6 | T828 H829 T832 | T828-Q834 WeakPolarHBondContact CA-O 3.45Å; H829-Q834 PolarHBondContact N-O 3.47Å; T832-Q834 PolarHBondContact O-N 3.38Å; T832-Q834 PolarHBondContact OG1-N 3.45Å | ||
| 835 | T | 85.2 | Confident | 83.7 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130 | 178 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | F796 A826 Y827 T828 L833 F837 | F796-T835 HydrophobicContact CD1-CG2 3.84Å; F796-T835 HydrophobicContact CE1-CG2 4.12Å; A826-T835 HydrophobicContact CB-CG2 4.18Å; Y827-T835 WeakPolarHBondContact O-CA 3.38Å; T828-T835 PolarHBondContact OG1-OG1 3.01Å; L833-T835 PolarHBondContact O-N 3.17Å; T835-F837 HydrophobicContact CG2-CE2 4.07Å; T835-F837 HydrophobicContact CG2-CZ 4.2Å |
| 836 | N | 88.2 | Confident | 83.7 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.1 | 175.2 | -68 | -45.8 | 0 | 0 | 0 | 110.1 | A826 Y827 | A826-N836 WeakPolarHBondContact CA-O 3.34Å; Y827-N836 HydrophobicContact CD1-CB 4.21Å; Y827-N836 HydrophobicContact CE1-CB 3.66Å; Y827-N836 HydrophobicContact CE2-CB 4.02Å; Y827-N836 PolarHBondContact N-O 2.78Å; Y827-N836 PolarHBondContact O-N 2.58Å; Y827-N836 PolarHBondContact OH-ND2 2.99Å |
| 837 | F | 88.1 | Confident | 83.8 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.8 | -178.3 | -62.1 | -101.4 | 0 | 0 | 0 | 110.3 | F796 D802 L805 W823 A826 T835 | F796-F837 HydrophobicContact CD1-CE1 4.47Å; F796-F837 HydrophobicContact CD1-CZ 4.35Å; F796-F837 HydrophobicContact CE1-CD1 4.41Å; F796-F837 AromaticContact CE1-CE1 3.49Å; F796-F837 HydrophobicContact CE1-CE1 3.49Å; F796-F837 VanDerWaalsContact CE1-CE1 3.49Å; F796-F837 AromaticContact CE1-CZ 3.77Å; F796-F837 HydrophobicContact CE1-CZ 3.77Å; F796-F837 HydrophobicContact CZ-CE1 4.2Å; D802-F837 HydrophobicContact CB-CE1 4.25Å; L805-F837 HydrophobicContact CD1-CD1 4.1Å; L805-F837 HydrophobicContact CD1-CE1 4.35Å; W823-F837 HydrophobicContact CD2-CB 4.24Å; W823-F837 HydrophobicContact CD2-CD1 4.4Å; W823-F837 HydrophobicContact CE3-CB 3.57Å; W823-F837 HydrophobicContact CE3-CG 4.48Å; W823-F837 HydrophobicContact CH2-CB 3.87Å; W823-F837 HydrophobicContact CZ3-CB 3.34Å; W823-F837 HydrophobicContact CZ3-CG 4.35Å; A826-F837 HydrophobicContact CB-CD1 4.03Å; A826-F837 HydrophobicContact CB-CE1 4.28Å; T835-F837 HydrophobicContact CG2-CE2 4.07Å; T835-F837 HydrophobicContact CG2-CZ 4.2Å |
| 838 | I | 89.7 | Confident | 84 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 29% | 0.292 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.9 | 178.5 | -58.5 | -60.4 | 0 | 0 | 0 | 109.2 | L824 Y825 Y827 | L824-I838 PolarHBondContact N-O 3.27Å; Y825-I838 HydrophobicContact CD1-CB 4.09Å; Y825-I838 HydrophobicContact CD1-CG2 4.3Å; Y825-I838 HydrophobicContact CD2-CB 4.47Å; Y825-I838 HydrophobicContact CD2-CG1 4.38Å; Y825-I838 HydrophobicContact CE1-CB 3.73Å; Y825-I838 HydrophobicContact CE1-CG1 4.1Å; Y825-I838 HydrophobicContact CE1-CG2 3.64Å; Y825-I838 HydrophobicContact CE2-CB 4.15Å; Y825-I838 HydrophobicContact CE2-CG1 3.74Å; Y825-I838 HydrophobicContact CG-CB 4.45Å; Y825-I838 PolarHBondContact N-O 2.84Å; Y825-I838 PolarHBondContact O-N 2.78Å; Y827-I838 HydrophobicContact CD1-CG1 4.45Å; Y827-I838 HydrophobicContact CE1-CD1 4.26Å; Y827-I838 HydrophobicContact CE1-CG1 4Å |
| 839 | K | 89.7 | Confident | 84.3 | Confident | 87 Ų | 87 | 67 Ų | 67 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 153.6 | 176.6 | -67.5 | -174.6 | 166.3 | -166.7 | 0 | 111.2 | G820 W823 E841 | G820-K839 VanDerWaalsContact O-CD 3.32Å; G820-K839 WeakPolarHBondContact O-CD 3.39Å; G820-K839 PolarHBondContact O-NZ 2.73Å; W823-K839 HydrophobicContact CD2-CG 4.3Å; W823-K839 HydrophobicContact CE3-CB 4.42Å; W823-K839 HydrophobicContact CE3-CD 4.37Å; W823-K839 HydrophobicContact CE3-CG 3.35Å; W823-K839 HydrophobicContact CH2-CD 4.37Å; W823-K839 VanDerWaalsContact CH2-CE 3.44Å; W823-K839 HydrophobicContact CH2-CG 4.11Å; W823-K839 HydrophobicContact CZ3-CD 3.95Å; W823-K839 HydrophobicContact CZ3-CG 3.25Å; K839-E841 PolarHBondContact O-N 3.05Å |
| 840 | Y | 88.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | trans | -71.5 | 115.5 | 170.8 | 176.3 | -120.5 | 0 | 0 | 0 | 110.4 | L817 P819 G820 S822 L824 G842 Q845 A847 L865 | L817-Y840 HydrophobicContact CB-CD1 3.83Å; L817-Y840 HydrophobicContact CB-CE1 4.28Å; L817-Y840 HydrophobicContact CB-CG 4.21Å; L817-Y840 HydrophobicContact CD1-CG 4.42Å; P819-Y840 CarbonylContact C-O 3.57Å; P819-Y840 VanDerWaalsContact CA-O 3.28Å; P819-Y840 WeakPolarHBondContact CA-O 3.14Å; P819-Y840 HydrophobicContact CB-CD1 4.38Å; P819-Y840 HydrophobicContact CG-CD1 4.15Å; P819-Y840 HydrophobicContact CG-CE1 3.92Å; G820-Y840 PolarHBondContact N-O 2.89Å; S822-Y840 PolarHBondContact O-N 3.37Å; L824-Y840 HydrophobicContact CD1-CD2 4.3Å; Y840-G842 VanDerWaalsContact CZ-CA 3.45Å; Y840-Q845 WeakPolarHBondContact CE1-O 3.39Å; Y840-Q845 PolarHBondContact OH-O 3.31Å; Y840-A847 HydrophobicContact CE1-CB 4Å; Y840-A847 HydrophobicContact CE2-CB 4.42Å; Y840-A847 WeakPolarHBondContact OH-CB 3.39Å; Y840-L865 HydrophobicContact CD2-CD1 4.06Å; Y840-L865 HydrophobicContact CE2-CD1 3.52Å | ||
| 841 | E | 80.6 | Confident | 84.9 | Confident | 178 Ų | 178 | 66.3 Ų | 66.3 | 83% | 0.832 | 34% | 0.343 | S | S | * | . | trans | -101.8 | 28 | 179.8 | -62.1 | -169.4 | 158.8 | 0 | 0 | 112.9 | K839 G843 | K839-E841 PolarHBondContact O-N 3.05Å; E841-G843 PolarHBondContact O-N 2.98Å | ||
| 842 | G | 68.1 | Low | 85.1 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 32% | 0.319 | C | S | . | . | trans | -64.7 | 27.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y840 | Y840-G842 VanDerWaalsContact CZ-CA 3.45Š| ||
| 843 | G | 68.2 | Low | 85.2 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -135.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P819 E841 | P819-G843 WeakPolarHBondContact CB-O 3.46Å; P819-G843 WeakPolarHBondContact CG-O 3.44Å; E841-G843 PolarHBondContact O-N 2.98Å |
| 844 | E | 67 | Low | 85.2 | Confident | 135 Ų | 135 | 57.7 Ų | 57.7 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 12.8 | 176 | -65.9 | 175.2 | 180 | 0 | 0 | 112.2 | Y1005 | E844-Y1005 WeakPolarHBondContact OE2-CE2 2.95Å; E844-Y1005 PolarHBondContact OE2-OH 3.23Å |
| 845 | Q | 79.8 | Confident | 84.8 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | trans | -100.5 | 123.1 | -169.5 | -62.5 | 176.5 | -7.1 | 0 | 0 | 112.1 | P819 Y840 L867 R869 A1002 D1003 | P819-Q845 WeakPolarHBondContact CG-O 3.27Å; Y840-Q845 WeakPolarHBondContact CE1-O 3.39Å; Y840-Q845 PolarHBondContact OH-O 3.31Å; Q845-L867 HydrophobicContact CB-CD2 4.28Å; Q845-R869 VanDerWaalsContact CD-NH1 3.3Å; Q845-A1002 PolarHBondContact NE2-O 3.42Å; Q845-D1003 PolarHBondContact NE2-OD1 3.48Å | ||
| 846 | I | 89.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 35% | 0.354 | 31% | 0.312 | S | S | . | . | trans | -64.5 | 135.3 | 172.3 | -60.9 | 162 | 0 | 0 | 0 | 109.6 | R816 Y848 | R816-I846 HydrophobicContact CG-CG2 3.74Å; R816-I846 VanDerWaalsContact NH2-CD1 3.31Å; I846-Y848 HydrophobicContact CG2-CE2 4.25Å | ||
| 847 | A | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L817 Y840 L865 L867 | L817-A847 HydrophobicContact CB-CB 4.47Å; L817-A847 PolarHBondContact N-O 3.33Å; L817-A847 PolarHBondContact O-N 2.93Å; Y840-A847 HydrophobicContact CE1-CB 4Å; Y840-A847 HydrophobicContact CE2-CB 4.42Å; Y840-A847 WeakPolarHBondContact OH-CB 3.39Å; A847-L865 HydrophobicContact CB-CB 4.28Å; A847-L865 HydrophobicContact CB-CD1 4.42Å; A847-L867 HydrophobicContact CB-CG 4.13Å |
| 848 | Y | 94.6 | Very high | 83.1 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 26% | 0.263 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.3 | 171.3 | -63.5 | -93.2 | 0 | 0 | 0 | 109.5 | A815 R816 I846 D850 L865 R866 P868 | A815-Y848 VanDerWaalsContact O-CA 3.3Å; A815-Y848 WeakPolarHBondContact O-CA 3.31Å; R816-Y848 HydrophobicContact CB-CD1 4.21Å; R816-Y848 HydrophobicContact CB-CE1 3.88Å; R816-Y848 HydrophobicContact CG-CE1 4.11Å; I846-Y848 HydrophobicContact CG2-CE2 4.25Å; Y848-D850 PolarHBondContact O-N 3.4Å; Y848-L865 CarbonylContact O-C 3.54Å; Y848-L865 WeakPolarHBondContact O-CA 3.3Å; Y848-R866 PolarHBondContact N-O 3.42Å; Y848-R866 PolarHBondContact O-N 2.96Å; Y848-P868 HydrophobicContact CD2-CG 4.35Å; Y848-P868 HydrophobicContact CE2-CG 3.95Å |
| 849 | V | 94.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | P811 G814 A815 L817 I852 L865 | P811-V849 HydrophobicContact CB-CG2 4.09Å; P811-V849 HydrophobicContact CG-CG2 3.67Å; G814-V849 WeakPolarHBondContact CA-O 3.4Å; G814-V849 PolarHBondContact N-O 3.45Å; A815-V849 HydrophobicContact CB-CG2 4.14Å; A815-V849 PolarHBondContact O-N 3.04Å; A815-V849 VanDerWaalsContact O-N 3.08Å; L817-V849 HydrophobicContact CD1-CG2 3.87Å; L817-V849 HydrophobicContact CD2-CG2 4.26Å; L817-V849 HydrophobicContact CG-CG2 4.07Å; V849-I852 HydrophobicContact CG1-CD1 3.82Å; V849-I852 HydrophobicContact CG1-CG1 3.95Å; V849-L865 HydrophobicContact CG2-CD2 4.4Å |
| 850 | D | 92.1 | Very high | 82.7 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -45.2 | -179.8 | -164.5 | 70 | 0 | 0 | 0 | 111.6 | Y762 V813 Y848 T864 R866 | Y762-D850 HydrophobicContact CD1-CB 4.44Å; Y762-D850 HydrophobicContact CE1-CB 4.41Å; Y762-D850 WeakPolarHBondContact CE1-OD2 3.37Å; V813-D850 WeakPolarHBondContact CG1-O 3.47Å; Y848-D850 PolarHBondContact O-N 3.4Å; D850-T864 HydrophobicContact CB-CG2 4.38Å; D850-T864 WeakPolarHBondContact CB-O 3.27Å; D850-T864 PolarHBondContact N-O 2.96Å; D850-R866 HydrophobicContact CB-CB 4.12Å |
| 851 | S | 90.7 | Very high | 82.7 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 150 | 177.4 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | T864 | S851-T864 PolarHBondContact N-O 2.74Å; S851-T864 PolarHBondContact O-N 3.31Å; S851-T864 WeakPolarHBondContact OG-CB 3.5Å |
| 852 | I | 89.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.5 | 172.1 | -62.9 | 153.8 | 0 | 0 | 0 | 107.1 | F810 P811 V813 V849 T862 I863 | F810-I852 HydrophobicContact CB-CD1 3.66Å; F810-I852 HydrophobicContact CD1-CG2 4.27Å; F810-I852 HydrophobicContact CD2-CG2 4.12Å; F810-I852 HydrophobicContact CE2-CG2 4.37Å; F810-I852 HydrophobicContact CG-CD1 4.27Å; F810-I852 HydrophobicContact CG-CG2 4.07Å; P811-I852 VanDerWaalsContact O-CD1 3.24Å; P811-I852 WeakPolarHBondContact O-CD1 3.26Å; V813-I852 HydrophobicContact CG2-CD1 4.41Å; V849-I852 HydrophobicContact CG1-CD1 3.82Å; V849-I852 HydrophobicContact CG1-CG1 3.95Å; I852-T862 WeakPolarHBondContact CA-O 3.32Å; I852-I863 HydrophobicContact CG1-CG2 4.37Å |
| 853 | S | 86.8 | Confident | 84.2 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.5 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | N855 A861 T862 | S853-N855 PolarHBondContact O-OD1 3.23Å; S853-A861 CarbonylContact O-C 3.58Å; S853-A861 WeakPolarHBondContact O-CA 3.31Å; S853-T862 PolarHBondContact N-O 3.41Å; S853-T862 PolarHBondContact O-N 3.25Å |
| 854 | L | 82.2 | Confident | 85.3 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 37% | 0.366 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.5 | 167.8 | -64.6 | 171.4 | 0 | 0 | 0 | 107.9 | F810 G856 W858 A861 | F810-L854 HydrophobicContact CE2-CD2 4.1Å; L854-G856 PolarHBondContact O-N 3.47Å; L854-W858 HydrophobicContact CD1-CD2 4.27Å; L854-W858 HydrophobicContact CD1-CE3 4.13Å; L854-W858 HydrophobicContact CD1-CH2 4.02Å; L854-W858 HydrophobicContact CD1-CZ2 4.16Å; L854-W858 HydrophobicContact CD1-CZ3 4.01Å; L854-W858 HydrophobicContact CD2-CE3 4.5Å; L854-A861 HydrophobicContact CD2-CB 4.15Å |
| 855 | N | 76 | Confident | 86.5 | Confident | 22 Ų | 22 | 36 Ų | 36 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 49.1 | -173.6 | -65.8 | -17.6 | 0 | 0 | 0 | 111.2 | R68 S853 S857 C860 T862 | R68-N855 PolarHBondContact O-OD1 3.07Å; R68-N855 VanDerWaalsContact O-OD1 3.12Å; S853-N855 PolarHBondContact O-OD1 3.23Å; N855-S857 PolarHBondContact O-N 3.38Å; N855-C860 HydrophobicContact CB-CB 4.23Å; N855-C860 PolarHBondContact N-O 2.86Å; N855-C860 PolarHBondContact ND2-SG 3.12Å; N855-T862 PolarHBondContact ND2-OG1 3.48Å; N855-T862 PolarHBondContact OD1-OG1 2.98Å |
| 856 | G | 70.7 | Confident | 87.2 | Confident | 85 Ų | 85 | 39 Ų | 39 | 88% | 0.876 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 76.8 | -7.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L854 | L854-G856 PolarHBondContact O-N 3.47Å |
| 857 | S | 75.3 | Confident | 87.3 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.3 | 173.2 | 82.6 | 0 | 0 | 0 | 0 | 112.3 | N855 S859 C860 | N855-S857 PolarHBondContact O-N 3.38Å; S857-S859 PolarHBondContact O-N 3.41Å; S857-S859 PolarHBondContact OG-N 3.09Å; S857-S859 PolarHBondContact OG-OG 2.75Å; S857-C860 PolarHBondContact O-N 3.1Å; S857-C860 VanDerWaalsContact O-O 3.12Å; S857-C860 PolarHBondContact OG-N 2.88Å; S857-C860 VanDerWaalsContact OG-N 3.07Å |
| 858 | W | 80.7 | Confident | 87.3 | Confident | 153 Ų | 153 | 39.1 Ų | 39.1 | 58% | 0.58 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 4.6 | 171 | -73 | 94.3 | 0 | 0 | 0 | 113.7 | Y793 F794 D808 L854 | Y793-W858 WeakPolarHBondContact CA-O 3.44Å; F794-W858 WeakPolarHBondContact CD2-O 3.36Å; F794-W858 PolarHBondContact N-O 3.18Å; D808-W858 HydrophobicContact CB-CZ3 4.33Å; L854-W858 HydrophobicContact CD1-CD2 4.27Å; L854-W858 HydrophobicContact CD1-CE3 4.13Å; L854-W858 HydrophobicContact CD1-CH2 4.02Å; L854-W858 HydrophobicContact CD1-CZ2 4.16Å; L854-W858 HydrophobicContact CD1-CZ3 4.01Å; L854-W858 HydrophobicContact CD2-CE3 4.5Å |
| 859 | S | 84.1 | Confident | 87 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -8.5 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 113 | L769 S790 S857 | L769-S859 WeakPolarHBondContact CB-O 3.33Å; L769-S859 PolarHBondContact N-O 3.39Å; S790-S859 VanDerWaalsContact CB-CB 3.49Å; S857-S859 PolarHBondContact O-N 3.41Å; S857-S859 PolarHBondContact OG-N 3.09Å; S857-S859 PolarHBondContact OG-OG 2.75Å |
| 860 | C | 85.8 | Confident | 86.7 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119.8 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | I767 N855 S857 | I767-C860 CarbonylContact O-C 3.49Å; I767-C860 VanDerWaalsContact O-CA 3.27Å; I767-C860 WeakPolarHBondContact O-CA 3.21Å; N855-C860 HydrophobicContact CB-CB 4.23Å; N855-C860 PolarHBondContact N-O 2.86Å; N855-C860 PolarHBondContact ND2-SG 3.12Å; S857-C860 PolarHBondContact O-N 3.1Å; S857-C860 VanDerWaalsContact O-O 3.12Å; S857-C860 PolarHBondContact OG-N 2.88Å; S857-C860 VanDerWaalsContact OG-N 3.07Å |
| 861 | A | 89 | Confident | 86.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I767 F794 F810 S853 L854 | I767-A861 PolarHBondContact N-O 3.48Å; I767-A861 PolarHBondContact O-N 2.78Å; F794-A861 HydrophobicContact CD2-CB 4Å; F794-A861 HydrophobicContact CE2-CB 3.48Å; F794-A861 VanDerWaalsContact CE2-CB 3.48Å; F794-A861 HydrophobicContact CZ-CB 3.84Å; F810-A861 HydrophobicContact CE1-CB 3.97Å; F810-A861 HydrophobicContact CE2-CB 4.37Å; F810-A861 HydrophobicContact CZ-CB 3.45Å; F810-A861 VanDerWaalsContact CZ-CB 3.45Å; S853-A861 CarbonylContact O-C 3.58Å; S853-A861 WeakPolarHBondContact O-CA 3.31Å; L854-A861 HydrophobicContact CD2-CB 4.15Å |
| 862 | T | 88.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.2 | 172.2 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | E765 V766 I852 S853 N855 | E765-T862 WeakPolarHBondContact O-CA 3.42Å; V766-T862 HydrophobicContact CG2-CG2 4.14Å; I852-T862 WeakPolarHBondContact CA-O 3.32Å; S853-T862 PolarHBondContact N-O 3.41Å; S853-T862 PolarHBondContact O-N 3.25Å; N855-T862 PolarHBondContact ND2-OG1 3.48Å; N855-T862 PolarHBondContact OD1-OG1 2.98Å |
| 863 | I | 90.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.7 | 173.7 | -53.3 | 177.5 | 0 | 0 | 0 | 108.3 | S764 E765 I767 F810 L824 Y825 I852 L865 | S764-I863 CarbonylContact C-O 3.53Å; S764-I863 WeakPolarHBondContact CA-O 3.45Å; E765-I863 PolarHBondContact N-O 3.21Å; E765-I863 PolarHBondContact O-N 3.48Å; I767-I863 HydrophobicContact CD1-CD1 3.51Å; I767-I863 HydrophobicContact CD1-CG1 4.02Å; F810-I863 HydrophobicContact CD1-CD1 3.76Å; F810-I863 HydrophobicContact CD1-CG1 4.2Å; F810-I863 HydrophobicContact CE1-CD1 3.86Å; F810-I863 HydrophobicContact CE1-CG1 4.15Å; L824-I863 HydrophobicContact CD1-CD1 4.36Å; L824-I863 HydrophobicContact CD1-CG2 4.46Å; L824-I863 HydrophobicContact CG-CD1 4.19Å; Y825-I863 HydrophobicContact CD1-CD1 4.4Å; I852-I863 HydrophobicContact CG1-CG2 4.37Å; I863-L865 HydrophobicContact CG2-CD2 3.84Å; I863-L865 HydrophobicContact CG2-CG 4.39Å |
| 864 | T | 91.7 | Very high | 86.5 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.6 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | Y762 S764 D850 S851 | Y762-T864 HydrophobicContact CD1-CG2 4.37Å; S764-T864 PolarHBondContact OG-OG1 3.47Å; D850-T864 HydrophobicContact CB-CG2 4.38Å; D850-T864 WeakPolarHBondContact CB-O 3.27Å; D850-T864 PolarHBondContact N-O 2.96Å; S851-T864 PolarHBondContact N-O 2.74Å; S851-T864 PolarHBondContact O-N 3.31Å; S851-T864 WeakPolarHBondContact OG-CB 3.5Å |
| 865 | L | 93.2 | Very high | 87 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.7 | -179.9 | -58.6 | -178.9 | 0 | 0 | 0 | 110.5 | Y762 K763 L817 L824 Y840 A847 Y848 V849 I863 L867 | Y762-L865 CarbonylContact C-O 3.58Å; Y762-L865 VanDerWaalsContact CA-O 3.28Å; Y762-L865 WeakPolarHBondContact CA-O 3.34Å; K763-L865 PolarHBondContact N-O 3.05Å; K763-L865 PolarHBondContact O-N 3.05Å; L817-L865 HydrophobicContact CD1-CD2 3.62Å; L824-L865 HydrophobicContact CD1-CD1 4.35Å; L824-L865 HydrophobicContact CD1-CD2 4.26Å; Y840-L865 HydrophobicContact CD2-CD1 4.06Å; Y840-L865 HydrophobicContact CE2-CD1 3.52Å; A847-L865 HydrophobicContact CB-CB 4.28Å; A847-L865 HydrophobicContact CB-CD1 4.42Å; Y848-L865 CarbonylContact O-C 3.54Å; Y848-L865 WeakPolarHBondContact O-CA 3.3Å; V849-L865 HydrophobicContact CG2-CD2 4.4Å; I863-L865 HydrophobicContact CG2-CD2 3.84Å; I863-L865 HydrophobicContact CG2-CG 4.39Å; L865-L867 HydrophobicContact CB-CD1 4.26Å |
| 866 | R | 92.8 | Very high | 87.8 | Confident | 97 Ų | 97 | 43.1 Ų | 43.1 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.1 | 173.5 | -178.7 | -177.3 | 71.1 | 171.4 | 0.8 | 110 | C760 Y762 Y848 D850 | C760-R866 HydrophobicContact CB-CG 4.23Å; Y762-R866 HydrophobicContact CD1-CB 4.14Å; Y762-R866 HydrophobicContact CD1-CG 4.35Å; Y762-R866 HydrophobicContact CE1-CB 4.02Å; Y762-R866 HydrophobicContact CE1-CG 3.89Å; Y848-R866 PolarHBondContact N-O 3.42Å; Y848-R866 PolarHBondContact O-N 2.96Å; D850-R866 HydrophobicContact CB-CB 4.12Å |
| 867 | L | 92.3 | Very high | 89 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 106.4 | 177.2 | -62.4 | 90.4 | 0 | 0 | 0 | 109.1 | C760 I761 K763 Q845 A847 L865 | C760-L867 CarbonylContact C-O 3.56Å; C760-L867 VanDerWaalsContact CA-O 3.31Å; C760-L867 WeakPolarHBondContact CA-O 3.42Å; I761-L867 HydrophobicContact CB-CB 4.38Å; I761-L867 PolarHBondContact N-O 3.01Å; I761-L867 PolarHBondContact O-N 3.34Å; K763-L867 HydrophobicContact CB-CD1 3.94Å; Q845-L867 HydrophobicContact CB-CD2 4.28Å; A847-L867 HydrophobicContact CB-CG 4.13Å; L865-L867 HydrophobicContact CB-CD1 4.26Å |
| 868 | P | 91.6 | Very high | 89.9 | Confident | 63 Ų | 63 | 37.2 Ų | 37.2 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.5 | 175.9 | 28.2 | -33.3 | 0 | 0 | 0 | 110.7 | Y848 | Y848-P868 HydrophobicContact CD2-CG 4.35Å; Y848-P868 HydrophobicContact CE2-CG 3.95Å |
| 869 | R | 89.4 | Confident | 90.5 | Very high | 25 Ų | 25 | 30 Ų | 30 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 90.3 | -178.9 | -62.4 | -59.9 | -177.3 | 169.3 | 7.6 | 109.4 | A759 I761 Q845 R996 M1000 D1003 | A759-R869 HydrophobicContact CB-CB 4.38Å; A759-R869 PolarHBondContact N-O 3.07Å; A759-R869 CarbonylContact O-C 3.49Å; A759-R869 WeakPolarHBondContact O-CA 3.42Å; A759-R869 PolarHBondContact O-N 3.2Å; A759-R869 VanDerWaalsContact O-O 3.11Å; I761-R869 HydrophobicContact CD1-CG 4.1Å; I761-R869 HydrophobicContact CG1-CG 4Å; Q845-R869 VanDerWaalsContact CD-NH1 3.3Å; R869-R996 PolarHBondContact O-NH1 3.34Å; R869-M1000 HydrophobicContact CB-SD 3.88Å; R869-M1000 HydrophobicContact CG-CE 3.89Å; R869-M1000 HydrophobicContact CG-SD 3.69Å; R869-D1003 IonicContact NH2-OD1 3.19Å; R869-D1003 PolarHBondContact NH2-OD1 3.19Å |
| 870 | Q | 87.9 | Confident | 91.1 | Very high | 134 Ų | 134 | 29.3 Ų | 29.3 | 63% | 0.626 | 15% | 0.15 | S | C | * | . | trans | -69 | 151.9 | 164.8 | -67.7 | -169.5 | -32.4 | 0 | 0 | 109.8 | Y752 D872 R996 | Y752-Q870 HydrophobicContact CE2-CB 4.02Å; Y752-Q870 PolarHBondContact OH-OE1 3Å; Q870-D872 PolarHBondContact O-N 3.45Å; Q870-R996 PolarHBondContact O-NH2 2.96Å | ||
| 871 | P | 87 | Confident | 91.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | trans | -50.6 | 122.7 | 167.7 | -29.6 | 35.7 | 0 | 0 | 0 | 111.5 | Y752 L756 A757 Y877 | Y752-P871 HydrophobicContact CD2-CB 3.67Å; Y752-P871 HydrophobicContact CD2-CG 3.81Å; Y752-P871 HydrophobicContact CE2-CB 3.77Å; Y752-P871 HydrophobicContact CE2-CG 4.01Å; Y752-P871 WeakPolarHBondContact CE2-O 3.42Å; L756-P871 WeakPolarHBondContact O-CG 3.47Å; A757-P871 HydrophobicContact CB-CG 4.22Å; P871-Y877 WeakPolarHBondContact CB-OH 3.38Å | ||
| 872 | D | 86.1 | Confident | 91.6 | Very high | 85 Ų | 85 | 28.7 Ų | 28.7 | 46% | 0.455 | 15% | 0.147 | S | C | . | . | trans | -111.1 | 165.1 | 175.6 | -152.5 | -9.6 | 0 | 0 | 0 | 111.2 | Q870 G874 D875 N887 | Q870-D872 PolarHBondContact O-N 3.45Å; D872-G874 PolarHBondContact O-N 3.32Å; D872-D875 PolarHBondContact N-OD2 3.09Å; D872-D875 VanDerWaalsContact N-OD2 3.16Å; D872-D875 WeakPolarHBondContact O-CB 3.4Å; D872-D875 PolarHBondContact O-N 2.9Å; D872-N887 PolarHBondContact O-ND2 2.84Å; D872-N887 VanDerWaalsContact O-ND2 3.15Å | ||
| 873 | I | 91.3 | Very high | 91.7 | Very high | 82 Ų | 82 | 28.4 Ų | 28.4 | 42% | 0.421 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 132.8 | 169.9 | -64.3 | 173.4 | 0 | 0 | 0 | 108.4 | D875 S888 L890 V1001 | I873-D875 VanDerWaalsContact C-N 3.34Å; I873-S888 WeakPolarHBondContact CG2-O 3.12Å; I873-L890 HydrophobicContact CG1-CG 4.46Å; I873-V1001 WeakPolarHBondContact O-CG2 3.49Å |
| 874 | G | 90.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -3.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | D872 I886 N887 V1001 | D872-G874 PolarHBondContact O-N 3.32Å; G874-I886 VanDerWaalsContact CA-CG2 3.5Å; G874-N887 PolarHBondContact N-O 3.3Å; G874-V1001 VanDerWaalsContact O-CG2 3.26Å; G874-V1001 WeakPolarHBondContact O-CG2 3.47Å |
| 875 | D | 92.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | trans | -64.3 | 153.4 | 168.5 | -84.1 | -7.6 | 0 | 0 | 0 | 111.2 | D872 I873 Y877 I886 N887 R996 M1000 V1001 | D872-D875 PolarHBondContact N-OD2 3.09Å; D872-D875 VanDerWaalsContact N-OD2 3.16Å; D872-D875 WeakPolarHBondContact O-CB 3.4Å; D872-D875 PolarHBondContact O-N 2.9Å; I873-D875 VanDerWaalsContact C-N 3.34Å; D875-Y877 HydrophobicContact CB-CE2 4.01Å; D875-I886 WeakPolarHBondContact O-CA 3.4Å; D875-N887 PolarHBondContact O-N 3.34Å; D875-R996 IonicContact OD2-CZ 3.97Å; D875-R996 IonicContact OD2-NE 2.72Å; D875-R996 IonicContact OD2-NH2 2.74Å; D875-R996 PolarHBondContact OD2-NH2 3.33Å; D875-M1000 VanDerWaalsContact OD1-CA 3.3Å; D875-M1000 WeakPolarHBondContact OD1-CA 3.5Å; D875-M1000 VanDerWaalsContact OD1-CB 3.29Å; D875-M1000 WeakPolarHBondContact OD1-CB 3.42Å; D875-V1001 PolarHBondContact OD1-N 3.45Å | ||
| 876 | K | 93.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.8 | -172.6 | -68.2 | 157.6 | 176.1 | 179.3 | 0 | 111.4 | G885 I886 L997 | K876-G885 WeakPolarHBondContact CA-O 3.45Å; K876-I886 HydrophobicContact CG-CG1 4.07Å; K876-L997 HydrophobicContact CB-CB 4.09Å; K876-L997 HydrophobicContact CB-CD1 3.9Å; K876-L997 HydrophobicContact CB-CG 4.27Å; K876-L997 PolarHBondContact O-N 3.26Å |
| 877 | Y | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.1 | 175.1 | -61.7 | -90.9 | 0 | 0 | 0 | 109.3 | F727 M745 I747 A757 P871 D875 K884 G885 N887 Q995 R996 | F727-Y877 HydrophobicContact CE1-CD1 4.46Å; F727-Y877 HydrophobicContact CE1-CE1 4.48Å; F727-Y877 HydrophobicContact CZ-CD1 4.15Å; F727-Y877 HydrophobicContact CZ-CE1 4.29Å; M745-Y877 HydrophobicContact SD-CD2 4.05Å; M745-Y877 HydrophobicContact SD-CG 4.11Å; I747-Y877 HydrophobicContact CD1-CD2 4.23Å; I747-Y877 HydrophobicContact CD1-CE2 3.74Å; A757-Y877 HydrophobicContact CB-CE1 3.79Å; P871-Y877 WeakPolarHBondContact CB-OH 3.38Å; D875-Y877 HydrophobicContact CB-CE2 4.01Å; Y877-K884 CarbonylContact O-C 3.57Å; Y877-K884 WeakPolarHBondContact O-CA 3.26Å; Y877-G885 PolarHBondContact N-O 2.89Å; Y877-G885 PolarHBondContact O-N 3.36Å; Y877-G885 VanDerWaalsContact O-O 3.08Å; Y877-N887 HydrophobicContact CD2-CB 4.35Å; Y877-N887 HydrophobicContact CE2-CB 3.99Å; Y877-Q995 CarbonylContact C-O 3.55Å; Y877-Q995 VanDerWaalsContact CA-O 3.27Å; Y877-Q995 WeakPolarHBondContact CA-O 3.18Å; Y877-R996 HydrophobicContact CD1-CB 3.98Å; Y877-R996 HydrophobicContact CD1-CG 4.07Å; Y877-R996 HydrophobicContact CE1-CB 3.75Å; Y877-R996 HydrophobicContact CE1-CG 3.51Å; Y877-R996 PolarHBondContact OH-NE 2.97Å |
| 878 | S | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.7 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | Q883 Q995 | S878-Q883 WeakPolarHBondContact CA-O 3.48Å; S878-Q995 PolarHBondContact N-O 3.04Å; S878-Q995 WeakPolarHBondContact O-CB 3.35Å; S878-Q995 PolarHBondContact O-N 3.32Å |
| 879 | S | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 177 | 159.8 | 76.9 | 0 | 0 | 0 | 0 | 110 | Q676 H881 Q883 M923 | Q676-S879 PolarHBondContact OE1-O 3.06Å; S879-H881 PolarHBondContact O-N 2.78Å; S879-H881 PolarHBondContact OG-N 3.41Å; S879-Q883 PolarHBondContact N-O 3.33Å; S879-Q883 VanDerWaalsContact OG-CB 3.22Å; S879-Q883 WeakPolarHBondContact OG-CB 3.41Å; S879-M923 PolarHBondContact OG-SD 3.19Å |
| 880 | R | 95.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 11.7 | 172.5 | -69.7 | -171.5 | -63.8 | 170.7 | -7.7 | 114.9 | P663 Q676 V710 E926 Y993 | P663-R880 HydrophobicContact CG-CB 4.16Å; Q676-R880 VanDerWaalsContact CD-CA 3.45Å; Q676-R880 VanDerWaalsContact CD-O 3.31Å; Q676-R880 WeakPolarHBondContact CG-O 3.45Å; V710-R880 PolarHBondContact O-NH1 3.19Å; V710-R880 VanDerWaalsContact O-NH1 3.08Å; V710-R880 PolarHBondContact O-NH2 3.25Å; R880-E926 IonicContact CZ-OE1 3.71Å; R880-E926 IonicContact NE-OE1 2.56Å; R880-E926 IonicContact NH2-OE1 2.79Å; R880-E926 PolarHBondContact NH2-OE1 3.22Å; R880-Y993 HydrophobicContact CG-CD1 3.91Å |
| 881 | H | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 19.9 | -177.7 | -62.2 | -86 | 0 | 0 | 0 | 112.9 | P663 N668 R672 S879 Q883 T920 G922 M923 E926 | P663-H881 PolarHBondContact O-CE1 3.3Å; N668-H881 PolarHBondContact ND2-ND1 3.43Å; N668-H881 PolarHBondContact OD1-ND1 2.84Å; R672-H881 WeakPolarHBondContact CB-O 3.12Å; S879-H881 PolarHBondContact O-N 2.78Å; S879-H881 PolarHBondContact OG-N 3.41Å; H881-Q883 PolarHBondContact O-N 2.95Å; H881-T920 HydrophobicContact CB-CG2 4.23Å; H881-T920 WeakPolarHBondContact O-CG2 3.27Å; H881-G922 PolarHBondContact CE1-O 3.25Å; H881-M923 HydrophobicContact CB-CB 4.05Å; H881-M923 VanDerWaalsContact CD2-CA 3.47Å; H881-M923 WeakPolarHBondContact CD2-CA 3.47Å; H881-M923 VanDerWaalsContact CD2-CB 3.49Å; H881-M923 WeakPolarHBondContact CD2-CB 3.34Å; H881-M923 PolarHBondContact CE1-N 3.34Å; H881-M923 VanDerWaalsContact CE1-N 3.34Å; H881-M923 PolarHBondContact ND1-N 2.87Å; H881-M923 WeakPolarHBondContact NE2-CA 3.36Å; H881-E926 IonicContact CD2-OE2 2.81Å; H881-E926 PolarHBondContact CD2-OE2 3.16Å; H881-E926 VanDerWaalsContact CD2-OE2 3.32Å; H881-E926 IonicContact NE2-OE2 3.27Å; H881-E926 PolarHBondContact NE2-OE2 3.38Å |
| 882 | G | 91.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 8% | 0.082 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 69.5 | 17 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q676 K884 | Q676-G882 VanDerWaalsContact OE1-N 3.15Å; G882-K884 PolarHBondContact O-N 3.19Å |
| 883 | Q | 90.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -87.1 | 81.1 | 176.9 | -152.9 | 79.3 | -8.3 | 0 | 0 | 109.5 | S878 S879 H881 F910 G914 R918 T920 M923 | S878-Q883 WeakPolarHBondContact CA-O 3.48Å; S879-Q883 PolarHBondContact N-O 3.33Å; S879-Q883 VanDerWaalsContact OG-CB 3.22Å; S879-Q883 WeakPolarHBondContact OG-CB 3.41Å; H881-Q883 PolarHBondContact O-N 2.95Å; Q883-F910 HydrophobicContact CG-CE1 4.46Å; Q883-F910 HydrophobicContact CG-CE2 3.88Å; Q883-F910 HydrophobicContact CG-CZ 3.7Å; Q883-G914 PolarHBondContact NE2-O 3.26Å; Q883-R918 VanDerWaalsContact NE2-CD 3.33Å; Q883-T920 PolarHBondContact OE1-OG1 3.03Å; Q883-M923 HydrophobicContact CB-SD 3.94Å; Q883-M923 HydrophobicContact CG-SD 4.07Å | ||
| 884 | K | 90.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 28.2 Ų | 28.2 | 26% | 0.261 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.4 | 173.9 | 175.6 | 179.1 | 153.6 | -109.9 | 0 | 109.4 | M679 Y877 G882 L997 | M679-K884 HydrophobicContact SD-CD 4.44Å; Y877-K884 CarbonylContact O-C 3.57Å; Y877-K884 WeakPolarHBondContact O-CA 3.26Å; G882-K884 PolarHBondContact O-N 3.19Å; K884-L997 HydrophobicContact CD-CD1 4.2Å; K884-L997 HydrophobicContact CG-CD1 4.35Å |
| 885 | G | 89.8 | Confident | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D743 K876 Y877 | D743-G885 CarbonylContact O-C 3.57Å; D743-G885 WeakPolarHBondContact O-CA 3.48Å; K876-G885 WeakPolarHBondContact CA-O 3.45Å; Y877-G885 PolarHBondContact N-O 2.89Å; Y877-G885 PolarHBondContact O-N 3.36Å; Y877-G885 VanDerWaalsContact O-O 3.08Å |
| 886 | I | 93.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.4 | -173.4 | -61.2 | 172.5 | 0 | 0 | 0 | 107.4 | D743 A744 M745 G874 D875 K876 S888 | D743-I886 PolarHBondContact O-N 3.48Å; A744-I886 CarbonylContact C-O 3.39Å; A744-I886 WeakPolarHBondContact CA-O 3.28Å; M745-I886 PolarHBondContact N-O 3.11Å; G874-I886 VanDerWaalsContact CA-CG2 3.5Å; D875-I886 WeakPolarHBondContact O-CA 3.4Å; K876-I886 HydrophobicContact CG-CG1 4.07Å; I886-S888 PolarHBondContact O-N 3.46Å |
| 887 | N | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 109.6 | 172.5 | 178.8 | 30.1 | 0 | 0 | 0 | 109.3 | M745 I747 D872 G874 D875 Y877 L889 | M745-N887 WeakPolarHBondContact O-CA 3.39Å; I747-N887 HydrophobicContact CD1-CB 3.97Å; D872-N887 PolarHBondContact O-ND2 2.84Å; D872-N887 VanDerWaalsContact O-ND2 3.15Å; G874-N887 PolarHBondContact N-O 3.3Å; D875-N887 PolarHBondContact O-N 3.34Å; Y877-N887 HydrophobicContact CD2-CB 4.35Å; Y877-N887 HydrophobicContact CE2-CB 3.99Å; N887-L889 PolarHBondContact OD1-O 3.34Å |
| 888 | S | 93.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 34 Ų | 34 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -37.4 | -177.1 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | Y739 M745 I873 I886 | Y739-S888 WeakPolarHBondContact O-CB 3.47Å; Y739-S888 PolarHBondContact O-OG 2.92Å; M745-S888 PolarHBondContact O-N 3.31Å; M745-S888 PolarHBondContact O-OG 3.24Å; I873-S888 WeakPolarHBondContact CG2-O 3.12Å; I886-S888 PolarHBondContact O-N 3.46Å |
| 889 | L | 92.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 34 Ų | 34 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.2 | -173.9 | -173.8 | 65.8 | 0 | 0 | 0 | 110.5 | Y739 V746 I747 N887 | Y739-L889 HydrophobicContact CD2-CD2 3.94Å; Y739-L889 HydrophobicContact CE2-CD2 4.45Å; Y739-L889 HydrophobicContact CG-CD2 4.25Å; V746-L889 WeakPolarHBondContact CG1-O 3.49Å; V746-L889 HydrophobicContact CG2-CB 4.38Å; I747-L889 PolarHBondContact N-O 3.44Å; N887-L889 PolarHBondContact OD1-O 3.34Å |
| 890 | L | 92.9 | Very high | 93 | Very high | 37 Ų | 37 | 37 Ų | 37 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 101.5 | 164.7 | -65.3 | 176.8 | 0 | 0 | 0 | 108.3 | I747 K749 Y752 I873 | I747-L890 HydrophobicContact CB-CD2 3.88Å; I747-L890 HydrophobicContact CG2-CD2 3.95Å; K749-L890 HydrophobicContact CB-CB 4.37Å; Y752-L890 HydrophobicContact CD1-CD1 4.28Å; Y752-L890 HydrophobicContact CE1-CD1 4.37Å; Y752-L890 HydrophobicContact CG-CD1 4.35Å; Y752-L890 HydrophobicContact CG-CD2 4.34Å; I873-L890 HydrophobicContact CG1-CG 4.46Å |
| 891 | I | 92.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 142.4 | -178.2 | -173.1 | 166.9 | 0 | 0 | 0 | 110.7 | Y736 T737 V746 I747 K749 E895 M896 | Y736-I891 HydrophobicContact CD1-CD1 4.47Å; Y736-I891 HydrophobicContact CE1-CD1 4.14Å; T737-I891 HydrophobicContact CG2-CD1 3.8Å; V746-I891 HydrophobicContact CG1-CB 3.86Å; V746-I891 HydrophobicContact CG1-CG2 3.38Å; I747-I891 PolarHBondContact O-N 3.49Å; K749-I891 WeakPolarHBondContact CB-O 3.46Å; K749-I891 PolarHBondContact N-O 3.33Å; I891-E895 HydrophobicContact CD1-CB 4.04Å; I891-E895 HydrophobicContact CG1-CB 3.88Å; I891-M896 HydrophobicContact CB-SD 4.39Å; I891-M896 HydrophobicContact CD1-SD 4.16Å; I891-M896 HydrophobicContact CG1-CG 4.4Å; I891-M896 HydrophobicContact CG1-SD 4.44Å; I891-M896 HydrophobicContact CG2-CE 4.32Å; I891-M896 HydrophobicContact CG2-CG 3.58Å; I891-M896 HydrophobicContact CG2-SD 3.18Å; I891-M896 WeakPolarHBondContact CG2-SD 3.37Å |
| 892 | Q | 94.3 | Very high | 92 | Very high | 67 Ų | 67 | 45 Ų | 45 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -64.7 | 146.1 | 176.2 | -57.9 | -50.4 | -53.8 | 0 | 0 | 109.9 | E894 E895 M896 | Q892-E894 HydrophobicContact CB-CG 3.92Å; Q892-E894 PolarHBondContact O-N 3.15Å; Q892-E895 HydrophobicContact CB-CG 4.35Å; Q892-E895 PolarHBondContact O-N 3.32Å; Q892-E895 VanDerWaalsContact O-N 3.1Å; Q892-M896 PolarHBondContact O-N 3.16Å | ||
| 893 | C | 93.2 | Very high | 92 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.4 | -178.3 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | A750 I905 | A750-C893 HydrophobicContact CB-CB 3.65Å; C893-I905 WeakPolarHBondContact SG-CD1 3.47Å |
| 894 | E | 92.3 | Very high | 92 | Very high | 152 Ų | 152 | 50.3 Ų | 50.3 | 71% | 0.71 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -25.7 | 177.3 | 61.5 | -153.5 | -176.4 | 0 | 0 | 113.5 | Q892 G977 | Q892-E894 HydrophobicContact CB-CG 3.92Å; Q892-E894 PolarHBondContact O-N 3.15Å; E894-G977 CarbonylContact O-C 3.51Å; E894-G977 WeakPolarHBondContact O-CA 3.32Å |
| 895 | E | 94 | Very high | 92.3 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14 | 177.8 | -63 | 179.2 | 152.9 | 0 | 0 | 112.4 | Y736 I891 Q892 | Y736-E895 VanDerWaalsContact CE1-O 3.27Å; Y736-E895 WeakPolarHBondContact CE1-O 3.09Å; Y736-E895 PolarHBondContact OH-O 3.16Å; I891-E895 HydrophobicContact CD1-CB 4.04Å; I891-E895 HydrophobicContact CG1-CB 3.88Å; Q892-E895 HydrophobicContact CB-CG 4.35Å; Q892-E895 PolarHBondContact O-N 3.32Å; Q892-E895 VanDerWaalsContact O-N 3.1Å |
| 896 | M | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -69.6 | 144.8 | -179.5 | -78.9 | -71.2 | -88.1 | 0 | 0 | 112.2 | N748 I891 Q892 I905 P906 I909 G977 | N748-M896 HydrophobicContact CB-CE 4.05Å; I891-M896 HydrophobicContact CB-SD 4.39Å; I891-M896 HydrophobicContact CD1-SD 4.16Å; I891-M896 HydrophobicContact CG1-CG 4.4Å; I891-M896 HydrophobicContact CG1-SD 4.44Å; I891-M896 HydrophobicContact CG2-CE 4.32Å; I891-M896 HydrophobicContact CG2-CG 3.58Å; I891-M896 HydrophobicContact CG2-SD 3.18Å; I891-M896 WeakPolarHBondContact CG2-SD 3.37Å; Q892-M896 PolarHBondContact O-N 3.16Å; M896-I905 HydrophobicContact CB-CG2 3.56Å; M896-I905 HydrophobicContact CG-CG2 4.26Å; M896-P906 HydrophobicContact CE-CB 4.49Å; M896-P906 HydrophobicContact CE-CG 3.79Å; M896-P906 WeakPolarHBondContact CE-O 3.42Å; M896-I909 HydrophobicContact CE-CD1 3.94Å; M896-I909 HydrophobicContact CE-CG1 3.99Å; M896-I909 HydrophobicContact SD-CD1 3.64Å; M896-I909 HydrophobicContact SD-CG1 4.35Å; M896-G977 WeakPolarHBondContact O-CA 3.18Å |
| 897 | P | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -67.6 | 144.4 | 172.2 | 30.7 | -33.2 | 0 | 0 | 0 | 109.9 | M734 Y736 P906 I909 M974 M975 | M734-P897 HydrophobicContact SD-CB 4.2Å; M734-P897 HydrophobicContact SD-CG 3.68Å; Y736-P897 HydrophobicContact CD1-CG 4.46Å; P897-P906 HydrophobicContact CG-CG 4.49Å; P897-P906 WeakPolarHBondContact O-CD 3.41Å; P897-I909 HydrophobicContact CG-CD1 4.12Å; P897-M974 VanDerWaalsContact C-CE 3.49Å; P897-M974 HydrophobicContact CB-CE 3.9Å; P897-M974 HydrophobicContact CG-CE 4.16Å; P897-M974 VanDerWaalsContact O-CE 3.31Å; P897-M974 WeakPolarHBondContact O-CE 3.49Å; P897-M975 WeakPolarHBondContact CA-O 3.44Å | ||
| 898 | W | 94.6 | Very high | 92.7 | Very high | 99 Ų | 99 | 49 Ų | 49 | 38% | 0.375 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.6 | -178.7 | 58.6 | -89.6 | 0 | 0 | 0 | 111.3 | L904 I905 M974 M975 | W898-L904 VanDerWaalsContact CA-O 3.31Å; W898-L904 WeakPolarHBondContact CA-O 3.49Å; W898-I905 HydrophobicContact CB-CG1 3.91Å; W898-M974 CarbonylContact O-C 3.56Å; W898-M974 VanDerWaalsContact O-CA 3.25Å; W898-M974 WeakPolarHBondContact O-CA 3.06Å; W898-M975 HydrophobicContact CD2-CB 4.05Å; W898-M975 HydrophobicContact CD2-CG 4.43Å; W898-M975 HydrophobicContact CH2-CB 4.29Å; W898-M975 HydrophobicContact CH2-CG 3.79Å; W898-M975 HydrophobicContact CZ2-CB 3.7Å; W898-M975 HydrophobicContact CZ2-CG 3.66Å; W898-M975 HydrophobicContact CZ3-CG 4.23Å; W898-M975 PolarHBondContact N-O 2.74Å; W898-M975 VanDerWaalsContact N-O 3.08Å; W898-M975 PolarHBondContact O-N 3.15Å |
| 899 | S | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130 | -176.5 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | T901 N902 G903 L904 E972 | S899-T901 PolarHBondContact O-N 3.2Å; S899-N902 WeakPolarHBondContact CB-OD1 3.32Å; S899-N902 PolarHBondContact OG-OD1 2.89Å; S899-N902 VanDerWaalsContact OG-OD1 3.07Å; S899-G903 VanDerWaalsContact O-CA 3.27Å; S899-G903 WeakPolarHBondContact O-CA 3.5Å; S899-G903 PolarHBondContact O-N 2.99Å; S899-L904 PolarHBondContact N-O 2.9Å; S899-E972 WeakPolarHBondContact CB-OE2 3.28Å; S899-E972 PolarHBondContact OG-OE2 2.85Å |
| 900 | T | 89.3 | Confident | 92.8 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.9 | -179.3 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | T973 M975 | T900-T973 WeakPolarHBondContact CB-O 2.81Å; T900-T973 HydrophobicContact CG2-CG2 4.16Å; T900-T973 WeakPolarHBondContact CG2-O 3.42Å; T900-T973 PolarHBondContact N-O 3.07Å; T900-T973 PolarHBondContact OG1-O 2.8Å; T900-M975 HydrophobicContact CG2-CG 3.46Å; T900-M975 VanDerWaalsContact CG2-CG 3.46Å; T900-M975 HydrophobicContact CG2-SD 3.88Å |
| 901 | T | 85 | Confident | 92.8 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 70% | 0.699 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -37.8 | -170.1 | -31.3 | 0 | 0 | 0 | 0 | 112.3 | S899 | S899-T901 PolarHBondContact O-N 3.2Š|
| 902 | N | 86.4 | Confident | 92.7 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -3.6 | -169.9 | 53.7 | 27.5 | 0 | 0 | 0 | 113.6 | S899 L904 F966 E972 | S899-N902 WeakPolarHBondContact CB-OD1 3.32Å; S899-N902 PolarHBondContact OG-OD1 2.89Å; S899-N902 VanDerWaalsContact OG-OD1 3.07Å; N902-L904 HydrophobicContact CB-CG 4.36Å; N902-L904 PolarHBondContact O-N 2.82Å; N902-L904 WeakPolarHBondContact OD1-CB 3.36Å; N902-L904 WeakPolarHBondContact OD1-CG 3.46Å; N902-L904 PolarHBondContact OD1-N 3.32Å; N902-L904 VanDerWaalsContact OD1-N 3.14Å; N902-F966 WeakPolarHBondContact ND2-CE1 3.33Å; N902-E972 PolarHBondContact ND2-OE2 2.89Å |
| 903 | G | 90.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | trans | 70.9 | 14.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S899 | S899-G903 VanDerWaalsContact O-CA 3.27Å; S899-G903 WeakPolarHBondContact O-CA 3.5Å; S899-G903 PolarHBondContact O-N 2.99Å | ||
| 904 | L | 92 | Very high | 92.3 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | trans | -69.4 | 135 | -179.8 | -71.9 | 174.7 | 0 | 0 | 0 | 111.3 | W898 S899 N902 | W898-L904 VanDerWaalsContact CA-O 3.31Å; W898-L904 WeakPolarHBondContact CA-O 3.49Å; S899-L904 PolarHBondContact N-O 2.9Å; N902-L904 HydrophobicContact CB-CG 4.36Å; N902-L904 PolarHBondContact O-N 2.82Å; N902-L904 WeakPolarHBondContact OD1-CB 3.36Å; N902-L904 WeakPolarHBondContact OD1-CG 3.46Å; N902-L904 PolarHBondContact OD1-N 3.32Å; N902-L904 VanDerWaalsContact OD1-N 3.14Å | ||
| 905 | I | 95.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | trans | -111.2 | 125.2 | 175.5 | -52.8 | 178.9 | 0 | 0 | 0 | 106.9 | N748 C893 M896 W898 | N748-I905 WeakPolarHBondContact ND2-CG2 3.15Å; C893-I905 WeakPolarHBondContact SG-CD1 3.47Å; M896-I905 HydrophobicContact CB-CG2 3.56Å; M896-I905 HydrophobicContact CG-CG2 4.26Å; W898-I905 HydrophobicContact CB-CG1 3.91Å | ||
| 906 | P | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | trans | -67.3 | 150.6 | -178.7 | 26 | -29.3 | 0 | 0 | 0 | 111.3 | I730 A732 N748 M896 P897 M974 | I730-P906 HydrophobicContact CG2-CB 4.33Å; A732-P906 HydrophobicContact CB-CB 3.83Å; A732-P906 HydrophobicContact CB-CG 3.81Å; N748-P906 PolarHBondContact ND2-O 2.78Å; M896-P906 HydrophobicContact CE-CB 4.49Å; M896-P906 HydrophobicContact CE-CG 3.79Å; M896-P906 WeakPolarHBondContact CE-O 3.42Å; P897-P906 HydrophobicContact CG-CG 4.49Å; P897-P906 WeakPolarHBondContact O-CD 3.41Å; P906-M974 HydrophobicContact CG-CE 4.21Å | ||
| 907 | D | 95.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -77.8 | -33.9 | 173.2 | -64.1 | -53.8 | 0 | 0 | 0 | 111.3 | A729 I730 I747 N748 S751 L756 | A729-D907 HydrophobicContact CB-CB 4.32Å; I730-D907 PolarHBondContact N-OD2 3.21Å; I730-D907 PolarHBondContact O-N 3.11Å; I747-D907 WeakPolarHBondContact CA-O 3.41Å; N748-D907 PolarHBondContact N-O 3.49Å; S751-D907 WeakPolarHBondContact CB-OD1 3.16Å; S751-D907 PolarHBondContact OG-OD1 2.74Å; L756-D907 HydrophobicContact CD2-CB 4.4Å |
| 908 | L | 93.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.6 | -173.3 | -71.4 | 154.4 | 0 | 0 | 0 | 110.6 | A729 I730 V731 A732 M745 V746 I747 Y994 | A729-L908 HydrophobicContact CB-CD1 3.45Å; A729-L908 VanDerWaalsContact CB-CD1 3.45Å; I730-L908 PolarHBondContact O-N 2.74Å; V731-L908 WeakPolarHBondContact CA-O 3.36Å; V731-L908 HydrophobicContact CG1-CB 4.38Å; V731-L908 HydrophobicContact CG2-CB 4.15Å; V731-L908 HydrophobicContact CG2-CD1 4.11Å; A732-L908 PolarHBondContact N-O 3.29Å; M745-L908 HydrophobicContact CG-CD2 4.47Å; M745-L908 HydrophobicContact SD-CD2 3.77Å; V746-L908 VanDerWaalsContact O-CA 3.32Å; V746-L908 WeakPolarHBondContact O-CA 3.44Å; I747-L908 HydrophobicContact CD1-CD2 4.25Å; I747-L908 HydrophobicContact CG1-CD2 3.47Å; I747-L908 VanDerWaalsContact CG1-CD2 3.47Å; L908-Y994 HydrophobicContact CD1-CD1 4.32Å; L908-Y994 HydrophobicContact CD1-CD2 4.06Å; L908-Y994 HydrophobicContact CD1-CE1 4.49Å; L908-Y994 HydrophobicContact CD1-CE2 4.28Å; L908-Y994 HydrophobicContact CD1-CG 4.08Å |
| 909 | I | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128 | 165.1 | -63 | 172.5 | 0 | 0 | 0 | 108.6 | A732 M734 Y736 V746 M896 P897 | A732-I909 WeakPolarHBondContact O-CA 3.45Å; M734-I909 HydrophobicContact CG-CG2 3.91Å; M734-I909 WeakPolarHBondContact O-CG2 3.24Å; Y736-I909 HydrophobicContact CD1-CD1 4.06Å; V746-I909 HydrophobicContact CB-CB 4.34Å; V746-I909 PolarHBondContact N-O 2.9Å; V746-I909 PolarHBondContact O-N 2.88Å; M896-I909 HydrophobicContact CE-CD1 3.94Å; M896-I909 HydrophobicContact CE-CG1 3.99Å; M896-I909 HydrophobicContact SD-CD1 3.64Å; M896-I909 HydrophobicContact SD-CG1 4.35Å; P897-I909 HydrophobicContact CG-CD1 4.12Å |
| 910 | F | 92.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.4 | 175.2 | -174.2 | -98.4 | 0 | 0 | 0 | 110.3 | V731 A732 V733 M734 Q883 F915 | V731-F910 HydrophobicContact CG1-CB 3.9Å; A732-F910 PolarHBondContact O-N 3.39Å; V733-F910 CarbonylContact C-O 3.29Å; V733-F910 VanDerWaalsContact CA-O 3.3Å; V733-F910 WeakPolarHBondContact CA-O 3.37Å; M734-F910 PolarHBondContact N-O 2.96Å; Q883-F910 HydrophobicContact CG-CE1 4.46Å; Q883-F910 HydrophobicContact CG-CE2 3.88Å; Q883-F910 HydrophobicContact CG-CZ 3.7Å; F910-F915 HydrophobicContact CD1-CD2 4.39Å; F910-F915 AromaticContact CD1-CE2 3.6Å; F910-F915 HydrophobicContact CD1-CE2 3.6Å; F910-F915 AromaticContact CD1-CZ 3.94Å; F910-F915 HydrophobicContact CD1-CZ 3.94Å; F910-F915 AromaticContact CE1-CD2 4Å; F910-F915 HydrophobicContact CE1-CD2 4Å; F910-F915 AromaticContact CE1-CE2 3.57Å; F910-F915 HydrophobicContact CE1-CE2 3.57Å; F910-F915 AromaticContact CE1-CZ 3.9Å; F910-F915 HydrophobicContact CE1-CZ 3.9Å |
| 911 | N | 92.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | trans | -80.6 | 131.8 | -175 | -170.5 | -47.1 | 0 | 0 | 0 | 112.2 | S735 D740 H913 G914 | S735-N911 PolarHBondContact OG-ND2 2.74Å; S735-N911 PolarHBondContact OG-OD1 2.89Å; D740-N911 HydrophobicContact CB-CB 4.16Å; D740-N911 WeakPolarHBondContact O-CB 3.49Å; D740-N911 PolarHBondContact O-ND2 2.81Å; D740-N911 PolarHBondContact OD1-ND2 2.72Å; D740-N911 VanDerWaalsContact OD1-ND2 3.16Å; N911-H913 PolarHBondContact O-N 3.43Å; N911-H913 WeakPolarHBondContact OD1-CB 3.47Å; N911-H913 PolarHBondContact OD1-N 2.99Å; N911-H913 PolarHBondContact OD1-ND1 3.29Å; N911-G914 PolarHBondContact O-N 2.63Å; N911-G914 VanDerWaalsContact O-N 3.09Å | ||
| 912 | P | 92.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -60.2 | -29.1 | 179.7 | 23.1 | -34.4 | 0 | 0 | 0 | 113.8 | V733 S735 G914 F915 P916 | V733-P912 HydrophobicContact CG1-CB 3.96Å; S735-P912 WeakPolarHBondContact OG-CD 3.48Å; P912-G914 PolarHBondContact O-N 3.17Å; P912-F915 PolarHBondContact O-N 3.18Å; P912-F915 VanDerWaalsContact O-N 3.13Å; P912-P916 WeakPolarHBondContact O-CD 3.41Å |
| 913 | H | 90.7 | Very high | 92.6 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 61% | 0.611 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -64 | -13.2 | 177.9 | -58.7 | 120.7 | 0 | 0 | 0 | 113.3 | N911 F915 | N911-H913 PolarHBondContact O-N 3.43Å; N911-H913 WeakPolarHBondContact OD1-CB 3.47Å; N911-H913 PolarHBondContact OD1-N 2.99Å; N911-H913 PolarHBondContact OD1-ND1 3.29Å; H913-F915 VanDerWaalsContact C-N 3.31Å; H913-F915 PolarHBondContact O-N 3.31Å |
| 914 | G | 87.1 | Confident | 92.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -74.7 | -14.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q883 N911 P912 R918 | Q883-G914 PolarHBondContact NE2-O 3.26Å; N911-G914 PolarHBondContact O-N 2.63Å; N911-G914 VanDerWaalsContact O-N 3.09Å; P912-G914 PolarHBondContact O-N 3.17Å; G914-R918 WeakPolarHBondContact O-CB 3.39Å; G914-R918 WeakPolarHBondContact O-CD 3.17Å; G914-R918 WeakPolarHBondContact O-CG 3.38Å; G914-R918 PolarHBondContact O-NH1 3.43Å |
| 915 | F | 90.8 | Very high | 93 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -47.7 | -178.3 | -70.9 | -76.9 | 0 | 0 | 0 | 114.6 | V733 F910 P912 H913 T917 R918 M919 M923 M924 F927 | V733-F915 HydrophobicContact CG1-CD2 4.3Å; V733-F915 HydrophobicContact CG1-CE2 3.7Å; V733-F915 HydrophobicContact CG2-CE2 4.08Å; V733-F915 HydrophobicContact CG2-CZ 4.39Å; F910-F915 HydrophobicContact CD1-CD2 4.39Å; F910-F915 AromaticContact CD1-CE2 3.6Å; F910-F915 HydrophobicContact CD1-CE2 3.6Å; F910-F915 AromaticContact CD1-CZ 3.94Å; F910-F915 HydrophobicContact CD1-CZ 3.94Å; F910-F915 AromaticContact CE1-CD2 4Å; F910-F915 HydrophobicContact CE1-CD2 4Å; F910-F915 AromaticContact CE1-CE2 3.57Å; F910-F915 HydrophobicContact CE1-CE2 3.57Å; F910-F915 AromaticContact CE1-CZ 3.9Å; F910-F915 HydrophobicContact CE1-CZ 3.9Å; P912-F915 PolarHBondContact O-N 3.18Å; P912-F915 VanDerWaalsContact O-N 3.13Å; H913-F915 VanDerWaalsContact C-N 3.31Å; H913-F915 PolarHBondContact O-N 3.31Å; F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 2.69Å; F915-R918 PolarHBondContact O-N 2.92Å; F915-M919 PolarHBondContact O-N 3.26Å; F915-M923 HydrophobicContact CE1-CB 4.33Å; F915-M923 HydrophobicContact CE1-CG 4.44Å; F915-M923 HydrophobicContact CE1-SD 4.2Å; F915-M923 HydrophobicContact CZ-SD 4.38Å; F915-M924 HydrophobicContact CD1-CG 4.19Å; F915-M924 HydrophobicContact CD1-SD 4.3Å; F915-M924 HydrophobicContact CD2-SD 4.48Å; F915-M924 HydrophobicContact CE1-CG 3.9Å; F915-M924 HydrophobicContact CE1-SD 3.78Å; F915-M924 HydrophobicContact CE2-SD 3.98Å; F915-M924 HydrophobicContact CZ-CG 4.34Å; F915-M924 HydrophobicContact CZ-SD 3.6Å; F915-F927 HydrophobicContact CZ-CE2 4.38Å |
| 916 | P | 91.5 | Very high | 93 | Very high | 97 Ų | 97 | 35.9 Ų | 35.9 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.5 | -172.8 | -27.8 | 35.4 | 0 | 0 | 0 | 114.2 | P912 R918 | P912-P916 WeakPolarHBondContact O-CD 3.41Å; P916-R918 VanDerWaalsContact C-N 3.33Å |
| 917 | T | 87.8 | Confident | 93 | Very high | 103 Ų | 103 | 35.8 Ų | 35.8 | 63% | 0.632 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.4 | -179.7 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | F915 | F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 2.69Å |
| 918 | R | 90 | Very high | 93 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -25.1 | -173.2 | -64.1 | -169.1 | 175.4 | 91.5 | -3.6 | 114 | R672 D743 Q883 G914 F915 P916 T920 | R672-R918 PolarHBondContact NE-O 2.86Å; D743-R918 VanDerWaalsContact CG-NH2 3.32Å; D743-R918 IonicContact OD1-CZ 3.75Å; D743-R918 IonicContact OD1-NH2 3.74Å; D743-R918 PolarHBondContact OD1-NH2 3Å; D743-R918 IonicContact OD2-NH2 3.88Å; Q883-R918 VanDerWaalsContact NE2-CD 3.33Å; G914-R918 WeakPolarHBondContact O-CB 3.39Å; G914-R918 WeakPolarHBondContact O-CD 3.17Å; G914-R918 WeakPolarHBondContact O-CG 3.38Å; G914-R918 PolarHBondContact O-NH1 3.43Å; F915-R918 PolarHBondContact O-N 2.92Å; P916-R918 VanDerWaalsContact C-N 3.33Å; R918-T920 VanDerWaalsContact C-N 3.26Å; R918-T920 HydrophobicContact CB-CG2 4.22Å; R918-T920 PolarHBondContact O-N 3.3Å |
| 919 | M | 93.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 34.8 Ų | 34.8 | 56% | 0.562 | 19% | 0.185 | S | C | * | . | trans | 51.5 | 46.3 | 177.9 | -54.8 | 174.8 | 72.4 | 0 | 0 | 111.6 | Q669 F915 M921 | Q669-M919 PolarHBondContact N-O 2.96Å; F915-M919 PolarHBondContact O-N 3.26Å; M919-M921 VanDerWaalsContact C-N 3.32Å; M919-M921 PolarHBondContact O-N 3.34Å | ||
| 920 | T | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 61 | 179.4 | 41.4 | 0 | 0 | 0 | 0 | 110.8 | R672 H881 Q883 R918 G922 M923 | R672-T920 HydrophobicContact CB-CG2 4.05Å; R672-T920 HydrophobicContact CG-CG2 3.72Å; H881-T920 HydrophobicContact CB-CG2 4.23Å; H881-T920 WeakPolarHBondContact O-CG2 3.27Å; Q883-T920 PolarHBondContact OE1-OG1 3.03Å; R918-T920 VanDerWaalsContact C-N 3.26Å; R918-T920 HydrophobicContact CB-CG2 4.22Å; R918-T920 PolarHBondContact O-N 3.3Å; T920-G922 PolarHBondContact O-N 3.48Å; T920-M923 WeakPolarHBondContact O-CB 3.22Å; T920-M923 PolarHBondContact O-N 3.16Å; T920-M923 VanDerWaalsContact O-N 3.09Å |
| 921 | M | 94.2 | Very high | 93.3 | Very high | 106 Ų | 106 | 35.2 Ų | 35.2 | 52% | 0.522 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66 | -27.9 | -177.2 | -64.6 | -56.5 | -63.1 | 0 | 0 | 112.8 | F667 M919 M923 M924 I925 | F667-M921 HydrophobicContact CB-CB 4.49Å; F667-M921 WeakPolarHBondContact O-CB 3.34Å; M919-M921 VanDerWaalsContact C-N 3.32Å; M919-M921 PolarHBondContact O-N 3.34Å; M921-M923 PolarHBondContact O-N 3Å; M921-M924 WeakPolarHBondContact O-CB 3.39Å; M921-M924 PolarHBondContact O-N 2.94Å; M921-I925 PolarHBondContact O-N 3.34Å; M921-I925 VanDerWaalsContact O-N 3.16Å |
| 922 | G | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.5 | -31.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N668 H881 T920 I925 E926 | N668-G922 WeakPolarHBondContact OD1-CA 3.32Å; N668-G922 PolarHBondContact OD1-N 2.89Å; H881-G922 PolarHBondContact CE1-O 3.25Å; T920-G922 PolarHBondContact O-N 3.48Å; G922-I925 PolarHBondContact O-N 3.45Å; G922-E926 PolarHBondContact O-N 2.64Å |
| 923 | M | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 175.6 | -171.9 | 174.1 | 167.7 | 0 | 0 | 110.9 | S879 H881 Q883 F915 T920 M921 I925 E926 F927 V992 Y994 | S879-M923 PolarHBondContact OG-SD 3.19Å; H881-M923 HydrophobicContact CB-CB 4.05Å; H881-M923 VanDerWaalsContact CD2-CA 3.47Å; H881-M923 WeakPolarHBondContact CD2-CA 3.47Å; H881-M923 VanDerWaalsContact CD2-CB 3.49Å; H881-M923 WeakPolarHBondContact CD2-CB 3.34Å; H881-M923 PolarHBondContact CE1-N 3.34Å; H881-M923 VanDerWaalsContact CE1-N 3.34Å; H881-M923 PolarHBondContact ND1-N 2.87Å; H881-M923 WeakPolarHBondContact NE2-CA 3.36Å; Q883-M923 HydrophobicContact CB-SD 3.94Å; Q883-M923 HydrophobicContact CG-SD 4.07Å; F915-M923 HydrophobicContact CE1-CB 4.33Å; F915-M923 HydrophobicContact CE1-CG 4.44Å; F915-M923 HydrophobicContact CE1-SD 4.2Å; F915-M923 HydrophobicContact CZ-SD 4.38Å; T920-M923 WeakPolarHBondContact O-CB 3.22Å; T920-M923 PolarHBondContact O-N 3.16Å; T920-M923 VanDerWaalsContact O-N 3.09Å; M921-M923 PolarHBondContact O-N 3Å; M923-I925 VanDerWaalsContact C-N 3.27Å; M923-I925 PolarHBondContact O-N 3.39Å; M923-E926 WeakPolarHBondContact O-CA 3.19Å; M923-E926 WeakPolarHBondContact O-CB 3.35Å; M923-E926 PolarHBondContact O-N 3.05Å; M923-F927 HydrophobicContact CE-CE2 3.82Å; M923-F927 HydrophobicContact CE-CZ 4.16Å; M923-F927 HydrophobicContact CG-CD2 4.36Å; M923-F927 HydrophobicContact CG-CE2 3.96Å; M923-F927 WeakPolarHBondContact O-CD2 3.19Å; M923-F927 PolarHBondContact O-N 3.05Å; M923-V992 HydrophobicContact CE-CG1 4.35Å; M923-Y994 HydrophobicContact CE-CE2 4.27Å |
| 924 | M | 94.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 22% | 0.222 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -37 | 177.5 | -67.3 | -66.4 | -73.5 | 0 | 0 | 112 | F915 M921 F927 Y988 | F915-M924 HydrophobicContact CD1-CG 4.19Å; F915-M924 HydrophobicContact CD1-SD 4.3Å; F915-M924 HydrophobicContact CD2-SD 4.48Å; F915-M924 HydrophobicContact CE1-CG 3.9Å; F915-M924 HydrophobicContact CE1-SD 3.78Å; F915-M924 HydrophobicContact CE2-SD 3.98Å; F915-M924 HydrophobicContact CZ-CG 4.34Å; F915-M924 HydrophobicContact CZ-SD 3.6Å; M921-M924 WeakPolarHBondContact O-CB 3.39Å; M921-M924 PolarHBondContact O-N 2.94Å; M924-F927 WeakPolarHBondContact O-CB 3.3Å; M924-F927 PolarHBondContact O-N 3.21Å; M924-Y988 HydrophobicContact CE-CD1 3.75Å; M924-Y988 HydrophobicContact CE-CE1 3.51Å; M924-Y988 HydrophobicContact CE-CE2 4.4Å; M924-Y988 HydrophobicContact CE-CG 4.28Å; M924-Y988 PolarHBondContact O-OH 2.67Å; M924-Y988 HydrophobicContact SD-CD1 4.18Å; M924-Y988 HydrophobicContact SD-CE1 3.88Å |
| 925 | I | 95.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 173.3 | -59.5 | 164.8 | 0 | 0 | 0 | 110.2 | Y664 F667 M921 G922 M923 F927 L928 A929 P953 Y957 | Y664-I925 HydrophobicContact CD1-CG2 4.32Å; Y664-I925 HydrophobicContact CD2-CB 4.23Å; Y664-I925 HydrophobicContact CD2-CG2 4.02Å; Y664-I925 HydrophobicContact CE1-CG2 4.01Å; Y664-I925 HydrophobicContact CE2-CB 4.31Å; Y664-I925 HydrophobicContact CE2-CG2 3.7Å; Y664-I925 HydrophobicContact CG-CG2 4.33Å; F667-I925 HydrophobicContact CB-CD1 4.12Å; F667-I925 HydrophobicContact CD1-CD1 3.6Å; F667-I925 HydrophobicContact CD2-CD1 4.12Å; F667-I925 HydrophobicContact CE1-CD1 3.98Å; F667-I925 HydrophobicContact CE2-CD1 4.47Å; F667-I925 HydrophobicContact CG-CD1 3.67Å; F667-I925 HydrophobicContact CZ-CD1 4.41Å; M921-I925 PolarHBondContact O-N 3.34Å; M921-I925 VanDerWaalsContact O-N 3.16Å; G922-I925 PolarHBondContact O-N 3.45Å; M923-I925 VanDerWaalsContact C-N 3.27Å; M923-I925 PolarHBondContact O-N 3.39Å; I925-F927 VanDerWaalsContact C-N 3.27Å; I925-F927 PolarHBondContact O-N 2.92Å; I925-L928 PolarHBondContact O-N 3.28Å; I925-A929 WeakPolarHBondContact O-CB 3.29Å; I925-A929 PolarHBondContact O-N 3.5Å; I925-P953 HydrophobicContact CD1-CG 3.91Å; I925-P953 HydrophobicContact CG2-CB 4.17Å; I925-P953 HydrophobicContact CG2-CG 4.03Å; I925-Y957 HydrophobicContact CG2-CD2 4.39Å; I925-Y957 HydrophobicContact CG2-CE2 3.98Å |
| 926 | E | 96.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 175.9 | -169.1 | 179 | -169.9 | 0 | 0 | 112.2 | V710 R880 H881 G922 M923 L928 A929 G930 Y993 | V710-E926 HydrophobicContact CB-CG 4.24Å; V710-E926 HydrophobicContact CG1-CG 4.42Å; V710-E926 HydrophobicContact CG2-CG 4.1Å; R880-E926 IonicContact CZ-OE1 3.71Å; R880-E926 IonicContact NE-OE1 2.56Å; R880-E926 IonicContact NH2-OE1 2.79Å; R880-E926 PolarHBondContact NH2-OE1 3.22Å; H881-E926 IonicContact CD2-OE2 2.81Å; H881-E926 PolarHBondContact CD2-OE2 3.16Å; H881-E926 VanDerWaalsContact CD2-OE2 3.32Å; H881-E926 IonicContact NE2-OE2 3.27Å; H881-E926 PolarHBondContact NE2-OE2 3.38Å; G922-E926 PolarHBondContact O-N 2.64Å; M923-E926 WeakPolarHBondContact O-CA 3.19Å; M923-E926 WeakPolarHBondContact O-CB 3.35Å; M923-E926 PolarHBondContact O-N 3.05Å; E926-L928 PolarHBondContact O-N 3.23Å; E926-A929 PolarHBondContact O-N 3.28Å; E926-G930 PolarHBondContact O-N 2.61Å; E926-Y993 PolarHBondContact OE1-N 2.81Å |
| 927 | F | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 174.3 | -84.6 | -97.8 | 0 | 0 | 0 | 112.5 | V731 V733 F915 M923 M924 I925 K931 Y988 V991 V992 | V731-F927 HydrophobicContact CB-CE1 3.53Å; V731-F927 HydrophobicContact CB-CZ 3.8Å; V731-F927 HydrophobicContact CG1-CE1 3.8Å; V731-F927 HydrophobicContact CG1-CZ 3.64Å; V731-F927 WeakPolarHBondContact O-CE1 3.43Å; V733-F927 HydrophobicContact CG2-CE1 3.78Å; V733-F927 HydrophobicContact CG2-CE2 4.07Å; V733-F927 HydrophobicContact CG2-CZ 3.45Å; V733-F927 VanDerWaalsContact CG2-CZ 3.45Å; F915-F927 HydrophobicContact CZ-CE2 4.38Å; M923-F927 HydrophobicContact CE-CE2 3.82Å; M923-F927 HydrophobicContact CE-CZ 4.16Å; M923-F927 HydrophobicContact CG-CD2 4.36Å; M923-F927 HydrophobicContact CG-CE2 3.96Å; M923-F927 WeakPolarHBondContact O-CD2 3.19Å; M923-F927 PolarHBondContact O-N 3.05Å; M924-F927 WeakPolarHBondContact O-CB 3.3Å; M924-F927 PolarHBondContact O-N 3.21Å; I925-F927 VanDerWaalsContact C-N 3.27Å; I925-F927 PolarHBondContact O-N 2.92Å; F927-K931 VanDerWaalsContact O-CB 3.31Å; F927-K931 WeakPolarHBondContact O-CB 3.34Å; F927-K931 PolarHBondContact O-N 2.85Å; F927-K931 VanDerWaalsContact O-N 3.12Å; F927-Y988 HydrophobicContact CB-CD1 4.34Å; F927-Y988 HydrophobicContact CB-CE1 3.53Å; F927-Y988 HydrophobicContact CD1-CD1 4.19Å; F927-Y988 HydrophobicContact CD1-CE1 4.19Å; F927-Y988 HydrophobicContact CD2-CE1 4.08Å; F927-Y988 HydrophobicContact CG-CD1 4.17Å; F927-Y988 AromaticContact CG-CE1 3.72Å; F927-Y988 HydrophobicContact CG-CE1 3.72Å; F927-V991 PolarHBondContact O-N 3.46Å; F927-V992 HydrophobicContact CB-CG2 4.49Å; F927-V992 HydrophobicContact CD1-CG2 3.93Å; F927-V992 HydrophobicContact CD2-CG2 3.6Å; F927-V992 HydrophobicContact CE1-CG2 4.02Å; F927-V992 HydrophobicContact CE2-CG2 3.66Å; F927-V992 HydrophobicContact CG-CG2 3.71Å; F927-V992 HydrophobicContact CZ-CG2 3.86Å |
| 928 | L | 95.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.8 | -44.7 | -178.8 | -58.1 | 174.8 | 0 | 0 | 0 | 110.7 | I925 E926 K931 S932 Y957 L961 Y988 | I925-L928 PolarHBondContact O-N 3.28Å; E926-L928 PolarHBondContact O-N 3.23Å; L928-K931 PolarHBondContact O-N 3.32Å; L928-S932 WeakPolarHBondContact O-CB 3.15Å; L928-S932 PolarHBondContact O-N 3.48Å; L928-S932 PolarHBondContact O-OG 3.42Å; L928-Y957 HydrophobicContact CB-CD2 4.36Å; L928-L961 HydrophobicContact CB-CD1 4.48Å; L928-L961 HydrophobicContact CD2-CD1 3.79Å; L928-Y988 HydrophobicContact CD2-CE2 3.93Å; L928-Y988 WeakPolarHBondContact CD2-OH 3.04Å; L928-Y988 WeakPolarHBondContact CG-OH 3.43Å |
| 929 | A | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -53 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V710 I925 E926 K931 S932 A933 I940 Y957 | V710-A929 HydrophobicContact CG1-CB 4.48Å; V710-A929 HydrophobicContact CG2-CB 3.71Å; I925-A929 WeakPolarHBondContact O-CB 3.29Å; I925-A929 PolarHBondContact O-N 3.5Å; E926-A929 PolarHBondContact O-N 3.28Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 2.99Å; A929-S932 PolarHBondContact O-N 3.34Å; A929-A933 VanDerWaalsContact O-CB 3.32Å; A929-A933 WeakPolarHBondContact O-CB 3.29Å; A929-A933 PolarHBondContact O-N 3.16Å; A929-I940 HydrophobicContact CB-CD1 3.93Å; A929-I940 HydrophobicContact CB-CG2 4.22Å; A929-I940 WeakPolarHBondContact O-CD1 3.44Å; A929-Y957 HydrophobicContact CB-CD2 3.93Å; A929-Y957 HydrophobicContact CB-CE1 4.48Å; A929-Y957 HydrophobicContact CB-CE2 3.7Å; A929-Y957 HydrophobicContact CB-CG 4.44Å |
| 930 | G | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L709 E926 A934 | L709-G930 WeakPolarHBondContact CD1-O 3.3Å; E926-G930 PolarHBondContact O-N 2.61Å; G930-A934 WeakPolarHBondContact O-CB 3.03Å; G930-A934 PolarHBondContact O-N 3.09Å |
| 931 | K | 95.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 175 | -168.1 | 178.4 | -169.8 | 169.9 | 0 | 112 | F927 L928 A929 A933 A934 L935 L961 G970 E972 V989 | F927-K931 VanDerWaalsContact O-CB 3.31Å; F927-K931 WeakPolarHBondContact O-CB 3.34Å; F927-K931 PolarHBondContact O-N 2.85Å; F927-K931 VanDerWaalsContact O-N 3.12Å; L928-K931 PolarHBondContact O-N 3.32Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 2.99Å; K931-A933 VanDerWaalsContact C-N 3.31Å; K931-A933 PolarHBondContact O-N 3.5Å; K931-A934 PolarHBondContact O-N 3.43Å; K931-L935 HydrophobicContact CG-CD1 4.37Å; K931-L935 WeakPolarHBondContact O-CG 3.31Å; K931-L935 PolarHBondContact O-N 2.81Å; K931-L935 VanDerWaalsContact O-N 3.07Å; K931-L961 HydrophobicContact CB-CD2 4.29Å; K931-L961 HydrophobicContact CD-CD2 3.72Å; K931-L961 HydrophobicContact CG-CD2 3.82Å; K931-G970 PolarHBondContact NZ-O 3.22Å; K931-E972 VanDerWaalsContact CE-OE1 3.24Å; K931-E972 WeakPolarHBondContact CE-OE1 3.43Å; K931-E972 IonicContact NZ-OE1 3.92Å; K931-E972 PolarHBondContact NZ-OE1 2.78Å; K931-V989 WeakPolarHBondContact CD-O 3.36Å; K931-V989 PolarHBondContact NZ-O 3.2Å |
| 932 | S | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 177 | -56 | 0 | 0 | 0 | 0 | 111.7 | L928 A929 L935 T936 Y957 | L928-S932 WeakPolarHBondContact O-CB 3.15Å; L928-S932 PolarHBondContact O-N 3.48Å; L928-S932 PolarHBondContact O-OG 3.42Å; A929-S932 PolarHBondContact O-N 3.34Å; S932-L935 PolarHBondContact O-N 3.04Å; S932-T936 WeakPolarHBondContact O-CB 3.16Å; S932-T936 WeakPolarHBondContact O-CG2 3.27Å; S932-T936 PolarHBondContact O-N 3.27Å; S932-T936 PolarHBondContact O-OG1 2.82Å; S932-Y957 PolarHBondContact OG-O 2.82Å |
| 933 | A | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L709 A929 K931 L935 G937 N938 I940 | L709-A933 HydrophobicContact CB-CB 3.89Å; L709-A933 HydrophobicContact CD1-CB 4.47Å; A929-A933 VanDerWaalsContact O-CB 3.32Å; A929-A933 WeakPolarHBondContact O-CB 3.29Å; A929-A933 PolarHBondContact O-N 3.16Å; K931-A933 VanDerWaalsContact C-N 3.31Å; K931-A933 PolarHBondContact O-N 3.5Å; A933-L935 VanDerWaalsContact C-N 3.33Å; A933-L935 PolarHBondContact O-N 3.2Å; A933-G937 WeakPolarHBondContact O-CA 3.09Å; A933-G937 PolarHBondContact O-N 3.26Å; A933-N938 VanDerWaalsContact CA-O 3.22Å; A933-N938 WeakPolarHBondContact CA-O 3.41Å; A933-N938 WeakPolarHBondContact CB-O 3.12Å; A933-I940 HydrophobicContact CB-CD1 3.87Å; A933-I940 HydrophobicContact CB-CG1 3.99Å |
| 934 | A | 95.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 29.7 Ų | 29.7 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L709 G930 K931 V991 | L709-A934 HydrophobicContact CD1-CB 3.95Å; G930-A934 WeakPolarHBondContact O-CB 3.03Å; G930-A934 PolarHBondContact O-N 3.09Å; K931-A934 PolarHBondContact O-N 3.43Å; A934-V991 HydrophobicContact CB-CG2 4.45Å |
| 935 | L | 93.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 30.7 Ų | 30.7 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -78.4 | -43.4 | -179.6 | -67.7 | 169.7 | 0 | 0 | 0 | 112.8 | K931 S932 A933 L961 C964 F966 | K931-L935 HydrophobicContact CG-CD1 4.37Å; K931-L935 WeakPolarHBondContact O-CG 3.31Å; K931-L935 PolarHBondContact O-N 2.81Å; K931-L935 VanDerWaalsContact O-N 3.07Å; S932-L935 PolarHBondContact O-N 3.04Å; A933-L935 VanDerWaalsContact C-N 3.33Å; A933-L935 PolarHBondContact O-N 3.2Å; L935-L961 HydrophobicContact CD1-CD2 3.77Å; L935-C964 HydrophobicContact CD1-CB 3.98Å; L935-F966 HydrophobicContact CD1-CD2 3.61Å; L935-F966 HydrophobicContact CD1-CE2 3.58Å; L935-F966 HydrophobicContact CD1-CG 4.46Å; L935-F966 HydrophobicContact CD1-CZ 4.39Å; L935-F966 HydrophobicContact CD2-CD2 4.41Å; L935-F966 HydrophobicContact CD2-CE2 3.56Å; L935-F966 HydrophobicContact CD2-CZ 4.12Å; L935-F966 HydrophobicContact CG-CE2 4.22Å |
| 936 | T | 94 | Very high | 94.6 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 36% | 0.356 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -81.3 | -19.5 | -178.3 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | S932 N938 I960 | S932-T936 WeakPolarHBondContact O-CB 3.16Å; S932-T936 WeakPolarHBondContact O-CG2 3.27Å; S932-T936 PolarHBondContact O-N 3.27Å; S932-T936 PolarHBondContact O-OG1 2.82Å; T936-N938 PolarHBondContact O-N 3.49Å; T936-N938 PolarHBondContact OG1-N 2.85Å; T936-I960 HydrophobicContact CG2-CG2 3.49Å; T936-I960 VanDerWaalsContact CG2-CG2 3.49Å |
| 937 | G | 92.8 | Very high | 94.3 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | trans | 74.1 | 3.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A933 | A933-G937 WeakPolarHBondContact O-CA 3.09Å; A933-G937 PolarHBondContact O-N 3.26Å | ||
| 938 | N | 93.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 59% | 0.588 | 23% | 0.227 | S | C | * | . | trans | -94.6 | 140.2 | 178.8 | -67.3 | -35.5 | 0 | 0 | 0 | 110.9 | A933 T936 | A933-N938 VanDerWaalsContact CA-O 3.22Å; A933-N938 WeakPolarHBondContact CA-O 3.41Å; A933-N938 WeakPolarHBondContact CB-O 3.12Å; T936-N938 PolarHBondContact O-N 3.49Å; T936-N938 PolarHBondContact OG1-N 2.85Å | ||
| 939 | L | 93.1 | Very high | 93.3 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | trans | -78.2 | 140.8 | 171.6 | -61.8 | 169.8 | 0 | 0 | 0 | 109.8 | L709 | L709-L939 HydrophobicContact CD2-CD2 4.46Š| ||
| 940 | I | 95 | Very high | 92.9 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.1 | -177.3 | -67 | 177.7 | 0 | 0 | 0 | 110.8 | L709 R711 A929 A933 Y957 | L709-I940 PolarHBondContact O-N 2.89Å; R711-I940 PolarHBondContact N-O 2.92Å; A929-I940 HydrophobicContact CB-CD1 3.93Å; A929-I940 HydrophobicContact CB-CG2 4.22Å; A929-I940 WeakPolarHBondContact O-CD1 3.44Å; A933-I940 HydrophobicContact CB-CD1 3.87Å; A933-I940 HydrophobicContact CB-CG1 3.99Å; I940-Y957 HydrophobicContact CD1-CD1 4.04Å; I940-Y957 HydrophobicContact CD1-CE1 3.79Å; I940-Y957 HydrophobicContact CG2-CE1 3.85Å; I940-Y957 WeakPolarHBondContact CG2-OH 3.49Å |
| 941 | D | 95.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118 | 173.5 | -171.8 | 3.6 | 0 | 0 | 0 | 111.6 | R711 K713 T943 | R711-D941 CarbonylContact O-C 3.56Å; R711-D941 VanDerWaalsContact O-CA 3.28Å; R711-D941 WeakPolarHBondContact O-CA 3.31Å; K713-D941 WeakPolarHBondContact CE-OD2 3.09Å; D941-T943 VanDerWaalsContact OD1-CB 3.32Å; D941-T943 WeakPolarHBondContact OD1-CB 3.48Å; D941-T943 PolarHBondContact OD1-N 3.16Å; D941-T943 PolarHBondContact OD1-OG1 3.2Å |
| 942 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -111.5 | 26.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P663 Y664 V710 R711 | P663-A942 HydrophobicContact CB-CB 3.62Å; Y664-A942 HydrophobicContact CD1-CB 4.23Å; Y664-A942 HydrophobicContact CD2-CB 3.99Å; Y664-A942 HydrophobicContact CE1-CB 3.83Å; Y664-A942 HydrophobicContact CE2-CB 3.55Å; Y664-A942 HydrophobicContact CG-CB 4.3Å; Y664-A942 VanDerWaalsContact CZ-CB 3.45Å; Y664-A942 PolarHBondContact N-O 3.29Å; V710-A942 HydrophobicContact CG1-CB 3.34Å; R711-A942 PolarHBondContact O-N 3.46Å | ||
| 943 | T | 95.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | trans | -61.3 | 135 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | E652 K713 D941 Q946 W947 | E652-T943 HydrophobicContact CB-CG2 4.1Å; E652-T943 HydrophobicContact CG-CG2 3.82Å; E652-T943 WeakPolarHBondContact OE1-CG2 3.49Å; K713-T943 HydrophobicContact CB-CG2 4.49Å; K713-T943 HydrophobicContact CD-CG2 4.23Å; K713-T943 HydrophobicContact CG-CG2 4.5Å; K713-T943 WeakPolarHBondContact CG-OG1 3.26Å; K713-T943 PolarHBondContact N-OG1 3.46Å; D941-T943 VanDerWaalsContact OD1-CB 3.32Å; D941-T943 WeakPolarHBondContact OD1-CB 3.48Å; D941-T943 PolarHBondContact OD1-N 3.16Å; D941-T943 PolarHBondContact OD1-OG1 3.2Å; T943-Q946 VanDerWaalsContact CB-NE2 3.33Å; T943-Q946 WeakPolarHBondContact O-CG 3.3Å; T943-Q946 PolarHBondContact O-NE2 3.39Å; T943-W947 WeakPolarHBondContact O-CH2 3.4Å; T943-W947 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 944 | P | 93.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.019 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 162 | -178 | 22 | -31.6 | 0 | 0 | 0 | 113.7 | E652 F655 P665 D666 Q946 | E652-P944 HydrophobicContact CB-CG 3.94Å; F655-P944 HydrophobicContact CD2-CG 4.05Å; F655-P944 HydrophobicContact CE2-CB 4.21Å; F655-P944 HydrophobicContact CE2-CG 3.6Å; P665-P944 HydrophobicContact CG-CB 3.7Å; P665-P944 HydrophobicContact CG-CG 3.76Å; D666-P944 HydrophobicContact CB-CB 4.41Å; P944-Q946 PolarHBondContact O-N 2.99Å |
| 945 | F | 92.6 | Very high | 91.3 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 14.9 | 172 | -44.4 | -57.8 | 0 | 0 | 0 | 116 | P651 I654 F655 D666 | P651-F945 HydrophobicContact CB-CB 4.19Å; P651-F945 HydrophobicContact CB-CD2 3.72Å; P651-F945 HydrophobicContact CB-CE2 4.47Å; P651-F945 HydrophobicContact CB-CG 4.25Å; P651-F945 HydrophobicContact CG-CB 3.89Å; P651-F945 HydrophobicContact CG-CD2 4.08Å; P651-F945 HydrophobicContact CG-CG 4.41Å; I654-F945 HydrophobicContact CD1-CE2 4.13Å; I654-F945 HydrophobicContact CD1-CZ 4.16Å; F655-F945 AromaticContact CE2-CE2 3.59Å; F655-F945 HydrophobicContact CE2-CE2 3.59Å; F655-F945 AromaticContact CE2-CZ 3.95Å; F655-F945 HydrophobicContact CE2-CZ 3.95Å; F655-F945 HydrophobicContact CZ-CE2 4.09Å; F655-F945 AromaticContact CZ-CZ 3.97Å; F655-F945 HydrophobicContact CZ-CZ 3.97Å; D666-F945 HydrophobicContact CB-CD1 4.2Å; D666-F945 HydrophobicContact CB-CE1 4.03Å; D666-F945 PolarHBondContact OD2-N 2.82Å |
| 946 | Q | 89.7 | Confident | 91.2 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | trans | -80.3 | -23.3 | 176.2 | -66.7 | -173.2 | 90.4 | 0 | 0 | 113.5 | T943 P944 | T943-Q946 VanDerWaalsContact CB-NE2 3.33Å; T943-Q946 WeakPolarHBondContact O-CG 3.3Å; T943-Q946 PolarHBondContact O-NE2 3.39Å; P944-Q946 PolarHBondContact O-N 2.99Å | ||
| 947 | W | 90.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | trans | -106.3 | 155.2 | -173.8 | -57.2 | -83.3 | 0 | 0 | 0 | 111.5 | Y664 F667 T943 P953 | Y664-W947 HydrophobicContact CD1-CE3 4.34Å; Y664-W947 AromaticContact CD1-CH2 3.91Å; Y664-W947 HydrophobicContact CD1-CH2 3.91Å; Y664-W947 AromaticContact CD1-CZ3 3.62Å; Y664-W947 HydrophobicContact CD1-CZ3 3.62Å; Y664-W947 HydrophobicContact CE1-CE3 4.38Å; Y664-W947 AromaticContact CE1-CH2 3.35Å; Y664-W947 HydrophobicContact CE1-CH2 3.35Å; Y664-W947 AromaticContact CE1-CZ2 3.96Å; Y664-W947 HydrophobicContact CE1-CZ2 3.96Å; Y664-W947 AromaticContact CE1-CZ3 3.57Å; Y664-W947 HydrophobicContact CE1-CZ3 3.57Å; F667-W947 HydrophobicContact CE2-CE3 4.29Å; T943-W947 WeakPolarHBondContact O-CH2 3.4Å; T943-W947 WeakPolarHBondContact O-CZ3 3.46Å; W947-P953 HydrophobicContact CD2-CB 3.76Å; W947-P953 HydrophobicContact CD2-CG 4.14Å; W947-P953 HydrophobicContact CE3-CB 4.41Å; W947-P953 HydrophobicContact CG-CB 3.94Å; W947-P953 HydrophobicContact CG-CG 4.18Å; W947-P953 HydrophobicContact CZ2-CB 4.13Å | ||
| 948 | S | 85.4 | Confident | 91.2 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -108.7 | 171.2 | 169.5 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | D950 S951 | S948-D950 PolarHBondContact O-N 3.26Å; S948-D950 PolarHBondContact OG-N 2.8Å; S948-S951 CarbonylContact O-C 3.44Å; S948-S951 PolarHBondContact O-N 2.76Å; S948-S951 PolarHBondContact OG-N 2.72Å; S948-S951 PolarHBondContact OG-OG 3.42Å |
| 949 | E | 85.7 | Confident | 91.2 | Very high | 194 Ų | 194 | 60.4 Ų | 60.4 | 91% | 0.907 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.8 | 173.4 | -65.4 | -172.7 | 169.9 | 0 | 0 | 112 | ||
| 950 | D | 86.2 | Confident | 91.3 | Very high | 152 Ų | 152 | 58.3 Ų | 58.3 | 81% | 0.813 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.1 | 179.4 | -55.4 | -49.8 | 0 | 0 | 0 | 113.9 | S948 | S948-D950 PolarHBondContact O-N 3.26Å; S948-D950 PolarHBondContact OG-N 2.8Å |
| 951 | S | 87.5 | Confident | 91.2 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -135.4 | 71.8 | -176.2 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | S948 | S948-S951 CarbonylContact O-C 3.44Å; S948-S951 PolarHBondContact O-N 2.76Å; S948-S951 PolarHBondContact OG-N 2.72Å; S948-S951 PolarHBondContact OG-OG 3.42Å |
| 952 | P | 89 | Confident | 91.1 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | trans | -70.7 | 148.7 | -175.3 | 29.9 | -34.7 | 0 | 0 | 0 | 111.6 | Y954 E955 | P952-Y954 HydrophobicContact CB-CD1 3.83Å; P952-Y954 HydrophobicContact CB-CE1 3.33Å; P952-Y954 HydrophobicContact CB-CE2 4.34Å; P952-Y954 HydrophobicContact CG-CD1 4.44Å; P952-Y954 HydrophobicContact CG-CE1 3.8Å; P952-Y954 HydrophobicContact CG-CE2 3.93Å; P952-Y954 VanDerWaalsContact CG-CZ 3.49Å; P952-Y954 PolarHBondContact O-N 2.79Å; P952-Y954 VanDerWaalsContact O-N 3.09Å; P952-E955 HydrophobicContact CG-CG 4.08Å; P952-E955 PolarHBondContact O-N 3.15Å | ||
| 953 | P | 89.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.4 | -174.5 | 20.6 | -32.2 | 0 | 0 | 0 | 114.6 | Y664 F667 I925 W947 Y957 | Y664-P953 HydrophobicContact CE1-CB 4.3Å; F667-P953 HydrophobicContact CE1-CG 4.45Å; F667-P953 HydrophobicContact CE2-CG 4.22Å; F667-P953 HydrophobicContact CZ-CG 3.88Å; I925-P953 HydrophobicContact CD1-CG 3.91Å; I925-P953 HydrophobicContact CG2-CB 4.17Å; I925-P953 HydrophobicContact CG2-CG 4.03Å; W947-P953 HydrophobicContact CD2-CB 3.76Å; W947-P953 HydrophobicContact CD2-CG 4.14Å; W947-P953 HydrophobicContact CE3-CB 4.41Å; W947-P953 HydrophobicContact CG-CB 3.94Å; W947-P953 HydrophobicContact CG-CG 4.18Å; W947-P953 HydrophobicContact CZ2-CB 4.13Å; P953-Y957 HydrophobicContact CB-CE2 4.14Å; P953-Y957 WeakPolarHBondContact O-CD2 3.42Å; P953-Y957 WeakPolarHBondContact O-CE2 3.46Å |
| 954 | Y | 89.5 | Confident | 90.8 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.6 | -22.1 | -170.9 | 56.6 | -102.1 | 0 | 0 | 0 | 113.5 | P952 D956 Y957 C958 | P952-Y954 HydrophobicContact CB-CD1 3.83Å; P952-Y954 HydrophobicContact CB-CE1 3.33Å; P952-Y954 HydrophobicContact CB-CE2 4.34Å; P952-Y954 HydrophobicContact CG-CD1 4.44Å; P952-Y954 HydrophobicContact CG-CE1 3.8Å; P952-Y954 HydrophobicContact CG-CE2 3.93Å; P952-Y954 VanDerWaalsContact CG-CZ 3.49Å; P952-Y954 PolarHBondContact O-N 2.79Å; P952-Y954 VanDerWaalsContact O-N 3.09Å; Y954-D956 PolarHBondContact O-N 3.19Å; Y954-Y957 PolarHBondContact O-N 3.25Å; Y954-C958 WeakPolarHBondContact O-CB 3.14Å; Y954-C958 PolarHBondContact O-N 3.01Å; Y954-C958 PolarHBondContact O-SG 3.08Å |
| 955 | E | 91.2 | Very high | 90.6 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | -178.7 | -80.5 | -178.7 | 171.6 | 0 | 0 | 112 | P952 Y957 C958 Q959 | P952-E955 HydrophobicContact CG-CG 4.08Å; P952-E955 PolarHBondContact O-N 3.15Å; E955-Y957 VanDerWaalsContact C-N 3.3Å; E955-Y957 PolarHBondContact O-N 3.35Å; E955-C958 PolarHBondContact O-N 3.02Å; E955-Q959 PolarHBondContact O-N 2.8Å |
| 956 | D | 90.8 | Very high | 90.6 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.3 | -42.9 | 176.6 | -68.4 | -19.9 | 0 | 0 | 0 | 111.4 | Y954 Q959 I960 | Y954-D956 PolarHBondContact O-N 3.19Å; D956-Q959 PolarHBondContact O-N 2.88Å; D956-I960 VanDerWaalsContact O-CG1 3.3Å; D956-I960 WeakPolarHBondContact O-CG1 3.47Å; D956-I960 PolarHBondContact O-N 3.35Å |
| 957 | Y | 93.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 179.3 | -52.2 | -33.2 | 0 | 0 | 0 | 111.6 | Y664 I925 L928 A929 S932 I940 P953 Y954 E955 Q959 I960 L961 | Y664-Y957 WeakPolarHBondContact OH-CE2 3.35Å; Y664-Y957 PolarHBondContact OH-OH 3.07Å; I925-Y957 HydrophobicContact CG2-CD2 4.39Å; I925-Y957 HydrophobicContact CG2-CE2 3.98Å; L928-Y957 HydrophobicContact CB-CD2 4.36Å; A929-Y957 HydrophobicContact CB-CD2 3.93Å; A929-Y957 HydrophobicContact CB-CE1 4.48Å; A929-Y957 HydrophobicContact CB-CE2 3.7Å; A929-Y957 HydrophobicContact CB-CG 4.44Å; S932-Y957 PolarHBondContact OG-O 2.82Å; I940-Y957 HydrophobicContact CD1-CD1 4.04Å; I940-Y957 HydrophobicContact CD1-CE1 3.79Å; I940-Y957 HydrophobicContact CG2-CE1 3.85Å; I940-Y957 WeakPolarHBondContact CG2-OH 3.49Å; P953-Y957 HydrophobicContact CB-CE2 4.14Å; P953-Y957 WeakPolarHBondContact O-CD2 3.42Å; P953-Y957 WeakPolarHBondContact O-CE2 3.46Å; Y954-Y957 PolarHBondContact O-N 3.25Å; E955-Y957 VanDerWaalsContact C-N 3.3Å; E955-Y957 PolarHBondContact O-N 3.35Å; Y957-Q959 VanDerWaalsContact C-N 3.3Å; Y957-Q959 PolarHBondContact O-N 3.21Å; Y957-I960 PolarHBondContact O-N 2.88Å; Y957-L961 VanDerWaalsContact O-CG 3.26Å; Y957-L961 WeakPolarHBondContact O-CG 3.32Å; Y957-L961 PolarHBondContact O-N 3.07Å |
| 958 | C | 93.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | Y954 E955 L961 T962 H968 | Y954-C958 WeakPolarHBondContact O-CB 3.14Å; Y954-C958 PolarHBondContact O-N 3.01Å; Y954-C958 PolarHBondContact O-SG 3.08Å; E955-C958 PolarHBondContact O-N 3.02Å; C958-L961 PolarHBondContact O-N 3.14Å; C958-T962 PolarHBondContact O-N 2.94Å; C958-T962 PolarHBondContact O-OG1 3.27Å; C958-H968 VanDerWaalsContact CA-O 3.32Å; C958-H968 WeakPolarHBondContact CA-O 3.38Å; C958-H968 WeakPolarHBondContact CB-NE2 3.26Å; C958-H968 WeakPolarHBondContact CB-O 3.43Å; C958-H968 PolarHBondContact O-ND1 2.99Å; C958-H968 PolarHBondContact SG-O 2.9Å |
| 959 | Q | 93.9 | Very high | 91.1 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 175.6 | -170.2 | 59.1 | 42.4 | 0 | 0 | 111.3 | E955 D956 Y957 L961 T962 D963 | E955-Q959 PolarHBondContact O-N 2.8Å; D956-Q959 PolarHBondContact O-N 2.88Å; Y957-Q959 VanDerWaalsContact C-N 3.3Å; Y957-Q959 PolarHBondContact O-N 3.21Å; Q959-L961 VanDerWaalsContact C-N 3.28Å; Q959-L961 PolarHBondContact O-N 2.59Å; Q959-T962 WeakPolarHBondContact O-CA 2.93Å; Q959-T962 WeakPolarHBondContact O-CB 3.39Å; Q959-T962 PolarHBondContact O-N 3.36Å; Q959-D963 PolarHBondContact NE2-OD1 3.49Å; Q959-D963 VanDerWaalsContact O-CG 3.22Å; Q959-D963 PolarHBondContact O-N 2.93Å |
| 960 | I | 94 | Very high | 91.3 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 175.4 | -68.6 | 165 | 0 | 0 | 0 | 111.2 | T936 D956 Y957 T962 D963 C964 | T936-I960 HydrophobicContact CG2-CG2 3.49Å; T936-I960 VanDerWaalsContact CG2-CG2 3.49Å; D956-I960 VanDerWaalsContact O-CG1 3.3Å; D956-I960 WeakPolarHBondContact O-CG1 3.47Å; D956-I960 PolarHBondContact O-N 3.35Å; Y957-I960 PolarHBondContact O-N 2.88Å; I960-T962 VanDerWaalsContact C-N 3.33Å; I960-D963 PolarHBondContact O-N 2.97Å; I960-C964 WeakPolarHBondContact O-CB 2.95Å; I960-C964 PolarHBondContact O-N 2.81Å; I960-C964 PolarHBondContact O-SG 3.03Å |
| 961 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.7 | -71.8 | 171.9 | 0 | 0 | 0 | 111.8 | L928 K931 L935 Y957 C958 Q959 C964 G965 F966 | L928-L961 HydrophobicContact CB-CD1 4.48Å; L928-L961 HydrophobicContact CD2-CD1 3.79Å; K931-L961 HydrophobicContact CB-CD2 4.29Å; K931-L961 HydrophobicContact CD-CD2 3.72Å; K931-L961 HydrophobicContact CG-CD2 3.82Å; L935-L961 HydrophobicContact CD1-CD2 3.77Å; Y957-L961 VanDerWaalsContact O-CG 3.26Å; Y957-L961 WeakPolarHBondContact O-CG 3.32Å; Y957-L961 PolarHBondContact O-N 3.07Å; C958-L961 PolarHBondContact O-N 3.14Å; Q959-L961 VanDerWaalsContact C-N 3.28Å; Q959-L961 PolarHBondContact O-N 2.59Å; L961-C964 CarbonylContact O-C 3.48Å; L961-C964 PolarHBondContact O-N 3.24Å; L961-G965 PolarHBondContact O-N 3.46Å; L961-F966 HydrophobicContact CB-CB 4.21Å; L961-F966 HydrophobicContact CD2-CB 4.26Å; L961-F966 WeakPolarHBondContact O-CA 3.4Å; L961-F966 WeakPolarHBondContact O-CB 3.26Å; L961-F966 PolarHBondContact O-N 3.29Å |
| 962 | T | 93.9 | Very high | 92 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | C958 Q959 I960 C964 G965 H968 | C958-T962 PolarHBondContact O-N 2.94Å; C958-T962 PolarHBondContact O-OG1 3.27Å; Q959-T962 WeakPolarHBondContact O-CA 2.93Å; Q959-T962 WeakPolarHBondContact O-CB 3.39Å; Q959-T962 PolarHBondContact O-N 3.36Å; I960-T962 VanDerWaalsContact C-N 3.33Å; T962-C964 PolarHBondContact O-N 2.91Å; T962-G965 PolarHBondContact O-N 3.49Å; T962-H968 WeakPolarHBondContact OG1-CA 3.34Å; T962-H968 PolarHBondContact OG1-ND1 2.88Å |
| 963 | D | 93.7 | Very high | 92.3 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.4 | -31.6 | 178.6 | -62.7 | -15.4 | 0 | 0 | 0 | 111.8 | Q959 I960 G965 | Q959-D963 PolarHBondContact NE2-OD1 3.49Å; Q959-D963 VanDerWaalsContact O-CG 3.22Å; Q959-D963 PolarHBondContact O-N 2.93Å; I960-D963 PolarHBondContact O-N 2.97Å; D963-G965 VanDerWaalsContact C-N 3.27Å; D963-G965 PolarHBondContact O-N 3.13Å |
| 964 | C | 91 | Very high | 92.5 | Very high | 59 Ų | 59 | 55 Ų | 55 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.1 | 174.5 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | L935 I960 L961 T962 F966 | L935-C964 HydrophobicContact CD1-CB 3.98Å; I960-C964 WeakPolarHBondContact O-CB 2.95Å; I960-C964 PolarHBondContact O-N 2.81Å; I960-C964 PolarHBondContact O-SG 3.03Å; L961-C964 CarbonylContact O-C 3.48Å; L961-C964 PolarHBondContact O-N 3.24Å; T962-C964 PolarHBondContact O-N 2.91Å; C964-F966 HydrophobicContact CB-CD2 4.18Å |
| 965 | G | 89.3 | Confident | 92.8 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 67% | 0.67 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 13.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L961 T962 D963 | L961-G965 PolarHBondContact O-N 3.46Å; T962-G965 PolarHBondContact O-N 3.49Å; D963-G965 VanDerWaalsContact C-N 3.27Å; D963-G965 PolarHBondContact O-N 3.13Å |
| 966 | F | 91.5 | Very high | 92.9 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -87.8 | 166.9 | 169 | -75.2 | -95.6 | 0 | 0 | 0 | 110.9 | N902 L935 L961 C964 H968 E972 | N902-F966 WeakPolarHBondContact ND2-CE1 3.33Å; L935-F966 HydrophobicContact CD1-CD2 3.61Å; L935-F966 HydrophobicContact CD1-CE2 3.58Å; L935-F966 HydrophobicContact CD1-CG 4.46Å; L935-F966 HydrophobicContact CD1-CZ 4.39Å; L935-F966 HydrophobicContact CD2-CD2 4.41Å; L935-F966 HydrophobicContact CD2-CE2 3.56Å; L935-F966 HydrophobicContact CD2-CZ 4.12Å; L935-F966 HydrophobicContact CG-CE2 4.22Å; L961-F966 HydrophobicContact CB-CB 4.21Å; L961-F966 HydrophobicContact CD2-CB 4.26Å; L961-F966 WeakPolarHBondContact O-CA 3.4Å; L961-F966 WeakPolarHBondContact O-CB 3.26Å; L961-F966 PolarHBondContact O-N 3.29Å; C964-F966 HydrophobicContact CB-CD2 4.18Å; F966-H968 PolarHBondContact O-N 2.96Å; F966-E972 WeakPolarHBondContact CE1-OE1 3.2Å |
| 967 | N | 92.1 | Very high | 93 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | trans | -61.6 | 136.8 | 170.7 | -168.6 | -38 | 0 | 0 | 0 | 110.1 | W969 G970 T971 Q986 | N967-W969 PolarHBondContact O-N 3Å; N967-W969 PolarHBondContact OD1-N 3.25Å; N967-G970 PolarHBondContact O-N 3.26Å; N967-T971 WeakPolarHBondContact CB-O 3.1Å; N967-T971 PolarHBondContact ND2-OG1 2.93Å; N967-Q986 PolarHBondContact ND2-OE1 3.32Å | ||
| 968 | H | 91.5 | Very high | 92.8 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -44.1 | 176 | -169.8 | 78.3 | 0 | 0 | 0 | 112.4 | C958 T962 F966 G970 | C958-H968 VanDerWaalsContact CA-O 3.32Å; C958-H968 WeakPolarHBondContact CA-O 3.38Å; C958-H968 WeakPolarHBondContact CB-NE2 3.26Å; C958-H968 WeakPolarHBondContact CB-O 3.43Å; C958-H968 PolarHBondContact O-ND1 2.99Å; C958-H968 PolarHBondContact SG-O 2.9Å; T962-H968 WeakPolarHBondContact OG1-CA 3.34Å; T962-H968 PolarHBondContact OG1-ND1 2.88Å; F966-H968 PolarHBondContact O-N 2.96Å; H968-G970 VanDerWaalsContact C-N 3.29Å; H968-G970 PolarHBondContact O-N 3.33Å |
| 969 | W | 91.6 | Very high | 92.9 | Very high | 156 Ų | 156 | 50.7 Ų | 50.7 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 7 | -177.7 | -57 | 111.7 | 0 | 0 | 0 | 114.3 | N967 T971 Y988 | N967-W969 PolarHBondContact O-N 3Å; N967-W969 PolarHBondContact OD1-N 3.25Å; W969-T971 PolarHBondContact O-N 3.18Å; W969-Y988 WeakPolarHBondContact O-CE2 3.49Å |
| 970 | G | 90.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 72.2 | 4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K931 N967 H968 | K931-G970 PolarHBondContact NZ-O 3.22Å; N967-G970 PolarHBondContact O-N 3.26Å; H968-G970 VanDerWaalsContact C-N 3.29Å; H968-G970 PolarHBondContact O-N 3.33Å |
| 971 | T | 94.5 | Very high | 92.8 | Very high | 28 Ų | 28 | 55 Ų | 55 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | N967 W969 Q986 I987 Y988 | N967-T971 WeakPolarHBondContact CB-O 3.1Å; N967-T971 PolarHBondContact ND2-OG1 2.93Å; W969-T971 PolarHBondContact O-N 3.18Å; T971-Q986 PolarHBondContact OG1-OE1 2.93Å; T971-I987 CarbonylContact C-O 3.52Å; T971-I987 VanDerWaalsContact CA-O 3.31Å; T971-I987 WeakPolarHBondContact CA-O 3.49Å; T971-Y988 HydrophobicContact CG2-CD2 4Å |
| 972 | E | 94.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 179.1 | -68.7 | -172.5 | -145.7 | 0 | 0 | 111.3 | S899 N902 K931 F966 M974 Q986 I987 | S899-E972 WeakPolarHBondContact CB-OE2 3.28Å; S899-E972 PolarHBondContact OG-OE2 2.85Å; N902-E972 PolarHBondContact ND2-OE2 2.89Å; K931-E972 VanDerWaalsContact CE-OE1 3.24Å; K931-E972 WeakPolarHBondContact CE-OE1 3.43Å; K931-E972 IonicContact NZ-OE1 3.92Å; K931-E972 PolarHBondContact NZ-OE1 2.78Å; F966-E972 WeakPolarHBondContact CE1-OE1 3.2Å; E972-M974 PolarHBondContact O-N 3.3Å; E972-Q986 WeakPolarHBondContact O-CA 3.31Å; E972-I987 PolarHBondContact N-O 2.84Å; E972-I987 PolarHBondContact O-N 2.56Å |
| 973 | T | 94.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 60 Ų | 60 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | trans | -77.8 | 113.2 | 171.7 | -61 | 0 | 0 | 0 | 0 | 108.8 | T900 Q982 | T900-T973 WeakPolarHBondContact CB-O 2.81Å; T900-T973 HydrophobicContact CG2-CG2 4.16Å; T900-T973 WeakPolarHBondContact CG2-O 3.42Å; T900-T973 PolarHBondContact N-O 3.07Å; T900-T973 PolarHBondContact OG1-O 2.8Å; T973-Q982 VanDerWaalsContact CG2-CD 3.4Å; T973-Q982 HydrophobicContact CG2-CG 3.66Å; T973-Q982 VanDerWaalsContact CG2-NE2 3.34Å | ||
| 974 | M | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.4 | -178.3 | -60.5 | -172.7 | 81.7 | 0 | 0 | 112 | P897 W898 P906 E972 L983 I987 V989 | P897-M974 VanDerWaalsContact C-CE 3.49Å; P897-M974 HydrophobicContact CB-CE 3.9Å; P897-M974 HydrophobicContact CG-CE 4.16Å; P897-M974 VanDerWaalsContact O-CE 3.31Å; P897-M974 WeakPolarHBondContact O-CE 3.49Å; W898-M974 CarbonylContact O-C 3.56Å; W898-M974 VanDerWaalsContact O-CA 3.25Å; W898-M974 WeakPolarHBondContact O-CA 3.06Å; P906-M974 HydrophobicContact CG-CE 4.21Å; E972-M974 PolarHBondContact O-N 3.3Å; M974-L983 HydrophobicContact CB-CD1 4Å; M974-L983 WeakPolarHBondContact O-CG 3.15Å; M974-L983 PolarHBondContact O-N 3.19Å; M974-I987 HydrophobicContact CB-CG1 4.28Å; M974-I987 HydrophobicContact CG-CB 4.14Å; M974-I987 HydrophobicContact CG-CG1 4.22Å; M974-I987 HydrophobicContact SD-CB 3.67Å; M974-I987 HydrophobicContact SD-CG1 3.99Å; M974-I987 HydrophobicContact SD-CG2 3.84Å; M974-V989 HydrophobicContact SD-CG2 3.75Å |
| 975 | M | 94.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.2 | 170.5 | -63.3 | -69.2 | -79.7 | 0 | 0 | 109.4 | P897 W898 T900 G977 G980 Q982 | P897-M975 WeakPolarHBondContact CA-O 3.44Å; W898-M975 HydrophobicContact CD2-CB 4.05Å; W898-M975 HydrophobicContact CD2-CG 4.43Å; W898-M975 HydrophobicContact CH2-CB 4.29Å; W898-M975 HydrophobicContact CH2-CG 3.79Å; W898-M975 HydrophobicContact CZ2-CB 3.7Å; W898-M975 HydrophobicContact CZ2-CG 3.66Å; W898-M975 HydrophobicContact CZ3-CG 4.23Å; W898-M975 PolarHBondContact N-O 2.74Å; W898-M975 VanDerWaalsContact N-O 3.08Å; W898-M975 PolarHBondContact O-N 3.15Å; T900-M975 HydrophobicContact CG2-CG 3.46Å; T900-M975 VanDerWaalsContact CG2-CG 3.46Å; T900-M975 HydrophobicContact CG2-SD 3.88Å; M975-G977 PolarHBondContact O-N 3.45Å; M975-G980 WeakPolarHBondContact CE-O 3.47Å; M975-Q982 WeakPolarHBondContact SD-CA 3.25Å; M975-Q982 HydrophobicContact SD-CB 3.69Å; M975-Q982 HydrophobicContact SD-CG 4.25Å; M975-Q982 PolarHBondContact SD-N 2.76Å; M975-Q982 VanDerWaalsContact SD-N 3.41Å |
| 976 | S | 94.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | trans | -69.6 | 125.3 | 169.3 | 176.1 | 0 | 0 | 0 | 0 | 110 | Y736 S978 T979 G980 R981 | Y736-S976 PolarHBondContact OH-OG 3.48Å; S976-S978 VanDerWaalsContact C-N 3.29Å; S976-S978 PolarHBondContact O-N 3.21Å; S976-S978 PolarHBondContact OG-OG 2.67Å; S976-T979 VanDerWaalsContact CB-OG1 3.24Å; S976-T979 WeakPolarHBondContact CB-OG1 3.48Å; S976-T979 PolarHBondContact OG-N 2.98Å; S976-T979 PolarHBondContact OG-OG1 2.91Å; S976-G980 VanDerWaalsContact O-CA 3.24Å; S976-G980 WeakPolarHBondContact O-CA 3.46Å; S976-G980 PolarHBondContact O-N 2.52Å; S976-R981 WeakPolarHBondContact CB-O 3.47Å; S976-R981 PolarHBondContact N-O 2.8Å | ||
| 977 | G | 91.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y736 E894 M896 M975 | Y736-G977 PolarHBondContact OH-N 3.15Å; E894-G977 CarbonylContact O-C 3.51Å; E894-G977 WeakPolarHBondContact O-CA 3.32Å; M896-G977 WeakPolarHBondContact O-CA 3.18Å; M975-G977 PolarHBondContact O-N 3.45Å |
| 978 | S | 90.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -39.5 | -179 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | Y736 S976 | Y736-S978 PolarHBondContact OH-N 2.87Å; Y736-S978 VanDerWaalsContact OH-N 3.17Å; Y736-S978 PolarHBondContact OH-OG 3.09Å; S976-S978 VanDerWaalsContact C-N 3.29Å; S976-S978 PolarHBondContact O-N 3.21Å; S976-S978 PolarHBondContact OG-OG 2.67Å |
| 979 | T | 93.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -14.5 | -175.1 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | S976 R981 | S976-T979 VanDerWaalsContact CB-OG1 3.24Å; S976-T979 WeakPolarHBondContact CB-OG1 3.48Å; S976-T979 PolarHBondContact OG-N 2.98Å; S976-T979 PolarHBondContact OG-OG1 2.91Å; T979-R981 PolarHBondContact O-N 3.39Å; T979-R981 PolarHBondContact OG1-N 3.32Å |
| 980 | G | 91.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | trans | 64.6 | 14.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M975 S976 | M975-G980 WeakPolarHBondContact CE-O 3.47Å; S976-G980 VanDerWaalsContact O-CA 3.24Å; S976-G980 WeakPolarHBondContact O-CA 3.46Å; S976-G980 PolarHBondContact O-N 2.52Å | ||
| 981 | R | 94.2 | Very high | 94 | Very high | 190 Ų | 190 | 55 Ų | 55 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -99.9 | 150.1 | 177.5 | -64.3 | -176.4 | -178.7 | 176.2 | 0.3 | 110.7 | S976 T979 | S976-R981 WeakPolarHBondContact CB-O 3.47Å; S976-R981 PolarHBondContact N-O 2.8Å; T979-R981 PolarHBondContact O-N 3.39Å; T979-R981 PolarHBondContact OG1-N 3.32Å |
| 982 | Q | 94.9 | Very high | 94.1 | Very high | 124 Ų | 124 | 53.7 Ų | 53.7 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -63.2 | 137.3 | 172 | -168 | -178.7 | -48.9 | 0 | 0 | 110.1 | T973 M975 | T973-Q982 VanDerWaalsContact CG2-CD 3.4Å; T973-Q982 HydrophobicContact CG2-CG 3.66Å; T973-Q982 VanDerWaalsContact CG2-NE2 3.34Å; M975-Q982 WeakPolarHBondContact SD-CA 3.25Å; M975-Q982 HydrophobicContact SD-CB 3.69Å; M975-Q982 HydrophobicContact SD-CG 4.25Å; M975-Q982 PolarHBondContact SD-N 2.76Å; M975-Q982 VanDerWaalsContact SD-N 3.41Å |
| 983 | L | 94 | Very high | 94.3 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 149.6 | 173.5 | -62.8 | 175.1 | 0 | 0 | 0 | 110.8 | M734 M974 A985 I987 | M734-L983 HydrophobicContact CE-CD1 3.41Å; M734-L983 VanDerWaalsContact CE-CD1 3.41Å; M734-L983 HydrophobicContact CE-CD2 4.45Å; M734-L983 HydrophobicContact SD-CD1 4.32Å; M974-L983 HydrophobicContact CB-CD1 4Å; M974-L983 WeakPolarHBondContact O-CG 3.15Å; M974-L983 PolarHBondContact O-N 3.19Å; L983-A985 VanDerWaalsContact C-N 3.35Å; L983-A985 PolarHBondContact O-N 2.88Å; L983-I987 HydrophobicContact CD1-CD1 4.07Å; L983-I987 HydrophobicContact CD1-CG1 3.78Å |
| 984 | E | 92.8 | Very high | 94.3 | Very high | 208 Ų | 208 | 52.1 Ų | 52.1 | 97% | 0.972 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -64.4 | -38.5 | -176.6 | -65 | -179 | 172 | 0 | 0 | 112.8 | ||
| 985 | A | 92.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -110.4 | 152.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L983 | L983-A985 VanDerWaalsContact C-N 3.35Å; L983-A985 PolarHBondContact O-N 2.88Å |
| 986 | Q | 93.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | trans | -71.1 | 140.9 | 167.3 | -60.5 | -179.3 | -20.7 | 0 | 0 | 109.6 | N967 T971 E972 | N967-Q986 PolarHBondContact ND2-OE1 3.32Å; T971-Q986 PolarHBondContact OG1-OE1 2.93Å; E972-Q986 WeakPolarHBondContact O-CA 3.31Å | ||
| 987 | I | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.1 | -174 | -55.9 | -51.3 | 0 | 0 | 0 | 109.6 | A732 M734 T971 E972 M974 L983 V989 | A732-I987 HydrophobicContact CB-CG2 4.13Å; M734-I987 HydrophobicContact CB-CD1 3.95Å; M734-I987 HydrophobicContact CB-CG2 3.97Å; M734-I987 HydrophobicContact CE-CD1 4.13Å; M734-I987 HydrophobicContact CE-CG1 4.36Å; M734-I987 HydrophobicContact CG-CG2 4.29Å; M734-I987 HydrophobicContact SD-CD1 4.41Å; M734-I987 HydrophobicContact SD-CG1 4.21Å; M734-I987 HydrophobicContact SD-CG2 4.15Å; T971-I987 CarbonylContact C-O 3.52Å; T971-I987 VanDerWaalsContact CA-O 3.31Å; T971-I987 WeakPolarHBondContact CA-O 3.49Å; E972-I987 PolarHBondContact N-O 2.84Å; E972-I987 PolarHBondContact O-N 2.56Å; M974-I987 HydrophobicContact CB-CG1 4.28Å; M974-I987 HydrophobicContact CG-CB 4.14Å; M974-I987 HydrophobicContact CG-CG1 4.22Å; M974-I987 HydrophobicContact SD-CB 3.67Å; M974-I987 HydrophobicContact SD-CG1 3.99Å; M974-I987 HydrophobicContact SD-CG2 3.84Å; L983-I987 HydrophobicContact CD1-CD1 4.07Å; L983-I987 HydrophobicContact CD1-CG1 3.78Å; I987-V989 HydrophobicContact CB-CG2 4.37Å; I987-V989 HydrophobicContact CG2-CG2 4.01Å; I987-V989 PolarHBondContact O-N 3.33Å |
| 988 | Y | 95.4 | Very high | 94.3 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114.8 | 176.4 | -165.3 | -105.3 | 0 | 0 | 0 | 109.9 | V733 M924 F927 L928 W969 T971 | V733-Y988 HydrophobicContact CG2-CD1 4.25Å; V733-Y988 PolarHBondContact N-O 2.92Å; M924-Y988 HydrophobicContact CE-CD1 3.75Å; M924-Y988 HydrophobicContact CE-CE1 3.51Å; M924-Y988 HydrophobicContact CE-CE2 4.4Å; M924-Y988 HydrophobicContact CE-CG 4.28Å; M924-Y988 PolarHBondContact O-OH 2.67Å; M924-Y988 HydrophobicContact SD-CD1 4.18Å; M924-Y988 HydrophobicContact SD-CE1 3.88Å; F927-Y988 HydrophobicContact CB-CD1 4.34Å; F927-Y988 HydrophobicContact CB-CE1 3.53Å; F927-Y988 HydrophobicContact CD1-CD1 4.19Å; F927-Y988 HydrophobicContact CD1-CE1 4.19Å; F927-Y988 HydrophobicContact CD2-CE1 4.08Å; F927-Y988 HydrophobicContact CG-CD1 4.17Å; F927-Y988 AromaticContact CG-CE1 3.72Å; F927-Y988 HydrophobicContact CG-CE1 3.72Å; L928-Y988 HydrophobicContact CD2-CE2 3.93Å; L928-Y988 WeakPolarHBondContact CD2-OH 3.04Å; L928-Y988 WeakPolarHBondContact CG-OH 3.43Å; W969-Y988 WeakPolarHBondContact O-CE2 3.49Å; T971-Y988 HydrophobicContact CG2-CD2 4Å |
| 989 | V | 95.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.5 | -174.3 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | I730 V731 A732 K931 M974 I987 | I730-V989 HydrophobicContact CG2-CG1 3.89Å; V731-V989 WeakPolarHBondContact O-CA 3.48Å; A732-V989 HydrophobicContact CB-CG2 4.07Å; K931-V989 WeakPolarHBondContact CD-O 3.36Å; K931-V989 PolarHBondContact NZ-O 3.2Å; M974-V989 HydrophobicContact SD-CG2 3.75Å; I987-V989 HydrophobicContact CB-CG2 4.37Å; I987-V989 HydrophobicContact CG2-CG2 4.01Å; I987-V989 PolarHBondContact O-N 3.33Å |
| 990 | G | 95 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -174.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V731 | V731-G990 PolarHBondContact N-O 3.23Å; V731-G990 PolarHBondContact O-N 2.97Å |
| 991 | V | 96.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123 | -174.1 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | L709 N728 A729 I730 F927 A934 | L709-V991 HydrophobicContact CD1-CG1 3.93Å; N728-V991 HydrophobicContact CB-CG1 3.83Å; A729-V991 WeakPolarHBondContact O-CA 3.34Å; I730-V991 HydrophobicContact CG1-CG2 4.46Å; F927-V991 PolarHBondContact O-N 3.46Å; A934-V991 HydrophobicContact CB-CG2 4.45Å |
| 992 | V | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.2 | -179.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | A729 V731 M923 F927 Y994 | A729-V992 PolarHBondContact N-O 3.44Å; A729-V992 PolarHBondContact O-N 3.27Å; V731-V992 HydrophobicContact CG2-CB 4.2Å; M923-V992 HydrophobicContact CE-CG1 4.35Å; F927-V992 HydrophobicContact CB-CG2 4.49Å; F927-V992 HydrophobicContact CD1-CG2 3.93Å; F927-V992 HydrophobicContact CD2-CG2 3.6Å; F927-V992 HydrophobicContact CE1-CG2 4.02Å; F927-V992 HydrophobicContact CE2-CG2 3.66Å; F927-V992 HydrophobicContact CG-CG2 3.71Å; F927-V992 HydrophobicContact CZ-CG2 3.86Å; V992-Y994 HydrophobicContact CB-CD2 4.25Å; V992-Y994 HydrophobicContact CB-CE2 4.15Å; V992-Y994 HydrophobicContact CG1-CD2 4.01Å; V992-Y994 HydrophobicContact CG1-CE2 3.88Å; V992-Y994 PolarHBondContact O-N 3.1Å |
| 993 | Y | 97 | Very high | 92 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.4 | 176.9 | -172 | -96.6 | 0 | 0 | 0 | 111.9 | Q706 P708 L725 G726 R880 E926 Q995 | Q706-Y993 VanDerWaalsContact O-CE2 3.32Å; Q706-Y993 WeakPolarHBondContact O-CE2 3.31Å; Q706-Y993 PolarHBondContact O-OH 3.11Å; P708-Y993 HydrophobicContact CB-CD1 4.37Å; P708-Y993 HydrophobicContact CB-CD2 3.59Å; P708-Y993 HydrophobicContact CB-CE2 3.96Å; P708-Y993 HydrophobicContact CB-CG 3.77Å; P708-Y993 HydrophobicContact CG-CD2 4.41Å; P708-Y993 HydrophobicContact CG-CE2 4.31Å; L725-Y993 PolarHBondContact N-OH 3.22Å; L725-Y993 VanDerWaalsContact N-OH 3.16Å; G726-Y993 WeakPolarHBondContact CA-OH 3.41Å; G726-Y993 PolarHBondContact N-OH 2.98Å; R880-Y993 HydrophobicContact CG-CD1 3.91Å; E926-Y993 PolarHBondContact OE1-N 2.81Å; Y993-Q995 HydrophobicContact CD1-CG 4.39Å; Y993-Q995 HydrophobicContact CE1-CG 4.12Å |
| 994 | Y | 96 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 152.1 | -178.1 | -97 | -99.2 | 0 | 0 | 0 | 113.1 | G726 F727 V731 M745 L908 M923 V992 | G726-Y994 CarbonylContact C-O 3.55Å; G726-Y994 WeakPolarHBondContact CA-O 3.35Å; F727-Y994 PolarHBondContact N-O 2.9Å; F727-Y994 PolarHBondContact O-N 3.03Å; V731-Y994 HydrophobicContact CG2-CD2 4.24Å; V731-Y994 HydrophobicContact CG2-CE2 3.78Å; M745-Y994 HydrophobicContact CE-CE1 3.64Å; M745-Y994 HydrophobicContact SD-CE1 4.29Å; L908-Y994 HydrophobicContact CD1-CD1 4.32Å; L908-Y994 HydrophobicContact CD1-CD2 4.06Å; L908-Y994 HydrophobicContact CD1-CE1 4.49Å; L908-Y994 HydrophobicContact CD1-CE2 4.28Å; L908-Y994 HydrophobicContact CD1-CG 4.08Å; M923-Y994 HydrophobicContact CE-CE2 4.27Å; V992-Y994 HydrophobicContact CB-CD2 4.25Å; V992-Y994 HydrophobicContact CB-CE2 4.15Å; V992-Y994 HydrophobicContact CG1-CD2 4.01Å; V992-Y994 HydrophobicContact CG1-CE2 3.88Å; V992-Y994 PolarHBondContact O-N 3.1Å |
| 995 | Q | 95.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.5 | -176.5 | -67.9 | -177.9 | 1.2 | 0 | 0 | 110.3 | T683 Y877 S878 Y993 | T683-Q995 HydrophobicContact CG2-CB 3.6Å; T683-Q995 HydrophobicContact CG2-CG 4.05Å; T683-Q995 PolarHBondContact OG1-OE1 3.43Å; Y877-Q995 CarbonylContact C-O 3.55Å; Y877-Q995 VanDerWaalsContact CA-O 3.27Å; Y877-Q995 WeakPolarHBondContact CA-O 3.18Å; S878-Q995 PolarHBondContact N-O 3.04Å; S878-Q995 WeakPolarHBondContact O-CB 3.35Å; S878-Q995 PolarHBondContact O-N 3.32Å; Y993-Q995 HydrophobicContact CD1-CG 4.39Å; Y993-Q995 HydrophobicContact CE1-CG 4.12Å |
| 996 | R | 94.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.8 | 176.7 | -171.1 | 177.7 | 173.5 | -164.2 | 0.2 | 110.8 | T683 M684 A757 R869 Q870 D875 Y877 | T683-R996 CarbonylContact C-O 3.51Å; T683-R996 WeakPolarHBondContact CA-O 3.39Å; T683-R996 WeakPolarHBondContact CG2-O 3.41Å; M684-R996 HydrophobicContact CE-CB 4.25Å; M684-R996 HydrophobicContact CE-CG 3.51Å; M684-R996 VanDerWaalsContact CE-NE 3.26Å; M684-R996 PolarHBondContact N-O 3.15Å; A757-R996 VanDerWaalsContact O-CD 3.32Å; A757-R996 WeakPolarHBondContact O-CD 3.03Å; A757-R996 PolarHBondContact O-NH1 2.96Å; R869-R996 PolarHBondContact O-NH1 3.34Å; Q870-R996 PolarHBondContact O-NH2 2.96Å; D875-R996 IonicContact OD2-CZ 3.97Å; D875-R996 IonicContact OD2-NE 2.72Å; D875-R996 IonicContact OD2-NH2 2.74Å; D875-R996 PolarHBondContact OD2-NH2 3.33Å; Y877-R996 HydrophobicContact CD1-CB 3.98Å; Y877-R996 HydrophobicContact CD1-CG 4.07Å; Y877-R996 HydrophobicContact CE1-CB 3.75Å; Y877-R996 HydrophobicContact CE1-CG 3.51Å; Y877-R996 PolarHBondContact OH-NE 2.97Å |
| 997 | L | 94.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -86.9 | 147.9 | -176.1 | -55.4 | -176.5 | 0 | 0 | 0 | 112.4 | M679 Q682 K876 K884 H999 | M679-L997 HydrophobicContact CB-CD2 4.22Å; M679-L997 HydrophobicContact SD-CD1 3.68Å; M679-L997 HydrophobicContact SD-CD2 4.44Å; Q682-L997 HydrophobicContact CB-CD2 4.48Å; K876-L997 HydrophobicContact CB-CB 4.09Å; K876-L997 HydrophobicContact CB-CD1 3.9Å; K876-L997 HydrophobicContact CB-CG 4.27Å; K876-L997 PolarHBondContact O-N 3.26Å; K884-L997 HydrophobicContact CD-CD1 4.2Å; K884-L997 HydrophobicContact CG-CD1 4.35Å; L997-H999 VanDerWaalsContact C-N 3.33Å; L997-H999 PolarHBondContact O-N 2.82Å |
| 998 | R | 91.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 24% | 0.242 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -69.4 | -18.9 | -174.5 | 73.6 | -179 | -173.5 | 166.1 | -0.6 | 116.5 | V429 Q682 M684 Y700 M1000 | V429-R998 VanDerWaalsContact CG2-NH1 3.29Å; Q682-R998 WeakPolarHBondContact O-CB 3.39Å; Q682-R998 WeakPolarHBondContact O-CG 3.33Å; Q682-R998 PolarHBondContact O-N 3.34Å; M684-R998 HydrophobicContact CG-CB 3.83Å; Y700-R998 HydrophobicContact CD1-CB 4.19Å; Y700-R998 HydrophobicContact CE1-CB 3.9Å; R998-M1000 PolarHBondContact O-N 2.77Å |
| 999 | H | 86.9 | Confident | 89.3 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | trans | -88.4 | 84.4 | -173.3 | -73 | -56.9 | 0 | 0 | 0 | 110.8 | L997 | L997-H999 VanDerWaalsContact C-N 3.33Å; L997-H999 PolarHBondContact O-N 2.82Å | ||
| 1000 | M | 84.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | trans | -83.4 | 160.3 | -177.6 | -57.4 | 170.7 | -62.3 | 0 | 0 | 112.9 | I761 R869 D875 R998 D1003 | I761-M1000 HydrophobicContact CD1-CE 3.34Å; I761-M1000 HydrophobicContact CG1-CE 4.49Å; R869-M1000 HydrophobicContact CB-SD 3.88Å; R869-M1000 HydrophobicContact CG-CE 3.89Å; R869-M1000 HydrophobicContact CG-SD 3.69Å; D875-M1000 VanDerWaalsContact OD1-CA 3.3Å; D875-M1000 WeakPolarHBondContact OD1-CA 3.5Å; D875-M1000 VanDerWaalsContact OD1-CB 3.29Å; D875-M1000 WeakPolarHBondContact OD1-CB 3.42Å; R998-M1000 PolarHBondContact O-N 2.77Å; M1000-D1003 PolarHBondContact O-N 2.94Å | ||
| 1001 | V | 84.7 | Confident | 88.4 | Confident | 55 Ų | 55 | 54 Ų | 54 | 33% | 0.333 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -68.7 | -38.2 | 179 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | I873 G874 D875 D1003 K1004 Y1005 | I873-V1001 WeakPolarHBondContact O-CG2 3.49Å; G874-V1001 VanDerWaalsContact O-CG2 3.26Å; G874-V1001 WeakPolarHBondContact O-CG2 3.47Å; D875-V1001 PolarHBondContact OD1-N 3.45Å; V1001-D1003 PolarHBondContact O-N 3.35Å; V1001-K1004 PolarHBondContact O-N 2.85Å; V1001-Y1005 PolarHBondContact O-N 3.08Å |
| 1002 | A | 80.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -55.5 | -23.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q845 Y1005 R1024 | Q845-A1002 PolarHBondContact NE2-O 3.42Å; A1002-Y1005 WeakPolarHBondContact O-CE1 3.34Å; A1002-R1024 PolarHBondContact O-NH1 3.02Å; A1002-R1024 PolarHBondContact O-NH2 2.93Å |
| 1003 | D | 78.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -93 | 2.5 | 178.2 | -77.1 | 1.7 | 0 | 0 | 0 | 113.7 | Q845 R869 M1000 V1001 R1024 | Q845-D1003 PolarHBondContact NE2-OD1 3.48Å; R869-D1003 IonicContact NH2-OD1 3.19Å; R869-D1003 PolarHBondContact NH2-OD1 3.19Å; M1000-D1003 PolarHBondContact O-N 2.94Å; V1001-D1003 PolarHBondContact O-N 3.35Å; D1003-R1024 PolarHBondContact O-NH1 3.04Å |
| 1004 | K | 81.5 | Confident | 87.1 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -35.1 | -176.8 | -67.4 | -165.3 | 175.3 | -158.9 | 0 | 116.2 | V1001 Q1006 | V1001-K1004 PolarHBondContact O-N 2.85Å; K1004-Q1006 PolarHBondContact O-N 2.91Å |
| 1005 | Y | 82.2 | Confident | 86.7 | Confident | 100 Ų | 100 | 73.9 Ų | 73.9 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -62 | 136.8 | -174.3 | 76.8 | -84.8 | 0 | 0 | 0 | 111.8 | E844 V1001 A1002 R1024 | E844-Y1005 WeakPolarHBondContact OE2-CE2 2.95Å; E844-Y1005 PolarHBondContact OE2-OH 3.23Å; V1001-Y1005 PolarHBondContact O-N 3.08Å; A1002-Y1005 WeakPolarHBondContact O-CE1 3.34Å; Y1005-R1024 VanDerWaalsContact CD1-NH2 3.34Å; Y1005-R1024 PolarHBondContact O-NE 3.04Å; Y1005-R1024 PolarHBondContact O-NH2 3.46Å | ||
| 1006 | Q | 84.7 | Confident | 86.3 | Confident | 94 Ų | 94 | 77.9 Ų | 77.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | trans | -137.1 | 139.2 | 177.2 | 67.3 | -176.3 | 4.6 | 0 | 0 | 109.6 | K1004 R1024 | K1004-Q1006 PolarHBondContact O-N 2.91Å; Q1006-R1024 HydrophobicContact CB-CG 4.03Å | ||
| 1007 | V | 86.6 | Confident | 86 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 70% | 0.697 | 42% | 0.415 | S | S | * | . | trans | -138.1 | 141.8 | 177.4 | 63.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1008 | R | 85.2 | Confident | 85.6 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 22% | 0.219 | 43% | 0.429 | C | S | . | . | trans | -147.3 | 120.4 | 175.5 | 179.6 | -173 | 173.4 | 128.5 | -4.4 | 108.5 | G1011 R1012 P1020 G1027 | R1008-G1011 PolarHBondContact NH2-O 3.05Å; R1008-R1012 PolarHBondContact NH1-O 3.36Å; R1008-R1012 VanDerWaalsContact NH1-O 3.15Å; R1008-R1012 PolarHBondContact NH2-O 3.1Å; R1008-P1020 VanDerWaalsContact CZ-CB 3.44Å; R1008-G1027 WeakPolarHBondContact CD-O 3.46Å; R1008-G1027 PolarHBondContact NH1-O 3.42Å | ||
| 1009 | A | 87.1 | Confident | 85.5 | Confident | 104 Ų | 104 | 84.3 Ų | 84.3 | 86% | 0.86 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -91 | -66 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1010 | E | 84.6 | Confident | 85.6 | Confident | 184 Ų | 184 | 82.3 Ų | 82.3 | 86% | 0.86 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -125.4 | 165.3 | 173.6 | -63.2 | -174.9 | 169 | 0 | 0 | 110.1 | ||
| 1011 | G | 85.6 | Confident | 85.9 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | trans | 174.9 | -175.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1008 | R1008-G1011 PolarHBondContact NH2-O 3.05Š| ||
| 1012 | R | 86.2 | Confident | 86.1 | Confident | 195 Ų | 195 | 91.3 Ų | 91.3 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | trans | -59.4 | 145.1 | 178.4 | -63.2 | -178 | -175.6 | 177.4 | 3.3 | 110.9 | R1008 I1021 | R1008-R1012 PolarHBondContact NH1-O 3.36Å; R1008-R1012 VanDerWaalsContact NH1-O 3.15Å; R1008-R1012 PolarHBondContact NH2-O 3.1Å; R1012-I1021 HydrophobicContact CB-CD1 3.8Å; R1012-I1021 HydrophobicContact CB-CG1 4.33Å; R1012-I1021 PolarHBondContact O-N 3.48Å | ||
| 1013 | F | 88.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 40% | 0.395 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -126 | 156.8 | 176.4 | 57.4 | -99.2 | 0 | 0 | 0 | 110 | R1018 Q1019 | F1013-R1018 HydrophobicContact CD2-CB 4.27Å; F1013-R1018 HydrophobicContact CD2-CG 4.4Å; F1013-R1018 HydrophobicContact CE2-CG 4.31Å; F1013-Q1019 CarbonylContact C-O 3.58Å; F1013-Q1019 WeakPolarHBondContact CA-O 3.35Å; F1013-Q1019 WeakPolarHBondContact CB-O 3.38Å |
| 1014 | D | 89 | Confident | 86.2 | Confident | 57 Ų | 57 | 93.6 Ų | 93.6 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | trans | -63.8 | 125.5 | 172.4 | -179.2 | -87.6 | 0 | 0 | 0 | 109.7 | I1016 L1017 R1018 Q1019 | D1014-I1016 PolarHBondContact O-N 3.16Å; D1014-I1016 WeakPolarHBondContact OD1-CA 3.48Å; D1014-I1016 WeakPolarHBondContact OD1-CB 3.42Å; D1014-I1016 PolarHBondContact OD1-N 3.29Å; D1014-L1017 HydrophobicContact CB-CB 4.44Å; D1014-L1017 PolarHBondContact OD1-N 2.91Å; D1014-R1018 WeakPolarHBondContact O-CA 3.13Å; D1014-R1018 PolarHBondContact O-N 3.44Å; D1014-Q1019 PolarHBondContact N-O 3.21Å | ||
| 1015 | P | 87.2 | Confident | 86 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 68% | 0.682 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -173.2 | 24.9 | -33.8 | 0 | 0 | 0 | 113.7 | ||
| 1016 | I | 87 | Confident | 85.8 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -57.9 | -178.4 | -58.7 | 174.1 | 0 | 0 | 0 | 109.5 | D1014 Y1136 | D1014-I1016 PolarHBondContact O-N 3.16Å; D1014-I1016 WeakPolarHBondContact OD1-CA 3.48Å; D1014-I1016 WeakPolarHBondContact OD1-CB 3.42Å; D1014-I1016 PolarHBondContact OD1-N 3.29Å; I1016-Y1136 HydrophobicContact CG2-CD2 3.72Å; I1016-Y1136 HydrophobicContact CG2-CE2 3.94Å; I1016-Y1136 HydrophobicContact CG2-CG 4.14Å |
| 1017 | L | 88.4 | Confident | 85.5 | Confident | 55 Ų | 55 | 92.9 Ų | 92.9 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13 | -174.1 | -63 | 177.8 | 0 | 0 | 0 | 113.3 | D1014 Q1019 A1132 Y1136 | D1014-L1017 HydrophobicContact CB-CB 4.44Å; D1014-L1017 PolarHBondContact OD1-N 2.91Å; L1017-Q1019 HydrophobicContact CB-CB 4.38Å; L1017-Q1019 HydrophobicContact CB-CG 4.26Å; L1017-Q1019 PolarHBondContact O-N 3.09Å; L1017-A1132 WeakPolarHBondContact O-CB 3.07Å; L1017-Y1136 HydrophobicContact CD2-CD1 3.8Å; L1017-Y1136 HydrophobicContact CD2-CG 4.21Å |
| 1018 | R | 87.4 | Confident | 85.5 | Confident | 81 Ų | 81 | 87.6 Ų | 87.6 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | trans | 54.5 | 16.9 | -172.1 | -57.6 | -167.2 | 73.1 | -159.4 | 2 | 115.2 | F1013 D1014 K1060 A1132 | F1013-R1018 HydrophobicContact CD2-CB 4.27Å; F1013-R1018 HydrophobicContact CD2-CG 4.4Å; F1013-R1018 HydrophobicContact CE2-CG 4.31Å; D1014-R1018 WeakPolarHBondContact O-CA 3.13Å; D1014-R1018 PolarHBondContact O-N 3.44Å; R1018-K1060 PolarHBondContact NH1-O 2.76Å; R1018-A1132 HydrophobicContact CB-CB 4.04Å; R1018-A1132 HydrophobicContact CG-CB 4.02Å | ||
| 1019 | Q | 89 | Confident | 85.5 | Confident | 68 Ų | 68 | 86 Ų | 86 | 32% | 0.318 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -90 | 150.9 | 179 | -70.3 | 179 | -3.8 | 0 | 0 | 111.7 | F1013 D1014 L1017 I1021 D1059 | F1013-Q1019 CarbonylContact C-O 3.58Å; F1013-Q1019 WeakPolarHBondContact CA-O 3.35Å; F1013-Q1019 WeakPolarHBondContact CB-O 3.38Å; D1014-Q1019 PolarHBondContact N-O 3.21Å; L1017-Q1019 HydrophobicContact CB-CB 4.38Å; L1017-Q1019 HydrophobicContact CB-CG 4.26Å; L1017-Q1019 PolarHBondContact O-N 3.09Å; Q1019-I1021 PolarHBondContact O-N 2.59Å; Q1019-D1059 PolarHBondContact NE2-OD2 3.09Å |
| 1020 | P | 89.5 | Confident | 85.6 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 22% | 0.221 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -46.5 | 128 | 171.3 | -33.6 | 39.2 | 0 | 0 | 0 | 113.7 | R1008 N1057 | R1008-P1020 VanDerWaalsContact CZ-CB 3.44Å; P1020-N1057 WeakPolarHBondContact CD-O 3.17Å |
| 1021 | I | 90.3 | Very high | 85.8 | Confident | 43 Ų | 43 | 89 Ų | 89 | 22% | 0.221 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 155.1 | 175.9 | 61.7 | 174.1 | 0 | 0 | 0 | 111.8 | R1012 Q1019 V1026 G1028 G1029 | R1012-I1021 HydrophobicContact CB-CD1 3.8Å; R1012-I1021 HydrophobicContact CB-CG1 4.33Å; R1012-I1021 PolarHBondContact O-N 3.48Å; Q1019-I1021 PolarHBondContact O-N 2.59Å; I1021-V1026 HydrophobicContact CD1-CB 3.85Å; I1021-V1026 HydrophobicContact CD1-CG2 3.6Å; I1021-V1026 HydrophobicContact CG1-CG2 4.18Å; I1021-G1028 CarbonylContact O-C 3.58Å; I1021-G1028 WeakPolarHBondContact O-CA 3.42Å; I1021-G1029 PolarHBondContact O-N 2.73Å |
| 1022 | K | 88.2 | Confident | 86.1 | Confident | 204 Ų | 204 | 90.1 Ų | 90.1 | 89% | 0.887 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -84 | 136.9 | 175.1 | -175.2 | 179.8 | 179.3 | -178.1 | 0 | 111.1 | ||
| 1023 | G | 83.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | trans | 125.1 | 127.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1025 V1026 G1028 | G1023-K1025 PolarHBondContact O-N 3.41Å; G1023-V1026 WeakPolarHBondContact O-CG2 3Å; G1023-V1026 PolarHBondContact O-N 2.95Å; G1023-G1028 VanDerWaalsContact O-CA 3.29Å; G1023-G1028 WeakPolarHBondContact O-CA 3.34Å; G1023-G1028 PolarHBondContact O-N 3.07Å | ||
| 1024 | R | 79.8 | Confident | 86.6 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 33% | 0.332 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -55.8 | -45.9 | -177.8 | -179.5 | -179.9 | -177.6 | -120.7 | -5.5 | 113.8 | A1002 D1003 Y1005 Q1006 V1026 G1027 | A1002-R1024 PolarHBondContact O-NH1 3.02Å; A1002-R1024 PolarHBondContact O-NH2 2.93Å; D1003-R1024 PolarHBondContact O-NH1 3.04Å; Y1005-R1024 VanDerWaalsContact CD1-NH2 3.34Å; Y1005-R1024 PolarHBondContact O-NE 3.04Å; Y1005-R1024 PolarHBondContact O-NH2 3.46Å; Q1006-R1024 HydrophobicContact CB-CG 4.03Å; R1024-V1026 PolarHBondContact O-N 3.24Å; R1024-G1027 PolarHBondContact O-N 2.83Å; R1024-G1027 VanDerWaalsContact O-N 3.15Å |
| 1025 | K | 76.3 | Confident | 86.9 | Confident | 194 Ų | 194 | 87.4 Ų | 87.4 | 84% | 0.843 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -63.3 | -23.8 | -176.2 | -70.9 | -171.9 | 175.6 | -174.2 | 0 | 114.1 | G1023 | G1023-K1025 PolarHBondContact O-N 3.41Š|
| 1026 | V | 78.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 47% | 0.473 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -104 | 14.8 | -178.4 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | I1021 G1023 R1024 G1028 | I1021-V1026 HydrophobicContact CD1-CB 3.85Å; I1021-V1026 HydrophobicContact CD1-CG2 3.6Å; I1021-V1026 HydrophobicContact CG1-CG2 4.18Å; G1023-V1026 WeakPolarHBondContact O-CG2 3Å; G1023-V1026 PolarHBondContact O-N 2.95Å; R1024-V1026 PolarHBondContact O-N 3.24Å; V1026-G1028 VanDerWaalsContact C-N 3.32Å |
| 1027 | G | 78.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 86 Ų | 86 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 36.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1008 R1024 | R1008-G1027 WeakPolarHBondContact CD-O 3.46Å; R1008-G1027 PolarHBondContact NH1-O 3.42Å; R1024-G1027 PolarHBondContact O-N 2.83Å; R1024-G1027 VanDerWaalsContact O-N 3.15Å |
| 1028 | G | 84.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 86.9 Ų | 86.9 | 4% | 0.041 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 156.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1021 G1023 V1026 | I1021-G1028 CarbonylContact O-C 3.58Å; I1021-G1028 WeakPolarHBondContact O-CA 3.42Å; G1023-G1028 VanDerWaalsContact O-CA 3.29Å; G1023-G1028 WeakPolarHBondContact O-CA 3.34Å; G1023-G1028 PolarHBondContact O-N 3.07Å; V1026-G1028 VanDerWaalsContact C-N 3.32Å |
| 1029 | G | 85.4 | Confident | 88.3 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 163 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1021 | I1021-G1029 PolarHBondContact O-N 2.73Š|
| 1030 | I | 90.1 | Very high | 88.5 | Confident | 128 Ų | 128 | 84.9 Ų | 84.9 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 132.7 | 169.5 | -56.7 | -177.8 | 0 | 0 | 0 | 108.3 | ||
| 1031 | R | 89.3 | Confident | 88.7 | Confident | 223 Ų | 223 | 87.3 Ų | 87.3 | 84% | 0.842 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 120 | 179.3 | -177.1 | 178.1 | -177.5 | 177.9 | 1.1 | 110.3 | ||
| 1032 | L | 90.3 | Very high | 89 | Confident | 65 Ų | 65 | 89.8 Ų | 89.8 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | trans | -83.3 | 114.5 | 158.8 | -164.6 | 88.5 | 0 | 0 | 0 | 107.6 | E1036 L1040 R1052 L1053 | L1032-E1036 HydrophobicContact CD1-CB 3.74Å; L1032-E1036 HydrophobicContact CD1-CG 4.45Å; L1032-E1036 HydrophobicContact CG-CB 3.95Å; L1032-L1040 HydrophobicContact CD2-CD1 4.36Å; L1032-R1052 HydrophobicContact CD2-CB 4.21Å; L1032-L1053 HydrophobicContact CD2-CD2 3.76Å; L1032-L1053 HydrophobicContact CD2-CG 4.22Å | ||
| 1033 | G | 91.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 86.8 Ų | 86.8 | 18% | 0.175 | 45% | 0.449 | C | S | . | . | trans | -89.3 | -172.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E1036 R1037 | G1033-E1036 VanDerWaalsContact C-OE2 3.22Å; G1033-E1036 WeakPolarHBondContact CA-OE2 3.49Å; G1033-E1036 PolarHBondContact N-OE2 3.32Å; G1033-R1037 PolarHBondContact O-N 2.9Å | ||
| 1034 | E | 94.1 | Very high | 89.9 | Confident | 127 Ų | 127 | 87.8 Ų | 87.8 | 59% | 0.593 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 178.1 | -179.6 | 162.9 | -147.8 | 0 | 0 | 112.2 | E1036 R1037 D1038 | E1034-E1036 VanDerWaalsContact C-N 3.32Å; E1034-E1036 PolarHBondContact O-N 3.45Å; E1034-R1037 VanDerWaalsContact CG-NH2 3.34Å; E1034-R1037 WeakPolarHBondContact O-CB 3.41Å; E1034-R1037 PolarHBondContact O-N 3.23Å; E1034-R1037 IonicContact OE1-CZ 2.69Å; E1034-R1037 IonicContact OE1-NH1 2.95Å; E1034-R1037 IonicContact OE1-NH2 3.62Å; E1034-R1037 PolarHBondContact OE1-NH2 3.4Å; E1034-D1038 VanDerWaalsContact O-CG 3.3Å; E1034-D1038 PolarHBondContact O-N 3.1Å |
| 1035 | M | 95.9 | Very high | 90.6 | Very high | 140 Ų | 140 | 87.4 Ų | 87.4 | 69% | 0.69 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 179.2 | -62.8 | -175.5 | -61.2 | 0 | 0 | 111.3 | D1038 C1039 | M1035-D1038 PolarHBondContact O-N 3.25Å; M1035-C1039 PolarHBondContact O-N 3.49Å; M1035-C1039 PolarHBondContact O-SG 3.29Å |
| 1036 | E | 93.8 | Very high | 91.3 | Very high | 82 Ų | 82 | 82.5 Ų | 82.5 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 178.9 | -61.9 | 79 | -171.8 | 0 | 0 | 112.1 | L1032 G1033 E1034 D1038 C1039 L1040 | L1032-E1036 HydrophobicContact CD1-CB 3.74Å; L1032-E1036 HydrophobicContact CD1-CG 4.45Å; L1032-E1036 HydrophobicContact CG-CB 3.95Å; G1033-E1036 VanDerWaalsContact C-OE2 3.22Å; G1033-E1036 WeakPolarHBondContact CA-OE2 3.49Å; G1033-E1036 PolarHBondContact N-OE2 3.32Å; E1034-E1036 VanDerWaalsContact C-N 3.32Å; E1034-E1036 PolarHBondContact O-N 3.45Å; E1036-D1038 VanDerWaalsContact C-N 3.33Å; E1036-C1039 PolarHBondContact O-N 2.84Å; E1036-L1040 WeakPolarHBondContact O-CG 3.29Å; E1036-L1040 PolarHBondContact O-N 2.93Å |
| 1037 | R | 93.7 | Very high | 92 | Very high | 87 Ų | 87 | 87.8 Ų | 87.8 | 33% | 0.328 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57 | -49.4 | 171 | 176 | -158.9 | 72.3 | -162.6 | -3.6 | 110.4 | G1033 E1034 C1039 L1040 L1041 L1049 L1053 | G1033-R1037 PolarHBondContact O-N 2.9Å; E1034-R1037 VanDerWaalsContact CG-NH2 3.34Å; E1034-R1037 WeakPolarHBondContact O-CB 3.41Å; E1034-R1037 PolarHBondContact O-N 3.23Å; E1034-R1037 IonicContact OE1-CZ 2.69Å; E1034-R1037 IonicContact OE1-NH1 2.95Å; E1034-R1037 IonicContact OE1-NH2 3.62Å; E1034-R1037 PolarHBondContact OE1-NH2 3.4Å; R1037-C1039 VanDerWaalsContact C-N 3.33Å; R1037-C1039 PolarHBondContact O-N 3.27Å; R1037-L1040 PolarHBondContact O-N 3.41Å; R1037-L1041 HydrophobicContact CG-CD1 4.11Å; R1037-L1041 WeakPolarHBondContact O-CG 3.42Å; R1037-L1041 PolarHBondContact O-N 3.18Å; R1037-L1049 HydrophobicContact CB-CD1 4.28Å; R1037-L1049 HydrophobicContact CG-CD1 3.88Å; R1037-L1049 HydrophobicContact CG-CD2 4.35Å; R1037-L1053 HydrophobicContact CG-CD1 4.41Å |
| 1038 | D | 95.7 | Very high | 92.7 | Very high | 73 Ų | 73 | 88.7 Ų | 88.7 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | -176.4 | -64.5 | -13.4 | 0 | 0 | 0 | 111.4 | E1034 M1035 E1036 L1041 S1042 | E1034-D1038 VanDerWaalsContact O-CG 3.3Å; E1034-D1038 PolarHBondContact O-N 3.1Å; M1035-D1038 PolarHBondContact O-N 3.25Å; E1036-D1038 VanDerWaalsContact C-N 3.33Å; D1038-L1041 PolarHBondContact O-N 3.01Å; D1038-S1042 WeakPolarHBondContact O-CB 3.38Å; D1038-S1042 PolarHBondContact O-N 3.46Å |
| 1039 | C | 95.6 | Very high | 93 | Very high | 71 Ų | 71 | 89.5 Ų | 89.5 | 48% | 0.48 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 170.8 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | M1035 E1036 R1037 L1041 S1042 H1043 | M1035-C1039 PolarHBondContact O-N 3.49Å; M1035-C1039 PolarHBondContact O-SG 3.29Å; E1036-C1039 PolarHBondContact O-N 2.84Å; R1037-C1039 VanDerWaalsContact C-N 3.33Å; R1037-C1039 PolarHBondContact O-N 3.27Å; C1039-L1041 VanDerWaalsContact C-N 3.33Å; C1039-L1041 PolarHBondContact O-N 2.81Å; C1039-S1042 PolarHBondContact O-N 3.13Å; C1039-S1042 PolarHBondContact O-OG 3.33Å; C1039-H1043 PolarHBondContact O-CD2 2.87Å; C1039-H1043 PolarHBondContact O-N 3.2Å |
| 1040 | L | 93.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 93 Ų | 93 | 18% | 0.183 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.4 | -70.7 | 174.8 | 0 | 0 | 0 | 112.5 | L1032 E1036 R1037 H1043 G1044 L1045 L1049 | L1032-L1040 HydrophobicContact CD2-CD1 4.36Å; E1036-L1040 WeakPolarHBondContact O-CG 3.29Å; E1036-L1040 PolarHBondContact O-N 2.93Å; R1037-L1040 PolarHBondContact O-N 3.41Å; L1040-H1043 PolarHBondContact O-N 3.42Å; L1040-G1044 PolarHBondContact O-N 2.83Å; L1040-L1045 HydrophobicContact CD2-CB 4.49Å; L1040-L1045 HydrophobicContact CD2-CD1 4.14Å; L1040-L1045 PolarHBondContact O-N 3.45Å; L1040-L1049 HydrophobicContact CB-CD1 4.17Å; L1040-L1049 HydrophobicContact CD1-CD1 3.89Å |
| 1041 | L | 94.1 | Very high | 93.1 | Very high | 86 Ų | 86 | 89.4 Ų | 89.4 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.6 | -73.5 | 172.8 | 0 | 0 | 0 | 111.5 | R1037 D1038 C1039 H1043 G1044 L1049 | R1037-L1041 HydrophobicContact CG-CD1 4.11Å; R1037-L1041 WeakPolarHBondContact O-CG 3.42Å; R1037-L1041 PolarHBondContact O-N 3.18Å; D1038-L1041 PolarHBondContact O-N 3.01Å; C1039-L1041 VanDerWaalsContact C-N 3.33Å; C1039-L1041 PolarHBondContact O-N 2.81Å; L1041-H1043 PolarHBondContact O-N 2.96Å; L1041-G1044 PolarHBondContact O-N 3Å; L1041-L1049 HydrophobicContact CD1-CD2 4.33Å; L1041-L1049 HydrophobicContact CD2-CD2 3.4Å; L1041-L1049 VanDerWaalsContact CD2-CD2 3.4Å; L1041-L1049 HydrophobicContact CG-CD2 3.68Å |
| 1042 | S | 95.8 | Very high | 93.1 | Very high | 94 Ų | 94 | 84.8 Ų | 84.8 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.9 | -31.9 | 179 | 77.7 | 0 | 0 | 0 | 0 | 113.1 | D1038 C1039 G1044 | D1038-S1042 WeakPolarHBondContact O-CB 3.38Å; D1038-S1042 PolarHBondContact O-N 3.46Å; C1039-S1042 PolarHBondContact O-N 3.13Å; C1039-S1042 PolarHBondContact O-OG 3.33Å; S1042-G1044 VanDerWaalsContact C-N 3.29Å |
| 1043 | H | 95.7 | Very high | 93 | Very high | 142 Ų | 142 | 84.6 Ų | 84.6 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.5 | 174.2 | -72.8 | -66.7 | 0 | 0 | 0 | 113.6 | C1039 L1040 L1041 L1045 | C1039-H1043 PolarHBondContact O-CD2 2.87Å; C1039-H1043 PolarHBondContact O-N 3.2Å; L1040-H1043 PolarHBondContact O-N 3.42Å; L1041-H1043 PolarHBondContact O-N 2.96Å; H1043-L1045 VanDerWaalsContact C-N 3.27Å; H1043-L1045 HydrophobicContact CB-CD1 4.01Å; H1043-L1045 HydrophobicContact CB-CG 3.86Å; H1043-L1045 PolarHBondContact O-N 3.18Å |
| 1044 | G | 94.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 85.2 Ų | 85.2 | 54% | 0.536 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 17.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | L1040 L1041 S1042 V1046 | L1040-G1044 PolarHBondContact O-N 2.83Å; L1041-G1044 PolarHBondContact O-N 3Å; S1042-G1044 VanDerWaalsContact C-N 3.29Å; G1044-V1046 PolarHBondContact O-N 3.48Å |
| 1045 | L | 94.6 | Very high | 92 | Very high | 80 Ų | 80 | 82.4 Ų | 82.4 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | trans | -83.5 | 58.8 | -175.9 | -62.5 | 177.4 | 0 | 0 | 0 | 112 | L1040 H1043 F1047 S1048 L1049 | L1040-L1045 HydrophobicContact CD2-CB 4.49Å; L1040-L1045 HydrophobicContact CD2-CD1 4.14Å; L1040-L1045 PolarHBondContact O-N 3.45Å; H1043-L1045 VanDerWaalsContact C-N 3.27Å; H1043-L1045 HydrophobicContact CB-CD1 4.01Å; H1043-L1045 HydrophobicContact CB-CG 3.86Å; H1043-L1045 PolarHBondContact O-N 3.18Å; L1045-F1047 VanDerWaalsContact C-N 3.33Å; L1045-F1047 PolarHBondContact O-N 3.17Å; L1045-S1048 PolarHBondContact O-N 3.44Å; L1045-L1049 PolarHBondContact O-N 3.1Å | ||
| 1046 | V | 92.2 | Very high | 91.2 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | -175 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | G1044 L1049 Q1050 | G1044-V1046 PolarHBondContact O-N 3.48Å; V1046-L1049 PolarHBondContact O-N 3.18Å; V1046-Q1050 WeakPolarHBondContact O-CB 3.43Å; V1046-Q1050 PolarHBondContact O-N 3Å |
| 1047 | F | 92.9 | Very high | 90.2 | Very high | 189 Ų | 189 | 76.1 Ų | 76.1 | 83% | 0.829 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 178 | -67.3 | -69.4 | 0 | 0 | 0 | 112.6 | L1045 L1049 Q1050 D1051 | L1045-F1047 VanDerWaalsContact C-N 3.33Å; L1045-F1047 PolarHBondContact O-N 3.17Å; F1047-L1049 VanDerWaalsContact C-N 3.27Å; F1047-L1049 PolarHBondContact O-N 2.73Å; F1047-Q1050 PolarHBondContact O-N 3.03Å; F1047-D1051 WeakPolarHBondContact O-CB 3.44Å; F1047-D1051 PolarHBondContact O-N 3.16Å |
| 1048 | S | 92.8 | Very high | 89.1 | Confident | 53 Ų | 53 | 74.9 Ų | 74.9 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 175.1 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | L1045 D1051 R1052 | L1045-S1048 PolarHBondContact O-N 3.44Å; S1048-D1051 PolarHBondContact O-N 3.28Å; S1048-R1052 WeakPolarHBondContact O-CB 3.37Å; S1048-R1052 VanDerWaalsContact O-CG 3.25Å; S1048-R1052 WeakPolarHBondContact O-CG 3.41Å; S1048-R1052 PolarHBondContact O-N 2.86Å |
| 1049 | L | 90.9 | Very high | 88.4 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 176.2 | -174.2 | 68.6 | 0 | 0 | 0 | 111.9 | R1037 L1040 L1041 L1045 V1046 F1047 D1051 R1052 L1053 | R1037-L1049 HydrophobicContact CB-CD1 4.28Å; R1037-L1049 HydrophobicContact CG-CD1 3.88Å; R1037-L1049 HydrophobicContact CG-CD2 4.35Å; L1040-L1049 HydrophobicContact CB-CD1 4.17Å; L1040-L1049 HydrophobicContact CD1-CD1 3.89Å; L1041-L1049 HydrophobicContact CD1-CD2 4.33Å; L1041-L1049 HydrophobicContact CD2-CD2 3.4Å; L1041-L1049 VanDerWaalsContact CD2-CD2 3.4Å; L1041-L1049 HydrophobicContact CG-CD2 3.68Å; L1045-L1049 PolarHBondContact O-N 3.1Å; V1046-L1049 PolarHBondContact O-N 3.18Å; F1047-L1049 VanDerWaalsContact C-N 3.27Å; F1047-L1049 PolarHBondContact O-N 2.73Å; L1049-D1051 VanDerWaalsContact C-N 3.32Å; L1049-D1051 PolarHBondContact O-N 3.26Å; L1049-R1052 PolarHBondContact O-N 3.24Å; L1049-L1053 HydrophobicContact CD1-CD1 3.64Å; L1049-L1053 HydrophobicContact CD1-CG 4Å; L1049-L1053 HydrophobicContact CD2-CD1 4.5Å; L1049-L1053 HydrophobicContact CG-CD1 3.88Å; L1049-L1053 HydrophobicContact CG-CG 4.4Å; L1049-L1053 WeakPolarHBondContact O-CB 3.46Å; L1049-L1053 PolarHBondContact O-N 3.03Å |
| 1050 | Q | 89.3 | Confident | 87.8 | Confident | 96 Ų | 96 | 72 Ų | 72 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 177.3 | -178.8 | 62.1 | 19.6 | 0 | 0 | 111.3 | V1046 F1047 V1054 D1055 | V1046-Q1050 WeakPolarHBondContact O-CB 3.43Å; V1046-Q1050 PolarHBondContact O-N 3Å; F1047-Q1050 PolarHBondContact O-N 3.03Å; Q1050-V1054 WeakPolarHBondContact O-CB 3.45Å; Q1050-V1054 PolarHBondContact O-N 3.16Å; Q1050-D1055 PolarHBondContact O-N 3.43Å |
| 1051 | D | 90 | Very high | 87.5 | Confident | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | I | π-helix | trans | -61.8 | -50.9 | 176.9 | 170.3 | 53.3 | 0 | 0 | 0 | 111.3 | F1047 S1048 L1049 L1053 D1055 S1056 | F1047-D1051 WeakPolarHBondContact O-CB 3.44Å; F1047-D1051 PolarHBondContact O-N 3.16Å; S1048-D1051 PolarHBondContact O-N 3.28Å; L1049-D1051 VanDerWaalsContact C-N 3.32Å; L1049-D1051 PolarHBondContact O-N 3.26Å; D1051-L1053 PolarHBondContact O-N 2.99Å; D1051-D1055 PolarHBondContact O-N 3.41Å; D1051-S1056 VanDerWaalsContact O-CB 3.27Å; D1051-S1056 WeakPolarHBondContact O-CB 2.97Å; D1051-S1056 PolarHBondContact O-N 3.34Å; D1051-S1056 PolarHBondContact O-OG 2.74Å; D1051-S1056 PolarHBondContact OD1-OG 2.65Å; D1051-S1056 PolarHBondContact OD2-OG 3.3Å |
| 1052 | R | 89 | Confident | 87 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 48% | 0.475 | 40% | 0.395 | S | S | . | . | I | π-helix | trans | -67.9 | -38.1 | -177.3 | -67.2 | -61.2 | 102.5 | 164.5 | 2.4 | 113.4 | L1032 S1048 L1049 S1056 N1057 | L1032-R1052 HydrophobicContact CD2-CB 4.21Å; S1048-R1052 WeakPolarHBondContact O-CB 3.37Å; S1048-R1052 VanDerWaalsContact O-CG 3.25Å; S1048-R1052 WeakPolarHBondContact O-CG 3.41Å; S1048-R1052 PolarHBondContact O-N 2.86Å; L1049-R1052 PolarHBondContact O-N 3.24Å; R1052-S1056 PolarHBondContact NH2-OG 3.4Å; R1052-S1056 VanDerWaalsContact NH2-OG 3.14Å; R1052-N1057 PolarHBondContact O-ND2 3.18Å; R1052-N1057 VanDerWaalsContact O-ND2 3.16Å |
| 1053 | L | 87.1 | Confident | 86.5 | Confident | 61 Ų | 61 | 71 Ų | 71 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -83.8 | -32.9 | -176.6 | -71.8 | -176.8 | 0 | 0 | 0 | 113.7 | L1032 R1037 L1049 D1051 N1057 | L1032-L1053 HydrophobicContact CD2-CD2 3.76Å; L1032-L1053 HydrophobicContact CD2-CG 4.22Å; R1037-L1053 HydrophobicContact CG-CD1 4.41Å; L1049-L1053 HydrophobicContact CD1-CD1 3.64Å; L1049-L1053 HydrophobicContact CD1-CG 4Å; L1049-L1053 HydrophobicContact CD2-CD1 4.5Å; L1049-L1053 HydrophobicContact CG-CD1 3.88Å; L1049-L1053 HydrophobicContact CG-CG 4.4Å; L1049-L1053 WeakPolarHBondContact O-CB 3.46Å; L1049-L1053 PolarHBondContact O-N 3.03Å; D1051-L1053 PolarHBondContact O-N 2.99Å; L1053-N1057 WeakPolarHBondContact O-CB 3.45Å; L1053-N1057 PolarHBondContact O-ND2 2.71Å |
| 1054 | V | 81.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -116 | -56 | -171.4 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | Q1050 K1060 | Q1050-V1054 WeakPolarHBondContact O-CB 3.45Å; Q1050-V1054 PolarHBondContact O-N 3.16Å; V1054-K1060 HydrophobicContact CG1-CB 4.4Å |
| 1055 | D | 82.5 | Confident | 85.5 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -75.2 | -48.7 | -170.1 | -67.5 | -43.5 | 0 | 0 | 0 | 111.9 | Q1050 D1051 N1057 K1060 | Q1050-D1055 PolarHBondContact O-N 3.43Å; D1051-D1055 PolarHBondContact O-N 3.41Å; D1055-N1057 VanDerWaalsContact C-N 3.3Å; D1055-N1057 PolarHBondContact O-N 3.44Å; D1055-K1060 WeakPolarHBondContact OD1-CD 3.24Å; D1055-K1060 IonicContact OD1-NZ 2.71Å; D1055-K1060 PolarHBondContact OD1-NZ 2.93Å |
| 1056 | S | 79.4 | Confident | 84.9 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -20 | 178.6 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | D1051 R1052 C1058 | D1051-S1056 VanDerWaalsContact O-CB 3.27Å; D1051-S1056 WeakPolarHBondContact O-CB 2.97Å; D1051-S1056 PolarHBondContact O-N 3.34Å; D1051-S1056 PolarHBondContact O-OG 2.74Å; D1051-S1056 PolarHBondContact OD1-OG 2.65Å; D1051-S1056 PolarHBondContact OD2-OG 3.3Å; R1052-S1056 PolarHBondContact NH2-OG 3.4Å; R1052-S1056 VanDerWaalsContact NH2-OG 3.14Å; S1056-C1058 VanDerWaalsContact C-N 3.31Å; S1056-C1058 PolarHBondContact O-N 2.87Å |
| 1057 | N | 72.7 | Confident | 84.3 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3.8 | -178.2 | -89.5 | -21 | 0 | 0 | 0 | 114.3 | P1020 R1052 L1053 D1055 D1059 | P1020-N1057 WeakPolarHBondContact CD-O 3.17Å; R1052-N1057 PolarHBondContact O-ND2 3.18Å; R1052-N1057 VanDerWaalsContact O-ND2 3.16Å; L1053-N1057 WeakPolarHBondContact O-CB 3.45Å; L1053-N1057 PolarHBondContact O-ND2 2.71Å; D1055-N1057 VanDerWaalsContact C-N 3.3Å; D1055-N1057 PolarHBondContact O-N 3.44Å; N1057-D1059 HydrophobicContact CB-CB 4.18Å; N1057-D1059 PolarHBondContact O-N 3.17Å |
| 1058 | C | 70.8 | Confident | 83.6 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 10.6 | -172 | -56.9 | 0 | 0 | 0 | 0 | 114.7 | S1056 K1060 | S1056-C1058 VanDerWaalsContact C-N 3.31Å; S1056-C1058 PolarHBondContact O-N 2.87Å; C1058-K1060 PolarHBondContact O-N 2.96Å |
| 1059 | D | 80.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | trans | -74.8 | -16.7 | -174.8 | -157.7 | -14.3 | 0 | 0 | 0 | 110.3 | Q1019 N1057 V1061 S1131 A1132 S1133 | Q1019-D1059 PolarHBondContact NE2-OD2 3.09Å; N1057-D1059 HydrophobicContact CB-CB 4.18Å; N1057-D1059 PolarHBondContact O-N 3.17Å; D1059-V1061 PolarHBondContact O-N 3.07Å; D1059-V1061 VanDerWaalsContact O-N 3.17Å; D1059-S1131 CarbonylContact O-C 3.27Å; D1059-S1131 VanDerWaalsContact O-CA 3.29Å; D1059-S1131 WeakPolarHBondContact O-CA 3.16Å; D1059-S1131 WeakPolarHBondContact OD1-CB 3.36Å; D1059-A1132 PolarHBondContact O-N 3.11Å; D1059-A1132 VanDerWaalsContact OD1-CA 3.24Å; D1059-A1132 WeakPolarHBondContact OD1-CA 3.46Å; D1059-A1132 WeakPolarHBondContact OD1-CB 3.5Å; D1059-A1132 PolarHBondContact OD1-N 2.9Å; D1059-S1133 PolarHBondContact OD1-N 3.42Å; D1059-S1133 PolarHBondContact OD1-OG 3.32Å; D1059-S1133 PolarHBondContact OD2-OG 2.83Å | ||
| 1060 | K | 84.7 | Confident | 82.3 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 115.4 | 179.6 | -162.9 | 174.6 | -164.6 | 159.8 | 0 | 112.5 | R1018 V1054 D1055 C1058 K1129 | R1018-K1060 PolarHBondContact NH1-O 2.76Å; V1054-K1060 HydrophobicContact CG1-CB 4.4Å; D1055-K1060 WeakPolarHBondContact OD1-CD 3.24Å; D1055-K1060 IonicContact OD1-NZ 2.71Å; D1055-K1060 PolarHBondContact OD1-NZ 2.93Å; C1058-K1060 PolarHBondContact O-N 2.96Å; K1060-K1129 HydrophobicContact CG-CB 4.45Å |
| 1061 | V | 85.9 | Confident | 81.9 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.7 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | D1059 M1063 V1130 A1132 | D1059-V1061 PolarHBondContact O-N 3.07Å; D1059-V1061 VanDerWaalsContact O-N 3.17Å; V1061-M1063 HydrophobicContact CG1-CG 4.01Å; V1061-V1130 PolarHBondContact N-O 3.14Å; V1061-V1130 PolarHBondContact O-N 3.27Å; V1061-A1132 HydrophobicContact CG2-CB 3.64Å |
| 1062 | K | 85.5 | Confident | 81.4 | Confident | 152 Ų | 152 | 45.6 Ų | 45.6 | 66% | 0.661 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.4 | 170.1 | -65.1 | -179.5 | -177.5 | 177.4 | 0 | 108.7 | Y1127 V1128 K1129 | K1062-Y1127 HydrophobicContact CB-CD1 4.36Å; K1062-V1128 WeakPolarHBondContact CA-O 3.43Å; K1062-K1129 HydrophobicContact CG-CG 4.41Å |
| 1063 | M | 84 | Confident | 80.5 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 154.1 | 176.1 | -66.8 | -164.6 | 73.8 | 0 | 0 | 110.9 | V1061 L1072 Y1127 V1128 V1130 R1135 | V1061-M1063 HydrophobicContact CG1-CG 4.01Å; M1063-L1072 HydrophobicContact CB-CD2 3.88Å; M1063-L1072 HydrophobicContact CE-CB 3.87Å; M1063-L1072 HydrophobicContact CE-CD1 4.44Å; M1063-L1072 HydrophobicContact CE-CD2 4.49Å; M1063-L1072 HydrophobicContact SD-CB 4.44Å; M1063-L1072 HydrophobicContact SD-CD1 4.03Å; M1063-L1072 HydrophobicContact SD-CD2 4.15Å; M1063-L1072 HydrophobicContact SD-CG 4.45Å; M1063-Y1127 WeakPolarHBondContact O-CA 3.24Å; M1063-V1128 HydrophobicContact CB-CG2 4.31Å; M1063-V1128 PolarHBondContact N-O 3.11Å; M1063-V1128 PolarHBondContact O-N 3.19Å; M1063-V1130 HydrophobicContact CB-CG2 4.45Å; M1063-V1130 HydrophobicContact CG-CG2 4Å; M1063-V1130 HydrophobicContact SD-CG2 3.91Å; M1063-R1135 HydrophobicContact CE-CG 3.85Å; M1063-R1135 HydrophobicContact SD-CB 3.71Å; M1063-R1135 VanDerWaalsContact SD-CD 3.52Å; M1063-R1135 HydrophobicContact SD-CG 3.46Å; M1063-R1135 WeakPolarHBondContact SD-CG 3.39Å |
| 1064 | L | 83.9 | Confident | 79.7 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.6 | 171.3 | -68.2 | 170.7 | 0 | 0 | 0 | 108.8 | T1073 A1078 L1125 K1126 Y1127 | L1064-T1073 WeakPolarHBondContact CB-OG1 3.4Å; L1064-T1073 PolarHBondContact O-N 3.47Å; L1064-T1073 PolarHBondContact O-OG1 3.44Å; L1064-A1078 HydrophobicContact CD1-CB 4.28Å; L1064-L1125 HydrophobicContact CB-CB 4.48Å; L1064-L1125 HydrophobicContact CB-CD2 4.45Å; L1064-L1125 HydrophobicContact CD1-CD1 4.34Å; L1064-L1125 HydrophobicContact CD2-CB 4.22Å; L1064-K1126 WeakPolarHBondContact CA-O 3.27Å; L1064-Y1127 HydrophobicContact CD2-CD1 3.79Å; L1064-Y1127 HydrophobicContact CD2-CD2 4.07Å; L1064-Y1127 HydrophobicContact CD2-CE1 3.56Å; L1064-Y1127 HydrophobicContact CD2-CE2 3.86Å; L1064-Y1127 HydrophobicContact CD2-CG 4.04Å; L1064-Y1127 HydrophobicContact CG-CD1 4.42Å; L1064-Y1127 HydrophobicContact CG-CE1 4.05Å |
| 1065 | A | 84.6 | Confident | 79 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1071 L1072 K1126 V1128 L1152 | A1065-G1071 WeakPolarHBondContact CA-O 3.38Å; A1065-L1072 HydrophobicContact CB-CD2 4.18Å; A1065-K1126 PolarHBondContact N-O 3.41Å; A1065-K1126 PolarHBondContact O-N 3.18Å; A1065-V1128 HydrophobicContact CB-CG1 4.07Å; A1065-V1128 HydrophobicContact CB-CG2 3.83Å; A1065-L1152 HydrophobicContact CB-CD1 3.6Å; A1065-L1152 HydrophobicContact CB-CD2 4.01Å; A1065-L1152 HydrophobicContact CB-CG 4.33Å |
| 1066 | C | 82.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128 | 179 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | K1068 C1069 G1070 G1071 C1106 N1123 L1125 | C1066-K1068 VanDerWaalsContact C-N 3.28Å; C1066-K1068 PolarHBondContact O-N 2.95Å; C1066-K1068 PolarHBondContact SG-N 3.02Å; C1066-K1068 VanDerWaalsContact SG-N 3.39Å; C1066-C1069 VanDerWaalsContact CB-SG 3.51Å; C1066-C1069 PolarHBondContact SG-N 3.49Å; C1066-C1069 VanDerWaalsContact SG-SG 3.68Å; C1066-G1070 WeakPolarHBondContact O-CA 3.45Å; C1066-G1070 PolarHBondContact O-N 3.44Å; C1066-G1071 PolarHBondContact N-O 3Å; C1066-G1071 VanDerWaalsContact N-O 3.09Å; C1066-C1106 HydrophobicContact CB-CB 3.89Å; C1066-C1106 VanDerWaalsContact SG-CB 3.53Å; C1066-N1123 PolarHBondContact SG-OD1 3.23Å; C1066-L1125 HydrophobicContact CB-CD2 3.87Å |
| 1067 | S | 79 | Confident | 77.2 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -34.5 | 174.3 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | D1122 S1124 | S1067-D1122 PolarHBondContact OG-O 3.26Å; S1067-S1124 PolarHBondContact OG-O 3.09Å |
| 1068 | K | 77.8 | Confident | 76.8 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 47% | 0.465 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -54.3 | -175.8 | -161.5 | 168.6 | -175.7 | 169 | 0 | 112.6 | C1066 C1109 D1120 N1123 | C1066-K1068 VanDerWaalsContact C-N 3.28Å; C1066-K1068 PolarHBondContact O-N 2.95Å; C1066-K1068 PolarHBondContact SG-N 3.02Å; C1066-K1068 VanDerWaalsContact SG-N 3.39Å; K1068-C1109 HydrophobicContact CD-CB 4.33Å; K1068-D1120 IonicContact NZ-OD2 3.75Å; K1068-D1120 PolarHBondContact NZ-OD2 3.32Å; K1068-N1123 WeakPolarHBondContact CB-OD1 3.42Å |
| 1069 | C | 78.6 | Confident | 76.4 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.2 | -177.7 | 70.2 | 0 | 0 | 0 | 0 | 115.3 | C1066 G1071 C1109 | C1066-C1069 VanDerWaalsContact CB-SG 3.51Å; C1066-C1069 PolarHBondContact SG-N 3.49Å; C1066-C1069 VanDerWaalsContact SG-SG 3.68Å; C1069-G1071 PolarHBondContact O-N 3.21Å; C1069-G1071 PolarHBondContact SG-N 3.44Å; C1069-C1109 WeakPolarHBondContact CB-SG 3.39Å; C1069-C1109 VanDerWaalsContact SG-SG 3.65Å |
| 1070 | G | 79.2 | Confident | 75.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | 66.8 | 9.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1066 L1150 | C1066-G1070 WeakPolarHBondContact O-CA 3.45Å; C1066-G1070 PolarHBondContact O-N 3.44Å; G1070-L1150 WeakPolarHBondContact CA-O 3.44Å; G1070-L1150 WeakPolarHBondContact O-CB 3.16Å; G1070-L1150 PolarHBondContact O-N 3.29Å | ||
| 1071 | G | 80.1 | Confident | 74.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | trans | -79.4 | 143 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1065 C1066 C1069 | A1065-G1071 WeakPolarHBondContact CA-O 3.38Å; C1066-G1071 PolarHBondContact N-O 3Å; C1066-G1071 VanDerWaalsContact N-O 3.09Å; C1069-G1071 PolarHBondContact O-N 3.21Å; C1069-G1071 PolarHBondContact SG-N 3.44Å | ||
| 1072 | L | 80.5 | Confident | 72.5 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.4 | 166.1 | -69.9 | 170.9 | 0 | 0 | 0 | 108.9 | M1063 A1065 V1128 F1134 T1138 L1150 | M1063-L1072 HydrophobicContact CB-CD2 3.88Å; M1063-L1072 HydrophobicContact CE-CB 3.87Å; M1063-L1072 HydrophobicContact CE-CD1 4.44Å; M1063-L1072 HydrophobicContact CE-CD2 4.49Å; M1063-L1072 HydrophobicContact SD-CB 4.44Å; M1063-L1072 HydrophobicContact SD-CD1 4.03Å; M1063-L1072 HydrophobicContact SD-CD2 4.15Å; M1063-L1072 HydrophobicContact SD-CG 4.45Å; A1065-L1072 HydrophobicContact CB-CD2 4.18Å; L1072-V1128 HydrophobicContact CD2-CG2 3.83Å; L1072-F1134 HydrophobicContact CD1-CD1 4.38Å; L1072-F1134 HydrophobicContact CD1-CE1 4.09Å; L1072-T1138 HydrophobicContact CD1-CG2 3.97Å; L1072-L1150 HydrophobicContact CD1-CD1 4.18Å; L1072-L1150 HydrophobicContact CD2-CD1 3.7Å; L1072-L1150 HydrophobicContact CG-CD1 3.75Å |
| 1073 | T | 70.4 | Confident | 70.4 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.4 | -173.4 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | L1064 L1125 | L1064-T1073 WeakPolarHBondContact CB-OG1 3.4Å; L1064-T1073 PolarHBondContact O-N 3.47Å; L1064-T1073 PolarHBondContact O-OG1 3.44Å; T1073-L1125 HydrophobicContact CG2-CD2 4.41Å; T1073-L1125 WeakPolarHBondContact OG1-CD2 3.44Å |
| 1074 | H | 69.6 | Low | 68.4 | Low | 113 Ų | 113 | 61.3 Ų | 61.3 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | trans | -81.8 | 159.2 | 170.6 | -162.8 | -104.3 | 0 | 0 | 0 | 110.5 | D1076 L1077 | H1074-D1076 IonicContact CE1-OD2 3.96Å; H1074-D1076 PolarHBondContact CE1-OD2 2.92Å; H1074-D1076 VanDerWaalsContact CE1-OD2 3.27Å; H1074-D1076 IonicContact ND1-OD1 2.89Å; H1074-D1076 IonicContact ND1-OD2 3.78Å; H1074-D1076 PolarHBondContact ND1-OD2 3.21Å; H1074-D1076 PolarHBondContact O-N 3.14Å; H1074-D1076 VanDerWaalsContact O-N 3.13Å; H1074-L1077 PolarHBondContact O-N 3.06Å | ||
| 1075 | S | 65.9 | Low | 66.2 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -55.8 | -29.8 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | L1077 A1078 | S1075-L1077 VanDerWaalsContact C-N 3.27Å; S1075-L1077 PolarHBondContact O-N 3.42Å; S1075-A1078 WeakPolarHBondContact O-CB 3.18Å; S1075-A1078 PolarHBondContact O-N 2.99Å |
| 1076 | D | 64.3 | Low | 63.8 | Low | 121 Ų | 121 | 73 Ų | 73 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -75.9 | -17 | -179.2 | -48.7 | -35.1 | 0 | 0 | 0 | 113.1 | H1074 A1078 | H1074-D1076 IonicContact CE1-OD2 3.96Å; H1074-D1076 PolarHBondContact CE1-OD2 2.92Å; H1074-D1076 VanDerWaalsContact CE1-OD2 3.27Å; H1074-D1076 IonicContact ND1-OD1 2.89Å; H1074-D1076 IonicContact ND1-OD2 3.78Å; H1074-D1076 PolarHBondContact ND1-OD2 3.21Å; H1074-D1076 PolarHBondContact O-N 3.14Å; H1074-D1076 VanDerWaalsContact O-N 3.13Å; D1076-A1078 VanDerWaalsContact C-N 3.34Å |
| 1077 | L | 61.1 | Low | 61.4 | Low | 66 Ų | 66 | 80.6 Ų | 80.6 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -94.8 | 5.4 | 173.7 | -67.1 | 170.6 | 0 | 0 | 0 | 112 | H1074 S1075 R1107 | H1074-L1077 PolarHBondContact O-N 3.06Å; S1075-L1077 VanDerWaalsContact C-N 3.27Å; S1075-L1077 PolarHBondContact O-N 3.42Å; L1077-R1107 WeakPolarHBondContact O-CB 3.25Å; L1077-R1107 PolarHBondContact O-N 2.93Å |
| 1078 | A | 63.4 | Low | 59.4 | Low | 12 Ų | 12 | 87.4 Ų | 87.4 | 10% | 0.099 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1064 S1075 D1076 W1104 C1105 L1125 | L1064-A1078 HydrophobicContact CD1-CB 4.28Å; S1075-A1078 WeakPolarHBondContact O-CB 3.18Å; S1075-A1078 PolarHBondContact O-N 2.99Å; D1076-A1078 VanDerWaalsContact C-N 3.34Å; A1078-W1104 HydrophobicContact CB-CB 4.28Å; A1078-W1104 HydrophobicContact CB-CD2 4.32Å; A1078-W1104 HydrophobicContact CB-CE3 3.47Å; A1078-W1104 VanDerWaalsContact CB-CE3 3.47Å; A1078-W1104 HydrophobicContact CB-CZ3 4.15Å; A1078-C1105 WeakPolarHBondContact CA-O 3.29Å; A1078-L1125 HydrophobicContact CB-CD1 3.53Å |
| 1079 | R | 63.4 | Low | 57.5 | Low | 162 Ų | 162 | 89.7 Ų | 89.7 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 131 | 179.1 | -173.6 | 179.8 | -173.4 | 166.9 | 2.3 | 109.6 | W1104 C1105 | R1079-W1104 WeakPolarHBondContact O-CA 3.24Å; R1079-C1105 PolarHBondContact N-O 3.37Å; R1079-C1105 PolarHBondContact O-N 3.48Å; R1079-C1105 VanDerWaalsContact O-N 3.11Å |
| 1080 | N | 59.6 | Low | 55.5 | Low | 61 Ų | 61 | 94.3 Ų | 94.3 | 33% | 0.326 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.8 | 175.7 | -160.8 | 5.4 | 0 | 0 | 0 | 109.6 | T1082 N1102 | N1080-T1082 VanDerWaalsContact C-N 3.27Å; N1080-T1082 PolarHBondContact ND2-OG1 3.49Å; N1080-T1082 PolarHBondContact O-N 3.46Å; N1080-T1082 PolarHBondContact OD1-OG1 2.9Å; N1080-N1102 VanDerWaalsContact ND2-CG 3.34Å; N1080-N1102 PolarHBondContact ND2-OD1 3.41Å; N1080-N1102 VanDerWaalsContact ND2-OD1 3.09Å; N1080-N1102 PolarHBondContact OD1-OD1 2.97Å |
| 1081 | I | 57.7 | Low | 53.2 | Low | 99 Ų | 99 | 98.7 Ų | 98.7 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | trans | -81.4 | -0.5 | -170.7 | -63.7 | 171.7 | 0 | 0 | 0 | 112.8 | N1083 R1103 C1105 | I1081-N1083 PolarHBondContact O-N 3.5Å; I1081-R1103 HydrophobicContact CD1-CB 4.45Å; I1081-R1103 PolarHBondContact N-O 2.92Å; I1081-R1103 VanDerWaalsContact N-O 3.17Å; I1081-C1105 HydrophobicContact CD1-CB 4.02Å | ||
| 1082 | T | 50.5 | Low | 50.8 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | 19.6 | -166.3 | 43.3 | 0 | 0 | 0 | 0 | 117.5 | N1080 N1102 | N1080-T1082 VanDerWaalsContact C-N 3.27Å; N1080-T1082 PolarHBondContact ND2-OG1 3.49Å; N1080-T1082 PolarHBondContact O-N 3.46Å; N1080-T1082 PolarHBondContact OD1-OG1 2.9Å; T1082-N1102 PolarHBondContact OG1-OD1 2.69Å |
| 1083 | N | 42.9 | Very low | 48.7 | Very low | 156 Ų | 156 | 111.3 Ų | 111.3 | 83% | 0.834 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 32.3 | -175.5 | -100.9 | -7.3 | 0 | 0 | 0 | 117.8 | I1081 | I1081-N1083 PolarHBondContact O-N 3.5Š|
| 1084 | T | 40.3 | Very low | 46.8 | Very low | 120 Ų | 120 | 116 Ų | 116 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -138.2 | 81.9 | 171.7 | 37.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1085 | S | 37.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 115.9 Ų | 115.9 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | trans | 159.7 | 73.7 | 149.1 | 44 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1086 | V | 36 | Very low | 43.4 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -135.1 | 86.9 | 159.8 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1087 | N | 32.1 | Very low | 41.8 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -167.9 | 77.3 | 157.3 | -97.4 | -13.4 | 0 | 0 | 0 | 108.6 | ||||
| 1088 | Q | 37.4 | Very low | 40.8 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | -173.7 | 95.5 | 148.4 | -102.3 | 170.1 | 13.3 | 0 | 0 | 109.9 | ||||
| 1089 | I | 36.6 | Very low | 39.5 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | 12.6 | 125.9 | 140.4 | -26.7 | -179.5 | 0 | 0 | 0 | 115.4 | ||||
| 1090 | T | 36.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | -169 | 139.5 | 61.4 | 33.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1091 | S | 31.2 | Very low | 37.8 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | 19.7 | 112.6 | 145.6 | 62.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1092 | N | 31 | Very low | 37.5 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | 164.9 | 145.3 | 100.6 | -94.2 | -14 | 0 | 0 | 0 | 112 | |||||
| 1093 | N | 36 | Very low | 37.9 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | 90.1 | 140.5 | 168.3 | -66.7 | -7.5 | 0 | 0 | 0 | 119.7 | ||||
| 1094 | S | 29.9 | Very low | 39 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -97 | 159.5 | -151.2 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1095 | S | 29.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | 68.4 | 94.3 | 153.5 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1096 | S | 35.6 | Very low | 42.2 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | 178.9 | 114 | 122.8 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | V1098 | S1096-V1098 PolarHBondContact O-N 3.02Š| |||
| 1097 | F | 30.1 | Very low | 43.9 | Very low | 220 Ų | 220 | 119.3 Ų | 119.3 | 97% | 0.965 | 66% | 0.655 | S | S | * | * | trans | -80 | 102.1 | 175.6 | -130.3 | -96.3 | 0 | 0 | 0 | 108.1 | ||||
| 1098 | V | 39.1 | Very low | 45.8 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 71% | 0.709 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -94 | 128.4 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | S1096 G1100 | S1096-V1098 PolarHBondContact O-N 3.02Å; V1098-G1100 PolarHBondContact O-N 3.34Å |
| 1099 | P | 37.3 | Very low | 47.5 | Very low | 113 Ų | 113 | 109 Ų | 109 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 120.4 | 176.4 | 7.1 | 0.7 | 0 | 0 | 0 | 109.2 | T1101 | P1099-T1101 PolarHBondContact O-N 3.18Š|
| 1100 | G | 39.7 | Very low | 48.8 | Very low | 63 Ų | 63 | 104.8 Ų | 104.8 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1098 N1102 | V1098-G1100 PolarHBondContact O-N 3.34Å; G1100-N1102 PolarHBondContact O-N 2.77Å; G1100-N1102 VanDerWaalsContact O-N 3.1Å |
| 1101 | T | 46.2 | Very low | 49.8 | Very low | 109 Ų | 109 | 103 Ų | 103 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | trans | -70.7 | 101.5 | 169.6 | 44.1 | 0 | 0 | 0 | 0 | 108.3 | P1099 R1103 | P1099-T1101 PolarHBondContact O-N 3.18Å; T1101-R1103 PolarHBondContact O-N 3.01Å | ||
| 1102 | N | 52 | Low | 50.8 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | trans | -56.8 | 107 | 172 | -80 | -26.2 | 0 | 0 | 0 | 109 | N1080 T1082 G1100 W1104 | N1080-N1102 VanDerWaalsContact ND2-CG 3.34Å; N1080-N1102 PolarHBondContact ND2-OD1 3.41Å; N1080-N1102 VanDerWaalsContact ND2-OD1 3.09Å; N1080-N1102 PolarHBondContact OD1-OD1 2.97Å; T1082-N1102 PolarHBondContact OG1-OD1 2.69Å; G1100-N1102 PolarHBondContact O-N 2.77Å; G1100-N1102 VanDerWaalsContact O-N 3.1Å; N1102-W1104 VanDerWaalsContact O-CD1 3.25Å | ||
| 1103 | R | 59.3 | Low | 51.6 | Low | 177 Ų | 177 | 101.2 Ų | 101.2 | 67% | 0.668 | 57% | 0.566 | S | S | * | * | trans | -92.4 | 120.9 | 174.3 | -72.8 | -175.9 | -179 | 172.1 | 0.3 | 108.5 | I1081 T1101 | I1081-R1103 HydrophobicContact CD1-CB 4.45Å; I1081-R1103 PolarHBondContact N-O 2.92Å; I1081-R1103 VanDerWaalsContact N-O 3.17Å; T1101-R1103 PolarHBondContact O-N 3.01Å | ||
| 1104 | W | 65.8 | Low | 51.8 | Low | 93 Ų | 93 | 99 Ų | 99 | 35% | 0.352 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 127 | -178.2 | -58.7 | 81.4 | 0 | 0 | 0 | 109.7 | A1078 R1079 N1102 L1125 | A1078-W1104 HydrophobicContact CB-CB 4.28Å; A1078-W1104 HydrophobicContact CB-CD2 4.32Å; A1078-W1104 HydrophobicContact CB-CE3 3.47Å; A1078-W1104 VanDerWaalsContact CB-CE3 3.47Å; A1078-W1104 HydrophobicContact CB-CZ3 4.15Å; R1079-W1104 WeakPolarHBondContact O-CA 3.24Å; N1102-W1104 VanDerWaalsContact O-CD1 3.25Å; W1104-L1125 HydrophobicContact CB-CB 4.47Å; W1104-L1125 HydrophobicContact CB-CD1 3.82Å |
| 1105 | C | 70.9 | Confident | 52.2 | Low | 7 Ų | 7 | 100.9 Ų | 100.9 | 5% | 0.047 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 152.3 | 172.5 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | A1078 R1079 I1081 R1107 | A1078-C1105 WeakPolarHBondContact CA-O 3.29Å; R1079-C1105 PolarHBondContact N-O 3.37Å; R1079-C1105 PolarHBondContact O-N 3.48Å; R1079-C1105 VanDerWaalsContact O-N 3.11Å; I1081-C1105 HydrophobicContact CD1-CB 4.02Å; C1105-R1107 PolarHBondContact O-N 2.86Å |
| 1106 | C | 74.4 | Confident | 52.7 | Low | 0 Ų | 0 | 100 Ų | 100 | 0% | 0 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.3 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | C1066 L1108 C1109 D1110 L1125 | C1066-C1106 HydrophobicContact CB-CB 3.89Å; C1066-C1106 VanDerWaalsContact SG-CB 3.53Å; C1106-L1108 VanDerWaalsContact C-N 3.27Å; C1106-L1108 PolarHBondContact O-N 3.09Å; C1106-C1109 HydrophobicContact CB-CB 4.28Å; C1106-C1109 PolarHBondContact O-N 2.84Å; C1106-C1109 VanDerWaalsContact O-N 3.14Å; C1106-D1110 PolarHBondContact O-N 3.46Å; C1106-L1125 HydrophobicContact CB-CD2 3.93Å; C1106-L1125 HydrophobicContact CB-CG 4.46Å |
| 1107 | R | 71.9 | Confident | 52.9 | Low | 160 Ų | 160 | 102 Ų | 102 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.6 | -32.4 | -177.8 | -173.3 | 175.6 | -180 | 173.9 | -0.4 | 114.3 | L1077 C1105 C1109 S1111 | L1077-R1107 WeakPolarHBondContact O-CB 3.25Å; L1077-R1107 PolarHBondContact O-N 2.93Å; C1105-R1107 PolarHBondContact O-N 2.86Å; R1107-C1109 VanDerWaalsContact C-N 3.33Å; R1107-S1111 PolarHBondContact O-N 2.85Å; R1107-S1111 PolarHBondContact O-OG 2.96Å |
| 1108 | L | 72.9 | Confident | 53.2 | Low | 107 Ų | 107 | 95.7 Ų | 95.7 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.5 | -23.1 | -179.7 | -65.9 | 171.9 | 0 | 0 | 0 | 113.5 | C1106 S1111 | C1106-L1108 VanDerWaalsContact C-N 3.27Å; C1106-L1108 PolarHBondContact O-N 3.09Å; L1108-S1111 PolarHBondContact O-OG 2.88Å |
| 1109 | C | 71.2 | Confident | 53.3 | Low | 25 Ų | 25 | 101.5 Ų | 101.5 | 17% | 0.169 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -95.7 | -13.6 | 178.3 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | K1068 C1069 C1106 R1107 N1123 | K1068-C1109 HydrophobicContact CD-CB 4.33Å; C1069-C1109 WeakPolarHBondContact CB-SG 3.39Å; C1069-C1109 VanDerWaalsContact SG-SG 3.65Å; C1106-C1109 HydrophobicContact CB-CB 4.28Å; C1106-C1109 PolarHBondContact O-N 2.84Å; C1106-C1109 VanDerWaalsContact O-N 3.14Å; R1107-C1109 VanDerWaalsContact C-N 3.33Å; C1109-N1123 WeakPolarHBondContact CB-ND2 3.2Å |
| 1110 | D | 64.7 | Low | 53.6 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 37% | 0.369 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -98.7 | -15.6 | -177.5 | -144.9 | 33.9 | 0 | 0 | 0 | 111.8 | C1106 S1113 | C1106-D1110 PolarHBondContact O-N 3.46Å; D1110-S1113 PolarHBondContact O-OG 3.2Å |
| 1111 | S | 57.9 | Low | 54.1 | Low | 83 Ų | 83 | 109.8 Ų | 109.8 | 58% | 0.58 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -14.5 | -179.6 | 52 | 0 | 0 | 0 | 0 | 114.9 | R1107 L1108 | R1107-S1111 PolarHBondContact O-N 2.85Å; R1107-S1111 PolarHBondContact O-OG 2.96Å; L1108-S1111 PolarHBondContact O-OG 2.88Å |
| 1112 | D | 50.9 | Low | 54.4 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 79% | 0.786 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 1.9 | -176.4 | -74.4 | -10.5 | 0 | 0 | 0 | 113.7 | ||
| 1113 | S | 48.4 | Very low | 54.6 | Low | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 54% | 0.544 | S | S | . | . | trans | -108.7 | 88.6 | 178.2 | 57 | 0 | 0 | 0 | 0 | 111.7 | D1110 D1115 | D1110-S1113 PolarHBondContact O-OG 3.2Å; S1113-D1115 PolarHBondContact O-N 3.47Å | ||
| 1114 | S | 41.1 | Very low | 55.1 | Low | 115 Ų | 115 | 101.2 Ų | 101.2 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -79.5 | 4.8 | 167.3 | 56 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1115 | D | 36.9 | Very low | 55.6 | Low | 145 Ų | 145 | 97.9 Ų | 97.9 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -150.7 | 106.7 | 176.6 | -81.1 | -46.7 | 0 | 0 | 0 | 109.5 | S1113 | S1113-D1115 PolarHBondContact O-N 3.47Š|
| 1116 | C | 41.2 | Very low | 56 | Low | 90 Ų | 90 | 100.2 Ų | 100.2 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | trans | 171.9 | 101 | 143.9 | 47.2 | 0 | 0 | 0 | 0 | 113.2 | S1118 | C1116-S1118 PolarHBondContact O-N 3.39Š| ||
| 1117 | V | 38.9 | Very low | 56.3 | Low | 155 Ų | 155 | 108.1 Ų | 108.1 | 94% | 0.939 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -72.3 | 77 | 146.6 | 178 | 0 | 0 | 0 | 0 | 106.8 | ||
| 1118 | S | 37.5 | Very low | 57 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 173.1 | 125 | 158.3 | 38.8 | 0 | 0 | 0 | 0 | 111.4 | C1116 | C1116-S1118 PolarHBondContact O-N 3.39Š|
| 1119 | R | 39.5 | Very low | 57.6 | Low | 239 Ų | 239 | 103.5 Ų | 103.5 | 90% | 0.902 | 54% | 0.542 | S | S | * | . | trans | 50.7 | 91.2 | 152 | -63.6 | 179.2 | 176.3 | 176.2 | -1.2 | 117.2 | ||||
| 1120 | D | 44.8 | Very low | 58.4 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | trans | -141 | 92.2 | 138 | -120.9 | 4.6 | 0 | 0 | 0 | 107.9 | K1068 D1122 | K1068-D1120 IonicContact NZ-OD2 3.75Å; K1068-D1120 PolarHBondContact NZ-OD2 3.32Å; D1120-D1122 PolarHBondContact O-N 3.5Å | ||
| 1121 | R | 49.7 | Very low | 59.5 | Low | 240 Ų | 240 | 101.5 Ų | 101.5 | 91% | 0.906 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 1.5 | 175.1 | -77.9 | -175 | 178.8 | -175.8 | 0.7 | 112.5 | ||
| 1122 | D | 52.8 | Low | 61 | Low | 116 Ų | 116 | 97.6 Ų | 97.6 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 0.7 | -162.9 | -71.9 | -7.6 | 0 | 0 | 0 | 115.3 | S1067 D1120 S1124 | S1067-D1122 PolarHBondContact OG-O 3.26Å; D1120-D1122 PolarHBondContact O-N 3.5Å; D1122-S1124 PolarHBondContact O-N 3.31Å |
| 1123 | N | 56.8 | Low | 62.8 | Low | 24 Ų | 24 | 92.4 Ų | 92.4 | 13% | 0.128 | 48% | 0.481 | C | S | . | . | trans | -86.4 | 55.7 | 176.7 | -133.4 | 5.6 | 0 | 0 | 0 | 111.8 | C1066 K1068 C1109 | C1066-N1123 PolarHBondContact SG-OD1 3.23Å; K1068-N1123 WeakPolarHBondContact CB-OD1 3.42Å; C1109-N1123 WeakPolarHBondContact CB-ND2 3.2Å | ||
| 1124 | S | 69.3 | Low | 64.8 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 38% | 0.378 | 48% | 0.475 | S | S | . | . | trans | -83.8 | 116.2 | 175.7 | 61 | 0 | 0 | 0 | 0 | 110.7 | S1067 D1122 K1126 | S1067-S1124 PolarHBondContact OG-O 3.09Å; D1122-S1124 PolarHBondContact O-N 3.31Å; S1124-K1126 PolarHBondContact O-N 3.18Å | ||
| 1125 | L | 75.8 | Confident | 67 | Low | 23 Ų | 23 | 91.6 Ų | 91.6 | 12% | 0.12 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.6 | 164.9 | -73 | 173 | 0 | 0 | 0 | 108.7 | L1064 C1066 T1073 A1078 W1104 C1106 | L1064-L1125 HydrophobicContact CB-CB 4.48Å; L1064-L1125 HydrophobicContact CB-CD2 4.45Å; L1064-L1125 HydrophobicContact CD1-CD1 4.34Å; L1064-L1125 HydrophobicContact CD2-CB 4.22Å; C1066-L1125 HydrophobicContact CB-CD2 3.87Å; T1073-L1125 HydrophobicContact CG2-CD2 4.41Å; T1073-L1125 WeakPolarHBondContact OG1-CD2 3.44Å; A1078-L1125 HydrophobicContact CB-CD1 3.53Å; W1104-L1125 HydrophobicContact CB-CB 4.47Å; W1104-L1125 HydrophobicContact CB-CD1 3.82Å; C1106-L1125 HydrophobicContact CB-CD2 3.93Å; C1106-L1125 HydrophobicContact CB-CG 4.46Å |
| 1126 | K | 78.6 | Confident | 69.6 | Low | 56 Ų | 56 | 89.1 Ų | 89.1 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 145 | 178 | -67.1 | -175.9 | 175 | -174.7 | 0 | 110.7 | L1064 A1065 S1124 L1152 D1154 | L1064-K1126 WeakPolarHBondContact CA-O 3.27Å; A1065-K1126 PolarHBondContact N-O 3.41Å; A1065-K1126 PolarHBondContact O-N 3.18Å; S1124-K1126 PolarHBondContact O-N 3.18Å; K1126-L1152 HydrophobicContact CB-CD1 4.26Å; K1126-D1154 IonicContact NZ-OD1 2.65Å; K1126-D1154 PolarHBondContact NZ-OD1 3.3Å; K1126-D1154 IonicContact NZ-OD2 2.69Å; K1126-D1154 PolarHBondContact NZ-OD2 3.41Å |
| 1127 | Y | 82.4 | Confident | 72 | Confident | 166 Ų | 166 | 89 Ų | 89 | 65% | 0.651 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.5 | 172.3 | -80.6 | -75.3 | 0 | 0 | 0 | 110.7 | K1062 M1063 L1064 | K1062-Y1127 HydrophobicContact CB-CD1 4.36Å; M1063-Y1127 WeakPolarHBondContact O-CA 3.24Å; L1064-Y1127 HydrophobicContact CD2-CD1 3.79Å; L1064-Y1127 HydrophobicContact CD2-CD2 4.07Å; L1064-Y1127 HydrophobicContact CD2-CE1 3.56Å; L1064-Y1127 HydrophobicContact CD2-CE2 3.86Å; L1064-Y1127 HydrophobicContact CD2-CG 4.04Å; L1064-Y1127 HydrophobicContact CG-CD1 4.42Å; L1064-Y1127 HydrophobicContact CG-CE1 4.05Å |
| 1128 | V | 86 | Confident | 74.4 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.3 | 170.3 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | K1062 M1063 A1065 L1072 V1130 L1152 | K1062-V1128 WeakPolarHBondContact CA-O 3.43Å; M1063-V1128 HydrophobicContact CB-CG2 4.31Å; M1063-V1128 PolarHBondContact N-O 3.11Å; M1063-V1128 PolarHBondContact O-N 3.19Å; A1065-V1128 HydrophobicContact CB-CG1 4.07Å; A1065-V1128 HydrophobicContact CB-CG2 3.83Å; L1072-V1128 HydrophobicContact CD2-CG2 3.83Å; V1128-V1130 HydrophobicContact CG2-CG1 4.15Å; V1128-L1152 HydrophobicContact CG1-CD2 3.53Å |
| 1129 | K | 85.7 | Confident | 76.8 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.5 | 171.7 | -70.6 | 162.1 | 173.8 | 175.6 | 0 | 107.4 | K1060 K1062 | K1060-K1129 HydrophobicContact CG-CB 4.45Å; K1062-K1129 HydrophobicContact CG-CG 4.41Å |
| 1130 | V | 87.4 | Confident | 79.4 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 165.5 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 109.4 | V1061 M1063 V1128 F1134 | V1061-V1130 PolarHBondContact N-O 3.14Å; V1061-V1130 PolarHBondContact O-N 3.27Å; M1063-V1130 HydrophobicContact CB-CG2 4.45Å; M1063-V1130 HydrophobicContact CG-CG2 4Å; M1063-V1130 HydrophobicContact SD-CG2 3.91Å; V1128-V1130 HydrophobicContact CG2-CG1 4.15Å; V1130-F1134 HydrophobicContact CB-CD1 4.06Å; V1130-F1134 HydrophobicContact CG1-CD1 4.14Å; V1130-F1134 HydrophobicContact CG1-CE1 4.5Å |
| 1131 | S | 88.8 | Confident | 81.6 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 145.1 | 167.4 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | D1059 S1133 F1134 R1135 | D1059-S1131 CarbonylContact O-C 3.27Å; D1059-S1131 VanDerWaalsContact O-CA 3.29Å; D1059-S1131 WeakPolarHBondContact O-CA 3.16Å; D1059-S1131 WeakPolarHBondContact OD1-CB 3.36Å; S1131-S1133 VanDerWaalsContact CB-OG 3.25Å; S1131-S1133 WeakPolarHBondContact CB-OG 3.42Å; S1131-S1133 PolarHBondContact O-N 3.46Å; S1131-S1133 PolarHBondContact OG-OG 3.31Å; S1131-F1134 WeakPolarHBondContact O-CB 3.35Å; S1131-F1134 PolarHBondContact O-N 3.39Å; S1131-F1134 VanDerWaalsContact O-N 3.11Å; S1131-F1134 WeakPolarHBondContact OG-CB 3.44Å; S1131-F1134 PolarHBondContact OG-N 2.67Å; S1131-R1135 PolarHBondContact O-N 3.18Å |
| 1132 | A | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -34.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | L1017 R1018 D1059 V1061 F1134 R1135 Y1136 | L1017-A1132 WeakPolarHBondContact O-CB 3.07Å; R1018-A1132 HydrophobicContact CB-CB 4.04Å; R1018-A1132 HydrophobicContact CG-CB 4.02Å; D1059-A1132 PolarHBondContact O-N 3.11Å; D1059-A1132 VanDerWaalsContact OD1-CA 3.24Å; D1059-A1132 WeakPolarHBondContact OD1-CA 3.46Å; D1059-A1132 WeakPolarHBondContact OD1-CB 3.5Å; D1059-A1132 PolarHBondContact OD1-N 2.9Å; V1061-A1132 HydrophobicContact CG2-CB 3.64Å; A1132-F1134 VanDerWaalsContact C-N 3.35Å; A1132-R1135 WeakPolarHBondContact O-CB 3.25Å; A1132-R1135 PolarHBondContact O-N 3.34Å; A1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; A1132-Y1136 PolarHBondContact O-N 3.26Å |
| 1133 | S | 89.4 | Confident | 85.3 | Confident | 39 Ų | 39 | 64 Ų | 64 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 168.6 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | D1059 S1131 Y1136 L1137 | D1059-S1133 PolarHBondContact OD1-N 3.42Å; D1059-S1133 PolarHBondContact OD1-OG 3.32Å; D1059-S1133 PolarHBondContact OD2-OG 2.83Å; S1131-S1133 VanDerWaalsContact CB-OG 3.25Å; S1131-S1133 WeakPolarHBondContact CB-OG 3.42Å; S1131-S1133 PolarHBondContact O-N 3.46Å; S1131-S1133 PolarHBondContact OG-OG 3.31Å; S1133-Y1136 PolarHBondContact O-N 3.21Å; S1133-L1137 WeakPolarHBondContact O-CB 3.41Å; S1133-L1137 PolarHBondContact O-N 3.18Å |
| 1134 | F | 89.9 | Confident | 87 | Confident | 69 Ų | 69 | 69 Ų | 69 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 174.1 | -177.6 | -102.8 | 0 | 0 | 0 | 111.9 | L1072 V1130 S1131 A1132 Y1136 L1137 T1138 L1150 | L1072-F1134 HydrophobicContact CD1-CD1 4.38Å; L1072-F1134 HydrophobicContact CD1-CE1 4.09Å; V1130-F1134 HydrophobicContact CB-CD1 4.06Å; V1130-F1134 HydrophobicContact CG1-CD1 4.14Å; V1130-F1134 HydrophobicContact CG1-CE1 4.5Å; S1131-F1134 WeakPolarHBondContact O-CB 3.35Å; S1131-F1134 PolarHBondContact O-N 3.39Å; S1131-F1134 VanDerWaalsContact O-N 3.11Å; S1131-F1134 WeakPolarHBondContact OG-CB 3.44Å; S1131-F1134 PolarHBondContact OG-N 2.67Å; A1132-F1134 VanDerWaalsContact C-N 3.35Å; F1134-Y1136 VanDerWaalsContact C-N 3.32Å; F1134-Y1136 PolarHBondContact O-N 2.89Å; F1134-L1137 WeakPolarHBondContact O-CB 3.47Å; F1134-L1137 PolarHBondContact O-N 2.89Å; F1134-T1138 HydrophobicContact CD1-CG2 4.17Å; F1134-T1138 HydrophobicContact CE1-CG2 3.78Å; F1134-T1138 HydrophobicContact CE2-CG2 4.4Å; F1134-T1138 HydrophobicContact CZ-CG2 3.9Å; F1134-T1138 WeakPolarHBondContact O-CG2 3.27Å; F1134-T1138 PolarHBondContact O-N 3.35Å; F1134-L1150 HydrophobicContact CE1-CD1 4.43Å; F1134-L1150 HydrophobicContact CE1-CD2 4.16Å; F1134-L1150 HydrophobicContact CZ-CD2 4Å |
| 1135 | R | 88 | Confident | 88 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.6 | -48.3 | 172.8 | 176.7 | -176.3 | 71.6 | 167.4 | 3.7 | 111.4 | M1063 S1131 A1132 L1137 T1138 Y1139 | M1063-R1135 HydrophobicContact CE-CG 3.85Å; M1063-R1135 HydrophobicContact SD-CB 3.71Å; M1063-R1135 VanDerWaalsContact SD-CD 3.52Å; M1063-R1135 HydrophobicContact SD-CG 3.46Å; M1063-R1135 WeakPolarHBondContact SD-CG 3.39Å; S1131-R1135 PolarHBondContact O-N 3.18Å; A1132-R1135 WeakPolarHBondContact O-CB 3.25Å; A1132-R1135 PolarHBondContact O-N 3.34Å; R1135-L1137 VanDerWaalsContact C-N 3.33Å; R1135-L1137 PolarHBondContact O-N 3.43Å; R1135-T1138 PolarHBondContact O-N 2.93Å; R1135-T1138 PolarHBondContact O-OG1 3.37Å; R1135-Y1139 PolarHBondContact O-N 3.06Å; R1135-Y1139 VanDerWaalsContact O-N 3.1Å |
| 1136 | Y | 90.6 | Very high | 88.6 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 179.2 | -176.6 | -117.2 | 0 | 0 | 0 | 111.3 | I1016 L1017 A1132 S1133 F1134 T1138 Y1139 E1140 | I1016-Y1136 HydrophobicContact CG2-CD2 3.72Å; I1016-Y1136 HydrophobicContact CG2-CE2 3.94Å; I1016-Y1136 HydrophobicContact CG2-CG 4.14Å; L1017-Y1136 HydrophobicContact CD2-CD1 3.8Å; L1017-Y1136 HydrophobicContact CD2-CG 4.21Å; A1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; A1132-Y1136 PolarHBondContact O-N 3.26Å; S1133-Y1136 PolarHBondContact O-N 3.21Å; F1134-Y1136 VanDerWaalsContact C-N 3.32Å; F1134-Y1136 PolarHBondContact O-N 2.89Å; Y1136-T1138 PolarHBondContact O-N 2.93Å; Y1136-Y1139 WeakPolarHBondContact O-CB 3.43Å; Y1136-Y1139 PolarHBondContact O-N 3.36Å; Y1136-E1140 HydrophobicContact CD1-CG 4.45Å; Y1136-E1140 HydrophobicContact CD2-CG 4.46Å; Y1136-E1140 HydrophobicContact CE1-CG 4.02Å; Y1136-E1140 HydrophobicContact CE2-CG 3.98Å; Y1136-E1140 VanDerWaalsContact CE2-OE1 3.26Å; Y1136-E1140 WeakPolarHBondContact CE2-OE1 3.43Å; Y1136-E1140 WeakPolarHBondContact O-CG 3.47Å; Y1136-E1140 PolarHBondContact O-N 3.01Å; Y1136-E1140 PolarHBondContact OH-OE1 3.45Å |
| 1137 | L | 91.9 | Very high | 88.9 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 173 | 177.5 | 65.5 | 0 | 0 | 0 | 112.3 | S1133 F1134 R1135 Y1139 E1140 L1141 | S1133-L1137 WeakPolarHBondContact O-CB 3.41Å; S1133-L1137 PolarHBondContact O-N 3.18Å; F1134-L1137 WeakPolarHBondContact O-CB 3.47Å; F1134-L1137 PolarHBondContact O-N 2.89Å; R1135-L1137 VanDerWaalsContact C-N 3.33Å; R1135-L1137 PolarHBondContact O-N 3.43Å; L1137-Y1139 PolarHBondContact O-N 3.34Å; L1137-E1140 PolarHBondContact O-N 2.79Å; L1137-L1141 HydrophobicContact CD1-CD1 4.14Å; L1137-L1141 HydrophobicContact CD1-CG 4.12Å; L1137-L1141 HydrophobicContact CG-CD1 3.98Å; L1137-L1141 HydrophobicContact CG-CG 4.36Å; L1137-L1141 WeakPolarHBondContact O-CB 3.45Å; L1137-L1141 VanDerWaalsContact O-CG 3.29Å; L1137-L1141 WeakPolarHBondContact O-CG 3.45Å; L1137-L1141 PolarHBondContact O-N 2.96Å |
| 1138 | T | 88.9 | Confident | 89 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -32.7 | 178.5 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | L1072 F1134 R1135 Y1136 A1142 T1148 | L1072-T1138 HydrophobicContact CD1-CG2 3.97Å; F1134-T1138 HydrophobicContact CD1-CG2 4.17Å; F1134-T1138 HydrophobicContact CE1-CG2 3.78Å; F1134-T1138 HydrophobicContact CE2-CG2 4.4Å; F1134-T1138 HydrophobicContact CZ-CG2 3.9Å; F1134-T1138 WeakPolarHBondContact O-CG2 3.27Å; F1134-T1138 PolarHBondContact O-N 3.35Å; R1135-T1138 PolarHBondContact O-N 2.93Å; R1135-T1138 PolarHBondContact O-OG1 3.37Å; Y1136-T1138 PolarHBondContact O-N 2.93Å; T1138-A1142 WeakPolarHBondContact O-CB 3.39Å; T1138-A1142 PolarHBondContact O-N 3.41Å; T1138-T1148 HydrophobicContact CG2-CG2 3.96Å |
| 1139 | Y | 88 | Confident | 89 | Confident | 148 Ų | 148 | 83.5 Ų | 83.5 | 58% | 0.58 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.4 | -49.5 | 175.4 | -179.7 | -96.9 | 0 | 0 | 0 | 111.8 | R1135 Y1136 L1137 L1141 A1142 C1143 | R1135-Y1139 PolarHBondContact O-N 3.06Å; R1135-Y1139 VanDerWaalsContact O-N 3.1Å; Y1136-Y1139 WeakPolarHBondContact O-CB 3.43Å; Y1136-Y1139 PolarHBondContact O-N 3.36Å; L1137-Y1139 PolarHBondContact O-N 3.34Å; Y1139-L1141 VanDerWaalsContact C-N 3.31Å; Y1139-L1141 PolarHBondContact O-N 3.17Å; Y1139-A1142 WeakPolarHBondContact O-CB 3.44Å; Y1139-A1142 PolarHBondContact O-N 3.37Å; Y1139-A1142 VanDerWaalsContact O-N 3.1Å; Y1139-C1143 PolarHBondContact O-N 3.24Å; Y1139-C1143 PolarHBondContact O-SG 3.05Å |
| 1140 | E | 93.4 | Very high | 89 | Confident | 76 Ų | 76 | 78.9 Ų | 78.9 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 177 | -69.2 | -65.3 | 156 | 0 | 0 | 111.9 | Y1136 L1137 C1143 L1144 | Y1136-E1140 HydrophobicContact CD1-CG 4.45Å; Y1136-E1140 HydrophobicContact CD2-CG 4.46Å; Y1136-E1140 HydrophobicContact CE1-CG 4.02Å; Y1136-E1140 HydrophobicContact CE2-CG 3.98Å; Y1136-E1140 VanDerWaalsContact CE2-OE1 3.26Å; Y1136-E1140 WeakPolarHBondContact CE2-OE1 3.43Å; Y1136-E1140 WeakPolarHBondContact O-CG 3.47Å; Y1136-E1140 PolarHBondContact O-N 3.01Å; Y1136-E1140 PolarHBondContact OH-OE1 3.45Å; L1137-E1140 PolarHBondContact O-N 2.79Å; E1140-C1143 WeakPolarHBondContact O-CB 3.2Å; E1140-C1143 PolarHBondContact O-N 3.1Å; E1140-L1144 PolarHBondContact O-N 2.95Å |
| 1141 | L | 92.8 | Very high | 88.9 | Confident | 49 Ų | 49 | 82.9 Ų | 82.9 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 173 | -73.1 | 176.9 | 0 | 0 | 0 | 111.8 | L1137 Y1139 C1143 L1144 N1145 V1146 T1148 | L1137-L1141 HydrophobicContact CD1-CD1 4.14Å; L1137-L1141 HydrophobicContact CD1-CG 4.12Å; L1137-L1141 HydrophobicContact CG-CD1 3.98Å; L1137-L1141 HydrophobicContact CG-CG 4.36Å; L1137-L1141 WeakPolarHBondContact O-CB 3.45Å; L1137-L1141 VanDerWaalsContact O-CG 3.29Å; L1137-L1141 WeakPolarHBondContact O-CG 3.45Å; L1137-L1141 PolarHBondContact O-N 2.96Å; Y1139-L1141 VanDerWaalsContact C-N 3.31Å; Y1139-L1141 PolarHBondContact O-N 3.17Å; L1141-C1143 VanDerWaalsContact C-N 3.31Å; L1141-C1143 PolarHBondContact O-N 3.37Å; L1141-L1144 CarbonylContact O-C 3.48Å; L1141-L1144 WeakPolarHBondContact O-CA 3.37Å; L1141-L1144 WeakPolarHBondContact O-CB 3.4Å; L1141-L1144 PolarHBondContact O-N 3.44Å; L1141-N1145 PolarHBondContact O-N 2.65Å; L1141-V1146 CarbonylContact C-O 3.46Å; L1141-V1146 VanDerWaalsContact C-O 3.29Å; L1141-V1146 HydrophobicContact CB-CB 4.09Å; L1141-V1146 HydrophobicContact CB-CG1 4.37Å; L1141-V1146 HydrophobicContact CD2-CB 4.24Å; L1141-V1146 HydrophobicContact CD2-CG1 4.23Å; L1141-V1146 WeakPolarHBondContact O-CA 3.41Å; L1141-V1146 WeakPolarHBondContact O-CB 3.41Å; L1141-V1146 PolarHBondContact O-N 2.95Å; L1141-T1148 HydrophobicContact CB-CG2 4.39Å; L1141-T1148 HydrophobicContact CD1-CG2 3.72Å |
| 1142 | A | 87.2 | Confident | 88.5 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1138 Y1139 L1144 N1145 V1146 | T1138-A1142 WeakPolarHBondContact O-CB 3.39Å; T1138-A1142 PolarHBondContact O-N 3.41Å; Y1139-A1142 WeakPolarHBondContact O-CB 3.44Å; Y1139-A1142 PolarHBondContact O-N 3.37Å; Y1139-A1142 VanDerWaalsContact O-N 3.1Å; A1142-L1144 PolarHBondContact O-N 2.94Å; A1142-N1145 WeakPolarHBondContact O-CA 3.45Å; A1142-N1145 PolarHBondContact O-N 3.18Å; A1142-V1146 PolarHBondContact N-O 3.26Å |
| 1143 | C | 91.2 | Very high | 88.1 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 52% | 0.52 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.4 | -27.1 | 172.3 | -68 | 0 | 0 | 0 | 0 | 113 | Y1139 E1140 L1141 N1145 | Y1139-C1143 PolarHBondContact O-N 3.24Å; Y1139-C1143 PolarHBondContact O-SG 3.05Å; E1140-C1143 WeakPolarHBondContact O-CB 3.2Å; E1140-C1143 PolarHBondContact O-N 3.1Å; L1141-C1143 VanDerWaalsContact C-N 3.31Å; L1141-C1143 PolarHBondContact O-N 3.37Å; C1143-N1145 VanDerWaalsContact C-N 3.29Å |
| 1144 | L | 93.3 | Very high | 87.2 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.8 | 172.6 | -63 | 174.1 | 0 | 0 | 0 | 113.2 | E1140 L1141 A1142 V1146 | E1140-L1144 PolarHBondContact O-N 2.95Å; L1141-L1144 CarbonylContact O-C 3.48Å; L1141-L1144 WeakPolarHBondContact O-CA 3.37Å; L1141-L1144 WeakPolarHBondContact O-CB 3.4Å; L1141-L1144 PolarHBondContact O-N 3.44Å; A1142-L1144 PolarHBondContact O-N 2.94Å; L1144-V1146 HydrophobicContact CB-CG2 4.31Å; L1144-V1146 PolarHBondContact O-N 2.71Å |
| 1145 | N | 90.1 | Very high | 85.9 | Confident | 155 Ų | 155 | 99.4 Ų | 99.4 | 83% | 0.829 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 22.3 | -173.4 | -62.1 | -45 | 0 | 0 | 0 | 114.4 | L1141 A1142 C1143 | L1141-N1145 PolarHBondContact O-N 2.65Å; A1142-N1145 WeakPolarHBondContact O-CA 3.45Å; A1142-N1145 PolarHBondContact O-N 3.18Å; C1143-N1145 VanDerWaalsContact C-N 3.29Å |
| 1146 | V | 89.1 | Confident | 83.8 | Confident | 73 Ų | 73 | 108.1 Ų | 108.1 | 44% | 0.442 | 55% | 0.55 | S | S | . | * | trans | -93.3 | 113.2 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | L1141 A1142 L1144 | L1141-V1146 CarbonylContact C-O 3.46Å; L1141-V1146 VanDerWaalsContact C-O 3.29Å; L1141-V1146 HydrophobicContact CB-CB 4.09Å; L1141-V1146 HydrophobicContact CB-CG1 4.37Å; L1141-V1146 HydrophobicContact CD2-CB 4.24Å; L1141-V1146 HydrophobicContact CD2-CG1 4.23Å; L1141-V1146 WeakPolarHBondContact O-CA 3.41Å; L1141-V1146 WeakPolarHBondContact O-CB 3.41Å; L1141-V1146 PolarHBondContact O-N 2.95Å; A1142-V1146 PolarHBondContact N-O 3.26Å; L1144-V1146 HydrophobicContact CB-CG2 4.31Å; L1144-V1146 PolarHBondContact O-N 2.71Å | ||
| 1147 | K | 83.6 | Confident | 83.5 | Confident | 170 Ų | 170 | 109 Ų | 109 | 74% | 0.739 | 56% | 0.56 | S | S | * | * | trans | -86.3 | 121.6 | -178.9 | -173.9 | 176.1 | -179 | 175.9 | 0 | 111.4 | ||||
| 1148 | T | 84.8 | Confident | 83 | Confident | 40 Ų | 40 | 110 Ų | 110 | 25% | 0.245 | 56% | 0.564 | C | S | . | * | trans | -90.3 | 126.9 | 172.7 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | T1138 L1141 | T1138-T1148 HydrophobicContact CG2-CG2 3.96Å; L1141-T1148 HydrophobicContact CB-CG2 4.39Å; L1141-T1148 HydrophobicContact CD1-CG2 3.72Å | ||
| 1149 | R | 87.1 | Confident | 82.7 | Confident | 192 Ų | 192 | 115.3 Ų | 115.3 | 73% | 0.725 | 59% | 0.591 | S | S | * | * | trans | -119 | 122.3 | 178.4 | -175.8 | 175.9 | -174.5 | -178.3 | 1.9 | 110.4 | ||||
| 1150 | L | 85.5 | Confident | 82.4 | Confident | 46 Ų | 46 | 113.4 Ų | 113.4 | 24% | 0.241 | 59% | 0.592 | C | S | . | * | trans | -99.1 | 130.1 | 176 | -61 | 174 | 0 | 0 | 0 | 110.6 | G1070 L1072 F1134 L1152 | G1070-L1150 WeakPolarHBondContact CA-O 3.44Å; G1070-L1150 WeakPolarHBondContact O-CB 3.16Å; G1070-L1150 PolarHBondContact O-N 3.29Å; L1072-L1150 HydrophobicContact CD1-CD1 4.18Å; L1072-L1150 HydrophobicContact CD2-CD1 3.7Å; L1072-L1150 HydrophobicContact CG-CD1 3.75Å; F1134-L1150 HydrophobicContact CE1-CD1 4.43Å; F1134-L1150 HydrophobicContact CE1-CD2 4.16Å; F1134-L1150 HydrophobicContact CZ-CD2 4Å; L1150-L1152 HydrophobicContact CB-CD2 4.43Å | ||
| 1151 | S | 85.3 | Confident | 81.7 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | trans | -87.5 | 113.7 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1152 | L | 79.9 | Confident | 81 | Confident | 50 Ų | 50 | 120.2 Ų | 120.2 | 26% | 0.262 | 63% | 0.63 | S | S | . | * | trans | -95.5 | 119.8 | 180 | -55.5 | 176.6 | 0 | 0 | 0 | 109.8 | A1065 K1126 V1128 L1150 | A1065-L1152 HydrophobicContact CB-CD1 3.6Å; A1065-L1152 HydrophobicContact CB-CD2 4.01Å; A1065-L1152 HydrophobicContact CB-CG 4.33Å; K1126-L1152 HydrophobicContact CB-CD1 4.26Å; V1128-L1152 HydrophobicContact CG1-CD2 3.53Å; L1150-L1152 HydrophobicContact CB-CD2 4.43Å | ||
| 1153 | I | 79.6 | Confident | 80.5 | Confident | 147 Ų | 147 | 124.7 Ų | 124.7 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | trans | -121.2 | 132.8 | 175.5 | -54.1 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 1154 | D | 71.9 | Confident | 79.7 | Confident | 113 Ų | 113 | 128.4 Ų | 128.4 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | trans | -76.3 | 125 | 171.5 | -65.1 | -32 | 0 | 0 | 0 | 107.8 | K1126 E1156 | K1126-D1154 IonicContact NZ-OD1 2.65Å; K1126-D1154 PolarHBondContact NZ-OD1 3.3Å; K1126-D1154 IonicContact NZ-OD2 2.69Å; K1126-D1154 PolarHBondContact NZ-OD2 3.41Å; D1154-E1156 PolarHBondContact O-N 3.49Å | ||
| 1155 | L | 62.6 | Low | 78.6 | Confident | 174 Ų | 174 | 128.4 Ų | 128.4 | 91% | 0.911 | 65% | 0.649 | S | S | * | * | trans | -77.5 | 118.4 | 170.4 | -72 | 158.4 | 0 | 0 | 0 | 106.7 | ||||
| 1156 | E | 43.7 | Very low | 77.5 | Confident | 272 Ų | 272 | 126 Ų | 126 | 100% | 1.271 | 63% | 0.632 | S | S | * | * | trans | -60.1 | 0 | 177.5 | -72.6 | -175.2 | 162.6 | 0 | 0 | 113.5 | D1154 | D1154-E1156 PolarHBondContact O-N 3.49Š|
Retrieved 1,156 of 1,156 residues in 344.1 ms
(Link to these results)