W8GKU3_SCHMA Loading...

Prolyl endopeptidase

AlphaFold DB , UniProt , Accession W8GKU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 712 aa.

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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
1M41.3Very low74.3Confident172 Ų172107.1 Ų107.185%0.84755%0.554SS**  0125.80-66-178.9-150.100106.6H3 S707M1-H3 PolarHBondContact O-N 2.98Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-S707 WeakPolarHBondContact CE-OG 3.27Å
2E35.3Very low76.1Confident178 Ų178108 Ų10883%0.83255%0.546SS*.  trans-54.2120.7167.6-77.9175.6150.900107.7T4E2-T4 PolarHBondContact O-N 3.3Å
3H48.9Very low77.7Confident164 Ų164104.5 Ų104.576%0.75953%0.525SS*.  trans-65.781.6171.8-76.4-76.2000107.7M1 S5M1-H3 PolarHBondContact O-N 2.98Å; M1-H3 VanDerWaalsContact O-N 3.15Å; H3-S5 VanDerWaalsContact C-N 3.34Å; H3-S5 PolarHBondContact O-N 3.4Å
4T54.8Low79Confident82 Ų8299.7 Ų99.750%0.50350%0.502SS..  trans-67.199170.436.20000106.7E2 I6 K58E2-T4 PolarHBondContact O-N 3.3Å; T4-I6 PolarHBondContact O-N 3.26Å; T4-K58 PolarHBondContact OG1-NZ 3.17Å
5S77.5Confident80.1Confident114 Ų114100.4 Ų100.480%0.79750%0.503SS*.  trans-51.4123.7177.553.10000109.7H3 N7H3-S5 VanDerWaalsContact C-N 3.34Å; H3-S5 PolarHBondContact O-N 3.4Å; S5-N7 PolarHBondContact O-N 3.15Å
6I90.4Very high81.2Confident42 Ų42100.3 Ų100.322%0.21551%0.514CS..  trans-73.1125.2172.8-61.6169.5000107.2T4 Y8 F55 P671 L673T4-I6 PolarHBondContact O-N 3.26Å; I6-Y8 HydrophobicContact CB-CD2 4.37Å; I6-Y8 HydrophobicContact CB-CE1 4.47Å; I6-Y8 HydrophobicContact CB-CE2 3.87Å; I6-Y8 HydrophobicContact CG2-CD1 4.05Å; I6-Y8 HydrophobicContact CG2-CD2 4.18Å; I6-Y8 HydrophobicContact CG2-CE1 3.79Å; I6-Y8 HydrophobicContact CG2-CE2 3.96Å; I6-Y8 HydrophobicContact CG2-CG 4.24Å; I6-Y8 WeakPolarHBondContact O-CD2 3.3Å; I6-Y8 PolarHBondContact O-N 3.1Å; I6-F55 HydrophobicContact CD1-CD2 3.74Å; I6-F55 HydrophobicContact CD1-CE2 4.22Å; I6-F55 HydrophobicContact CG1-CD2 4.42Å; I6-P671 HydrophobicContact CD1-CB 3.59Å; I6-L673 HydrophobicContact CD1-CD2 4.47Å
7N92.3Very high82.1Confident144 Ų14496.2 Ų96.277%0.7750%0.495SS*.  trans-85.793.6172.8-169.925000108.8S5S5-N7 PolarHBondContact O-N 3.15Å
8Y95.3Very high82.8Confident29 Ų2995.2 Ų95.211%0.11449%0.49CS..PPolyproline II helixtrans-68140.4177.7-65.9-80000110.4I6 I51 Q659 C663 I672 L673I6-Y8 HydrophobicContact CB-CD2 4.37Å; I6-Y8 HydrophobicContact CB-CE1 4.47Å; I6-Y8 HydrophobicContact CB-CE2 3.87Å; I6-Y8 HydrophobicContact CG2-CD1 4.05Å; I6-Y8 HydrophobicContact CG2-CD2 4.18Å; I6-Y8 HydrophobicContact CG2-CE1 3.79Å; I6-Y8 HydrophobicContact CG2-CE2 3.96Å; I6-Y8 HydrophobicContact CG2-CG 4.24Å; I6-Y8 WeakPolarHBondContact O-CD2 3.3Å; I6-Y8 PolarHBondContact O-N 3.1Å; Y8-I51 HydrophobicContact CD1-CD1 3.68Å; Y8-I51 HydrophobicContact CE1-CD1 4.12Å; Y8-Q659 HydrophobicContact CD1-CG 3.85Å; Y8-Q659 HydrophobicContact CE1-CG 4.18Å; Y8-C663 HydrophobicContact CD2-CB 3.42Å; Y8-C663 VanDerWaalsContact CD2-CB 3.42Å; Y8-C663 HydrophobicContact CE2-CB 3.42Å; Y8-C663 VanDerWaalsContact CE2-CB 3.42Å; Y8-C663 WeakPolarHBondContact CE2-SG 3.42Å; Y8-C663 HydrophobicContact CG-CB 4Å; Y8-I672 VanDerWaalsContact CE1-O 3.3Å; Y8-I672 WeakPolarHBondContact CE1-O 3.4Å; Y8-I672 PolarHBondContact OH-N 3.17Å; Y8-L673 HydrophobicContact CE1-CD2 4.35Å
9P93.3Very high83.5Confident33 Ų3392.6 Ų92.621%0.21448%0.475CS..PPolyproline II helixtrans-64.8143.9178.928.5-34.5000110.1I11 A47P9-I11 PolarHBondContact O-N 3.04Å; P9-A47 HydrophobicContact CB-CB 4.1Å; P9-A47 HydrophobicContact CG-CB 4.33Å
10E92.2Very high84.1Confident193 Ų19394.5 Ų94.590%0.90248%0.482SS*.PPolyproline II helixtrans-67.1127.6166.4-69.1-173.1172.600109.3
11I95.6Very high84.6Confident27 Ų2790.9 Ų90.914%0.13846%0.463CS..  trans-109.3120.2-177.8-53.8167000108P9 K13 Y30 W32 F44 A656 Q659P9-I11 PolarHBondContact O-N 3.04Å; I11-K13 PolarHBondContact O-N 2.93Å; I11-Y30 HydrophobicContact CB-CE1 4.14Å; I11-Y30 HydrophobicContact CG2-CD1 3.8Å; I11-Y30 HydrophobicContact CG2-CE1 3.5Å; I11-Y30 VanDerWaalsContact CG2-CE1 3.5Å; I11-W32 HydrophobicContact CG2-CZ2 3.92Å; I11-F44 HydrophobicContact CD1-CE2 3.88Å; I11-F44 HydrophobicContact CG1-CD2 4.38Å; I11-F44 HydrophobicContact CG1-CE2 4.14Å; I11-F44 HydrophobicContact CG2-CD2 4.22Å; I11-F44 HydrophobicContact CG2-CE2 4.18Å; I11-A656 HydrophobicContact CD1-CB 3.81Å; I11-A656 HydrophobicContact CG2-CB 4.17Å; I11-Q659 HydrophobicContact CD1-CB 4.46Å
12Y96.4Very high87.2Confident118 Ų11886.9 Ų86.946%0.46344%0.441SS..  trans-57.7126.7176.6173.4-99.9000111.2D14 W32 R40Y12-D14 HydrophobicContact CE1-CB 3.97Å; Y12-W32 AromaticContact CD1-NE1 3.78Å; Y12-W32 PolarHBondContact O-NE1 2.81Å; Y12-R40 VanDerWaalsContact CD1-CZ 3.5Å
13K96.3Very high90.1Very high63 Ų6381.1 Ų81.127%0.27443%0.43SS..  trans-103.7125.2174.7-63.7-175.771.6-165.70109.7I11 E15 P29 Y30 E660I11-K13 PolarHBondContact O-N 2.93Å; K13-E15 WeakPolarHBondContact CE-OE1 3.47Å; K13-E15 IonicContact NZ-OE1 2.74Å; K13-E15 PolarHBondContact NZ-OE1 3.12Å; K13-E15 IonicContact NZ-OE2 3.99Å; K13-E15 PolarHBondContact O-N 2.9Å; K13-P29 HydrophobicContact CB-CB 4.12Å; K13-Y30 HydrophobicContact CG-CE1 3.76Å; K13-Y30 WeakPolarHBondContact CG-OH 3.44Å; K13-E660 HydrophobicContact CD-CG 4.33Å; K13-E660 WeakPolarHBondContact CE-OE1 3.35Å; K13-E660 IonicContact NZ-OE1 2.73Å; K13-E660 PolarHBondContact NZ-OE1 2.93Å
14D97.1Very high92.3Very high37 Ų3776.3 Ų76.320%0.19841%0.412CS..  trans-92.787.1166.5-179.212.4000110.1Y12 S16 T17 P29Y12-D14 HydrophobicContact CE1-CB 3.97Å; D14-S16 PolarHBondContact O-N 2.78Å; D14-S16 WeakPolarHBondContact OD1-CB 3.49Å; D14-S16 PolarHBondContact OD1-N 2.74Å; D14-S16 VanDerWaalsContact OD1-N 3.09Å; D14-S16 PolarHBondContact OD1-OG 2.73Å; D14-T17 PolarHBondContact O-N 3.07Å; D14-T17 VanDerWaalsContact O-N 3.13Å; D14-T17 PolarHBondContact OD2-OG1 3.09Å; D14-P29 PolarHBondContact N-O 2.92Å; D14-P29 WeakPolarHBondContact O-CA 3.25Å
15E95.3Very high94.3Very high110 Ų11077 Ų7751%0.51441%0.409SS..THydrogen-bonded Turntrans-63.7-11.8179.7-59.7-69176.900113.2K13K13-E15 WeakPolarHBondContact CE-OE1 3.47Å; K13-E15 IonicContact NZ-OE1 2.74Å; K13-E15 PolarHBondContact NZ-OE1 3.12Å; K13-E15 IonicContact NZ-OE2 3.99Å; K13-E15 PolarHBondContact O-N 2.9Å
16S96.5Very high95.2Very high98 Ų9872 Ų7269%0.68537%0.373SS*.THydrogen-bonded Turntrans-81.7-16.517777.30000113.4D14 I18D14-S16 PolarHBondContact O-N 2.78Å; D14-S16 WeakPolarHBondContact OD1-CB 3.49Å; D14-S16 PolarHBondContact OD1-N 2.74Å; D14-S16 VanDerWaalsContact OD1-N 3.09Å; D14-S16 PolarHBondContact OD1-OG 2.73Å; S16-I18 PolarHBondContact O-N 3.28Å; S16-I18 VanDerWaalsContact O-N 3.08Å
17T96.6Very high95.5Very high32 Ų3275.3 Ų75.320%0.19639%0.388CS..  trans-79.995.5178.4-660000110.8D14 D28 R31D14-T17 PolarHBondContact O-N 3.07Å; D14-T17 VanDerWaalsContact O-N 3.13Å; D14-T17 PolarHBondContact OD2-OG1 3.09Å; T17-D28 WeakPolarHBondContact CB-O 3.39Å; T17-D28 HydrophobicContact CG2-CB 4.15Å; T17-D28 WeakPolarHBondContact CG2-O 3.33Å; T17-D28 PolarHBondContact O-N 3.22Å; T17-R31 HydrophobicContact CG2-CB 3.68Å; T17-R31 HydrophobicContact CG2-CG 4.04Å
18I96.3Very high95.8Very high77 Ų7768.7 Ų68.740%0.39535%0.352SS..EExtended strand (participates in β ladder)trans-128.1128.5175.3-53.2174.9000108.4S16 Q25 I26S16-I18 PolarHBondContact O-N 3.28Å; S16-I18 VanDerWaalsContact O-N 3.08Å; I18-Q25 HydrophobicContact CG2-CB 4.13Å; I18-I26 WeakPolarHBondContact CA-O 3.22Å
19E94.5Very high95.9Very high46 Ų4668.2 Ų68.222%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-108.2125.4175.3-174.3176.215500109.2I26 R31 R587E19-I26 HydrophobicContact CB-CB 4.46Å; E19-I26 PolarHBondContact N-O 3.3Å; E19-I26 WeakPolarHBondContact O-CB 3.45Å; E19-I26 PolarHBondContact O-N 3.14Å; E19-R31 IonicContact OE2-CZ 3.09Å; E19-R31 IonicContact OE2-NH1 2.69Å; E19-R31 IonicContact OE2-NH2 3.33Å; E19-R31 PolarHBondContact OE2-NH2 2.79Å; E19-R587 IonicContact OE2-NH1 3.83Å; E19-R587 PolarHBondContact OE2-NH1 2.81Å
20E95.3Very high96.2Very high130 Ų13066.8 Ų66.861%0.60734%0.343SS*.EExtended strand (participates in β ladder)trans-91.4124.5170.9-174.8179.4147.100110Q25E20-Q25 PolarHBondContact OE2-NE2 3.31Å
21K94.8Very high96.5Very high19 Ų1960.1 Ų60.18%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-137.1121.2177-159.9169.7-166.5175.90111.4G23 V24 I26 P604 D605 F610K21-G23 PolarHBondContact O-N 2.92Å; K21-G23 VanDerWaalsContact O-N 3.12Å; K21-V24 PolarHBondContact N-O 3.23Å; K21-V24 WeakPolarHBondContact O-CB 3.45Å; K21-V24 PolarHBondContact O-N 2.75Å; K21-I26 HydrophobicContact CB-CD1 4.04Å; K21-P604 WeakPolarHBondContact CE-O 3.25Å; K21-P604 PolarHBondContact NZ-O 3.07Å; K21-D605 WeakPolarHBondContact CE-OD1 3.37Å; K21-D605 IonicContact NZ-OD1 2.79Å; K21-D605 PolarHBondContact NZ-OD1 3.31Å; K21-F610 HydrophobicContact CB-CE2 4.16Å; K21-F610 HydrophobicContact CB-CZ 4.1Å; K21-F610 HydrophobicContact CD-CD2 3.81Å; K21-F610 HydrophobicContact CD-CE2 3.79Å; K21-F610 HydrophobicContact CG-CD2 4.36Å; K21-F610 HydrophobicContact CG-CE2 4.23Å
22F97.1Very high96.6Very high89 Ų8960.6 Ų60.639%0.3931%0.31SS..THydrogen-bonded Turntrans50.833.2-176.4-51.6-61.8000114.3D605 K607 F610F22-D605 WeakPolarHBondContact CZ-O 3.32Å; F22-K607 HydrophobicContact CB-CD 4.32Å; F22-K607 HydrophobicContact CB-CG 4.1Å; F22-K607 HydrophobicContact CD1-CB 3.82Å; F22-K607 HydrophobicContact CD1-CD 4.23Å; F22-K607 HydrophobicContact CD1-CG 4.05Å; F22-K607 HydrophobicContact CD2-CB 4.11Å; F22-K607 HydrophobicContact CD2-CG 4.25Å; F22-K607 HydrophobicContact CE1-CB 3.88Å; F22-K607 HydrophobicContact CE2-CB 4.16Å; F22-K607 HydrophobicContact CG-CB 3.95Å; F22-K607 HydrophobicContact CG-CD 4.34Å; F22-K607 HydrophobicContact CG-CG 3.86Å; F22-K607 HydrophobicContact CZ-CB 4.05Å; F22-F610 HydrophobicContact CD2-CB 3.88Å; F22-F610 AromaticContact CD2-CD1 3.67Å; F22-F610 HydrophobicContact CD2-CD1 3.67Å; F22-F610 HydrophobicContact CD2-CE1 4.36Å; F22-F610 AromaticContact CD2-CG 3.75Å; F22-F610 HydrophobicContact CD2-CG 3.75Å; F22-F610 HydrophobicContact CE2-CB 3.81Å; F22-F610 HydrophobicContact CE2-CD1 4.42Å; F22-F610 HydrophobicContact CE2-CG 4.05Å
23G95.6Very high96.7Very high57 Ų5755 Ų5559%0.58829%0.288SS*.THydrogen-bonded Turntrans81.85.7-177.500000115.2K21K21-G23 PolarHBondContact O-N 2.92Å; K21-G23 VanDerWaalsContact O-N 3.12Å
24V95.9Very high96.8Very high63 Ų6353 Ų5338%0.38228%0.28SS..EExtended strand (participates in β ladder)trans-100.8126.6173.2-178.40000108.9K21 F610K21-V24 PolarHBondContact N-O 3.23Å; K21-V24 WeakPolarHBondContact O-CB 3.45Å; K21-V24 PolarHBondContact O-N 2.75Å; V24-F610 HydrophobicContact CB-CE1 4.03Å; V24-F610 HydrophobicContact CB-CZ 4.24Å; V24-F610 HydrophobicContact CG1-CZ 4.48Å; V24-F610 HydrophobicContact CG2-CE1 4.03Å
25Q96.8Very high96.8Very high97 Ų9755 Ų5545%0.45329%0.29SS..EExtended strand (participates in β ladder)trans-81.1122.7172.4-61.3-63.6-32.700109.5I18 E20I18-Q25 HydrophobicContact CG2-CB 4.13Å; E20-Q25 PolarHBondContact OE2-NE2 3.31Å
26I96.6Very high96.8Very high7 Ų751.3 Ų51.34%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-111.1105.4-179.5-48177.5000107.9I18 E19 K21 I586 F610I18-I26 WeakPolarHBondContact CA-O 3.22Å; E19-I26 HydrophobicContact CB-CB 4.46Å; E19-I26 PolarHBondContact N-O 3.3Å; E19-I26 WeakPolarHBondContact O-CB 3.45Å; E19-I26 PolarHBondContact O-N 3.14Å; K21-I26 HydrophobicContact CB-CD1 4.04Å; I26-I586 HydrophobicContact CD1-CG2 3.84Å; I26-F610 HydrophobicContact CD1-CE2 3.49Å; I26-F610 VanDerWaalsContact CD1-CE2 3.49Å; I26-F610 HydrophobicContact CD1-CZ 3.55Å; I26-F610 HydrophobicContact CG1-CZ 4.23Å
27H96.7Very high96.8Very high113 Ų11349.8 Ų49.852%0.52326%0.26SS..EExtended strand (participates in β ladder)trans-76123.7174-65.6-97.6000109.6P29H27-P29 VanDerWaalsContact C-CD 3.49Å
28D97.8Very high96.8Very high5 Ų549.5 Ų49.53%0.02726%0.259CS..  trans-130.664.8179.8-165.2-3.6000111.1T17 Y30 R31 K653T17-D28 WeakPolarHBondContact CB-O 3.39Å; T17-D28 HydrophobicContact CG2-CB 4.15Å; T17-D28 WeakPolarHBondContact CG2-O 3.33Å; T17-D28 PolarHBondContact O-N 3.22Å; D28-Y30 PolarHBondContact O-N 3.3Å; D28-R31 WeakPolarHBondContact O-CB 3.39Å; D28-R31 PolarHBondContact O-N 2.91Å; D28-R31 IonicContact OD2-CZ 3.33Å; D28-R31 IonicContact OD2-NE 2.69Å; D28-R31 PolarHBondContact OD2-NE 3.24Å; D28-R31 IonicContact OD2-NH2 3.88Å; D28-R31 PolarHBondContact OD2-NH2 3.28Å; D28-K653 WeakPolarHBondContact OD1-CE 3.5Å; D28-K653 IonicContact OD1-NZ 2.73Å; D28-K653 PolarHBondContact OD1-NZ 2.88Å; D28-K653 IonicContact OD2-NZ 2.73Å; D28-K653 PolarHBondContact OD2-NZ 2.98Å
29P98.1Very high96.9Very high19 Ų1952 Ų5212%0.12328%0.277CS..THydrogen-bonded Turntrans-65.7-10.2-170.827.9-36.5000114.3K13 D14 H27 W32K13-P29 HydrophobicContact CB-CB 4.12Å; D14-P29 PolarHBondContact N-O 2.92Å; D14-P29 WeakPolarHBondContact O-CA 3.25Å; H27-P29 VanDerWaalsContact C-CD 3.49Å; P29-W32 PolarHBondContact O-NE1 2.91Å
30Y98.5Very high97.1Very high3 Ų355.3 Ų55.31%0.01229%0.288CS..THydrogen-bonded Turntrans-111.516.3-179.9-53.7-61.6000112.7I11 K13 D28 W32 L33 A656 E660I11-Y30 HydrophobicContact CB-CE1 4.14Å; I11-Y30 HydrophobicContact CG2-CD1 3.8Å; I11-Y30 HydrophobicContact CG2-CE1 3.5Å; I11-Y30 VanDerWaalsContact CG2-CE1 3.5Å; K13-Y30 HydrophobicContact CG-CE1 3.76Å; K13-Y30 WeakPolarHBondContact CG-OH 3.44Å; D28-Y30 PolarHBondContact O-N 3.3Å; Y30-W32 PolarHBondContact O-N 3.2Å; Y30-W32 VanDerWaalsContact O-N 3.07Å; Y30-L33 WeakPolarHBondContact O-CB 3.4Å; Y30-L33 PolarHBondContact O-N 3.2Å; Y30-A656 HydrophobicContact CD1-CB 3.93Å; Y30-A656 HydrophobicContact CD2-CB 3.79Å; Y30-A656 HydrophobicContact CE1-CB 4.04Å; Y30-A656 HydrophobicContact CE2-CB 3.9Å; Y30-A656 HydrophobicContact CG-CB 3.8Å; Y30-E660 WeakPolarHBondContact OH-CB 3.13Å; Y30-E660 WeakPolarHBondContact OH-CG 3.49Å
31R98.3Very high97.2Very high52 Ų5249.3 Ų49.320%0.19626%0.26CS..G310 helixtrans-51.6-30.7175.8-179.563.264.885.20.9113.5T17 E19 D28 L33 E34 R587T17-R31 HydrophobicContact CG2-CB 3.68Å; T17-R31 HydrophobicContact CG2-CG 4.04Å; E19-R31 IonicContact OE2-CZ 3.09Å; E19-R31 IonicContact OE2-NH1 2.69Å; E19-R31 IonicContact OE2-NH2 3.33Å; E19-R31 PolarHBondContact OE2-NH2 2.79Å; D28-R31 WeakPolarHBondContact O-CB 3.39Å; D28-R31 PolarHBondContact O-N 2.91Å; D28-R31 IonicContact OD2-CZ 3.33Å; D28-R31 IonicContact OD2-NE 2.69Å; D28-R31 PolarHBondContact OD2-NE 3.24Å; D28-R31 IonicContact OD2-NH2 3.88Å; D28-R31 PolarHBondContact OD2-NH2 3.28Å; R31-L33 PolarHBondContact O-N 3.24Å; R31-L33 VanDerWaalsContact O-N 3.16Å; R31-E34 VanDerWaalsContact CD-OE1 3.24Å; R31-E34 WeakPolarHBondContact CD-OE1 3.15Å; R31-E34 WeakPolarHBondContact CD-OE2 3.4Å; R31-E34 IonicContact NE-OE1 3.12Å; R31-E34 PolarHBondContact NE-OE1 2.88Å; R31-E34 IonicContact NE-OE2 2.92Å; R31-E34 VanDerWaalsContact O-CB 3.28Å; R31-E34 WeakPolarHBondContact O-CB 3.2Å; R31-E34 VanDerWaalsContact O-CG 3.31Å; R31-E34 WeakPolarHBondContact O-CG 3.19Å; R31-E34 PolarHBondContact O-N 3.17Å; R31-R587 VanDerWaalsContact CZ-NE 3.31Å; R31-R587 VanDerWaalsContact NH1-CZ 3.3Å; R31-R587 VanDerWaalsContact NH1-NH1 3.19Å
32W98.1Very high97.3Very high38 Ų3853.7 Ų53.714%0.14428%0.279CS..G310 helixtrans-61.8-18.3176.562.7-97.1000113.9I11 Y12 P29 Y30 E34 D35 R40 T41 F44I11-W32 HydrophobicContact CG2-CZ2 3.92Å; Y12-W32 AromaticContact CD1-NE1 3.78Å; Y12-W32 PolarHBondContact O-NE1 2.81Å; P29-W32 PolarHBondContact O-NE1 2.91Å; Y30-W32 PolarHBondContact O-N 3.2Å; Y30-W32 VanDerWaalsContact O-N 3.07Å; W32-E34 PolarHBondContact O-N 3.5Å; W32-D35 PolarHBondContact O-N 3.16Å; W32-R40 HydrophobicContact CD2-CG 4.37Å; W32-R40 HydrophobicContact CE3-CB 4.06Å; W32-R40 VanDerWaalsContact CE3-CD 3.47Å; W32-R40 HydrophobicContact CE3-CG 3.74Å; W32-R40 HydrophobicContact CH2-CG 3.76Å; W32-R40 HydrophobicContact CZ2-CG 4.37Å; W32-R40 HydrophobicContact CZ3-CB 3.93Å; W32-R40 HydrophobicContact CZ3-CG 3.4Å; W32-R40 VanDerWaalsContact CZ3-CG 3.4Å; W32-T41 PolarHBondContact O-OG1 2.98Å; W32-F44 HydrophobicContact CH2-CB 4.03Å; W32-F44 HydrophobicContact CH2-CD2 4.34Å; W32-F44 HydrophobicContact CH2-CG 4.32Å; W32-F44 HydrophobicContact CZ3-CB 4.32Å
33L98.5Very high97.3Very high1 Ų152.2 Ų52.21%0.00528%0.283CS..G310 helixtrans-74.2-7.1172.5-71.2167.8000113.4Y30 R31 D35 T41 F44 F652 K653 A656Y30-L33 WeakPolarHBondContact O-CB 3.4Å; Y30-L33 PolarHBondContact O-N 3.2Å; R31-L33 PolarHBondContact O-N 3.24Å; R31-L33 VanDerWaalsContact O-N 3.16Å; L33-D35 VanDerWaalsContact C-N 3.26Å; L33-T41 HydrophobicContact CD2-CG2 4.09Å; L33-F44 HydrophobicContact CD1-CE1 4.26Å; L33-F44 HydrophobicContact CD1-CE2 4.34Å; L33-F44 HydrophobicContact CD1-CZ 4.11Å; L33-F44 HydrophobicContact CD2-CB 4.11Å; L33-F44 HydrophobicContact CD2-CD1 3.52Å; L33-F44 HydrophobicContact CD2-CD2 4.32Å; L33-F44 HydrophobicContact CD2-CE1 3.94Å; L33-F44 HydrophobicContact CD2-CG 3.73Å; L33-F44 HydrophobicContact CD2-CZ 4.47Å; L33-F652 HydrophobicContact CB-CB 4.11Å; L33-F652 HydrophobicContact CD1-CB 3.94Å; L33-F652 HydrophobicContact CD2-CB 4.25Å; L33-F652 HydrophobicContact CG-CB 4.33Å; L33-K653 HydrophobicContact CB-CG 4.24Å; L33-A656 HydrophobicContact CD1-CB 4.22Å
34E98.2Very high97.5Very high21 Ų2150.1 Ų50.110%0.09826%0.258CS..G310 helixtrans-76-14.8173.2-60.4-172.7-17800112.9R31 W32 P36 R587 F591 L649 K653R31-E34 VanDerWaalsContact CD-OE1 3.24Å; R31-E34 WeakPolarHBondContact CD-OE1 3.15Å; R31-E34 WeakPolarHBondContact CD-OE2 3.4Å; R31-E34 IonicContact NE-OE1 3.12Å; R31-E34 PolarHBondContact NE-OE1 2.88Å; R31-E34 IonicContact NE-OE2 2.92Å; R31-E34 VanDerWaalsContact O-CB 3.28Å; R31-E34 WeakPolarHBondContact O-CB 3.2Å; R31-E34 VanDerWaalsContact O-CG 3.31Å; R31-E34 WeakPolarHBondContact O-CG 3.19Å; R31-E34 PolarHBondContact O-N 3.17Å; W32-E34 PolarHBondContact O-N 3.5Å; E34-P36 VanDerWaalsContact O-CD 3.25Å; E34-P36 WeakPolarHBondContact O-CD 3.46Å; E34-R587 IonicContact OE1-CZ 3.2Å; E34-R587 IonicContact OE1-NE 3.28Å; E34-R587 PolarHBondContact OE1-NE 3.34Å; E34-R587 IonicContact OE1-NH2 2.68Å; E34-R587 IonicContact OE2-CZ 3.84Å; E34-R587 IonicContact OE2-NE 3.81Å; E34-R587 PolarHBondContact OE2-NE 2.81Å; E34-R587 IonicContact OE2-NH2 3.36Å; E34-R587 PolarHBondContact OE2-NH2 3Å; E34-F591 HydrophobicContact CG-CZ 4.33Å; E34-F591 WeakPolarHBondContact OE2-CZ 3.49Å; E34-L649 HydrophobicContact CB-CD2 4Å; E34-L649 HydrophobicContact CG-CB 4.29Å; E34-L649 HydrophobicContact CG-CD1 4.19Å; E34-L649 HydrophobicContact CG-CD2 3.99Å; E34-L649 HydrophobicContact CG-CG 4.38Å; E34-K653 HydrophobicContact CG-CD 4.06Å; E34-K653 IonicContact OE1-NZ 2.65Å; E34-K653 PolarHBondContact OE1-NZ 2.94Å
35D97.6Very high97.6Very high79 Ų7948.2 Ų48.242%0.42225%0.247SC..  trans-93.2102.6168.2177.22.4000109.4W32 L33 D37 S38 T41W32-D35 PolarHBondContact O-N 3.16Å; L33-D35 VanDerWaalsContact C-N 3.26Å; D35-D37 PolarHBondContact O-N 3.28Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 WeakPolarHBondContact OD1-CB 3.44Å; D35-D37 PolarHBondContact OD1-N 3.09Å; D35-S38 PolarHBondContact OD1-N 3.44Å; D35-S38 WeakPolarHBondContact OD2-CB 3.29Å; D35-T41 WeakPolarHBondContact O-CB 3.35Å; D35-T41 PolarHBondContact O-OG1 3.02Å
36P96Very high97.6Very high32 Ų3251.4 Ų51.421%0.20826%0.259CS..THydrogen-bonded Turntrans-70.3-19179.529-33.3000112.7E34 T202 T204E34-P36 VanDerWaalsContact O-CD 3.25Å; E34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-T202 WeakPolarHBondContact CG-O 3.47Å; P36-T204 HydrophobicContact CG-CG2 4.38Å
37D95.9Very high97.7Very high65 Ų6552.7 Ų52.735%0.34827%0.27SS..THydrogen-bonded Turntrans-89.5-18.5-174.8-91-46.2000113.9D35 K42 K198D35-D37 PolarHBondContact O-N 3.28Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 WeakPolarHBondContact OD1-CB 3.44Å; D35-D37 PolarHBondContact OD1-N 3.09Å; D37-K42 WeakPolarHBondContact O-CE 3.46Å; D37-K42 PolarHBondContact O-NZ 3.07Å; D37-K42 IonicContact OD1-NZ 3.89Å; D37-K42 PolarHBondContact OD1-NZ 2.93Å; D37-K42 VanDerWaalsContact OD1-NZ 3.1Å; D37-K198 IonicContact OD1-NZ 3.47Å; D37-K198 PolarHBondContact OD1-NZ 3.03Å; D37-K198 IonicContact OD2-NZ 2.75Å; D37-K198 PolarHBondContact OD2-NZ 3.08Å
38S97.2Very high97.8Very high27 Ų2747.3 Ų47.319%0.18925%0.245CC..SBendtrans-57.5142.4179.890.70000112.2D35 R40 T41 K42D35-S38 PolarHBondContact OD1-N 3.44Å; D35-S38 WeakPolarHBondContact OD2-CB 3.29Å; S38-R40 PolarHBondContact O-N 3.13Å; S38-R40 PolarHBondContact OG-N 3.46Å; S38-T41 PolarHBondContact O-N 3.28Å; S38-T41 WeakPolarHBondContact OG-CB 3.06Å; S38-T41 PolarHBondContact OG-N 2.6Å; S38-T41 PolarHBondContact OG-OG1 3.42Å; S38-K42 PolarHBondContact O-N 2.74Å; S38-K42 VanDerWaalsContact O-N 3.08Å
39V97.8Very high97.8Very high128 Ų12848 Ų4878%0.77625%0.25SC*.Hα-helixtrans-56.3-34.3175.1178.20000110.6A43V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.93Å
40R97.7Very high97.8Very high117 Ų11751.5 Ų51.544%0.44227%0.266SS..Hα-helixtrans-69.2-43.8179.8-165.8-175.5-77159.3-4.9111.8Y12 W32 S38 A43 F44Y12-R40 VanDerWaalsContact CD1-CZ 3.5Å; W32-R40 HydrophobicContact CD2-CG 4.37Å; W32-R40 HydrophobicContact CE3-CB 4.06Å; W32-R40 VanDerWaalsContact CE3-CD 3.47Å; W32-R40 HydrophobicContact CE3-CG 3.74Å; W32-R40 HydrophobicContact CH2-CG 3.76Å; W32-R40 HydrophobicContact CZ2-CG 4.37Å; W32-R40 HydrophobicContact CZ3-CB 3.93Å; W32-R40 HydrophobicContact CZ3-CG 3.4Å; W32-R40 VanDerWaalsContact CZ3-CG 3.4Å; S38-R40 PolarHBondContact O-N 3.13Å; S38-R40 PolarHBondContact OG-N 3.46Å; R40-A43 PolarHBondContact O-N 2.91Å; R40-F44 WeakPolarHBondContact O-CB 3.49Å; R40-F44 PolarHBondContact O-N 3.18Å
41T98.1Very high97.8Very high3 Ų352 Ų522%0.01827%0.269CS..Hα-helixtrans-63.8-44176.5-57.60000111W32 L33 D35 S38 A43 F44 V45 F652W32-T41 PolarHBondContact O-OG1 2.98Å; L33-T41 HydrophobicContact CD2-CG2 4.09Å; D35-T41 WeakPolarHBondContact O-CB 3.35Å; D35-T41 PolarHBondContact O-OG1 3.02Å; S38-T41 PolarHBondContact O-N 3.28Å; S38-T41 WeakPolarHBondContact OG-CB 3.06Å; S38-T41 PolarHBondContact OG-N 2.6Å; S38-T41 PolarHBondContact OG-OG1 3.42Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 2.77Å; T41-F44 WeakPolarHBondContact O-CB 3.34Å; T41-F44 PolarHBondContact O-N 3.46Å; T41-V45 WeakPolarHBondContact O-CG2 3.47Å; T41-V45 PolarHBondContact O-N 2.79Å; T41-F652 HydrophobicContact CG2-CD2 4.25Å; T41-F652 HydrophobicContact CG2-CE2 4.14Å
42K97.4Very high97.8Very high111 Ų11149.5 Ų49.548%0.48326%0.26SS..Hα-helixtrans-60.8-40.8175.6-71.4169177.7154.10112.3D37 S38 K46D37-K42 WeakPolarHBondContact O-CE 3.46Å; D37-K42 PolarHBondContact O-NZ 3.07Å; D37-K42 IonicContact OD1-NZ 3.89Å; D37-K42 PolarHBondContact OD1-NZ 2.93Å; D37-K42 VanDerWaalsContact OD1-NZ 3.1Å; S38-K42 PolarHBondContact O-N 2.74Å; S38-K42 VanDerWaalsContact O-N 3.08Å; K42-K46 PolarHBondContact O-N 3.17Å; K42-K46 VanDerWaalsContact O-N 3.11Å
43A97.8Very high97.7Very high58 Ų5852.8 Ų52.848%0.47928%0.277SS..Hα-helixtrans-66-41.3174.700000112.4V39 R40 T41 K46 A47V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.93Å; R40-A43 PolarHBondContact O-N 2.91Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 2.77Å; A43-K46 PolarHBondContact O-N 3.05Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 2.87Å
44F98.3Very high97.7Very high14 Ų1458.1 Ų58.16%0.06130%0.302CS..Hα-helixtrans-59.5-50.6174.4169.1-92.8000111.6I11 W32 L33 R40 T41 K46 A47 Q48 F652 I655 A656I11-F44 HydrophobicContact CD1-CE2 3.88Å; I11-F44 HydrophobicContact CG1-CD2 4.38Å; I11-F44 HydrophobicContact CG1-CE2 4.14Å; I11-F44 HydrophobicContact CG2-CD2 4.22Å; I11-F44 HydrophobicContact CG2-CE2 4.18Å; W32-F44 HydrophobicContact CH2-CB 4.03Å; W32-F44 HydrophobicContact CH2-CD2 4.34Å; W32-F44 HydrophobicContact CH2-CG 4.32Å; W32-F44 HydrophobicContact CZ3-CB 4.32Å; L33-F44 HydrophobicContact CD1-CE1 4.26Å; L33-F44 HydrophobicContact CD1-CE2 4.34Å; L33-F44 HydrophobicContact CD1-CZ 4.11Å; L33-F44 HydrophobicContact CD2-CB 4.11Å; L33-F44 HydrophobicContact CD2-CD1 3.52Å; L33-F44 HydrophobicContact CD2-CD2 4.32Å; L33-F44 HydrophobicContact CD2-CE1 3.94Å; L33-F44 HydrophobicContact CD2-CG 3.73Å; L33-F44 HydrophobicContact CD2-CZ 4.47Å; R40-F44 WeakPolarHBondContact O-CB 3.49Å; R40-F44 PolarHBondContact O-N 3.18Å; T41-F44 WeakPolarHBondContact O-CB 3.34Å; T41-F44 PolarHBondContact O-N 3.46Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.39Å; F44-A47 PolarHBondContact O-N 2.74Å; F44-A47 VanDerWaalsContact O-N 3.17Å; F44-Q48 HydrophobicContact CD1-CG 4.26Å; F44-Q48 HydrophobicContact CD2-CG 4.18Å; F44-Q48 HydrophobicContact CE1-CG 3.92Å; F44-Q48 HydrophobicContact CE2-CG 3.83Å; F44-Q48 HydrophobicContact CG-CG 4.39Å; F44-Q48 HydrophobicContact CZ-CG 3.72Å; F44-Q48 WeakPolarHBondContact O-CG 3.37Å; F44-Q48 PolarHBondContact O-N 2.97Å; F44-F652 HydrophobicContact CE1-CB 3.79Å; F44-F652 HydrophobicContact CE1-CD1 4.15Å; F44-F652 HydrophobicContact CE1-CG 4Å; F44-F652 HydrophobicContact CZ-CB 4.4Å; F44-I655 HydrophobicContact CE1-CG2 4.41Å; F44-I655 HydrophobicContact CZ-CG2 3.72Å; F44-A656 HydrophobicContact CE2-CB 4.3Å; F44-A656 HydrophobicContact CZ-CB 4.43Å
45V98.1Very high97.6Very high22 Ų2257.9 Ų57.913%0.13330%0.3CS..Hα-helixtrans-56.7-46.8178.2169.30000110.9T41 A47 Q48 N49 F652 I676T41-V45 WeakPolarHBondContact O-CG2 3.47Å; T41-V45 PolarHBondContact O-N 2.79Å; V45-A47 PolarHBondContact O-N 3.41Å; V45-Q48 PolarHBondContact O-N 3.41Å; V45-N49 PolarHBondContact O-N 3.33Å; V45-F652 HydrophobicContact CG2-CE1 4.18Å; V45-F652 HydrophobicContact CG2-CE2 3.99Å; V45-F652 HydrophobicContact CG2-CZ 3.68Å; V45-I676 HydrophobicContact CG1-CB 3.9Å; V45-I676 HydrophobicContact CG1-CD1 4.36Å; V45-I676 HydrophobicContact CG1-CG1 4.15Å; V45-I676 HydrophobicContact CG1-CG2 3.87Å
46K97.8Very high97.6Very high165 Ų16554.6 Ų54.672%0.71728%0.283SS*.Hα-helixtrans-60.3-44.2177.4-174.7179.3180179.90112.3K42 A43 F44 L50K42-K46 PolarHBondContact O-N 3.17Å; K42-K46 VanDerWaalsContact O-N 3.11Å; A43-K46 PolarHBondContact O-N 3.05Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.39Å; K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 2.93Å; K46-L50 VanDerWaalsContact O-N 3.12Å
47A98Very high97.6Very high33 Ų3359 Ų5927%0.27331%0.305SS..Hα-helixtrans-66.4-40.6-179.800000112.2P9 A43 F44 V45 L50 I51P9-A47 HydrophobicContact CB-CB 4.1Å; P9-A47 HydrophobicContact CG-CB 4.33Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 2.74Å; F44-A47 VanDerWaalsContact O-N 3.17Å; V45-A47 PolarHBondContact O-N 3.41Å; A47-L50 PolarHBondContact O-N 3.32Å; A47-I51 PolarHBondContact O-N 3.28Å
48Q98.5Very high97.7Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-66.5-46.5177.2-70.3-63.8-26.400112.2F44 V45 L50 I51 T52 I674 I676F44-Q48 HydrophobicContact CD1-CG 4.26Å; F44-Q48 HydrophobicContact CD2-CG 4.18Å; F44-Q48 HydrophobicContact CE1-CG 3.92Å; F44-Q48 HydrophobicContact CE2-CG 3.83Å; F44-Q48 HydrophobicContact CG-CG 4.39Å; F44-Q48 HydrophobicContact CZ-CG 3.72Å; F44-Q48 WeakPolarHBondContact O-CG 3.37Å; F44-Q48 PolarHBondContact O-N 2.97Å; V45-Q48 PolarHBondContact O-N 3.41Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 3.31Å; Q48-I51 WeakPolarHBondContact O-CG1 3.32Å; Q48-I51 PolarHBondContact O-N 3.08Å; Q48-T52 PolarHBondContact O-N 3.13Å; Q48-T52 VanDerWaalsContact O-N 3.15Å; Q48-T52 PolarHBondContact O-OG1 2.91Å; Q48-I674 HydrophobicContact CB-CG2 3.56Å; Q48-I674 HydrophobicContact CG-CG2 3.91Å; Q48-I676 HydrophobicContact CB-CD1 4Å
49N98.3Very high97.7Very high21 Ų2159.1 Ų59.111%0.11230%0.3CS..Hα-helixtrans-58.9-41.5175.9-82.5-9.5000111.5V45 I51 T52 E53 I676V45-N49 PolarHBondContact O-N 3.33Å; N49-I51 PolarHBondContact O-N 3.12Å; N49-T52 PolarHBondContact O-N 2.65Å; N49-E53 WeakPolarHBondContact O-CB 3.49Å; N49-E53 VanDerWaalsContact O-CG 3.3Å; N49-E53 WeakPolarHBondContact O-CG 3.18Å; N49-E53 PolarHBondContact O-N 3.19Å; N49-I676 PolarHBondContact ND2-O 2.91Å; N49-I676 WeakPolarHBondContact OD1-CD1 3.24Å; N49-I676 PolarHBondContact OD1-N 2.74Å
50L97.8Very high97.7Very high91 Ų9157.7 Ų57.748%0.47629%0.293SS..Hα-helixtrans-58.3-47.2179.3179.763.7000112.8K46 A47 Q48 T52 Q54K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 2.93Å; K46-L50 VanDerWaalsContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 3.32Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 3.31Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.44Å; L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 VanDerWaalsContact O-CG 3.24Å; L50-Q54 WeakPolarHBondContact O-CG 3.48Å; L50-Q54 PolarHBondContact O-N 3.08Å
51I97.6Very high97.6Very high13 Ų1355.3 Ų55.37%0.06728%0.284CS..Hα-helixtrans-69.3-33.1-179.561.7160.1000111.7Y8 A47 Q48 N49 F55 L673Y8-I51 HydrophobicContact CD1-CD1 3.68Å; Y8-I51 HydrophobicContact CE1-CD1 4.12Å; A47-I51 PolarHBondContact O-N 3.28Å; Q48-I51 WeakPolarHBondContact O-CG1 3.32Å; Q48-I51 PolarHBondContact O-N 3.08Å; N49-I51 PolarHBondContact O-N 3.12Å; I51-F55 PolarHBondContact O-N 3.29Å; I51-F55 VanDerWaalsContact O-N 3.11Å; I51-L673 HydrophobicContact CD1-CD2 4Å; I51-L673 HydrophobicContact CG1-CD2 4.24Å
52T98.3Very high97.6Very high1 Ų156.5 Ų56.51%0.00629%0.292CS..Hα-helixtrans-68.5-49.7176.3-62.50000110.5Q48 N49 L50 Q54 F55 L56 L636 L673 I674 R675Q48-T52 PolarHBondContact O-N 3.13Å; Q48-T52 VanDerWaalsContact O-N 3.15Å; Q48-T52 PolarHBondContact O-OG1 2.91Å; N49-T52 PolarHBondContact O-N 2.65Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.44Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-Q54 PolarHBondContact O-N 3.14Å; T52-F55 WeakPolarHBondContact O-CA 3.39Å; T52-F55 WeakPolarHBondContact O-CB 3.25Å; T52-F55 PolarHBondContact O-N 3.07Å; T52-L56 HydrophobicContact CG2-CD1 3.93Å; T52-L56 HydrophobicContact CG2-CG 4.22Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.34Å; T52-L56 PolarHBondContact O-N 3.06Å; T52-L636 HydrophobicContact CG2-CD1 4.11Å; T52-L673 HydrophobicContact CG2-CB 4.34Å; T52-I674 VanDerWaalsContact CB-O 3.32Å; T52-I674 WeakPolarHBondContact CB-O 3.35Å; T52-I674 PolarHBondContact OG1-N 3.11Å; T52-I674 PolarHBondContact OG1-O 3.48Å; T52-R675 HydrophobicContact CG2-CB 4.33Å
53E97.3Very high97.5Very high106 Ų10654.9 Ų54.950%0.49529%0.294SS..Hα-helixtrans-55.7-44.7175.1-74.2170.9-16500111.6N49 F55 L56 N57N49-E53 WeakPolarHBondContact O-CB 3.49Å; N49-E53 VanDerWaalsContact O-CG 3.3Å; N49-E53 WeakPolarHBondContact O-CG 3.18Å; N49-E53 PolarHBondContact O-N 3.19Å; E53-F55 VanDerWaalsContact C-N 3.28Å; E53-F55 PolarHBondContact O-N 2.86Å; E53-L56 PolarHBondContact O-N 3.16Å; E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 PolarHBondContact O-N 2.88Å; E53-N57 PolarHBondContact O-ND2 3.4Å; E53-N57 VanDerWaalsContact O-ND2 3.13Å
54Q97.3Very high97.5Very high113 Ų11356.3 Ų56.353%0.52829%0.29SS..Hα-helixtrans-59.3-38.2175.3-75.6174.64.200112.7L50 T52L50-Q54 WeakPolarHBondContact O-CB 3.34Å; L50-Q54 VanDerWaalsContact O-CG 3.24Å; L50-Q54 WeakPolarHBondContact O-CG 3.48Å; L50-Q54 PolarHBondContact O-N 3.08Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-Q54 PolarHBondContact O-N 3.14Å
55F97.9Very high97.5Very high17 Ų1755.7 Ų55.78%0.07529%0.287CS..Hα-helixtrans-70.8-46175.7-174.8-90.5000112I6 I51 T52 E53 N57 K58 P671 L673 F701 T704I6-F55 HydrophobicContact CD1-CD2 3.74Å; I6-F55 HydrophobicContact CD1-CE2 4.22Å; I6-F55 HydrophobicContact CG1-CD2 4.42Å; I51-F55 PolarHBondContact O-N 3.29Å; I51-F55 VanDerWaalsContact O-N 3.11Å; T52-F55 WeakPolarHBondContact O-CA 3.39Å; T52-F55 WeakPolarHBondContact O-CB 3.25Å; T52-F55 PolarHBondContact O-N 3.07Å; E53-F55 VanDerWaalsContact C-N 3.28Å; E53-F55 PolarHBondContact O-N 2.86Å; F55-N57 VanDerWaalsContact C-N 3.26Å; F55-N57 PolarHBondContact O-N 3.26Å; F55-K58 HydrophobicContact CD2-CD 4.37Å; F55-K58 VanDerWaalsContact O-CB 3.24Å; F55-K58 WeakPolarHBondContact O-CB 2.91Å; F55-K58 WeakPolarHBondContact O-CG 3.29Å; F55-K58 PolarHBondContact O-N 2.86Å; F55-P671 HydrophobicContact CD2-CB 4.2Å; F55-P671 HydrophobicContact CE1-CG 4.17Å; F55-P671 HydrophobicContact CE2-CB 3.82Å; F55-P671 HydrophobicContact CE2-CG 3.78Å; F55-P671 HydrophobicContact CZ-CB 4.05Å; F55-P671 HydrophobicContact CZ-CG 3.55Å; F55-L673 HydrophobicContact CB-CD1 3.51Å; F55-L673 HydrophobicContact CD1-CD1 3.5Å; F55-L673 HydrophobicContact CD2-CD1 4.14Å; F55-L673 HydrophobicContact CE1-CD1 4.27Å; F55-L673 HydrophobicContact CG-CD1 3.43Å; F55-L673 VanDerWaalsContact CG-CD1 3.43Å; F55-F701 HydrophobicContact CD1-CD2 4.01Å; F55-F701 AromaticContact CE1-CD2 3.67Å; F55-F701 HydrophobicContact CE1-CD2 3.67Å; F55-F701 HydrophobicContact CE1-CE2 4.11Å; F55-T704 HydrophobicContact CE1-CG2 3.77Å; F55-T704 HydrophobicContact CE2-CG2 4Å; F55-T704 HydrophobicContact CZ-CG2 3.43Å; F55-T704 VanDerWaalsContact CZ-CG2 3.43Å
56L97.4Very high97.5Very high9 Ų958.6 Ų58.65%0.04730%0.295CS..Hα-helixtrans-60.6-36.5179.2-66.1176.4000112T52 E53 K58 C59 D697 F701T52-L56 HydrophobicContact CG2-CD1 3.93Å; T52-L56 HydrophobicContact CG2-CG 4.22Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.34Å; T52-L56 PolarHBondContact O-N 3.06Å; E53-L56 PolarHBondContact O-N 3.16Å; L56-K58 PolarHBondContact O-N 2.86Å; L56-K58 VanDerWaalsContact O-N 3.13Å; L56-C59 WeakPolarHBondContact O-CB 3.46Å; L56-C59 PolarHBondContact O-N 2.79Å; L56-C59 VanDerWaalsContact O-N 3.07Å; L56-D697 HydrophobicContact CD1-CB 3.8Å; L56-D697 HydrophobicContact CD2-CB 4.46Å; L56-D697 VanDerWaalsContact CD2-O 3.24Å; L56-D697 WeakPolarHBondContact CD2-O 3.41Å; L56-F701 HydrophobicContact CD2-CB 3.7Å
57N96.4Very high97.4Very high126 Ų12655.4 Ų55.467%0.67429%0.286SS*.THydrogen-bonded Turntrans-65-11.2175.7-73.4-26.5000114E53 F55 C59E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 PolarHBondContact O-N 2.88Å; E53-N57 PolarHBondContact O-ND2 3.4Å; E53-N57 VanDerWaalsContact O-ND2 3.13Å; F55-N57 VanDerWaalsContact C-N 3.26Å; F55-N57 PolarHBondContact O-N 3.26Å; N57-C59 VanDerWaalsContact C-N 3.29Å
58K96.6Very high97.4Very high86 Ų8657.5 Ų57.537%0.37429%0.289SS..THydrogen-bonded Turntrans-75.6-17.3172.4-59.6-180-176.3-1790112.8T4 F55 L56 P60 T704T4-K58 PolarHBondContact OG1-NZ 3.17Å; F55-K58 HydrophobicContact CD2-CD 4.37Å; F55-K58 VanDerWaalsContact O-CB 3.24Å; F55-K58 WeakPolarHBondContact O-CB 2.91Å; F55-K58 WeakPolarHBondContact O-CG 3.29Å; F55-K58 PolarHBondContact O-N 2.86Å; L56-K58 PolarHBondContact O-N 2.86Å; L56-K58 VanDerWaalsContact O-N 3.13Å; K58-P60 WeakPolarHBondContact O-CD 3.22Å; K58-T704 HydrophobicContact CB-CG2 4.08Å
59C97.5Very high97.3Very high8 Ų857.5 Ų57.55%0.05429%0.289CS..  trans-69.8118.1178.1-178.40000110.3L56 N57 Y61 T62 Q703L56-C59 WeakPolarHBondContact O-CB 3.46Å; L56-C59 PolarHBondContact O-N 2.79Å; L56-C59 VanDerWaalsContact O-N 3.07Å; N57-C59 VanDerWaalsContact C-N 3.29Å; C59-Y61 PolarHBondContact O-N 3.25Å; C59-T62 WeakPolarHBondContact CB-OG1 3.44Å; C59-T62 PolarHBondContact O-OG1 3.25Å; C59-Q703 PolarHBondContact SG-OE1 2.83Å
60P97Very high97.2Very high97 Ų9758.3 Ų58.363%0.6330%0.295SS*.THydrogen-bonded Turntrans-73.5-9.1-178.730.7-34.6000113K58K58-P60 WeakPolarHBondContact O-CD 3.22Å
61Y96.8Very high97.1Very high68 Ų6856.8 Ų56.827%0.26730%0.295SS..THydrogen-bonded Turntrans-107.34.5-174.8-55-68000113.6C59 S63 K64 I65 Q703 W710C59-Y61 PolarHBondContact O-N 3.25Å; Y61-S63 VanDerWaalsContact C-N 3.3Å; Y61-S63 PolarHBondContact O-N 3.37Å; Y61-S63 VanDerWaalsContact O-N 3.13Å; Y61-K64 HydrophobicContact CD1-CD 4.35Å; Y61-K64 CarbonylContact O-C 3.58Å; Y61-K64 WeakPolarHBondContact O-CA 3.44Å; Y61-K64 PolarHBondContact O-N 2.95Å; Y61-I65 VanDerWaalsContact O-CG1 3.32Å; Y61-I65 WeakPolarHBondContact O-CG1 3.28Å; Y61-I65 PolarHBondContact O-N 2.95Å; Y61-Q703 HydrophobicContact CD2-CG 3.92Å; Y61-Q703 HydrophobicContact CE2-CG 4.44Å; Y61-W710 HydrophobicContact CD1-CB 4.06Å; Y61-W710 HydrophobicContact CD1-CD2 4.16Å; Y61-W710 HydrophobicContact CD1-CE3 4.42Å; Y61-W710 AromaticContact CD1-CG 4Å; Y61-W710 HydrophobicContact CD1-CG 4Å; Y61-W710 HydrophobicContact CD2-CB 4.21Å; Y61-W710 HydrophobicContact CE1-CB 3.72Å; Y61-W710 AromaticContact CE1-CG 3.97Å; Y61-W710 HydrophobicContact CE1-CG 3.97Å; Y61-W710 HydrophobicContact CE2-CB 3.87Å; Y61-W710 HydrophobicContact CG-CB 4.29Å; Y61-W710 HydrophobicContact CG-CD2 4.33Å; Y61-W710 HydrophobicContact CG-CE3 4.14Å; Y61-W710 HydrophobicContact CG-CG 4.41Å
62T96.7Very high97Very high28 Ų2856.4 Ų56.417%0.17229%0.293CS..Hα-helixtrans-50.7-43.1-173.5-62.70000114C59 R66 V696 S700C59-T62 WeakPolarHBondContact CB-OG1 3.44Å; C59-T62 PolarHBondContact O-OG1 3.25Å; T62-R66 PolarHBondContact O-N 3.31Å; T62-R66 VanDerWaalsContact O-N 3.12Å; T62-V696 HydrophobicContact CG2-CG1 4.05Å; T62-S700 PolarHBondContact OG1-OG 3.02Å
63S96.8Very high97Very high76 Ų7658.3 Ų58.353%0.53130%0.3SS..Hα-helixtrans-65.2-48.1175.4-163.40000111.8Y61 I65 R66 D67Y61-S63 VanDerWaalsContact C-N 3.3Å; Y61-S63 PolarHBondContact O-N 3.37Å; Y61-S63 VanDerWaalsContact O-N 3.13Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.45Å; S63-R66 WeakPolarHBondContact O-CB 3.41Å; S63-R66 PolarHBondContact O-N 2.84Å; S63-R66 VanDerWaalsContact O-N 3.16Å; S63-D67 PolarHBondContact O-N 2.89Å
64K96.7Very high97Very high89 Ų8955.5 Ų55.539%0.38729%0.289SS..Hα-helixtrans-62-40.4179-69.6-168.8176.4-173.30112.4Y61 R66 D67 K68 W710 E712Y61-K64 HydrophobicContact CD1-CD 4.35Å; Y61-K64 CarbonylContact O-C 3.58Å; Y61-K64 WeakPolarHBondContact O-CA 3.44Å; Y61-K64 PolarHBondContact O-N 2.95Å; K64-R66 VanDerWaalsContact C-N 3.34Å; K64-D67 PolarHBondContact O-N 2.76Å; K64-K68 WeakPolarHBondContact O-CB 3.39Å; K64-K68 WeakPolarHBondContact O-CG 3.23Å; K64-K68 PolarHBondContact O-N 2.65Å; K64-W710 HydrophobicContact CB-CH2 3.89Å; K64-W710 HydrophobicContact CB-CZ2 3.83Å; K64-W710 HydrophobicContact CD-CZ2 4.23Å; K64-E712 IonicContact NZ-OE1 3.57Å; K64-E712 PolarHBondContact NZ-OE1 3.1Å
65I97.9Very high97Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-56.4-51.8174.5-67.8166.6000108.7Y61 S63 L69 F492 F497 V696 W710Y61-I65 VanDerWaalsContact O-CG1 3.32Å; Y61-I65 WeakPolarHBondContact O-CG1 3.28Å; Y61-I65 PolarHBondContact O-N 2.95Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.45Å; I65-L69 WeakPolarHBondContact O-CB 3.28Å; I65-L69 PolarHBondContact O-N 2.96Å; I65-F492 HydrophobicContact CB-CZ 3.98Å; I65-F492 HydrophobicContact CG1-CZ 3.91Å; I65-F492 HydrophobicContact CG2-CE1 4.08Å; I65-F492 HydrophobicContact CG2-CE2 4.38Å; I65-F492 HydrophobicContact CG2-CZ 3.69Å; I65-F497 HydrophobicContact CD1-CZ 4.36Å; I65-V696 HydrophobicContact CG2-CB 4.33Å; I65-V696 HydrophobicContact CG2-CG1 4.24Å; I65-V696 HydrophobicContact CG2-CG2 4.15Å; I65-W710 HydrophobicContact CG1-CH2 4.45Å; I65-W710 HydrophobicContact CG1-CZ3 3.73Å
66R98Very high96.9Very high84 Ų8454.4 Ų54.432%0.31728%0.283SS..Hα-helixtrans-59-49.5178.4-177.1177.2-66.598.41.6112.3T62 S63 K64 L69 T70 V696T62-R66 PolarHBondContact O-N 3.31Å; T62-R66 VanDerWaalsContact O-N 3.12Å; S63-R66 WeakPolarHBondContact O-CB 3.41Å; S63-R66 PolarHBondContact O-N 2.84Å; S63-R66 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.34Å; R66-L69 PolarHBondContact O-N 3.41Å; R66-T70 VanDerWaalsContact O-CB 3.25Å; R66-T70 WeakPolarHBondContact O-CB 3.4Å; R66-T70 PolarHBondContact O-N 3Å; R66-T70 PolarHBondContact O-OG1 3.26Å; R66-V696 HydrophobicContact CB-CG2 3.82Å; R66-V696 HydrophobicContact CG-CG2 4.23Å
67D97.2Very high96.9Very high98 Ų9856 Ų5652%0.52429%0.289SS..Hα-helixtrans-63-49.9-175.4-61.6-24.7000111.3S63 K64 T70 A71S63-D67 PolarHBondContact O-N 2.89Å; K64-D67 PolarHBondContact O-N 2.76Å; D67-T70 PolarHBondContact O-N 3.47Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 2.93Å
68K96.5Very high96.9Very high77 Ų7751.8 Ų51.834%0.33526%0.264SS..Hα-helixtrans-66.5-42.6179.2-69.2-69.1-171.2164.10112.1K64 T70 A71 I72 F492 W710K64-K68 WeakPolarHBondContact O-CB 3.39Å; K64-K68 WeakPolarHBondContact O-CG 3.23Å; K64-K68 PolarHBondContact O-N 2.65Å; K68-T70 VanDerWaalsContact C-N 3.34Å; K68-T70 PolarHBondContact O-N 3.07Å; K68-A71 PolarHBondContact O-N 3.49Å; K68-I72 VanDerWaalsContact O-CG1 3.31Å; K68-I72 WeakPolarHBondContact O-CG1 3.42Å; K68-I72 PolarHBondContact O-N 3.46Å; K68-F492 HydrophobicContact CB-CD2 4.31Å; K68-F492 HydrophobicContact CB-CE2 3.87Å; K68-W710 HydrophobicContact CB-CH2 4.49Å; K68-W710 HydrophobicContact CG-CH2 4.13Å; K68-W710 HydrophobicContact CG-CZ2 4.07Å
69L96.3Very high96.9Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-62.2-43.9177.3-175.774.6000111.2I65 R66 A71 I72 W73 V488 F492 I692 V695 V696I65-L69 WeakPolarHBondContact O-CB 3.28Å; I65-L69 PolarHBondContact O-N 2.96Å; R66-L69 PolarHBondContact O-N 3.41Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.91Å; L69-I72 PolarHBondContact O-N 3.27Å; L69-W73 HydrophobicContact CD1-CE3 4.34Å; L69-W73 HydrophobicContact CD1-CZ3 4.47Å; L69-W73 HydrophobicContact CD2-CE3 4.47Å; L69-W73 HydrophobicContact CD2-CZ3 4.41Å; L69-W73 HydrophobicContact CG-CE3 4.14Å; L69-W73 HydrophobicContact CG-CZ3 4.45Å; L69-W73 WeakPolarHBondContact O-CB 2.96Å; L69-W73 PolarHBondContact O-N 2.98Å; L69-V488 HydrophobicContact CD1-CG1 3.71Å; L69-V488 HydrophobicContact CG-CG1 4.38Å; L69-F492 HydrophobicContact CB-CD2 4.01Å; L69-F492 HydrophobicContact CB-CE2 4.29Å; L69-F492 HydrophobicContact CD1-CB 3.78Å; L69-F492 HydrophobicContact CD1-CD2 4.11Å; L69-F492 HydrophobicContact CD1-CG 3.9Å; L69-I692 HydrophobicContact CD2-CG2 4.18Å; L69-V695 HydrophobicContact CD1-CG1 3.8Å; L69-V695 HydrophobicContact CD2-CB 3.7Å; L69-V695 HydrophobicContact CD2-CG1 3.54Å; L69-V695 HydrophobicContact CG-CG1 4.34Å; L69-V696 HydrophobicContact CD2-CG2 3.97Å
70T97.2Very high96.9Very high38 Ų3849 Ų4923%0.23326%0.256CS..Hα-helixtrans-63-41.5178-56.40000110.8R66 D67 K68 I72 W73 D74 L96 I692R66-T70 VanDerWaalsContact O-CB 3.25Å; R66-T70 WeakPolarHBondContact O-CB 3.4Å; R66-T70 PolarHBondContact O-N 3Å; R66-T70 PolarHBondContact O-OG1 3.26Å; D67-T70 PolarHBondContact O-N 3.47Å; K68-T70 VanDerWaalsContact C-N 3.34Å; K68-T70 PolarHBondContact O-N 3.07Å; T70-I72 PolarHBondContact O-N 3.33Å; T70-W73 WeakPolarHBondContact O-CB 3.42Å; T70-W73 PolarHBondContact O-N 2.84Å; T70-W73 VanDerWaalsContact O-N 3.13Å; T70-D74 PolarHBondContact O-N 2.75Å; T70-L96 HydrophobicContact CG2-CD1 3.63Å; T70-L96 HydrophobicContact CG2-CD2 3.92Å; T70-L96 HydrophobicContact CG2-CG 4.45Å; T70-I692 HydrophobicContact CG2-CD1 4.34Å
71A96.2Very high96.9Very high58 Ų5844.4 Ų44.448%0.47923%0.226SC..Hα-helixtrans-61.9-41.3175.300000112.8D67 K68 L69 W73 D74D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 2.93Å; K68-A71 PolarHBondContact O-N 3.49Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.91Å; A71-W73 VanDerWaalsContact C-N 3.28Å; A71-W73 PolarHBondContact O-N 2.68Å; A71-D74 PolarHBondContact O-N 3.37Å
72I96.1Very high96.8Very high5 Ų542.8 Ų42.83%0.02622%0.222CC..Hα-helixtrans-68-30.5174.9-61.3165.5000111.2K68 L69 T70 Y75 I429 V488 L491 F492 M495K68-I72 VanDerWaalsContact O-CG1 3.31Å; K68-I72 WeakPolarHBondContact O-CG1 3.42Å; K68-I72 PolarHBondContact O-N 3.46Å; L69-I72 PolarHBondContact O-N 3.27Å; T70-I72 PolarHBondContact O-N 3.33Å; I72-Y75 WeakPolarHBondContact O-CD1 3.37Å; I72-I429 HydrophobicContact CG2-CD1 4.36Å; I72-I429 HydrophobicContact CG2-CG2 4.15Å; I72-V488 HydrophobicContact CB-CG1 4Å; I72-V488 HydrophobicContact CG2-CB 4.43Å; I72-V488 HydrophobicContact CG2-CG1 3.72Å; I72-L491 HydrophobicContact CG2-CD2 3.65Å; I72-L491 HydrophobicContact CG2-CG 4.27Å; I72-F492 HydrophobicContact CD1-CB 4.01Å; I72-F492 HydrophobicContact CD1-CD2 4.12Å; I72-M495 HydrophobicContact CD1-CE 4.33Å; I72-M495 HydrophobicContact CD1-SD 3.93Å
73W96.8Very high96.8Very high41 Ų4143.9 Ų43.916%0.15522%0.224CC..Hα-helixtrans-75.9-24.7178.7-142.7-66.9000113L69 T70 A71 Y75 K77 L96 V488 I692 V695L69-W73 HydrophobicContact CD1-CE3 4.34Å; L69-W73 HydrophobicContact CD1-CZ3 4.47Å; L69-W73 HydrophobicContact CD2-CE3 4.47Å; L69-W73 HydrophobicContact CD2-CZ3 4.41Å; L69-W73 HydrophobicContact CG-CE3 4.14Å; L69-W73 HydrophobicContact CG-CZ3 4.45Å; L69-W73 WeakPolarHBondContact O-CB 2.96Å; L69-W73 PolarHBondContact O-N 2.98Å; T70-W73 WeakPolarHBondContact O-CB 3.42Å; T70-W73 PolarHBondContact O-N 2.84Å; T70-W73 VanDerWaalsContact O-N 3.13Å; A71-W73 VanDerWaalsContact C-N 3.28Å; A71-W73 PolarHBondContact O-N 2.68Å; W73-Y75 VanDerWaalsContact C-N 3.3Å; W73-Y75 WeakPolarHBondContact O-CD1 3.31Å; W73-Y75 PolarHBondContact O-N 2.98Å; W73-K77 PolarHBondContact O-NZ 3.07Å; W73-L96 HydrophobicContact CB-CD2 3.93Å; W73-L96 HydrophobicContact CG-CD2 4.46Å; W73-V488 HydrophobicContact CB-CG1 4.12Å; W73-V488 HydrophobicContact CB-CG2 4.48Å; W73-V488 HydrophobicContact CD2-CB 4.01Å; W73-V488 HydrophobicContact CD2-CG1 3.84Å; W73-V488 HydrophobicContact CD2-CG2 3.98Å; W73-V488 HydrophobicContact CE3-CB 3.68Å; W73-V488 HydrophobicContact CE3-CG1 3.31Å; W73-V488 HydrophobicContact CE3-CG2 4.19Å; W73-V488 HydrophobicContact CG-CG1 4.22Å; W73-V488 HydrophobicContact CG-CG2 4.13Å; W73-V488 HydrophobicContact CZ3-CB 4.05Å; W73-V488 HydrophobicContact CZ3-CG1 3.99Å; W73-I692 HydrophobicContact CB-CD1 4.44Å; W73-I692 HydrophobicContact CD2-CD1 4.45Å; W73-I692 HydrophobicContact CD2-CG1 3.92Å; W73-I692 HydrophobicContact CE3-CG1 3.77Å; W73-I692 HydrophobicContact CG-CD1 4.35Å; W73-I692 HydrophobicContact CG-CG1 4.34Å; W73-I692 HydrophobicContact CZ3-CG1 4.19Å; W73-V695 HydrophobicContact CH2-CG2 4.37Å; W73-V695 HydrophobicContact CZ3-CG2 4.2Å
74D97.5Very high96.7Very high47 Ų4742.6 Ų42.625%0.25121%0.208SC..  trans-78.670.1-176.7-170.334.1000113T70 A71 L96 R430T70-D74 PolarHBondContact O-N 2.75Å; A71-D74 PolarHBondContact O-N 3.37Å; D74-L96 HydrophobicContact CB-CD1 4.02Å; D74-L96 HydrophobicContact CB-CD2 4.17Å; D74-L96 HydrophobicContact CB-CG 3.93Å; D74-R430 IonicContact OD2-NH1 3.1Å; D74-R430 PolarHBondContact OD2-NH1 3.15Å
75Y97.1Very high96.5Very high21 Ų2140 Ų408%0.08221%0.207CC..SBendtrans-136.8149.9170.265.9-83.9000110.8I72 W73 K77 G95 P406 K428 I429 F486 V488I72-Y75 WeakPolarHBondContact O-CD1 3.37Å; W73-Y75 VanDerWaalsContact C-N 3.3Å; W73-Y75 WeakPolarHBondContact O-CD1 3.31Å; W73-Y75 PolarHBondContact O-N 2.98Å; Y75-K77 HydrophobicContact CD2-CG 4.01Å; Y75-K77 HydrophobicContact CE2-CD 4.32Å; Y75-K77 HydrophobicContact CE2-CG 3.54Å; Y75-K77 PolarHBondContact O-N 3.2Å; Y75-K77 PolarHBondContact O-NZ 3.06Å; Y75-G95 WeakPolarHBondContact O-CA 3.27Å; Y75-P406 HydrophobicContact CD2-CB 4.36Å; Y75-P406 HydrophobicContact CE2-CB 3.74Å; Y75-K428 VanDerWaalsContact CB-O 3.25Å; Y75-K428 WeakPolarHBondContact CB-O 3.34Å; Y75-I429 HydrophobicContact CD1-CG1 4.23Å; Y75-I429 HydrophobicContact CG-CG1 4.44Å; Y75-F486 HydrophobicContact CE1-CE1 4.21Å; Y75-V488 HydrophobicContact CE1-CG2 3.91Å
76E97.2Very high96.2Very high86 Ų8644.5 Ų44.540%0.40224%0.238SC..  trans-65.4134179.3-62.2-171.2146.700111.5Y78 H92 N93 S427E76-Y78 HydrophobicContact CB-CD2 4.42Å; E76-Y78 HydrophobicContact CB-CE2 3.57Å; E76-Y78 VanDerWaalsContact CD-OH 3.24Å; E76-Y78 PolarHBondContact OE2-OH 3.48Å; E76-H92 IonicContact OE1-NE2 2.89Å; E76-N93 WeakPolarHBondContact CA-O 3.27Å; E76-S427 VanDerWaalsContact O-CB 3.29Å; E76-S427 WeakPolarHBondContact O-CB 3.46Å; E76-S427 PolarHBondContact O-OG 3.45Å
77K97.4Very high96.1Very high42 Ų4241.3 Ų41.318%0.18323%0.227CC..EExtended strand (participates in β ladder)trans-119.1137.4179.9-59161.5-169.469.80108.7W73 Y75 H92 N93 G95W73-K77 PolarHBondContact O-NZ 3.07Å; Y75-K77 HydrophobicContact CD2-CG 4.01Å; Y75-K77 HydrophobicContact CE2-CD 4.32Å; Y75-K77 HydrophobicContact CE2-CG 3.54Å; Y75-K77 PolarHBondContact O-N 3.2Å; Y75-K77 PolarHBondContact O-NZ 3.06Å; K77-H92 VanDerWaalsContact O-CA 3.27Å; K77-H92 WeakPolarHBondContact O-CA 3.34Å; K77-N93 HydrophobicContact CB-CB 4.18Å; K77-N93 HydrophobicContact CD-CB 4.34Å; K77-N93 PolarHBondContact N-O 3.4Å; K77-N93 PolarHBondContact O-N 3.32Å; K77-G95 PolarHBondContact NZ-O 3.24Å
78Y96.5Very high96.1Very high38 Ų3838.1 Ų38.115%0.14921%0.208CC..EExtended strand (participates in β ladder)trans-131.4143.4-176.8-64.3-86000110.7E76 I90 W91 H92 R425E76-Y78 HydrophobicContact CB-CD2 4.42Å; E76-Y78 HydrophobicContact CB-CE2 3.57Å; E76-Y78 VanDerWaalsContact CD-OH 3.24Å; E76-Y78 PolarHBondContact OE2-OH 3.48Å; Y78-I90 HydrophobicContact CD1-CG2 4.19Å; Y78-W91 CarbonylContact C-O 3.48Å; Y78-W91 WeakPolarHBondContact CA-O 3.41Å; Y78-H92 HydrophobicContact CD1-CB 4.18Å; Y78-H92 AromaticContact CD1-CD2 3.8Å; Y78-H92 HydrophobicContact CE1-CB 4.23Å; Y78-H92 AromaticContact CE1-CD2 3.27Å; Y78-H92 WeakPolarHBondContact CE1-CD2 3.47Å; Y78-H92 AromaticContact CE1-CG 3.92Å; Y78-H92 AromaticContact CZ-CD2 3.49Å; Y78-H92 VanDerWaalsContact CZ-CD2 3.49Å; Y78-H92 AromaticContact CZ-NE2 3.92Å; Y78-R425 HydrophobicContact CD1-CG 4.03Å; Y78-R425 HydrophobicContact CD2-CB 3.97Å; Y78-R425 HydrophobicContact CD2-CG 4.21Å; Y78-R425 HydrophobicContact CE1-CG 4.33Å; Y78-R425 HydrophobicContact CE2-CB 4.5Å; Y78-R425 HydrophobicContact CG-CB 4.03Å; Y78-R425 HydrophobicContact CG-CG 3.96Å
79S96.1Very high96.1Very high28 Ų2834.5 Ų34.520%0.19619%0.192CC..PPolyproline II helixtrans-87.9170.4162.470.70000111.6W91S79-W91 PolarHBondContact N-O 2.97Å; S79-W91 PolarHBondContact OG-N 3.44Å
80C96.5Very high96.1Very high7 Ų734.8 Ų34.85%0.04719%0.193CC..PPolyproline II helixtrans-55.7142.4158.8-760000110.6T388 F397 H399C80-T388 HydrophobicContact CB-CG2 3.68Å; C80-T388 WeakPolarHBondContact CB-OG1 3.25Å; C80-F397 HydrophobicContact CB-CB 4Å; C80-H399 VanDerWaalsContact SG-CB 3.55Å; C80-H399 PolarHBondContact SG-N 3Å
81P96.6Very high96.1Very high1 Ų134.6 Ų34.61%0.00619%0.188CC..PPolyproline II helixtrans-60.9147.3164.7-19.929.6000112.6Y88 Y89 I90 L108 T388 F397P81-Y88 HydrophobicContact CB-CD1 4.11Å; P81-Y89 CarbonylContact C-O 3.56Å; P81-Y89 WeakPolarHBondContact CA-O 3.42Å; P81-I90 HydrophobicContact CB-CD1 4.16Å; P81-I90 HydrophobicContact CB-CG1 3.89Å; P81-I90 HydrophobicContact CG-CD1 3.79Å; P81-I90 HydrophobicContact CG-CG1 3.93Å; P81-L108 HydrophobicContact CB-CD2 3.68Å; P81-L108 HydrophobicContact CG-CD2 3.56Å; P81-T388 PolarHBondContact O-OG1 2.93Å; P81-F397 HydrophobicContact CB-CD1 4.33Å; P81-F397 HydrophobicContact CB-CD2 4.02Å; P81-F397 HydrophobicContact CB-CE1 4.22Å; P81-F397 HydrophobicContact CB-CE2 3.9Å; P81-F397 HydrophobicContact CB-CG 4.23Å; P81-F397 HydrophobicContact CB-CZ 4Å; P81-F397 HydrophobicContact CG-CD1 3.75Å; P81-F397 HydrophobicContact CG-CD2 4.29Å; P81-F397 HydrophobicContact CG-CE1 3.82Å; P81-F397 HydrophobicContact CG-CE2 4.36Å; P81-F397 HydrophobicContact CG-CG 4Å; P81-F397 HydrophobicContact CG-CZ 4.13Å; P81-F397 WeakPolarHBondContact O-CD2 3.38Å
82L95.7Very high96.2Very high34 Ų3432.1 Ų32.118%0.17817%0.167CC..EExtended strand (participates in β ladder)trans-119.9125168.8-62.6175.4000108.4Y84 Y88 Y89 Y132 F134 T388L82-Y84 HydrophobicContact CB-CD2 4.1Å; L82-Y84 HydrophobicContact CB-CE2 3.98Å; L82-Y88 CarbonylContact O-C 3.59Å; L82-Y88 VanDerWaalsContact O-CA 3.3Å; L82-Y88 WeakPolarHBondContact O-CA 3.35Å; L82-Y89 PolarHBondContact N-O 3.03Å; L82-Y89 PolarHBondContact O-N 2.81Å; L82-Y132 HydrophobicContact CD1-CE2 3.75Å; L82-Y132 WeakPolarHBondContact CD1-OH 3.34Å; L82-F134 HydrophobicContact CD1-CE2 4.42Å; L82-T388 HydrophobicContact CD2-CG2 3.74Å
83K95.8Very high96.2Very high52 Ų5232.1 Ų32.123%0.22617%0.167CC..EExtended strand (participates in β ladder)trans-95.8120.3179.5-168.8177.4-171169.20109.4F87 Y88 R390 D394 E395K83-F87 WeakPolarHBondContact CA-O 3.49Å; K83-Y88 HydrophobicContact CB-CD1 4.12Å; K83-Y88 HydrophobicContact CB-CE1 4Å; K83-Y88 HydrophobicContact CD-CE1 3.95Å; K83-Y88 HydrophobicContact CG-CD1 4.33Å; K83-Y88 HydrophobicContact CG-CE1 3.95Å; K83-Y88 PolarHBondContact NZ-OH 3.35Å; K83-R390 PolarHBondContact O-NE 3.37Å; K83-R390 PolarHBondContact O-NH1 3.15Å; K83-R390 PolarHBondContact O-NH2 2.98Å; K83-D394 IonicContact NZ-OD1 3.54Å; K83-E395 WeakPolarHBondContact CD-OE1 3.49Å; K83-E395 IonicContact NZ-OE1 2.99Å; K83-E395 PolarHBondContact NZ-OE1 3.2Å
84Y95.4Very high96.2Very high48 Ų4832.9 Ų32.919%0.18818%0.178CC..EExtended strand (participates in β ladder)trans-144.1132.7175.8-74.2-87000110.5L82 S86 F87 F134 R390L82-Y84 HydrophobicContact CB-CD2 4.1Å; L82-Y84 HydrophobicContact CB-CE2 3.98Å; Y84-S86 PolarHBondContact O-N 3.42Å; Y84-F87 PolarHBondContact N-O 3.4Å; Y84-F87 PolarHBondContact O-N 2.86Å; Y84-F134 HydrophobicContact CD1-CB 3.43Å; Y84-F134 VanDerWaalsContact CD1-CB 3.43Å; Y84-F134 HydrophobicContact CD1-CG 4.19Å; Y84-F134 HydrophobicContact CD2-CB 3.89Å; Y84-F134 AromaticContact CD2-CD2 3.54Å; Y84-F134 HydrophobicContact CD2-CD2 3.54Å; Y84-F134 HydrophobicContact CD2-CE2 4.24Å; Y84-F134 AromaticContact CD2-CG 3.75Å; Y84-F134 HydrophobicContact CD2-CG 3.75Å; Y84-F134 HydrophobicContact CE1-CB 3.66Å; Y84-F134 HydrophobicContact CE2-CB 4.08Å; Y84-F134 AromaticContact CE2-CD2 3.64Å; Y84-F134 HydrophobicContact CE2-CD2 3.64Å; Y84-F134 HydrophobicContact CE2-CE2 4.47Å; Y84-F134 HydrophobicContact CE2-CG 4.13Å; Y84-F134 HydrophobicContact CG-CB 3.56Å; Y84-F134 HydrophobicContact CG-CD1 4.46Å; Y84-F134 HydrophobicContact CG-CD2 4.09Å; Y84-F134 AromaticContact CG-CG 3.79Å; Y84-F134 HydrophobicContact CG-CG 3.79Å; Y84-R390 VanDerWaalsContact CD1-NH1 3.35Å
85G91.7Very high96.2Very high36 Ų3630.7 Ų30.737%0.37117%0.166SC..THydrogen-bonded Turntrans52-127.9-170.400000111.7F87 E137G85-F87 VanDerWaalsContact C-N 3.34Å; G85-E137 WeakPolarHBondContact CA-O 3.27Å; G85-E137 PolarHBondContact N-O 3.19Å
86S92Very high96.2Very high93 Ų9332.7 Ų32.765%0.6518%0.179SC*.THydrogen-bonded Turntrans-92.113.3178.5-61.30000114.1Y84Y84-S86 PolarHBondContact O-N 3.42Å
87F96.3Very high96.3Very high18 Ų1830.6 Ų30.68%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-130.3151.8-170.3-56.4-76.3000113.4K83 Y84 G85 Y89 Q104 M105 K106 E161K83-F87 WeakPolarHBondContact CA-O 3.49Å; Y84-F87 PolarHBondContact N-O 3.4Å; Y84-F87 PolarHBondContact O-N 2.86Å; G85-F87 VanDerWaalsContact C-N 3.34Å; F87-Y89 HydrophobicContact CB-CD2 4.43Å; F87-Y89 HydrophobicContact CB-CE2 3.72Å; F87-Q104 HydrophobicContact CB-CG 3.67Å; F87-Q104 HydrophobicContact CD1-CG 3.53Å; F87-Q104 HydrophobicContact CD2-CG 4.37Å; F87-Q104 HydrophobicContact CE1-CG 4.23Å; F87-Q104 HydrophobicContact CG-CG 3.61Å; F87-Q104 VanDerWaalsContact CG-NE2 3.29Å; F87-M105 CarbonylContact C-O 3.5Å; F87-M105 WeakPolarHBondContact CA-O 3.48Å; F87-K106 HydrophobicContact CD1-CG 4.03Å; F87-K106 HydrophobicContact CE1-CG 3.91Å; F87-E161 VanDerWaalsContact CE2-OE2 3.3Å; F87-E161 WeakPolarHBondContact CE2-OE2 3.48Å; F87-E161 WeakPolarHBondContact CZ-OE2 2.95Å
88Y97Very high96.2Very high31 Ų3130.1 Ų30.112%0.12217%0.168CC..EExtended strand (participates in β ladder)trans-99142.2160.2-65.1-90.4000109.7P81 L82 K83 Q104 M105 L108 E395 F397P81-Y88 HydrophobicContact CB-CD1 4.11Å; L82-Y88 CarbonylContact O-C 3.59Å; L82-Y88 VanDerWaalsContact O-CA 3.3Å; L82-Y88 WeakPolarHBondContact O-CA 3.35Å; K83-Y88 HydrophobicContact CB-CD1 4.12Å; K83-Y88 HydrophobicContact CB-CE1 4Å; K83-Y88 HydrophobicContact CD-CE1 3.95Å; K83-Y88 HydrophobicContact CG-CD1 4.33Å; K83-Y88 HydrophobicContact CG-CE1 3.95Å; K83-Y88 PolarHBondContact NZ-OH 3.35Å; Y88-Q104 CarbonylContact O-C 3.38Å; Y88-Q104 WeakPolarHBondContact O-CA 3.33Å; Y88-M105 PolarHBondContact N-O 2.94Å; Y88-M105 PolarHBondContact O-N 2.83Å; Y88-L108 HydrophobicContact CD1-CD2 3.58Å; Y88-L108 HydrophobicContact CD1-CG 4.1Å; Y88-L108 HydrophobicContact CD2-CD2 4.31Å; Y88-L108 HydrophobicContact CD2-CG 4.36Å; Y88-L108 HydrophobicContact CE1-CD1 4.39Å; Y88-L108 HydrophobicContact CE1-CD2 4.09Å; Y88-L108 HydrophobicContact CE1-CG 4.14Å; Y88-L108 HydrophobicContact CE2-CG 4.41Å; Y88-L108 HydrophobicContact CG-CD2 3.7Å; Y88-L108 HydrophobicContact CG-CG 4.2Å; Y88-E395 WeakPolarHBondContact CE1-OE1 3.31Å; Y88-E395 PolarHBondContact OH-OE1 2.69Å; Y88-F397 HydrophobicContact CD1-CZ 4.42Å; Y88-F397 HydrophobicContact CE1-CE2 4.29Å; Y88-F397 AromaticContact CE1-CZ 3.96Å; Y88-F397 HydrophobicContact CE1-CZ 3.96Å
89Y97.5Very high96.3Very high0 Ų029.4 Ų29.40%017%0.166CC..EExtended strand (participates in β ladder)trans-119.3130.3175.8-60.9-95.6000110.2P81 L82 F87 L102 Y103 Q104 F115 F134 C160P81-Y89 CarbonylContact C-O 3.56Å; P81-Y89 WeakPolarHBondContact CA-O 3.42Å; L82-Y89 PolarHBondContact N-O 3.03Å; L82-Y89 PolarHBondContact O-N 2.81Å; F87-Y89 HydrophobicContact CB-CD2 4.43Å; F87-Y89 HydrophobicContact CB-CE2 3.72Å; Y89-L102 HydrophobicContact CD1-CG 4.49Å; Y89-Y103 CarbonylContact C-O 3.58Å; Y89-Y103 WeakPolarHBondContact CA-O 3.12Å; Y89-Q104 HydrophobicContact CD1-CB 4.13Å; Y89-Q104 HydrophobicContact CD1-CG 4.33Å; Y89-Q104 HydrophobicContact CE1-CB 3.97Å; Y89-Q104 HydrophobicContact CE1-CG 3.82Å; Y89-Q104 PolarHBondContact OH-NE2 3.41Å; Y89-F115 HydrophobicContact CD1-CD1 4.01Å; Y89-F115 HydrophobicContact CD1-CE1 4.42Å; Y89-F115 HydrophobicContact CD1-CG 4.24Å; Y89-F115 AromaticContact CE1-CD1 3.84Å; Y89-F115 HydrophobicContact CE1-CD1 3.84Å; Y89-F115 HydrophobicContact CE1-CD2 4.09Å; Y89-F115 AromaticContact CE1-CE1 3.99Å; Y89-F115 HydrophobicContact CE1-CE1 3.99Å; Y89-F115 HydrophobicContact CE1-CE2 4.26Å; Y89-F115 AromaticContact CE1-CG 3.89Å; Y89-F115 HydrophobicContact CE1-CG 3.89Å; Y89-F115 HydrophobicContact CE1-CZ 4.2Å; Y89-F134 AromaticContact CD1-CE1 3.77Å; Y89-F134 HydrophobicContact CD1-CE1 3.77Å; Y89-F134 HydrophobicContact CD1-CE2 4.49Å; Y89-F134 AromaticContact CD1-CZ 3.45Å; Y89-F134 HydrophobicContact CD1-CZ 3.45Å; Y89-F134 VanDerWaalsContact CD1-CZ 3.45Å; Y89-F134 AromaticContact CD2-CE1 4Å; Y89-F134 HydrophobicContact CD2-CE1 4Å; Y89-F134 HydrophobicContact CD2-CE2 4.28Å; Y89-F134 AromaticContact CD2-CZ 3.78Å; Y89-F134 HydrophobicContact CD2-CZ 3.78Å; Y89-F134 AromaticContact CE1-CE1 3.49Å; Y89-F134 HydrophobicContact CE1-CE1 3.49Å; Y89-F134 VanDerWaalsContact CE1-CE1 3.49Å; Y89-F134 AromaticContact CE1-CZ 3.71Å; Y89-F134 HydrophobicContact CE1-CZ 3.71Å; Y89-F134 HydrophobicContact CE2-CD1 4.27Å; Y89-F134 AromaticContact CE2-CE1 3.76Å; Y89-F134 HydrophobicContact CE2-CE1 3.76Å; Y89-F134 HydrophobicContact CE2-CZ 4.05Å; Y89-F134 HydrophobicContact CG-CE1 4Å; Y89-F134 HydrophobicContact CG-CE2 4.13Å; Y89-F134 AromaticContact CG-CZ 3.47Å; Y89-F134 HydrophobicContact CG-CZ 3.47Å; Y89-F134 VanDerWaalsContact CG-CZ 3.47Å; Y89-F134 AromaticContact CZ-CE1 3.48Å; Y89-F134 VanDerWaalsContact CZ-CE1 3.48Å; Y89-F134 AromaticContact CZ-CZ 4Å; Y89-C160 WeakPolarHBondContact OH-CB 3.35Å
90I96.5Very high96.3Very high6 Ų630.1 Ų30.13%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-136.7129.7-178.9-63.5173.5000109.1Y78 P81 Y103 M105 L108Y78-I90 HydrophobicContact CD1-CG2 4.19Å; P81-I90 HydrophobicContact CB-CD1 4.16Å; P81-I90 HydrophobicContact CB-CG1 3.89Å; P81-I90 HydrophobicContact CG-CD1 3.79Å; P81-I90 HydrophobicContact CG-CG1 3.93Å; I90-Y103 PolarHBondContact N-O 3.4Å; I90-Y103 PolarHBondContact O-N 2.87Å; I90-M105 HydrophobicContact CB-CE 4.26Å; I90-M105 HydrophobicContact CD1-CE 3.75Å; I90-M105 HydrophobicContact CD1-SD 3.92Å; I90-M105 HydrophobicContact CG1-CE 4.19Å; I90-L108 HydrophobicContact CD1-CD2 4.19Å
91W96.6Very high96.4Very high35 Ų3529.8 Ų29.813%0.13317%0.169CC..EExtended strand (participates in β ladder)trans-73.9129.5164.2-68.299.3000109.6Y78 S79 S100 V101 L102 L129 Y132Y78-W91 CarbonylContact C-O 3.48Å; Y78-W91 WeakPolarHBondContact CA-O 3.41Å; S79-W91 PolarHBondContact N-O 2.97Å; S79-W91 PolarHBondContact OG-N 3.44Å; W91-S100 VanDerWaalsContact CZ3-O 3.29Å; W91-S100 WeakPolarHBondContact CZ3-O 3.32Å; W91-V101 CarbonylContact C-O 3.58Å; W91-V101 WeakPolarHBondContact CA-O 3.26Å; W91-V101 VanDerWaalsContact CE3-C 3.49Å; W91-L102 HydrophobicContact CD2-CB 4.09Å; W91-L102 HydrophobicContact CD2-CD1 3.98Å; W91-L102 HydrophobicContact CE3-CB 3.85Å; W91-L102 HydrophobicContact CG-CD1 4.12Å; W91-L102 HydrophobicContact CH2-CB 3.72Å; W91-L102 HydrophobicContact CH2-CD2 4.32Å; W91-L102 HydrophobicContact CZ2-CB 3.95Å; W91-L102 HydrophobicContact CZ2-CD1 4.29Å; W91-L102 HydrophobicContact CZ2-CD2 3.9Å; W91-L102 HydrophobicContact CZ2-CG 4.28Å; W91-L102 HydrophobicContact CZ3-CB 3.67Å; W91-L129 HydrophobicContact CH2-CB 4.2Å; W91-L129 HydrophobicContact CH2-CD1 3.9Å; W91-L129 HydrophobicContact CH2-CD2 3.89Å; W91-L129 HydrophobicContact CH2-CG 4.22Å; W91-L129 HydrophobicContact CZ2-CD1 4.22Å; W91-L129 HydrophobicContact CZ2-CD2 3.62Å; W91-L129 HydrophobicContact CZ2-CG 4.41Å; W91-Y132 HydrophobicContact CZ2-CD1 4.25Å; W91-Y132 AromaticContact CZ2-CE1 3.97Å; W91-Y132 HydrophobicContact CZ2-CE1 3.97Å; W91-Y132 AromaticContact NE1-CE1 3.48Å; W91-Y132 AromaticContact NE1-CZ 3.26Å; W91-Y132 VanDerWaalsContact NE1-CZ 3.26Å; W91-Y132 PolarHBondContact NE1-OH 3.38Å
92H97.2Very high96.4Very high6 Ų629.8 Ų29.83%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-136.2135.2176.8165-106000110.5E76 K77 Y78 V101 Y103 K112E76-H92 IonicContact OE1-NE2 2.89Å; K77-H92 VanDerWaalsContact O-CA 3.27Å; K77-H92 WeakPolarHBondContact O-CA 3.34Å; Y78-H92 HydrophobicContact CD1-CB 4.18Å; Y78-H92 AromaticContact CD1-CD2 3.8Å; Y78-H92 HydrophobicContact CE1-CB 4.23Å; Y78-H92 AromaticContact CE1-CD2 3.27Å; Y78-H92 WeakPolarHBondContact CE1-CD2 3.47Å; Y78-H92 AromaticContact CE1-CG 3.92Å; Y78-H92 AromaticContact CZ-CD2 3.49Å; Y78-H92 VanDerWaalsContact CZ-CD2 3.49Å; Y78-H92 AromaticContact CZ-NE2 3.92Å; H92-V101 PolarHBondContact N-O 3.48Å; H92-V101 PolarHBondContact O-N 2.89Å; H92-Y103 HydrophobicContact CB-CD2 3.69Å; H92-Y103 HydrophobicContact CB-CE2 3.69Å; H92-Y103 AromaticContact CG-CE2 3.94Å; H92-Y103 AromaticContact ND1-CE2 3.39Å; H92-Y103 WeakPolarHBondContact ND1-CE2 3.49Å; H92-Y103 AromaticContact ND1-CZ 3.97Å; H92-K112 PolarHBondContact CE1-NZ 3.04Å; H92-K112 VanDerWaalsContact CE1-NZ 3.34Å; H92-K112 PolarHBondContact ND1-NZ 3.04Å
93N97.8Very high96.5Very high5 Ų529.6 Ų29.63%0.02717%0.166CC..EExtended strand (participates in β ladder)trans-119.2124.5168.9-169.2-47.8000107.8E76 K77 G95 L96 Q97E76-N93 WeakPolarHBondContact CA-O 3.27Å; K77-N93 HydrophobicContact CB-CB 4.18Å; K77-N93 HydrophobicContact CD-CB 4.34Å; K77-N93 PolarHBondContact N-O 3.4Å; K77-N93 PolarHBondContact O-N 3.32Å; N93-G95 PolarHBondContact O-N 3.43Å; N93-G95 VanDerWaalsContact O-N 3.12Å; N93-G95 PolarHBondContact OD1-N 3.01Å; N93-G95 PolarHBondContact OD1-O 2.68Å; N93-L96 PolarHBondContact OD1-N 2.89Å; N93-Q97 PolarHBondContact ND2-O 2.69Å; N93-Q97 PolarHBondContact OD1-N 3.43Å; N93-Q97 VanDerWaalsContact OD1-N 3.16Å
94S96.7Very high96.5Very high57 Ų5727.4 Ų27.440%0.39916%0.156SC..  trans-65.4-12.7-179.161.20000114.1Q97S94-Q97 WeakPolarHBondContact OG-CG 3.2Å; S94-Q97 PolarHBondContact OG-OE1 2.72Å
95G97.2Very high96.6Very high0 Ų025.6 Ų25.60%015%0.15CC..SBendtrans152.3-65.9179.600000110.7Y75 K77 N93Y75-G95 WeakPolarHBondContact O-CA 3.27Å; K77-G95 PolarHBondContact NZ-O 3.24Å; N93-G95 PolarHBondContact O-N 3.43Å; N93-G95 VanDerWaalsContact O-N 3.12Å; N93-G95 PolarHBondContact OD1-N 3.01Å; N93-G95 PolarHBondContact OD1-O 2.68Å
96L97.3Very high96.8Very high64 Ų6430.9 Ų30.934%0.33516%0.163SC..SBendtrans-12010.9-168-60.2176.2000114T70 W73 D74 N93 N98 T688 I692T70-L96 HydrophobicContact CG2-CD1 3.63Å; T70-L96 HydrophobicContact CG2-CD2 3.92Å; T70-L96 HydrophobicContact CG2-CG 4.45Å; W73-L96 HydrophobicContact CB-CD2 3.93Å; W73-L96 HydrophobicContact CG-CD2 4.46Å; D74-L96 HydrophobicContact CB-CD1 4.02Å; D74-L96 HydrophobicContact CB-CD2 4.17Å; D74-L96 HydrophobicContact CB-CG 3.93Å; N93-L96 PolarHBondContact OD1-N 2.89Å; L96-N98 PolarHBondContact O-N 3.2Å; L96-T688 HydrophobicContact CD2-CG2 4.5Å; L96-I692 HydrophobicContact CD2-CD1 4.03Å
97Q97.8Very high96.9Very high42 Ų4229.7 Ų29.720%0.19615%0.152CC..  trans-59.7139.7173.9-61.6177.4-89.400109N93 S94 Q99 V101 T688N93-Q97 PolarHBondContact ND2-O 2.69Å; N93-Q97 PolarHBondContact OD1-N 3.43Å; N93-Q97 VanDerWaalsContact OD1-N 3.16Å; S94-Q97 WeakPolarHBondContact OG-CG 3.2Å; S94-Q97 PolarHBondContact OG-OE1 2.72Å; Q97-Q99 VanDerWaalsContact C-N 3.26Å; Q97-Q99 WeakPolarHBondContact CB-O 3.28Å; Q97-Q99 PolarHBondContact O-N 3Å; Q97-V101 VanDerWaalsContact NE2-CG2 3.28Å; Q97-T688 VanDerWaalsContact O-CB 3.31Å; Q97-T688 WeakPolarHBondContact O-CB 3.44Å; Q97-T688 PolarHBondContact O-OG1 3.34Å
98N97.1Very high96.7Very high32 Ų3230.1 Ų30.117%0.17115%0.154CC..SBendtrans-58.9-43.2-179.3-86.5-31.2000110.9L96 N119 E124 P687 T688 S689L96-N98 PolarHBondContact O-N 3.2Å; N98-N119 WeakPolarHBondContact CB-OD1 3.37Å; N98-N119 PolarHBondContact N-OD1 2.94Å; N98-E124 PolarHBondContact ND2-O 2.53Å; N98-P687 HydrophobicContact CB-CB 3.72Å; N98-P687 WeakPolarHBondContact O-CA 3.43Å; N98-P687 WeakPolarHBondContact OD1-CB 3.3Å; N98-T688 PolarHBondContact O-N 3.12Å; N98-T688 PolarHBondContact O-OG1 3.2Å; N98-S689 VanDerWaalsContact OD1-CB 3.27Å; N98-S689 WeakPolarHBondContact OD1-CB 3.37Å; N98-S689 PolarHBondContact OD1-N 3.11Å; N98-S689 VanDerWaalsContact OD1-N 3.17Å; N98-S689 PolarHBondContact OD1-OG 3.41Å
99Q97.1Very high96.4Very high22 Ų2234 Ų3410%0.10319%0.187CC..SBendtrans-122.5148.7173.4-55.7-62.5-24.200110.2Q97 P118 N119 G125 T127 G685Q97-Q99 VanDerWaalsContact C-N 3.26Å; Q97-Q99 WeakPolarHBondContact CB-O 3.28Å; Q97-Q99 PolarHBondContact O-N 3Å; Q99-P118 HydrophobicContact CB-CB 3.83Å; Q99-P118 HydrophobicContact CB-CG 4.11Å; Q99-P118 HydrophobicContact CG-CB 3.99Å; Q99-N119 PolarHBondContact N-OD1 3.21Å; Q99-N119 PolarHBondContact O-ND2 3.27Å; Q99-G125 PolarHBondContact NE2-O 3.24Å; Q99-T127 WeakPolarHBondContact CG-O 3.24Å; Q99-G685 PolarHBondContact NE2-O 2.85Å
100S97Very high96.2Very high43 Ų4335.1 Ų35.130%0.30120%0.198SC..  trans-67.5152170.2-57.70000110.4W91W91-S100 VanDerWaalsContact CZ3-O 3.29Å; W91-S100 WeakPolarHBondContact CZ3-O 3.32Å
101V97.7Very high96.1Very high0 Ų040.6 Ų40.60%023%0.234CC..EExtended strand (participates in β ladder)trans-107.5135.5-179.7-179.60000109.6W91 H92 Q97 Y103 T114 D117W91-V101 CarbonylContact C-O 3.58Å; W91-V101 WeakPolarHBondContact CA-O 3.26Å; W91-V101 VanDerWaalsContact CE3-C 3.49Å; H92-V101 PolarHBondContact N-O 3.48Å; H92-V101 PolarHBondContact O-N 2.89Å; Q97-V101 VanDerWaalsContact NE2-CG2 3.28Å; V101-Y103 HydrophobicContact CB-CD2 4.29Å; V101-Y103 HydrophobicContact CB-CE2 3.66Å; V101-Y103 HydrophobicContact CG1-CD2 4.18Å; V101-Y103 HydrophobicContact CG1-CE1 4.38Å; V101-Y103 HydrophobicContact CG1-CE2 3.75Å; V101-Y103 WeakPolarHBondContact O-CD2 3.07Å; V101-T114 HydrophobicContact CG1-CG2 3.8Å; V101-D117 HydrophobicContact CG1-CB 3.95Å; V101-D117 HydrophobicContact CG2-CB 4.24Å; V101-D117 VanDerWaalsContact CG2-CG 3.49Å; V101-D117 WeakPolarHBondContact CG2-OD1 3.49Å; V101-D117 WeakPolarHBondContact CG2-OD2 3.31Å
102L97.3Very high96Very high1 Ų143.8 Ų43.81%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-85.8117.6174-171.554.6000109Y89 W91 F115 L116 F134Y89-L102 HydrophobicContact CD1-CG 4.49Å; W91-L102 HydrophobicContact CD2-CB 4.09Å; W91-L102 HydrophobicContact CD2-CD1 3.98Å; W91-L102 HydrophobicContact CE3-CB 3.85Å; W91-L102 HydrophobicContact CG-CD1 4.12Å; W91-L102 HydrophobicContact CH2-CB 3.72Å; W91-L102 HydrophobicContact CH2-CD2 4.32Å; W91-L102 HydrophobicContact CZ2-CB 3.95Å; W91-L102 HydrophobicContact CZ2-CD1 4.29Å; W91-L102 HydrophobicContact CZ2-CD2 3.9Å; W91-L102 HydrophobicContact CZ2-CG 4.28Å; W91-L102 HydrophobicContact CZ3-CB 3.67Å; L102-F115 HydrophobicContact CD2-CD1 3.82Å; L102-F115 HydrophobicContact CD2-CE1 4.36Å; L102-F115 HydrophobicContact CG-CD1 4.16Å; L102-F115 WeakPolarHBondContact O-CA 3.27Å; L102-F115 WeakPolarHBondContact O-CB 3.37Å; L102-F115 PolarHBondContact O-N 3.48Å; L102-L116 HydrophobicContact CB-CB 4.12Å; L102-L116 PolarHBondContact N-O 3.11Å; L102-L116 PolarHBondContact O-N 2.92Å; L102-L116 VanDerWaalsContact O-N 3.14Å; L102-F134 HydrophobicContact CD2-CZ 4.26Å
103Y97.2Very high95.9Very high30 Ų3048.5 Ų48.512%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-103149.3175.6-69.4-89000111.2Y89 I90 H92 V101 K112 K113Y89-Y103 CarbonylContact C-O 3.58Å; Y89-Y103 WeakPolarHBondContact CA-O 3.12Å; I90-Y103 PolarHBondContact N-O 3.4Å; I90-Y103 PolarHBondContact O-N 2.87Å; H92-Y103 HydrophobicContact CB-CD2 3.69Å; H92-Y103 HydrophobicContact CB-CE2 3.69Å; H92-Y103 AromaticContact CG-CE2 3.94Å; H92-Y103 AromaticContact ND1-CE2 3.39Å; H92-Y103 WeakPolarHBondContact ND1-CE2 3.49Å; H92-Y103 AromaticContact ND1-CZ 3.97Å; V101-Y103 HydrophobicContact CB-CD2 4.29Å; V101-Y103 HydrophobicContact CB-CE2 3.66Å; V101-Y103 HydrophobicContact CG1-CD2 4.18Å; V101-Y103 HydrophobicContact CG1-CE1 4.38Å; V101-Y103 HydrophobicContact CG1-CE2 3.75Å; V101-Y103 WeakPolarHBondContact O-CD2 3.07Å; Y103-K112 HydrophobicContact CD1-CB 3.86Å; Y103-K112 HydrophobicContact CD1-CD 3.69Å; Y103-K112 HydrophobicContact CD1-CG 3.76Å; Y103-K112 HydrophobicContact CD2-CD 4.43Å; Y103-K112 HydrophobicContact CE1-CD 3.89Å; Y103-K112 HydrophobicContact CE1-CG 4.15Å; Y103-K112 HydrophobicContact CG-CB 4.21Å; Y103-K112 HydrophobicContact CG-CD 3.97Å; Y103-K112 HydrophobicContact CG-CG 4.36Å; Y103-K113 CarbonylContact C-O 3.59Å; Y103-K113 WeakPolarHBondContact CA-O 3.27Å
104Q97.1Very high95.9Very high6 Ų651.1 Ų51.13%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-114.2140.6173.9-178-172.448.300110F87 Y88 Y89 K113 F115 C160F87-Q104 HydrophobicContact CB-CG 3.67Å; F87-Q104 HydrophobicContact CD1-CG 3.53Å; F87-Q104 HydrophobicContact CD2-CG 4.37Å; F87-Q104 HydrophobicContact CE1-CG 4.23Å; F87-Q104 HydrophobicContact CG-CG 3.61Å; F87-Q104 VanDerWaalsContact CG-NE2 3.29Å; Y88-Q104 CarbonylContact O-C 3.38Å; Y88-Q104 WeakPolarHBondContact O-CA 3.33Å; Y89-Q104 HydrophobicContact CD1-CB 4.13Å; Y89-Q104 HydrophobicContact CD1-CG 4.33Å; Y89-Q104 HydrophobicContact CE1-CB 3.97Å; Y89-Q104 HydrophobicContact CE1-CG 3.82Å; Y89-Q104 PolarHBondContact OH-NE2 3.41Å; Q104-K113 PolarHBondContact N-O 3.13Å; Q104-K113 PolarHBondContact O-N 2.88Å; Q104-F115 HydrophobicContact CB-CB 4.01Å; Q104-C160 PolarHBondContact NE2-O 3.37Å
105M96.7Very high95.9Very high11 Ų1149 Ų495%0.05427%0.269CS..EExtended strand (participates in β ladder)trans-150.7148.517760.7-161.275.900111.2F87 Y88 I90 T107 K112F87-M105 CarbonylContact C-O 3.5Å; F87-M105 WeakPolarHBondContact CA-O 3.48Å; Y88-M105 PolarHBondContact N-O 2.94Å; Y88-M105 PolarHBondContact O-N 2.83Å; I90-M105 HydrophobicContact CB-CE 4.26Å; I90-M105 HydrophobicContact CD1-CE 3.75Å; I90-M105 HydrophobicContact CD1-SD 3.92Å; I90-M105 HydrophobicContact CG1-CE 4.19Å; M105-T107 VanDerWaalsContact CG-O 3.26Å; M105-T107 WeakPolarHBondContact CG-O 3.47Å; M105-K112 HydrophobicContact CE-CB 4.1Å
106K95.6Very high95.9Very high146 Ų14649.5 Ų49.564%0.63527%0.272SS*.SBendtrans-75.3-28.7178-70-171174.8-172.50113.3F87F87-K106 HydrophobicContact CD1-CG 4.03Å; F87-K106 HydrophobicContact CE1-CG 3.91Å
107T94.6Very high95.8Very high69 Ų6947.6 Ų47.642%0.42326%0.261SS..SBendtrans-140153.7176.265.60000108.7M105 S109 G110M105-T107 VanDerWaalsContact CG-O 3.26Å; M105-T107 WeakPolarHBondContact CG-O 3.47Å; T107-S109 PolarHBondContact O-N 3.23Å; T107-S109 VanDerWaalsContact O-N 3.14Å; T107-G110 PolarHBondContact O-N 3.43Å; T107-G110 WeakPolarHBondContact OG1-CA 3.29Å; T107-G110 PolarHBondContact OG1-N 3.39Å
108L91.5Very high95.7Very high26 Ų2645.7 Ų45.714%0.13625%0.253CS..THydrogen-bonded Turntrans-63.6-18.7-178.3-64.4173.4000114.6P81 Y88 I90 F397 I424 R425P81-L108 HydrophobicContact CB-CD2 3.68Å; P81-L108 HydrophobicContact CG-CD2 3.56Å; Y88-L108 HydrophobicContact CD1-CD2 3.58Å; Y88-L108 HydrophobicContact CD1-CG 4.1Å; Y88-L108 HydrophobicContact CD2-CD2 4.31Å; Y88-L108 HydrophobicContact CD2-CG 4.36Å; Y88-L108 HydrophobicContact CE1-CD1 4.39Å; Y88-L108 HydrophobicContact CE1-CD2 4.09Å; Y88-L108 HydrophobicContact CE1-CG 4.14Å; Y88-L108 HydrophobicContact CE2-CG 4.41Å; Y88-L108 HydrophobicContact CG-CD2 3.7Å; Y88-L108 HydrophobicContact CG-CG 4.2Å; I90-L108 HydrophobicContact CD1-CD2 4.19Å; L108-F397 HydrophobicContact CD1-CE1 3.57Å; L108-F397 HydrophobicContact CD1-CZ 3.78Å; L108-I424 HydrophobicContact CD1-CD1 4.37Å; L108-R425 PolarHBondContact O-NH2 3.17Å
109S91Very high95.7Very high114 Ų11445.6 Ų45.680%0.79725%0.252SS*.THydrogen-bonded Turntrans-102.6-6175.2570000113.5T107T107-S109 PolarHBondContact O-N 3.23Å; T107-S109 VanDerWaalsContact O-N 3.14Å
110G92.7Very high95.6Very high23 Ų2351.7 Ų51.724%0.23728%0.281CS..SBendtrans-78.9174.6-176.300000113.5T107T107-G110 PolarHBondContact O-N 3.43Å; T107-G110 WeakPolarHBondContact OG1-CA 3.29Å; T107-G110 PolarHBondContact OG1-N 3.39Å
111P94.5Very high95.4Very high121 Ų12153.4 Ų53.479%0.78629%0.286SS*.  trans-63.2136.8175.227.4-34000111
112K94.5Very high95.3Very high102 Ų10254.8 Ų54.844%0.44329%0.293SS..  trans-89.3135.4174.865.3-178.1-177.3-177.50111.3H92 Y103 M105H92-K112 PolarHBondContact CE1-NZ 3.04Å; H92-K112 VanDerWaalsContact CE1-NZ 3.34Å; H92-K112 PolarHBondContact ND1-NZ 3.04Å; Y103-K112 HydrophobicContact CD1-CB 3.86Å; Y103-K112 HydrophobicContact CD1-CD 3.69Å; Y103-K112 HydrophobicContact CD1-CG 3.76Å; Y103-K112 HydrophobicContact CD2-CD 4.43Å; Y103-K112 HydrophobicContact CE1-CD 3.89Å; Y103-K112 HydrophobicContact CE1-CG 4.15Å; Y103-K112 HydrophobicContact CG-CB 4.21Å; Y103-K112 HydrophobicContact CG-CD 3.97Å; Y103-K112 HydrophobicContact CG-CG 4.36Å; M105-K112 HydrophobicContact CE-CB 4.1Å
113K96.2Very high95Very high105 Ų10559.9 Ų59.946%0.45733%0.327SS..EExtended strand (participates in β ladder)trans-110137.2169.7-177.3-171.4170.1-166.40108.5Y103 Q104 F115 S162Y103-K113 CarbonylContact C-O 3.59Å; Y103-K113 WeakPolarHBondContact CA-O 3.27Å; Q104-K113 PolarHBondContact N-O 3.13Å; Q104-K113 PolarHBondContact O-N 2.88Å; K113-F115 PolarHBondContact O-N 3.43Å; K113-S162 PolarHBondContact NZ-O 2.9Å; K113-S162 VanDerWaalsContact NZ-O 3.1Å
114T96.9Very high94.7Very high59 Ų5964 Ų6436%0.36235%0.346SS..EExtended strand (participates in β ladder)trans-63.4127171.4-60.40000109.3V101 D117V101-T114 HydrophobicContact CG1-CG2 3.8Å; T114-D117 HydrophobicContact CG2-CB 3.91Å
115F97Very high94.5Very high13 Ų1363.7 Ų63.76%0.05735%0.345CS..EExtended strand (participates in β ladder)trans-105.4-43.8176.9-179-110.8000111.6Y89 L102 Q104 K113 F134 C141 K158Y89-F115 HydrophobicContact CD1-CD1 4.01Å; Y89-F115 HydrophobicContact CD1-CE1 4.42Å; Y89-F115 HydrophobicContact CD1-CG 4.24Å; Y89-F115 AromaticContact CE1-CD1 3.84Å; Y89-F115 HydrophobicContact CE1-CD1 3.84Å; Y89-F115 HydrophobicContact CE1-CD2 4.09Å; Y89-F115 AromaticContact CE1-CE1 3.99Å; Y89-F115 HydrophobicContact CE1-CE1 3.99Å; Y89-F115 HydrophobicContact CE1-CE2 4.26Å; Y89-F115 AromaticContact CE1-CG 3.89Å; Y89-F115 HydrophobicContact CE1-CG 3.89Å; Y89-F115 HydrophobicContact CE1-CZ 4.2Å; L102-F115 HydrophobicContact CD2-CD1 3.82Å; L102-F115 HydrophobicContact CD2-CE1 4.36Å; L102-F115 HydrophobicContact CG-CD1 4.16Å; L102-F115 WeakPolarHBondContact O-CA 3.27Å; L102-F115 WeakPolarHBondContact O-CB 3.37Å; L102-F115 PolarHBondContact O-N 3.48Å; Q104-F115 HydrophobicContact CB-CB 4.01Å; K113-F115 PolarHBondContact O-N 3.43Å; F115-F134 AromaticContact CE1-CE1 3.96Å; F115-F134 HydrophobicContact CE1-CE1 3.96Å; F115-F134 HydrophobicContact CE1-CZ 4.26Å; F115-F134 HydrophobicContact CZ-CE1 4.31Å; F115-C141 HydrophobicContact CE1-CB 3.95Å; F115-C141 HydrophobicContact CZ-CB 3.88Å; F115-K158 HydrophobicContact CE2-CD 4Å; F115-K158 HydrophobicContact CE2-CG 4.42Å; F115-K158 HydrophobicContact CZ-CD 4.05Å; F115-K158 HydrophobicContact CZ-CG 4.39Å
116L96.2Very high94.4Very high11 Ų1164.1 Ų64.16%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-147.7119.3176.5-172.368.6000110.1L102 L129 Y143L102-L116 HydrophobicContact CB-CB 4.12Å; L102-L116 PolarHBondContact N-O 3.11Å; L102-L116 PolarHBondContact O-N 2.92Å; L102-L116 VanDerWaalsContact O-N 3.14Å; L116-L129 HydrophobicContact CD2-CD1 3.2Å; L116-L129 HydrophobicContact CG-CD1 4.48Å; L116-Y143 HydrophobicContact CD1-CD2 4.31Å; L116-Y143 HydrophobicContact CD1-CE1 4.46Å; L116-Y143 HydrophobicContact CD1-CE2 3.9Å; L116-Y143 HydrophobicContact CD2-CD1 4.47Å; L116-Y143 HydrophobicContact CD2-CD2 3.8Å; L116-Y143 HydrophobicContact CD2-CE2 4.23Å; L116-Y143 HydrophobicContact CD2-CG 3.92Å
117D96.2Very high94.4Very high23 Ų2357.5 Ų57.512%0.12332%0.319CS..  trans-119.6101.8177.4-168.9-15.1000110.5V101 T114 N119 E120V101-D117 HydrophobicContact CG1-CB 3.95Å; V101-D117 HydrophobicContact CG2-CB 4.24Å; V101-D117 VanDerWaalsContact CG2-CG 3.49Å; V101-D117 WeakPolarHBondContact CG2-OD1 3.49Å; V101-D117 WeakPolarHBondContact CG2-OD2 3.31Å; T114-D117 HydrophobicContact CG2-CB 3.91Å; D117-N119 PolarHBondContact O-N 2.77Å; D117-N119 WeakPolarHBondContact OD1-CA 3.39Å; D117-N119 WeakPolarHBondContact OD1-CB 3.19Å; D117-N119 PolarHBondContact OD1-N 3.12Å; D117-N119 PolarHBondContact OD1-ND2 3.31Å; D117-E120 HydrophobicContact CB-CB 4.28Å; D117-E120 HydrophobicContact CB-CG 3.9Å; D117-E120 PolarHBondContact O-N 3.06Å; D117-E120 VanDerWaalsContact O-N 3.1Å
118P95.9Very high94.3Very high2 Ų254.2 Ų54.21%0.01330%0.3CS..Hα-helixtrans-59.9-24.2175.2-23.634.3000113.7Q99 E120 I121 D122 L129Q99-P118 HydrophobicContact CB-CB 3.83Å; Q99-P118 HydrophobicContact CB-CG 4.11Å; Q99-P118 HydrophobicContact CG-CB 3.99Å; P118-E120 VanDerWaalsContact C-N 3.29Å; P118-E120 PolarHBondContact O-N 2.88Å; P118-I121 PolarHBondContact O-N 3.4Å; P118-D122 PolarHBondContact O-N 3.07Å; P118-D122 VanDerWaalsContact O-N 3.09Å; P118-L129 HydrophobicContact CG-CB 4.49Å
119N96.8Very high94.4Very high31 Ų3154.3 Ų54.317%0.16630%0.3CS..Hα-helixtrans-73.7-21.4178.8-47.2-90000112.1N98 Q99 D117 D122 P123N98-N119 WeakPolarHBondContact CB-OD1 3.37Å; N98-N119 PolarHBondContact N-OD1 2.94Å; Q99-N119 PolarHBondContact N-OD1 3.21Å; Q99-N119 PolarHBondContact O-ND2 3.27Å; D117-N119 PolarHBondContact O-N 2.77Å; D117-N119 WeakPolarHBondContact OD1-CA 3.39Å; D117-N119 WeakPolarHBondContact OD1-CB 3.19Å; D117-N119 PolarHBondContact OD1-N 3.12Å; D117-N119 PolarHBondContact OD1-ND2 3.31Å; N119-D122 CarbonylContact O-C 3.55Å; N119-P123 WeakPolarHBondContact O-CA 3.49Å
120E95Very high94.4Very high149 Ų14950.9 Ų50.970%0.69627%0.269SS*.Hα-helixtrans-78.5-32.3172-70-176168.300111.8D117 P118D117-E120 HydrophobicContact CB-CB 4.28Å; D117-E120 HydrophobicContact CB-CG 3.9Å; D117-E120 PolarHBondContact O-N 3.06Å; D117-E120 VanDerWaalsContact O-N 3.1Å; P118-E120 VanDerWaalsContact C-N 3.29Å; P118-E120 PolarHBondContact O-N 2.88Å
121I92.9Very high94.2Very high80 Ų8051.3 Ų51.341%0.4127%0.267SS..Hα-helixtrans-69.8-44.1177-59.2174.6000110.2P118 T127 L145P118-I121 PolarHBondContact O-N 3.4Å; I121-T127 HydrophobicContact CG2-CG2 4.32Å; I121-L145 HydrophobicContact CD1-CD1 4.03Å; I121-L145 HydrophobicContact CD1-CD2 4.18Å
122D94.6Very high94.3Very high28 Ų2849 Ų4915%0.1524%0.243CC..  trans-138.2101.2179.51779.4000110.5P118 N119 E124 G125 L126 T127P118-D122 PolarHBondContact O-N 3.07Å; P118-D122 VanDerWaalsContact O-N 3.09Å; N119-D122 CarbonylContact O-C 3.55Å; D122-E124 PolarHBondContact O-N 3.35Å; D122-E124 WeakPolarHBondContact OD1-CB 3.33Å; D122-E124 PolarHBondContact OD1-N 2.81Å; D122-G125 WeakPolarHBondContact O-CA 3.34Å; D122-G125 PolarHBondContact O-N 3.22Å; D122-L126 VanDerWaalsContact OD2-CA 3.29Å; D122-L126 WeakPolarHBondContact OD2-CA 3.22Å; D122-L126 VanDerWaalsContact OD2-CB 3.27Å; D122-L126 WeakPolarHBondContact OD2-CB 3.44Å; D122-L126 PolarHBondContact OD2-N 2.92Å; D122-T127 VanDerWaalsContact CB-OG1 3.27Å; D122-T127 WeakPolarHBondContact CB-OG1 3.37Å; D122-T127 PolarHBondContact OD2-N 2.92Å; D122-T127 PolarHBondContact OD2-OG1 3.29Å
123P92.1Very high94.4Very high109 Ų10945.6 Ų45.671%0.70823%0.231SC*.THydrogen-bonded Turntrans-60.8-21.8177.8-26.235.8000114.6N119 G125N119-P123 WeakPolarHBondContact O-CA 3.49Å; P123-G125 PolarHBondContact O-N 3.31Å
124E91.2Very high94.5Very high115 Ų11541 Ų4154%0.53721%0.211SC..THydrogen-bonded Turntrans-73.7-15.3172.6-62.4-170.2176.300111.7N98 D122 L126 K679N98-E124 PolarHBondContact ND2-O 2.53Å; D122-E124 PolarHBondContact O-N 3.35Å; D122-E124 WeakPolarHBondContact OD1-CB 3.33Å; D122-E124 PolarHBondContact OD1-N 2.81Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 HydrophobicContact CB-CD1 4.05Å; E124-L126 HydrophobicContact CB-CG 3.88Å; E124-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact OE2-CD1 3.24Å; E124-L126 WeakPolarHBondContact OE2-CD1 3.44Å; E124-K679 IonicContact OE2-NZ 3.98Å; E124-K679 PolarHBondContact OE2-NZ 2.78Å
125G92.6Very high94.5Very high0 Ų038.1 Ų38.10%019%0.194CC..SBendtrans7416179.600000114.3Q99 D122 P123 T127 P687Q99-G125 PolarHBondContact NE2-O 3.24Å; D122-G125 WeakPolarHBondContact O-CA 3.34Å; D122-G125 PolarHBondContact O-N 3.22Å; P123-G125 PolarHBondContact O-N 3.31Å; G125-T127 VanDerWaalsContact C-N 3.32Å; G125-P687 WeakPolarHBondContact O-CB 3.46Å
126L93.7Very high94.3Very high20 Ų2039.7 Ų39.711%0.10520%0.204CC..  trans-82.7-14.2-178.9-53.6176.4000112.5D122 E124 G148 K679 P687 K690D122-L126 VanDerWaalsContact OD2-CA 3.29Å; D122-L126 WeakPolarHBondContact OD2-CA 3.22Å; D122-L126 VanDerWaalsContact OD2-CB 3.27Å; D122-L126 WeakPolarHBondContact OD2-CB 3.44Å; D122-L126 PolarHBondContact OD2-N 2.92Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 HydrophobicContact CB-CD1 4.05Å; E124-L126 HydrophobicContact CB-CG 3.88Å; E124-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact OE2-CD1 3.24Å; E124-L126 WeakPolarHBondContact OE2-CD1 3.44Å; L126-G148 PolarHBondContact O-N 2.98Å; L126-K679 HydrophobicContact CD1-CB 4.03Å; L126-K679 HydrophobicContact CD1-CD 3.45Å; L126-K679 VanDerWaalsContact CD1-CD 3.45Å; L126-K679 HydrophobicContact CD1-CG 4.43Å; L126-K679 HydrophobicContact CD2-CB 4.38Å; L126-P687 HydrophobicContact CD2-CG 4.2Å; L126-K690 HydrophobicContact CD2-CD 4.2Å
127T95.2Very high94.3Very high7 Ų744 Ų444%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-89128.4168.1-54.40000109.6Q99 I121 D122 G125 L145 S146 F147Q99-T127 WeakPolarHBondContact CG-O 3.24Å; I121-T127 HydrophobicContact CG2-CG2 4.32Å; D122-T127 VanDerWaalsContact CB-OG1 3.27Å; D122-T127 WeakPolarHBondContact CB-OG1 3.37Å; D122-T127 PolarHBondContact OD2-N 2.92Å; D122-T127 PolarHBondContact OD2-OG1 3.29Å; G125-T127 VanDerWaalsContact C-N 3.32Å; T127-L145 HydrophobicContact CG2-CB 4.14Å; T127-L145 HydrophobicContact CG2-CD1 4.4Å; T127-L145 HydrophobicContact CG2-CD2 4.14Å; T127-L145 HydrophobicContact CG2-CG 4.46Å; T127-S146 WeakPolarHBondContact CA-O 3.45Å; T127-F147 HydrophobicContact CG2-CD1 3.94Å; T127-F147 HydrophobicContact CG2-CE1 3.74Å; T127-F147 WeakPolarHBondContact OG1-CD1 3.36Å
128S94.2Very high94.2Very high1 Ų143.1 Ų43.11%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-128.7154.2179.665.70000110.5L145 S146 G685S128-L145 WeakPolarHBondContact O-CA 3.47Å; S128-S146 PolarHBondContact N-O 3.29Å; S128-S146 PolarHBondContact O-N 3.13Å; S128-G685 WeakPolarHBondContact OG-CA 3.2Å
129L93.3Very high94.3Very high28 Ų2845.8 Ų45.815%0.14724%0.237CC..EExtended strand (participates in β ladder)trans-85.7127.6172-174.3133.5000110W91 L116 P118 Y132 Y143 G144W91-L129 HydrophobicContact CH2-CB 4.2Å; W91-L129 HydrophobicContact CH2-CD1 3.9Å; W91-L129 HydrophobicContact CH2-CD2 3.89Å; W91-L129 HydrophobicContact CH2-CG 4.22Å; W91-L129 HydrophobicContact CZ2-CD1 4.22Å; W91-L129 HydrophobicContact CZ2-CD2 3.62Å; W91-L129 HydrophobicContact CZ2-CG 4.41Å; L116-L129 HydrophobicContact CD2-CD1 3.2Å; L116-L129 HydrophobicContact CG-CD1 4.48Å; P118-L129 HydrophobicContact CG-CB 4.49Å; L129-Y132 HydrophobicContact CD2-CD1 3.4Å; L129-Y132 HydrophobicContact CD2-CE1 4.06Å; L129-Y132 HydrophobicContact CD2-CG 4.13Å; L129-Y143 HydrophobicContact CD1-CD2 4.09Å; L129-Y143 HydrophobicContact CD1-CG 4.31Å; L129-G144 CarbonylContact C-O 3.56Å; L129-G144 WeakPolarHBondContact CA-O 3.32Å
130R89.9Confident94.4Very high41 Ų4147.5 Ų47.516%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-95.7-50.4-174.5-166.675.2-174.6-135-6.2113.3G144 S150 D151 C153 Q684R130-G144 PolarHBondContact N-O 3.44Å; R130-S150 PolarHBondContact NH1-O 3.05Å; R130-D151 IonicContact CZ-OD1 3.16Å; R130-D151 IonicContact NH1-OD1 2.94Å; R130-D151 PolarHBondContact NH1-OD1 3.15Å; R130-D151 IonicContact NH2-OD1 3.39Å; R130-D151 PolarHBondContact NH2-OD1 2.88Å; R130-C153 VanDerWaalsContact CB-SG 3.6Å; R130-C153 WeakPolarHBondContact CG-SG 3.4Å; R130-Q684 VanDerWaalsContact NE-CD 3.29Å; R130-Q684 VanDerWaalsContact NH2-OE1 3.15Å
131N90.1Very high94.6Very high33 Ų3340.5 Ų40.518%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-147.6159.3-178.859.4-15.2000108.7Y143 G144 S176 I178N131-Y143 WeakPolarHBondContact O-CA 3.19Å; N131-G144 PolarHBondContact O-N 3.44Å; N131-G144 WeakPolarHBondContact OD1-CA 3.03Å; N131-S176 PolarHBondContact ND2-O 3.4Å; N131-I178 HydrophobicContact CB-CD1 4.37Å
132Y95.7Very high94.8Very high73 Ų7336.7 Ų36.729%0.28619%0.19SC..EExtended strand (participates in β ladder)trans-160.4153.517663.2-74.5000109.9L82 W91 L129 F134 C142L82-Y132 HydrophobicContact CD1-CE2 3.75Å; L82-Y132 WeakPolarHBondContact CD1-OH 3.34Å; W91-Y132 HydrophobicContact CZ2-CD1 4.25Å; W91-Y132 AromaticContact CZ2-CE1 3.97Å; W91-Y132 HydrophobicContact CZ2-CE1 3.97Å; W91-Y132 AromaticContact NE1-CE1 3.48Å; W91-Y132 AromaticContact NE1-CZ 3.26Å; W91-Y132 VanDerWaalsContact NE1-CZ 3.26Å; W91-Y132 PolarHBondContact NE1-OH 3.38Å; L129-Y132 HydrophobicContact CD2-CD1 3.4Å; L129-Y132 HydrophobicContact CD2-CE1 4.06Å; L129-Y132 HydrophobicContact CD2-CG 4.13Å; Y132-F134 HydrophobicContact CD2-CD2 4.44Å; Y132-F134 AromaticContact CD2-CE2 3.95Å; Y132-F134 HydrophobicContact CD2-CE2 3.95Å; Y132-F134 AromaticContact CE2-CE2 3.91Å; Y132-F134 HydrophobicContact CE2-CE2 3.91Å; Y132-C142 CarbonylContact C-O 3.48Å; Y132-C142 WeakPolarHBondContact CA-O 3.19Å
133S97.4Very high95Very high29 Ų2935.5 Ų35.520%0.20318%0.183CC..EExtended strand (participates in β ladder)trans-147.8137.1172-172.20000110.4C142 W180S133-C142 PolarHBondContact N-O 2.81Å; S133-C142 PolarHBondContact O-N 3.05Å; S133-W180 PolarHBondContact O-NE1 3.4Å
134F97.7Very high95.2Very high8 Ų830.3 Ų30.34%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-83.3149169-66.7-85.3000110.3L82 Y84 Y89 L102 F115 Y132 Y140 C141L82-F134 HydrophobicContact CD1-CE2 4.42Å; Y84-F134 HydrophobicContact CD1-CB 3.43Å; Y84-F134 VanDerWaalsContact CD1-CB 3.43Å; Y84-F134 HydrophobicContact CD1-CG 4.19Å; Y84-F134 HydrophobicContact CD2-CB 3.89Å; Y84-F134 AromaticContact CD2-CD2 3.54Å; Y84-F134 HydrophobicContact CD2-CD2 3.54Å; Y84-F134 HydrophobicContact CD2-CE2 4.24Å; Y84-F134 AromaticContact CD2-CG 3.75Å; Y84-F134 HydrophobicContact CD2-CG 3.75Å; Y84-F134 HydrophobicContact CE1-CB 3.66Å; Y84-F134 HydrophobicContact CE2-CB 4.08Å; Y84-F134 AromaticContact CE2-CD2 3.64Å; Y84-F134 HydrophobicContact CE2-CD2 3.64Å; Y84-F134 HydrophobicContact CE2-CE2 4.47Å; Y84-F134 HydrophobicContact CE2-CG 4.13Å; Y84-F134 HydrophobicContact CG-CB 3.56Å; Y84-F134 HydrophobicContact CG-CD1 4.46Å; Y84-F134 HydrophobicContact CG-CD2 4.09Å; Y84-F134 AromaticContact CG-CG 3.79Å; Y84-F134 HydrophobicContact CG-CG 3.79Å; Y89-F134 AromaticContact CD1-CE1 3.77Å; Y89-F134 HydrophobicContact CD1-CE1 3.77Å; Y89-F134 HydrophobicContact CD1-CE2 4.49Å; Y89-F134 AromaticContact CD1-CZ 3.45Å; Y89-F134 HydrophobicContact CD1-CZ 3.45Å; Y89-F134 VanDerWaalsContact CD1-CZ 3.45Å; Y89-F134 AromaticContact CD2-CE1 4Å; Y89-F134 HydrophobicContact CD2-CE1 4Å; Y89-F134 HydrophobicContact CD2-CE2 4.28Å; Y89-F134 AromaticContact CD2-CZ 3.78Å; Y89-F134 HydrophobicContact CD2-CZ 3.78Å; Y89-F134 AromaticContact CE1-CE1 3.49Å; Y89-F134 HydrophobicContact CE1-CE1 3.49Å; Y89-F134 VanDerWaalsContact CE1-CE1 3.49Å; Y89-F134 AromaticContact CE1-CZ 3.71Å; Y89-F134 HydrophobicContact CE1-CZ 3.71Å; Y89-F134 HydrophobicContact CE2-CD1 4.27Å; Y89-F134 AromaticContact CE2-CE1 3.76Å; Y89-F134 HydrophobicContact CE2-CE1 3.76Å; Y89-F134 HydrophobicContact CE2-CZ 4.05Å; Y89-F134 HydrophobicContact CG-CE1 4Å; Y89-F134 HydrophobicContact CG-CE2 4.13Å; Y89-F134 AromaticContact CG-CZ 3.47Å; Y89-F134 HydrophobicContact CG-CZ 3.47Å; Y89-F134 VanDerWaalsContact CG-CZ 3.47Å; Y89-F134 AromaticContact CZ-CE1 3.48Å; Y89-F134 VanDerWaalsContact CZ-CE1 3.48Å; Y89-F134 AromaticContact CZ-CZ 4Å; L102-F134 HydrophobicContact CD2-CZ 4.26Å; F115-F134 AromaticContact CE1-CE1 3.96Å; F115-F134 HydrophobicContact CE1-CE1 3.96Å; F115-F134 HydrophobicContact CE1-CZ 4.26Å; F115-F134 HydrophobicContact CZ-CE1 4.31Å; Y132-F134 HydrophobicContact CD2-CD2 4.44Å; Y132-F134 AromaticContact CD2-CE2 3.95Å; Y132-F134 HydrophobicContact CD2-CE2 3.95Å; Y132-F134 AromaticContact CE2-CE2 3.91Å; Y132-F134 HydrophobicContact CE2-CE2 3.91Å; F134-Y140 WeakPolarHBondContact CA-O 3.4Å; F134-C141 HydrophobicContact CD1-CB 3.83Å; F134-C141 HydrophobicContact CE1-CB 3.8Å
135S97.5Very high95.5Very high0 Ų025 Ų250%013%0.125CC..  trans-68.1162.516871.50000110.6E137 G138 T139 Y140 E184S135-E137 PolarHBondContact O-N 2.91Å; S135-G138 WeakPolarHBondContact O-CA 3.44Å; S135-G138 PolarHBondContact O-N 2.94Å; S135-T139 PolarHBondContact OG-N 3.06Å; S135-Y140 PolarHBondContact N-O 3.45Å; S135-Y140 PolarHBondContact OG-N 3.26Å; S135-Y140 PolarHBondContact OG-O 3.46Å; S135-E184 WeakPolarHBondContact CB-OE1 3.14Å; S135-E184 VanDerWaalsContact OG-CD 3.28Å; S135-E184 PolarHBondContact OG-OE1 3.39Å
136V92.8Very high95.6Very high45 Ų4525 Ų2527%0.27313%0.125SC..THydrogen-bonded Turntrans-56.6-48.3-169.1178.20000112.1G138 K182 E184 R392V136-G138 VanDerWaalsContact C-N 3.26Å; V136-G138 PolarHBondContact O-N 3.5Å; V136-K182 HydrophobicContact CG2-CB 4.48Å; V136-E184 PolarHBondContact N-OE1 3.43Å; V136-R392 PolarHBondContact O-NH2 3.07Å
137E94.4Very high95.6Very high101 Ų10128.7 Ų28.747%0.47214%0.14SC..THydrogen-bonded Turntrans-85.41.5178.4-61.1-52.213000113.1G85 S135 T139 E184 R392G85-E137 WeakPolarHBondContact CA-O 3.27Å; G85-E137 PolarHBondContact N-O 3.19Å; S135-E137 PolarHBondContact O-N 2.91Å; E137-T139 VanDerWaalsContact C-N 3.33Å; E137-E184 WeakPolarHBondContact CA-OE1 3.43Å; E137-E184 WeakPolarHBondContact CB-OE1 3.43Å; E137-E184 PolarHBondContact N-OE1 2.94Å; E137-R392 IonicContact OE1-NH1 3.65Å; E137-R392 PolarHBondContact OE1-NH1 2.74Å; E137-R392 IonicContact OE2-NH1 2.67Å
138G96Very high95.4Very high6 Ų628.9 Ų28.96%0.06214%0.143CC..SBendtrans69.530.8-178.100000112.6S135 V136 C160S135-G138 WeakPolarHBondContact O-CA 3.44Å; S135-G138 PolarHBondContact O-N 2.94Å; V136-G138 VanDerWaalsContact C-N 3.26Å; V136-G138 PolarHBondContact O-N 3.5Å; G138-C160 WeakPolarHBondContact O-CB 3.01Å; G138-C160 PolarHBondContact O-SG 2.95Å
139T97.8Very high95.2Very high58 Ų5829.1 Ų29.136%0.35615%0.147SC..SBendtrans-76.4-38.9174-520000111.4S135 E137 C160 E184S135-T139 PolarHBondContact OG-N 3.06Å; E137-T139 VanDerWaalsContact C-N 3.33Å; T139-C160 WeakPolarHBondContact O-CB 3.3Å; T139-C160 PolarHBondContact O-N 3.2Å; T139-E184 WeakPolarHBondContact CB-OE2 3.43Å; T139-E184 PolarHBondContact OG1-OE2 3.46Å
140Y98.4Very high95.2Very high67 Ų6728 Ų2826%0.26314%0.141SC..EExtended strand (participates in β ladder)trans-128.8154.8-175.6-56.1-74.2000111.9F134 S135 K158 T159 L166 W180 E184 L217F134-Y140 WeakPolarHBondContact CA-O 3.4Å; S135-Y140 PolarHBondContact N-O 3.45Å; S135-Y140 PolarHBondContact OG-N 3.26Å; S135-Y140 PolarHBondContact OG-O 3.46Å; Y140-K158 CarbonylContact C-O 3.58Å; Y140-K158 WeakPolarHBondContact CA-O 3.45Å; Y140-T159 HydrophobicContact CD1-CG2 4.14Å; Y140-T159 HydrophobicContact CE1-CG2 3.98Å; Y140-L166 HydrophobicContact CD1-CD1 3.86Å; Y140-L166 HydrophobicContact CE1-CD1 3.96Å; Y140-W180 VanDerWaalsContact CB-CH2 3.48Å; Y140-W180 HydrophobicContact CD2-CH2 4.42Å; Y140-W180 HydrophobicContact CD2-CZ3 4.36Å; Y140-W180 HydrophobicContact CG-CH2 4.19Å; Y140-E184 HydrophobicContact CD2-CB 4.34Å; Y140-E184 HydrophobicContact CE2-CB 4.49Å; Y140-L217 HydrophobicContact CD1-CD1 4.21Å; Y140-L217 HydrophobicContact CD2-CD1 3.78Å; Y140-L217 HydrophobicContact CE1-CD1 4.28Å; Y140-L217 HydrophobicContact CE2-CD1 3.87Å; Y140-L217 HydrophobicContact CG-CD1 3.96Å
141C98.3Very high95.5Very high1 Ų126.2 Ų26.21%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-125.5129167.8-177.40000108.7F115 F134 F157 K158F115-C141 HydrophobicContact CE1-CB 3.95Å; F115-C141 HydrophobicContact CZ-CB 3.88Å; F134-C141 HydrophobicContact CD1-CB 3.83Å; F134-C141 HydrophobicContact CE1-CB 3.8Å; C141-F157 CarbonylContact O-C 3.56Å; C141-F157 WeakPolarHBondContact O-CA 3.47Å; C141-K158 PolarHBondContact N-O 3.33Å; C141-K158 PolarHBondContact O-N 2.91Å
142C98.6Very high95.8Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-101.3131.6167.6-179.90000107.8Y132 S133 K156 F157 I178 W180Y132-C142 CarbonylContact C-O 3.48Å; Y132-C142 WeakPolarHBondContact CA-O 3.19Å; S133-C142 PolarHBondContact N-O 2.81Å; S133-C142 PolarHBondContact O-N 3.05Å; C142-K156 CarbonylContact C-O 3.56Å; C142-K156 VanDerWaalsContact CA-O 3.32Å; C142-K156 WeakPolarHBondContact CA-O 3.46Å; C142-F157 HydrophobicContact CB-CD1 3.55Å; C142-F157 HydrophobicContact CB-CE1 3.43Å; C142-F157 VanDerWaalsContact CB-CE1 3.43Å; C142-F157 HydrophobicContact CB-CG 4.42Å; C142-F157 HydrophobicContact CB-CZ 4.18Å; C142-F157 WeakPolarHBondContact SG-CE1 3.45Å; C142-F157 WeakPolarHBondContact SG-CZ 3.32Å; C142-I178 HydrophobicContact CB-CG2 3.81Å; C142-W180 HydrophobicContact CB-CZ2 3.68Å
143Y97.6Very high95.7Very high4 Ų422.7 Ų22.72%0.01612%0.12CC..EExtended strand (participates in β ladder)trans-140.7142.4-176.465.6-84.1000111.5L116 L129 N131 L145 L155 K156 K158 D165L116-Y143 HydrophobicContact CD1-CD2 4.31Å; L116-Y143 HydrophobicContact CD1-CE1 4.46Å; L116-Y143 HydrophobicContact CD1-CE2 3.9Å; L116-Y143 HydrophobicContact CD2-CD1 4.47Å; L116-Y143 HydrophobicContact CD2-CD2 3.8Å; L116-Y143 HydrophobicContact CD2-CE2 4.23Å; L116-Y143 HydrophobicContact CD2-CG 3.92Å; L129-Y143 HydrophobicContact CD1-CD2 4.09Å; L129-Y143 HydrophobicContact CD1-CG 4.31Å; N131-Y143 WeakPolarHBondContact O-CA 3.19Å; Y143-L145 HydrophobicContact CD2-CD2 4.06Å; Y143-L145 HydrophobicContact CD2-CG 4.18Å; Y143-L145 HydrophobicContact CE2-CD1 4.16Å; Y143-L145 HydrophobicContact CE2-CD2 4.04Å; Y143-L145 HydrophobicContact CE2-CG 4Å; Y143-L155 CarbonylContact O-C 3.46Å; Y143-L155 WeakPolarHBondContact O-CA 3.25Å; Y143-K156 HydrophobicContact CD1-CB 4.44Å; Y143-K156 WeakPolarHBondContact CD1-O 3.29Å; Y143-K156 HydrophobicContact CE1-CB 3.84Å; Y143-K156 HydrophobicContact CE2-CB 3.93Å; Y143-K156 HydrophobicContact CE2-CD 4.36Å; Y143-K156 PolarHBondContact N-O 2.76Å; Y143-K156 PolarHBondContact O-N 2.5Å; Y143-K158 HydrophobicContact CE1-CB 4.04Å; Y143-D165 PolarHBondContact OH-OD1 2.86Å
144G97.1Very high95.7Very high0 Ų023.2 Ų23.20%012%0.119CC..EExtended strand (participates in β ladder)trans-103.1130.4-179.800000112.7L129 R130 N131 E154L129-G144 CarbonylContact C-O 3.56Å; L129-G144 WeakPolarHBondContact CA-O 3.32Å; R130-G144 PolarHBondContact N-O 3.44Å; N131-G144 PolarHBondContact O-N 3.44Å; N131-G144 WeakPolarHBondContact OD1-CA 3.03Å; G144-E154 CarbonylContact C-O 3.42Å; G144-E154 WeakPolarHBondContact CA-O 3.43Å
145L96.6Very high95.7Very high4 Ų422.8 Ų22.82%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-103.4128.9173.9-61.3178.3000110.4I121 T127 S128 Y143 F147 C153 E154 K156I121-L145 HydrophobicContact CD1-CD1 4.03Å; I121-L145 HydrophobicContact CD1-CD2 4.18Å; T127-L145 HydrophobicContact CG2-CB 4.14Å; T127-L145 HydrophobicContact CG2-CD1 4.4Å; T127-L145 HydrophobicContact CG2-CD2 4.14Å; T127-L145 HydrophobicContact CG2-CG 4.46Å; S128-L145 WeakPolarHBondContact O-CA 3.47Å; Y143-L145 HydrophobicContact CD2-CD2 4.06Å; Y143-L145 HydrophobicContact CD2-CG 4.18Å; Y143-L145 HydrophobicContact CE2-CD1 4.16Å; Y143-L145 HydrophobicContact CE2-CD2 4.04Å; Y143-L145 HydrophobicContact CE2-CG 4Å; L145-F147 HydrophobicContact CB-CE2 4.37Å; L145-F147 HydrophobicContact CB-CZ 4.07Å; L145-C153 CarbonylContact O-C 3.54Å; L145-C153 VanDerWaalsContact O-CA 3.3Å; L145-C153 WeakPolarHBondContact O-CA 3.16Å; L145-E154 PolarHBondContact N-O 2.74Å; L145-E154 PolarHBondContact O-N 3.27Å; L145-K156 HydrophobicContact CD1-CD 3.9Å
146S95.7Very high95.7Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-110138.8170.3-70.70000110.1T127 S128 S150 W152 C153T127-S146 WeakPolarHBondContact CA-O 3.45Å; S128-S146 PolarHBondContact N-O 3.29Å; S128-S146 PolarHBondContact O-N 3.13Å; S146-S150 WeakPolarHBondContact CB-O 3.44Å; S146-S150 PolarHBondContact OG-O 2.9Å; S146-W152 WeakPolarHBondContact CA-O 3.42Å; S146-W152 WeakPolarHBondContact CB-O 3.45Å; S146-W152 PolarHBondContact OG-O 2.82Å; S146-C153 PolarHBondContact OG-SG 2.82Å
147F93.8Very high96Very high96 Ų9623.3 Ų23.342%0.42112%0.116SC..EExtended strand (participates in β ladder)trans-110.3137.2-175.4-55.5-82.8000110.7T127 L145 G149 S150 E154T127-F147 HydrophobicContact CG2-CD1 3.94Å; T127-F147 HydrophobicContact CG2-CE1 3.74Å; T127-F147 WeakPolarHBondContact OG1-CD1 3.36Å; L145-F147 HydrophobicContact CB-CE2 4.37Å; L145-F147 HydrophobicContact CB-CZ 4.07Å; F147-G149 PolarHBondContact O-N 3.27Å; F147-S150 PolarHBondContact O-N 3.13Å; F147-S150 VanDerWaalsContact O-N 3.12Å; F147-E154 HydrophobicContact CE2-CB 4.19Å
148G89.7Confident96.2Very high11 Ų1119.2 Ų19.211%0.11310%0.096CC..THydrogen-bonded Turntrans62.615.2176.100000114.4L126 K679 A680 G681L126-G148 PolarHBondContact O-N 2.98Å; G148-K679 CarbonylContact O-C 3.58Å; G148-A680 CarbonylContact O-C 3.59Å; G148-A680 WeakPolarHBondContact O-CA 3.32Å; G148-A680 PolarHBondContact O-N 2.88Å; G148-G681 PolarHBondContact O-N 3.3Å
149G90.4Very high96.2Very high7 Ų720.2 Ų20.27%0.07210%0.101CC..THydrogen-bonded Turntrans78.79.4-176.400000115.8F147 G681F147-G149 PolarHBondContact O-N 3.27Å; G149-G681 WeakPolarHBondContact O-CA 3.44Å
150S94.5Very high96.2Very high4 Ų417.5 Ų17.53%0.0289%0.085CC..  trans-61.8152.7171.7172.90000111.5R130 S146 F147 W152 G201 D644R130-S150 PolarHBondContact NH1-O 3.05Å; S146-S150 WeakPolarHBondContact CB-O 3.44Å; S146-S150 PolarHBondContact OG-O 2.9Å; F147-S150 PolarHBondContact O-N 3.13Å; F147-S150 VanDerWaalsContact O-N 3.12Å; S150-W152 VanDerWaalsContact C-N 3.26Å; S150-W152 WeakPolarHBondContact OG-CB 3.31Å; S150-W152 VanDerWaalsContact OG-CD1 3.24Å; S150-W152 PolarHBondContact OG-N 3.39Å; S150-G201 WeakPolarHBondContact OG-CA 3.3Å; S150-D644 PolarHBondContact OG-OD2 2.83Å
151D95Very high96Very high3 Ų320.7 Ų20.72%0.01610%0.102CC..SBendtrans-70.7-17.4167.4-79.6-14.3000113.6R130 C153 K174 F175 D644 R645R130-D151 IonicContact CZ-OD1 3.16Å; R130-D151 IonicContact NH1-OD1 2.94Å; R130-D151 PolarHBondContact NH1-OD1 3.15Å; R130-D151 IonicContact NH2-OD1 3.39Å; R130-D151 PolarHBondContact NH2-OD1 2.88Å; D151-C153 PolarHBondContact O-SG 2.75Å; D151-K174 HydrophobicContact CB-CD 4.23Å; D151-K174 HydrophobicContact CB-CG 4.1Å; D151-K174 WeakPolarHBondContact O-CG 3.28Å; D151-F175 HydrophobicContact CB-CE1 4.23Å; D151-F175 HydrophobicContact CB-CZ 4.24Å; D151-F175 WeakPolarHBondContact OD2-CE1 3.33Å; D151-F175 WeakPolarHBondContact OD2-CZ 3.41Å; D151-D644 WeakPolarHBondContact CB-OD1 3.44Å; D151-D644 PolarHBondContact N-OD1 2.76Å; D151-D644 PolarHBondContact N-OD2 2.9Å; D151-D644 VanDerWaalsContact N-OD2 3.14Å; D151-R645 VanDerWaalsContact CG-NH2 3.29Å; D151-R645 IonicContact OD1-CZ 3.74Å; D151-R645 IonicContact OD1-NH2 2.81Å; D151-R645 PolarHBondContact OD1-NH2 3.18Å; D151-R645 IonicContact OD2-CZ 3.36Å; D151-R645 VanDerWaalsContact OD2-CZ 3.24Å; D151-R645 IonicContact OD2-NE 2.69Å; D151-R645 PolarHBondContact OD2-NE 3.3Å; D151-R645 IonicContact OD2-NH2 2.72Å; D151-R645 PolarHBondContact OD2-NH2 3.48Å
152W96Very high95.8Very high20 Ų2023 Ų238%0.07612%0.119CC..  trans-63.8144.6172.8-69.2113000112.1S146 S150 H172 K174 Y192 A199 E203S146-W152 WeakPolarHBondContact CA-O 3.42Å; S146-W152 WeakPolarHBondContact CB-O 3.45Å; S146-W152 PolarHBondContact OG-O 2.82Å; S150-W152 VanDerWaalsContact C-N 3.26Å; S150-W152 WeakPolarHBondContact OG-CB 3.31Å; S150-W152 VanDerWaalsContact OG-CD1 3.24Å; S150-W152 PolarHBondContact OG-N 3.39Å; W152-H172 HydrophobicContact CZ3-CB 4.28Å; W152-K174 HydrophobicContact CD2-CD 3.89Å; W152-K174 HydrophobicContact CE3-CB 3.78Å; W152-K174 HydrophobicContact CE3-CD 3.95Å; W152-K174 HydrophobicContact CE3-CG 4.26Å; W152-K174 HydrophobicContact CG-CD 4.47Å; W152-K174 HydrophobicContact CH2-CD 4.21Å; W152-K174 HydrophobicContact CZ2-CD 4.15Å; W152-K174 HydrophobicContact CZ3-CB 3.83Å; W152-K174 HydrophobicContact CZ3-CD 4.11Å; W152-Y192 HydrophobicContact CH2-CD2 4.33Å; W152-Y192 HydrophobicContact CH2-CG 4.26Å; W152-Y192 HydrophobicContact CZ3-CD2 4.19Å; W152-Y192 HydrophobicContact CZ3-CG 4.47Å; W152-A199 HydrophobicContact CD2-CB 4.48Å; W152-A199 HydrophobicContact CZ2-CB 4.06Å; W152-E203 PolarHBondContact NE1-OE1 2.64Å
153C94.7Very high95.6Very high12 Ų1224 Ų248%0.08113%0.128CC..EExtended strand (participates in β ladder)trans-132.2143.1-177.6-580000111.4R130 L145 S146 D151 V173R130-C153 VanDerWaalsContact CB-SG 3.6Å; R130-C153 WeakPolarHBondContact CG-SG 3.4Å; L145-C153 CarbonylContact O-C 3.54Å; L145-C153 VanDerWaalsContact O-CA 3.3Å; L145-C153 WeakPolarHBondContact O-CA 3.16Å; S146-C153 PolarHBondContact OG-SG 2.82Å; D151-C153 PolarHBondContact O-SG 2.75Å; C153-V173 HydrophobicContact CB-CB 4.13Å; C153-V173 HydrophobicContact CB-CG1 4.2Å; C153-V173 PolarHBondContact N-O 2.81Å; C153-V173 WeakPolarHBondContact O-CB 3.12Å; C153-V173 PolarHBondContact O-N 3.06Å
154E96.8Very high95.5Very high40 Ų4030.1 Ų30.119%0.18716%0.157CC..EExtended strand (participates in β ladder)trans-104.9117.9161.1-178.4178.4110.500108.5G144 L145 F147 K156 V169 L170G144-E154 CarbonylContact C-O 3.42Å; G144-E154 WeakPolarHBondContact CA-O 3.43Å; L145-E154 PolarHBondContact N-O 2.74Å; L145-E154 PolarHBondContact O-N 3.27Å; F147-E154 HydrophobicContact CE2-CB 4.19Å; E154-K156 HydrophobicContact CG-CG 4.34Å; E154-K156 IonicContact OE1-NZ 3.85Å; E154-V169 HydrophobicContact CG-CG1 3.4Å; E154-V169 WeakPolarHBondContact OE1-CG1 3.24Å; E154-L170 CarbonylContact C-O 3.56Å; E154-L170 WeakPolarHBondContact CA-O 3.29Å
155L98.4Very high95.5Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-84.4136.3174.5-55-178.2000110.3Y143 V169 L170 V173 I178 Y189Y143-L155 CarbonylContact O-C 3.46Å; Y143-L155 WeakPolarHBondContact O-CA 3.25Å; L155-V169 WeakPolarHBondContact O-CA 3.32Å; L155-L170 HydrophobicContact CB-CB 4.02Å; L155-L170 HydrophobicContact CB-CD1 4.16Å; L155-L170 HydrophobicContact CB-CG 4.25Å; L155-L170 HydrophobicContact CD1-CD1 4.04Å; L155-L170 PolarHBondContact N-O 2.75Å; L155-L170 PolarHBondContact O-N 3.33Å; L155-V173 HydrophobicContact CD1-CG1 4.03Å; L155-V173 HydrophobicContact CD1-CG2 4.02Å; L155-V173 HydrophobicContact CD2-CG1 4.17Å; L155-V173 HydrophobicContact CG-CB 4.23Å; L155-V173 HydrophobicContact CG-CG1 3.99Å; L155-V173 HydrophobicContact CG-CG2 3.93Å; L155-I178 HydrophobicContact CD1-CD1 4.48Å; L155-I178 HydrophobicContact CD1-CG1 4.28Å; L155-I178 HydrophobicContact CD2-CD1 3.85Å; L155-I178 HydrophobicContact CD2-CG1 4.39Å; L155-Y189 HydrophobicContact CD1-CD2 4.05Å; L155-Y189 HydrophobicContact CD1-CG 4.17Å
156K98.3Very high95.6Very high55 Ų5536 Ų3624%0.23919%0.189CC..EExtended strand (participates in β ladder)trans-132.7163.9177.5-56.5-17273.3142.80109.9C142 Y143 L145 E154C142-K156 CarbonylContact C-O 3.56Å; C142-K156 VanDerWaalsContact CA-O 3.32Å; C142-K156 WeakPolarHBondContact CA-O 3.46Å; Y143-K156 HydrophobicContact CD1-CB 4.44Å; Y143-K156 WeakPolarHBondContact CD1-O 3.29Å; Y143-K156 HydrophobicContact CE1-CB 3.84Å; Y143-K156 HydrophobicContact CE2-CB 3.93Å; Y143-K156 HydrophobicContact CE2-CD 4.36Å; Y143-K156 PolarHBondContact N-O 2.76Å; Y143-K156 PolarHBondContact O-N 2.5Å; L145-K156 HydrophobicContact CD1-CD 3.9Å; E154-K156 HydrophobicContact CG-CG 4.34Å; E154-K156 IonicContact OE1-NZ 3.85Å
157F98.5Very high95.7Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-128.8146.2-176.2-61.2-100.5000111.3C141 C142 D165 L166 D168 L170 W180 V187 H215 L217C141-F157 CarbonylContact O-C 3.56Å; C141-F157 WeakPolarHBondContact O-CA 3.47Å; C142-F157 HydrophobicContact CB-CD1 3.55Å; C142-F157 HydrophobicContact CB-CE1 3.43Å; C142-F157 VanDerWaalsContact CB-CE1 3.43Å; C142-F157 HydrophobicContact CB-CG 4.42Å; C142-F157 HydrophobicContact CB-CZ 4.18Å; C142-F157 WeakPolarHBondContact SG-CE1 3.45Å; C142-F157 WeakPolarHBondContact SG-CZ 3.32Å; F157-D165 WeakPolarHBondContact O-CA 3.39Å; F157-L166 HydrophobicContact CB-CB 4.01Å; F157-L166 HydrophobicContact CB-CD1 3.96Å; F157-L166 HydrophobicContact CB-CG 4.3Å; F157-L166 PolarHBondContact O-N 3.15Å; F157-D168 HydrophobicContact CD2-CB 3.58Å; F157-D168 HydrophobicContact CE2-CB 4.04Å; F157-D168 HydrophobicContact CG-CB 4.38Å; F157-L170 HydrophobicContact CE2-CD1 3.88Å; F157-L170 HydrophobicContact CE2-CG 4.08Å; F157-L170 HydrophobicContact CZ-CD1 3.93Å; F157-W180 AromaticContact CD1-CH2 3.74Å; F157-W180 HydrophobicContact CD1-CH2 3.74Å; F157-W180 AromaticContact CD1-CZ2 3.89Å; F157-W180 HydrophobicContact CD1-CZ2 3.89Å; F157-W180 AromaticContact CE1-CH2 3.9Å; F157-W180 HydrophobicContact CE1-CH2 3.9Å; F157-W180 AromaticContact CE1-CZ2 3.99Å; F157-W180 HydrophobicContact CE1-CZ2 3.99Å; F157-V187 HydrophobicContact CE1-CG1 4.05Å; F157-V187 HydrophobicContact CE1-CG2 3.82Å; F157-V187 HydrophobicContact CZ-CG2 3.62Å; F157-H215 AromaticContact CE2-CD2 3.76Å; F157-H215 AromaticContact CE2-NE2 3.95Å; F157-H215 AromaticContact CZ-CD2 3.56Å; F157-L217 HydrophobicContact CB-CD2 4.2Å; F157-L217 HydrophobicContact CD1-CD2 3.45Å; F157-L217 VanDerWaalsContact CD1-CD2 3.45Å; F157-L217 HydrophobicContact CD2-CD2 4.38Å; F157-L217 HydrophobicContact CE1-CD2 3.77Å; F157-L217 HydrophobicContact CG-CD2 3.77Å; F157-L217 HydrophobicContact CZ-CD2 4.39Å
158K97.4Very high95.9Very high15 Ų1537.3 Ų37.37%0.06521%0.206CC..EExtended strand (participates in β ladder)trans-142.8146.4-179.9-177-179.8-71.8-58.50110.3F115 Y140 C141 Y143 G163 E164 D165F115-K158 HydrophobicContact CE2-CD 4Å; F115-K158 HydrophobicContact CE2-CG 4.42Å; F115-K158 HydrophobicContact CZ-CD 4.05Å; F115-K158 HydrophobicContact CZ-CG 4.39Å; Y140-K158 CarbonylContact C-O 3.58Å; Y140-K158 WeakPolarHBondContact CA-O 3.45Å; C141-K158 PolarHBondContact N-O 3.33Å; C141-K158 PolarHBondContact O-N 2.91Å; Y143-K158 HydrophobicContact CE1-CB 4.04Å; K158-G163 WeakPolarHBondContact CD-O 3.27Å; K158-G163 WeakPolarHBondContact CE-O 3.29Å; K158-G163 VanDerWaalsContact CG-C 3.43Å; K158-G163 WeakPolarHBondContact CG-O 3.39Å; K158-G163 PolarHBondContact NZ-O 2.76Å; K158-E164 CarbonylContact C-O 3.54Å; K158-E164 VanDerWaalsContact CA-O 3.31Å; K158-E164 WeakPolarHBondContact CA-O 3.48Å; K158-E164 VanDerWaalsContact CG-O 3.3Å; K158-E164 WeakPolarHBondContact CG-O 3.47Å; K158-D165 WeakPolarHBondContact CE-OD1 3.19Å; K158-D165 IonicContact NZ-OD1 2.75Å; K158-D165 PolarHBondContact NZ-OD1 3.47Å; K158-D165 IonicContact NZ-OD2 3.11Å; K158-D165 PolarHBondContact NZ-OD2 3.42Å
159T97.8Very high96.3Very high27 Ų2739.1 Ų39.117%0.16622%0.215CC..EExtended strand (participates in β ladder)trans-77.2138.5171.358.80000110.8Y140 S162 G163 E164 L166Y140-T159 HydrophobicContact CD1-CG2 4.14Å; Y140-T159 HydrophobicContact CE1-CG2 3.98Å; T159-S162 PolarHBondContact OG1-OG 2.74Å; T159-G163 WeakPolarHBondContact O-CA 3.28Å; T159-G163 PolarHBondContact O-N 3.11Å; T159-E164 PolarHBondContact N-O 3.12Å; T159-E164 PolarHBondContact OG1-N 3.41Å; T159-E164 PolarHBondContact OG1-O 3.3Å; T159-L166 HydrophobicContact CG2-CD2 4Å
160C97.1Very high96.7Very high1 Ų138.8 Ų38.81%0.00721%0.212CC..THydrogen-bonded Turntrans-74.8-36.8-176.2-73.90000113.3Y89 Q104 G138 T139Y89-C160 WeakPolarHBondContact OH-CB 3.35Å; Q104-C160 PolarHBondContact NE2-O 3.37Å; G138-C160 WeakPolarHBondContact O-CB 3.01Å; G138-C160 PolarHBondContact O-SG 2.95Å; T139-C160 WeakPolarHBondContact O-CB 3.3Å; T139-C160 PolarHBondContact O-N 3.2Å
161E94.7Very high96.8Very high134 Ų13443.3 Ų43.363%0.62623%0.232SC*.THydrogen-bonded Turntrans-70.3-55-177.4-174.168.9-157.700112F87F87-E161 VanDerWaalsContact CE2-OE2 3.3Å; F87-E161 WeakPolarHBondContact CE2-OE2 3.48Å; F87-E161 WeakPolarHBondContact CZ-OE2 2.95Å
162S93.6Very high96.8Very high51 Ų5145.4 Ų45.436%0.35724%0.242SC..THydrogen-bonded Turntrans-82.6-35.7-178.468.10000112.2K113 T159 E164K113-S162 PolarHBondContact NZ-O 2.9Å; K113-S162 VanDerWaalsContact NZ-O 3.1Å; T159-S162 PolarHBondContact OG1-OG 2.74Å; S162-E164 WeakPolarHBondContact OG-CB 3.38Å; S162-E164 VanDerWaalsContact OG-CD 3.31Å; S162-E164 VanDerWaalsContact OG-CG 3.27Å; S162-E164 WeakPolarHBondContact OG-CG 3.37Å; S162-E164 PolarHBondContact OG-N 3.42Å; S162-E164 PolarHBondContact OG-OE2 2.93Å
163G93.5Very high96.9Very high20 Ų2044.5 Ų44.521%0.20624%0.239CC..  trans85.317.8-17000000112.8K158 T159K158-G163 WeakPolarHBondContact CD-O 3.27Å; K158-G163 WeakPolarHBondContact CE-O 3.29Å; K158-G163 VanDerWaalsContact CG-C 3.43Å; K158-G163 WeakPolarHBondContact CG-O 3.39Å; K158-G163 PolarHBondContact NZ-O 2.76Å; T159-G163 WeakPolarHBondContact O-CA 3.28Å; T159-G163 PolarHBondContact O-N 3.11Å
164E96.2Very high97Very high132 Ų13244 Ų4462%0.61724%0.235SC*.PPolyproline II helixtrans-86.2134.6-179.3-69.8167.7156.100111.8K158 T159 S162K158-E164 CarbonylContact C-O 3.54Å; K158-E164 VanDerWaalsContact CA-O 3.31Å; K158-E164 WeakPolarHBondContact CA-O 3.48Å; K158-E164 VanDerWaalsContact CG-O 3.3Å; K158-E164 WeakPolarHBondContact CG-O 3.47Å; T159-E164 PolarHBondContact N-O 3.12Å; T159-E164 PolarHBondContact OG1-N 3.41Å; T159-E164 PolarHBondContact OG1-O 3.3Å; S162-E164 WeakPolarHBondContact OG-CB 3.38Å; S162-E164 VanDerWaalsContact OG-CD 3.31Å; S162-E164 VanDerWaalsContact OG-CG 3.27Å; S162-E164 WeakPolarHBondContact OG-CG 3.37Å; S162-E164 PolarHBondContact OG-N 3.42Å; S162-E164 PolarHBondContact OG-OE2 2.93Å
165D97Very high96.9Very high86 Ų8644.4 Ų44.446%0.4624%0.236SC..EExtended strand (participates in β ladder)trans-68.9140174.9-70.2-45.2000111.6Y143 F157 K158Y143-D165 PolarHBondContact OH-OD1 2.86Å; F157-D165 WeakPolarHBondContact O-CA 3.39Å; K158-D165 WeakPolarHBondContact CE-OD1 3.19Å; K158-D165 IonicContact NZ-OD1 2.75Å; K158-D165 PolarHBondContact NZ-OD1 3.47Å; K158-D165 IonicContact NZ-OD2 3.11Å; K158-D165 PolarHBondContact NZ-OD2 3.42Å
166L98.1Very high96.8Very high43 Ų4345.2 Ų45.223%0.22524%0.242CC..EExtended strand (participates in β ladder)trans-87.7156.7169.4-60.4-175.3000109.7Y140 F157 T159 D168 L217Y140-L166 HydrophobicContact CD1-CD1 3.86Å; Y140-L166 HydrophobicContact CE1-CD1 3.96Å; F157-L166 HydrophobicContact CB-CB 4.01Å; F157-L166 HydrophobicContact CB-CD1 3.96Å; F157-L166 HydrophobicContact CB-CG 4.3Å; F157-L166 PolarHBondContact O-N 3.15Å; T159-L166 HydrophobicContact CG2-CD2 4Å; L166-D168 PolarHBondContact O-N 3.11Å; L166-L217 HydrophobicContact CD1-CD2 4.15Å
167P97.8Very high96.6Very high116 Ų11644.2 Ų44.275%0.75324%0.241SC*.EExtended strand (participates in β ladder)trans-70.7-15.4-177.629.4-36.5000114V169P167-V169 PolarHBondContact O-N 2.8Å
168D98.5Very high96.5Very high7 Ų745 Ų454%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-63.5127.6-177.1-53.7-106.2000111.9F157 L166 H215 G218 T219F157-D168 HydrophobicContact CD2-CB 3.58Å; F157-D168 HydrophobicContact CE2-CB 4.04Å; F157-D168 HydrophobicContact CG-CB 4.38Å; L166-D168 PolarHBondContact O-N 3.11Å; D168-H215 IonicContact OD1-CE1 2.9Å; D168-H215 PolarHBondContact OD1-CE1 2.76Å; D168-H215 IonicContact OD1-NE2 3.24Å; D168-H215 PolarHBondContact OD1-NE2 2.74Å; D168-G218 WeakPolarHBondContact OD1-CA 3.33Å; D168-G218 PolarHBondContact OD1-N 3.15Å; D168-G218 PolarHBondContact OD2-N 3.13Å; D168-T219 PolarHBondContact OD1-N 2.95Å
169V98Very high96.6Very high49 Ų4945 Ų4530%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-138.9127178.8179.10000109.2E154 L155 P167 Q171E154-V169 HydrophobicContact CG-CG1 3.4Å; E154-V169 WeakPolarHBondContact OE1-CG1 3.24Å; L155-V169 WeakPolarHBondContact O-CA 3.32Å; P167-V169 PolarHBondContact O-N 2.8Å; V169-Q171 HydrophobicContact CG1-CG 4.4Å
170L98.2Very high96.5Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-117.4121.9179.8-41.1174.3000110.4E154 L155 F157 V173 Y189 H215 Q221E154-L170 CarbonylContact C-O 3.56Å; E154-L170 WeakPolarHBondContact CA-O 3.29Å; L155-L170 HydrophobicContact CB-CB 4.02Å; L155-L170 HydrophobicContact CB-CD1 4.16Å; L155-L170 HydrophobicContact CB-CG 4.25Å; L155-L170 HydrophobicContact CD1-CD1 4.04Å; L155-L170 PolarHBondContact N-O 2.75Å; L155-L170 PolarHBondContact O-N 3.33Å; F157-L170 HydrophobicContact CE2-CD1 3.88Å; F157-L170 HydrophobicContact CE2-CG 4.08Å; F157-L170 HydrophobicContact CZ-CD1 3.93Å; L170-V173 HydrophobicContact CB-CG2 4.39Å; L170-Y189 HydrophobicContact CB-CE2 4.13Å; L170-Y189 HydrophobicContact CD1-CD1 3.95Å; L170-Y189 HydrophobicContact CD1-CD2 4.34Å; L170-Y189 HydrophobicContact CD1-CE1 3.8Å; L170-Y189 HydrophobicContact CD1-CE2 4.2Å; L170-Y189 HydrophobicContact CD1-CG 4.21Å; L170-H215 HydrophobicContact CD1-CB 3.89Å; L170-H215 HydrophobicContact CD2-CB 4.18Å; L170-H215 WeakPolarHBondContact CD2-ND1 3.4Å; L170-Q221 HydrophobicContact CD2-CB 4.03Å; L170-Q221 HydrophobicContact CD2-CG 3.93Å
171Q97Very high96.5Very high99 Ų9944.2 Ų44.246%0.46324%0.241SC..EExtended strand (participates in β ladder)trans-103.9170.8-177.2-60.9-173.9-33.600112.4V169 V173 Q221V169-Q171 HydrophobicContact CG1-CG 4.4Å; Q171-V173 PolarHBondContact O-N 3.36Å; Q171-Q221 VanDerWaalsContact N-NE2 3.17Å; Q171-Q221 PolarHBondContact O-NE2 2.71Å
172H96.1Very high96.5Very high47 Ų4743 Ų4322%0.21823%0.234CC..EExtended strand (participates in β ladder)trans58.330.3-179.1-61-80.6000114.2W152 M191 Y192W152-H172 HydrophobicContact CZ3-CB 4.28Å; H172-M191 HydrophobicContact CB-CE 4.1Å; H172-M191 VanDerWaalsContact O-CA 3.32Å; H172-M191 WeakPolarHBondContact O-CA 3.29Å; H172-M191 WeakPolarHBondContact O-CB 3.33Å; H172-Y192 WeakPolarHBondContact CB-O 3.4Å; H172-Y192 PolarHBondContact O-N 2.59Å
173V97.6Very high96.5Very high1 Ų142.7 Ų42.71%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-87.2130176.8178.80000109.1C153 L155 L170 Q171 Y189C153-V173 HydrophobicContact CB-CB 4.13Å; C153-V173 HydrophobicContact CB-CG1 4.2Å; C153-V173 PolarHBondContact N-O 2.81Å; C153-V173 WeakPolarHBondContact O-CB 3.12Å; C153-V173 PolarHBondContact O-N 3.06Å; L155-V173 HydrophobicContact CD1-CG1 4.03Å; L155-V173 HydrophobicContact CD1-CG2 4.02Å; L155-V173 HydrophobicContact CD2-CG1 4.17Å; L155-V173 HydrophobicContact CG-CB 4.23Å; L155-V173 HydrophobicContact CG-CG1 3.99Å; L155-V173 HydrophobicContact CG-CG2 3.93Å; L170-V173 HydrophobicContact CB-CG2 4.39Å; Q171-V173 PolarHBondContact O-N 3.36Å; V173-Y189 HydrophobicContact CG2-CD2 3.6Å; V173-Y189 HydrophobicContact CG2-CE2 3.66Å
174K96Very high96.6Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-155.4142.2177.3-155.9174.7-161.3165.50108.6D151 W152 S176 Y192 Q210 D644D151-K174 HydrophobicContact CB-CD 4.23Å; D151-K174 HydrophobicContact CB-CG 4.1Å; D151-K174 WeakPolarHBondContact O-CG 3.28Å; W152-K174 HydrophobicContact CD2-CD 3.89Å; W152-K174 HydrophobicContact CE3-CB 3.78Å; W152-K174 HydrophobicContact CE3-CD 3.95Å; W152-K174 HydrophobicContact CE3-CG 4.26Å; W152-K174 HydrophobicContact CG-CD 4.47Å; W152-K174 HydrophobicContact CH2-CD 4.21Å; W152-K174 HydrophobicContact CZ2-CD 4.15Å; W152-K174 HydrophobicContact CZ3-CB 3.83Å; W152-K174 HydrophobicContact CZ3-CD 4.11Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 2.72Å; K174-Y192 HydrophobicContact CB-CD2 3.75Å; K174-Y192 HydrophobicContact CB-CE2 3.76Å; K174-Q210 PolarHBondContact O-NE2 3.08Å; K174-Q210 VanDerWaalsContact O-NE2 3.15Å; K174-D644 WeakPolarHBondContact CE-OD2 3.31Å; K174-D644 IonicContact NZ-OD2 3.28Å; K174-D644 PolarHBondContact NZ-OD2 2.92Å
175F94.9Very high96.6Very high50 Ų5042.6 Ų42.622%0.21922%0.22CC..EExtended strand (participates in β ladder)trans4950179.9-47.2-55.3000113.3D151 Y192 Q210 Q239 I593D151-F175 HydrophobicContact CB-CE1 4.23Å; D151-F175 HydrophobicContact CB-CZ 4.24Å; D151-F175 WeakPolarHBondContact OD2-CE1 3.33Å; D151-F175 WeakPolarHBondContact OD2-CZ 3.41Å; F175-Y192 HydrophobicContact CD2-CE2 4.11Å; F175-Q210 PolarHBondContact O-NE2 2.89Å; F175-Q239 PolarHBondContact O-NE2 3.04Å; F175-I593 HydrophobicContact CD2-CD1 3.99Å; F175-I593 HydrophobicContact CD2-CG1 4.16Å; F175-I593 HydrophobicContact CE2-CB 3.73Å; F175-I593 HydrophobicContact CE2-CD1 3.71Å; F175-I593 HydrophobicContact CE2-CG1 3.57Å; F175-I593 HydrophobicContact CE2-CG2 4.27Å; F175-I593 HydrophobicContact CZ-CB 3.84Å; F175-I593 HydrophobicContact CZ-CG1 3.91Å; F175-I593 HydrophobicContact CZ-CG2 3.85Å
176S96.7Very high96.6Very high17 Ų1738.5 Ų38.512%0.11920%0.199CC..EExtended strand (participates in β ladder)trans-120.3134.3-170.2-177.80000112.7N131 K174 C190N131-S176 PolarHBondContact ND2-O 3.4Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 2.72Å; S176-C190 WeakPolarHBondContact CB-O 3.44Å; S176-C190 PolarHBondContact OG-N 2.99Å; S176-C190 PolarHBondContact OG-O 3.16Å
177S93.2Very high96.6Very high33 Ų3336.4 Ų36.423%0.23119%0.188CC..EExtended strand (participates in β ladder)trans-69.7164.9155.566.10000110.9Q239 G240S177-Q239 PolarHBondContact OG-OE1 2.93Å; S177-G240 PolarHBondContact OG-N 3.37Å; S177-G240 PolarHBondContact OG-O 3.46Å
178I97.8Very high96.6Very high18 Ų1830.9 Ų30.99%0.09215%0.152CC..EExtended strand (participates in β ladder)trans-126.6115.4167.5-59169.1000105.4N131 C142 L155 V187N131-I178 HydrophobicContact CB-CD1 4.37Å; C142-I178 HydrophobicContact CB-CG2 3.81Å; L155-I178 HydrophobicContact CD1-CD1 4.48Å; L155-I178 HydrophobicContact CD1-CG1 4.28Å; L155-I178 HydrophobicContact CD2-CD1 3.85Å; L155-I178 HydrophobicContact CD2-CG1 4.39Å; I178-V187 HydrophobicContact CG2-CB 4.23Å; I178-V187 HydrophobicContact CG2-CG1 4.03Å
179S98Very high96.6Very high13 Ų1330.6 Ų30.69%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-129.6114.4-176.4-161.80000112V187 F188 G240 E241 V242S179-V187 CarbonylContact O-C 3.49Å; S179-V187 WeakPolarHBondContact O-CA 3.44Å; S179-F188 PolarHBondContact N-O 3.07Å; S179-F188 PolarHBondContact O-N 2.88Å; S179-G240 WeakPolarHBondContact CB-O 3.43Å; S179-E241 WeakPolarHBondContact OG-CA 3.48Å; S179-V242 PolarHBondContact OG-N 3.28Å
180W97.6Very high96.6Very high10 Ų1028.2 Ų28.24%0.03814%0.136CC..EExtended strand (participates in β ladder)trans-76.7141.2-178.1-7388.8000112S133 Y140 C142 F157 V187 L217 V242S133-W180 PolarHBondContact O-NE1 3.4Å; Y140-W180 VanDerWaalsContact CB-CH2 3.48Å; Y140-W180 HydrophobicContact CD2-CH2 4.42Å; Y140-W180 HydrophobicContact CD2-CZ3 4.36Å; Y140-W180 HydrophobicContact CG-CH2 4.19Å; C142-W180 HydrophobicContact CB-CZ2 3.68Å; F157-W180 AromaticContact CD1-CH2 3.74Å; F157-W180 HydrophobicContact CD1-CH2 3.74Å; F157-W180 AromaticContact CD1-CZ2 3.89Å; F157-W180 HydrophobicContact CD1-CZ2 3.89Å; F157-W180 AromaticContact CE1-CH2 3.9Å; F157-W180 HydrophobicContact CE1-CH2 3.9Å; F157-W180 AromaticContact CE1-CZ2 3.99Å; F157-W180 HydrophobicContact CE1-CZ2 3.99Å; W180-V187 HydrophobicContact CB-CG1 4.49Å; W180-V187 HydrophobicContact CD2-CG1 3.27Å; W180-V187 HydrophobicContact CE3-CG1 3.58Å; W180-V187 HydrophobicContact CG-CG1 3.7Å; W180-V187 HydrophobicContact CH2-CG1 4.07Å; W180-V187 HydrophobicContact CZ2-CG1 3.81Å; W180-V187 HydrophobicContact CZ3-CG1 3.96Å; W180-L217 HydrophobicContact CH2-CD1 3.89Å; W180-L217 HydrophobicContact CH2-CD2 4.19Å; W180-L217 HydrophobicContact CH2-CG 4.3Å; W180-L217 HydrophobicContact CZ3-CD1 3.73Å; W180-L217 HydrophobicContact CZ3-CG 4.17Å; W180-V242 WeakPolarHBondContact O-CB 3.3Å; W180-V242 WeakPolarHBondContact O-CG2 3.41Å
181T96.7Very high96.6Very high2 Ų229.6 Ų29.61%0.01214%0.143CC..  trans-72150.7161.652.30000110.3D183 E184 G186 F188 Y214T181-D183 VanDerWaalsContact CB-OD1 3.3Å; T181-D183 WeakPolarHBondContact CB-OD1 3.39Å; T181-D183 PolarHBondContact O-N 3.32Å; T181-D183 PolarHBondContact OG1-OD1 3.3Å; T181-E184 PolarHBondContact O-N 3.02Å; T181-G186 PolarHBondContact N-O 3.13Å; T181-G186 VanDerWaalsContact N-O 3.12Å; T181-G186 PolarHBondContact OG1-O 3.1Å; T181-F188 HydrophobicContact CG2-CD2 4.49Å; T181-F188 HydrophobicContact CG2-CE2 3.8Å; T181-Y214 HydrophobicContact CG2-CE2 3.53Å; T181-Y214 PolarHBondContact OG1-OH 3.49Å; T181-Y214 VanDerWaalsContact OG1-OH 3.11Å
182K94Very high96.6Very high110 Ų11025.1 Ų25.148%0.47812%0.122SC..THydrogen-bonded Turntrans-64.7-21.1-178.3-179171.8178.4-174.10114.4V136 E184 C245V136-K182 HydrophobicContact CG2-CB 4.48Å; K182-E184 PolarHBondContact O-N 3.17Å; K182-C245 WeakPolarHBondContact CD-O 3.44Å; K182-C245 PolarHBondContact NZ-O 3.16Å
183D94Very high96.5Very high43 Ų4325.1 Ų25.123%0.2313%0.126CC..THydrogen-bonded Turntrans-81.72.2173.973.7-17.2000113.6T181 K185T181-D183 VanDerWaalsContact CB-OD1 3.3Å; T181-D183 WeakPolarHBondContact CB-OD1 3.39Å; T181-D183 PolarHBondContact O-N 3.32Å; T181-D183 PolarHBondContact OG1-OD1 3.3Å; D183-K185 HydrophobicContact CB-CG 4.4Å; D183-K185 PolarHBondContact O-N 3.14Å; D183-K185 VanDerWaalsContact O-N 3.08Å; D183-K185 PolarHBondContact OD1-N 3.35Å; D183-K185 VanDerWaalsContact OD2-CD 3.24Å; D183-K185 WeakPolarHBondContact OD2-CD 3.33Å; D183-K185 VanDerWaalsContact OD2-CE 3.32Å; D183-K185 WeakPolarHBondContact OD2-CE 3.18Å; D183-K185 WeakPolarHBondContact OD2-CG 3.38Å; D183-K185 IonicContact OD2-NZ 3.84Å; D183-K185 PolarHBondContact OD2-NZ 2.83Å
184E95.4Very high96.2Very high26 Ų2632.8 Ų32.812%0.12116%0.162CC..SBendtrans57.217.9178.5-50.8-165.7127.600114.7S135 V136 E137 T139 Y140 T181 K182S135-E184 WeakPolarHBondContact CB-OE1 3.14Å; S135-E184 VanDerWaalsContact OG-CD 3.28Å; S135-E184 PolarHBondContact OG-OE1 3.39Å; V136-E184 PolarHBondContact N-OE1 3.43Å; E137-E184 WeakPolarHBondContact CA-OE1 3.43Å; E137-E184 WeakPolarHBondContact CB-OE1 3.43Å; E137-E184 PolarHBondContact N-OE1 2.94Å; T139-E184 WeakPolarHBondContact CB-OE2 3.43Å; T139-E184 PolarHBondContact OG1-OE2 3.46Å; Y140-E184 HydrophobicContact CD2-CB 4.34Å; Y140-E184 HydrophobicContact CE2-CB 4.49Å; T181-E184 PolarHBondContact O-N 3.02Å; K182-E184 PolarHBondContact O-N 3.17Å
185K95.7Very high95.8Very high124 Ų12435.1 Ų35.154%0.53917%0.172SC..SBendtrans-85.1-13.3-178.6-65.1-170.9-160.3123.30114.2D183 R216 L217D183-K185 HydrophobicContact CB-CG 4.4Å; D183-K185 PolarHBondContact O-N 3.14Å; D183-K185 VanDerWaalsContact O-N 3.08Å; D183-K185 PolarHBondContact OD1-N 3.35Å; D183-K185 VanDerWaalsContact OD2-CD 3.24Å; D183-K185 WeakPolarHBondContact OD2-CD 3.33Å; D183-K185 VanDerWaalsContact OD2-CE 3.32Å; D183-K185 WeakPolarHBondContact OD2-CE 3.18Å; D183-K185 WeakPolarHBondContact OD2-CG 3.38Å; D183-K185 IonicContact OD2-NZ 3.84Å; D183-K185 PolarHBondContact OD2-NZ 2.83Å; K185-R216 WeakPolarHBondContact O-CA 3.14Å; K185-L217 PolarHBondContact O-N 3.06Å
186G96.6Very high95.3Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-175.2176.4-175.400000114.5T181 Y214 H215T181-G186 PolarHBondContact N-O 3.13Å; T181-G186 VanDerWaalsContact N-O 3.12Å; T181-G186 PolarHBondContact OG1-O 3.1Å; G186-Y214 WeakPolarHBondContact CA-OH 3.27Å; G186-Y214 PolarHBondContact N-OH 2.84Å; G186-H215 CarbonylContact C-O 3.04Å; G186-H215 WeakPolarHBondContact CA-O 3.26Å
187V98Very high94.8Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-130.8141.9-178.7-64.80000111.3F157 I178 S179 W180 Y214 H215F157-V187 HydrophobicContact CE1-CG1 4.05Å; F157-V187 HydrophobicContact CE1-CG2 3.82Å; F157-V187 HydrophobicContact CZ-CG2 3.62Å; I178-V187 HydrophobicContact CG2-CB 4.23Å; I178-V187 HydrophobicContact CG2-CG1 4.03Å; S179-V187 CarbonylContact O-C 3.49Å; S179-V187 WeakPolarHBondContact O-CA 3.44Å; W180-V187 HydrophobicContact CB-CG1 4.49Å; W180-V187 HydrophobicContact CD2-CG1 3.27Å; W180-V187 HydrophobicContact CE3-CG1 3.58Å; W180-V187 HydrophobicContact CG-CG1 3.7Å; W180-V187 HydrophobicContact CH2-CG1 4.07Å; W180-V187 HydrophobicContact CZ2-CG1 3.81Å; W180-V187 HydrophobicContact CZ3-CG1 3.96Å; V187-Y214 WeakPolarHBondContact O-CA 3.4Å; V187-Y214 WeakPolarHBondContact O-CD2 3.42Å; V187-H215 HydrophobicContact CG2-CB 4.24Å; V187-H215 PolarHBondContact N-O 2.7Å; V187-H215 PolarHBondContact O-N 2.77Å
188F98.4Very high94.7Very high0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-80.4134.3159.2-64.6-80.8000109.6S179 T181 L212 M213 Y214 V242 L249 L268 V275 L279S179-F188 PolarHBondContact N-O 3.07Å; S179-F188 PolarHBondContact O-N 2.88Å; T181-F188 HydrophobicContact CG2-CD2 4.49Å; T181-F188 HydrophobicContact CG2-CE2 3.8Å; F188-L212 HydrophobicContact CB-CD1 4.23Å; F188-M213 VanDerWaalsContact CA-O 3.31Å; F188-M213 WeakPolarHBondContact CA-O 3.46Å; F188-Y214 AromaticContact CD1-CD2 3.79Å; F188-Y214 HydrophobicContact CD1-CD2 3.79Å; F188-Y214 HydrophobicContact CD1-CG 4.35Å; F188-Y214 AromaticContact CD2-CD2 4Å; F188-Y214 HydrophobicContact CD2-CD2 4Å; F188-Y214 HydrophobicContact CD2-CE2 4.34Å; F188-Y214 AromaticContact CE1-CD2 3.72Å; F188-Y214 HydrophobicContact CE1-CD2 3.72Å; F188-Y214 HydrophobicContact CE1-CG 4.15Å; F188-Y214 AromaticContact CE2-CD2 3.94Å; F188-Y214 HydrophobicContact CE2-CD2 3.94Å; F188-Y214 HydrophobicContact CE2-CE2 4.14Å; F188-Y214 AromaticContact CG-CD2 3.94Å; F188-Y214 HydrophobicContact CG-CD2 3.94Å; F188-Y214 AromaticContact CZ-CD2 3.81Å; F188-Y214 HydrophobicContact CZ-CD2 3.81Å; F188-Y214 HydrophobicContact CZ-CE2 4.3Å; F188-V242 HydrophobicContact CD2-CG2 3.92Å; F188-V242 HydrophobicContact CE2-CG2 3.96Å; F188-L249 HydrophobicContact CD1-CD1 4.49Å; F188-L249 HydrophobicContact CD1-CD2 3.96Å; F188-L249 HydrophobicContact CD2-CD1 3.67Å; F188-L249 HydrophobicContact CD2-CD2 4.37Å; F188-L249 HydrophobicContact CE1-CD2 3.65Å; F188-L249 HydrophobicContact CE2-CD1 3.85Å; F188-L249 HydrophobicContact CE2-CD2 4.07Å; F188-L249 HydrophobicContact CE2-CG 4.38Å; F188-L249 HydrophobicContact CG-CD1 4Å; F188-L249 HydrophobicContact CG-CD2 4.3Å; F188-L249 HydrophobicContact CZ-CD1 4.34Å; F188-L249 HydrophobicContact CZ-CD2 3.69Å; F188-L249 HydrophobicContact CZ-CG 4.44Å; F188-L268 HydrophobicContact CE2-CD1 4.48Å; F188-L268 HydrophobicContact CZ-CD2 4.14Å; F188-V275 HydrophobicContact CE1-CG2 4.1Å; F188-V275 HydrophobicContact CZ-CG2 3.71Å; F188-L279 HydrophobicContact CE1-CD1 4.12Å
189Y98.5Very high94.4Very high0 Ų047.9 Ų47.90%025%0.251CS..EExtended strand (participates in β ladder)trans-149.1162176.478.7-75.2000110.4L155 L170 V173 M191 M213 H215 Q221 D224L155-Y189 HydrophobicContact CD1-CD2 4.05Å; L155-Y189 HydrophobicContact CD1-CG 4.17Å; L170-Y189 HydrophobicContact CB-CE2 4.13Å; L170-Y189 HydrophobicContact CD1-CD1 3.95Å; L170-Y189 HydrophobicContact CD1-CD2 4.34Å; L170-Y189 HydrophobicContact CD1-CE1 3.8Å; L170-Y189 HydrophobicContact CD1-CE2 4.2Å; L170-Y189 HydrophobicContact CD1-CG 4.21Å; V173-Y189 HydrophobicContact CG2-CD2 3.6Å; V173-Y189 HydrophobicContact CG2-CE2 3.66Å; Y189-M191 HydrophobicContact CD2-CB 4.46Å; Y189-M191 HydrophobicContact CE2-CB 3.9Å; Y189-M191 HydrophobicContact CE2-CG 4.33Å; Y189-M191 HydrophobicContact CE2-SD 4.3Å; Y189-M213 HydrophobicContact CD1-CB 3.82Å; Y189-M213 HydrophobicContact CE1-CB 3.35Å; Y189-M213 HydrophobicContact CE1-CG 4.27Å; Y189-M213 HydrophobicContact CE2-CB 4.4Å; Y189-M213 PolarHBondContact N-O 2.87Å; Y189-M213 PolarHBondContact O-N 2.88Å; Y189-H215 HydrophobicContact CD1-CB 4.2Å; Y189-H215 HydrophobicContact CE1-CB 3.85Å; Y189-Q221 PolarHBondContact OH-NE2 2.78Å; Y189-D224 WeakPolarHBondContact CE1-OD2 3.09Å; Y189-D224 VanDerWaalsContact CZ-OD2 3.25Å; Y189-D224 PolarHBondContact OH-OD2 3.37Å
190C98.3Very high94.2Very high0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-109.8138.8178.5-59.80000111.3S176 Q210 K211 I238S176-C190 WeakPolarHBondContact CB-O 3.44Å; S176-C190 PolarHBondContact OG-N 2.99Å; S176-C190 PolarHBondContact OG-O 3.16Å; C190-Q210 HydrophobicContact CB-CG 4.07Å; C190-K211 CarbonylContact C-O 3.44Å; C190-K211 WeakPolarHBondContact CA-O 3.48Å; C190-I238 PolarHBondContact SG-O 2.89Å
191M97.8Very high94Very high29 Ų2950 Ų5014%0.14326%0.263CS..EExtended strand (participates in β ladder)trans-138.9163177.370.3176.1-6300111.6H172 Y189 K211 M213H172-M191 HydrophobicContact CB-CE 4.1Å; H172-M191 VanDerWaalsContact O-CA 3.32Å; H172-M191 WeakPolarHBondContact O-CA 3.29Å; H172-M191 WeakPolarHBondContact O-CB 3.33Å; Y189-M191 HydrophobicContact CD2-CB 4.46Å; Y189-M191 HydrophobicContact CE2-CB 3.9Å; Y189-M191 HydrophobicContact CE2-CG 4.33Å; Y189-M191 HydrophobicContact CE2-SD 4.3Å; M191-K211 HydrophobicContact CG-CB 4.43Å; M191-K211 PolarHBondContact N-O 2.86Å; M191-K211 PolarHBondContact O-N 2.93Å; M191-M213 HydrophobicContact CG-CG 3.63Å; M191-M213 HydrophobicContact SD-CE 4.38Å; M191-M213 HydrophobicContact SD-CG 3.66Å; M191-M213 HydrophobicContact SD-SD 4.28Å
192Y97.4Very high94Very high4 Ų451 Ų512%0.01627%0.269CS..PPolyproline II helixtrans-103.6150.6171.4-73.7-91.3000110.8W152 H172 K174 F175 N207 T208 Q210 N237W152-Y192 HydrophobicContact CH2-CD2 4.33Å; W152-Y192 HydrophobicContact CH2-CG 4.26Å; W152-Y192 HydrophobicContact CZ3-CD2 4.19Å; W152-Y192 HydrophobicContact CZ3-CG 4.47Å; H172-Y192 WeakPolarHBondContact CB-O 3.4Å; H172-Y192 PolarHBondContact O-N 2.59Å; K174-Y192 HydrophobicContact CB-CD2 3.75Å; K174-Y192 HydrophobicContact CB-CE2 3.76Å; F175-Y192 HydrophobicContact CD2-CE2 4.11Å; Y192-N207 HydrophobicContact CD1-CB 4.01Å; Y192-N207 HydrophobicContact CE1-CB 3.65Å; Y192-T208 VanDerWaalsContact CD1-O 3.28Å; Y192-T208 WeakPolarHBondContact CD1-O 3.44Å; Y192-Q210 HydrophobicContact CD1-CB 4.35Å; Y192-Q210 HydrophobicContact CD2-CG 4.39Å; Y192-Q210 HydrophobicContact CE1-CB 3.77Å; Y192-Q210 HydrophobicContact CE1-CG 4.21Å; Y192-Q210 HydrophobicContact CE2-CB 4.37Å; Y192-Q210 HydrophobicContact CE2-CG 3.89Å; Y192-N237 PolarHBondContact OH-OD1 3.39Å
193P94.7Very high94Very high47 Ų4746.4 Ų46.431%0.30525%0.249SC..PPolyproline II helixtrans-59.1151.9170.3-20.232.4000111.4H195 D209P193-H195 PolarHBondContact O-N 3.17Å; P193-D209 WeakPolarHBondContact CD-O 3.48Å; P193-D209 HydrophobicContact CG-CB 4.06Å
194Q90.6Very high94.1Very high162 Ų16246 Ų4676%0.75725%0.249SC*.PPolyproline II helixtrans-65.9132.4168.1-172.3177.58.500109.8
195H87.2Confident94.1Very high49 Ų4947.4 Ų47.423%0.22726%0.259CS..  trans-115.5163174.859.3-86.2000111.6P193 K198P193-H195 PolarHBondContact O-N 3.17Å; H195-K198 PolarHBondContact NE2-O 3.17Å
196E84Confident94.1Very high194 Ų19443.9 Ų43.991%0.90725%0.248SC*.SBendtrans-66133.5172.8-69.1-171.2170.800110.8
197G87.6Confident94.1Very high74 Ų7444.1 Ų44.176%0.76325%0.249SC*.SBendtrans105-154179.500000113
198K90.9Very high94Very high83 Ų8346.4 Ų46.436%0.36126%0.263SS..  trans-90.3154.6-177.7-62.7172.4-178.8167.30111.2D37 H195 E203D37-K198 IonicContact OD1-NZ 3.47Å; D37-K198 PolarHBondContact OD1-NZ 3.03Å; D37-K198 IonicContact OD2-NZ 2.75Å; D37-K198 PolarHBondContact OD2-NZ 3.08Å; H195-K198 PolarHBondContact NE2-O 3.17Å; K198-E203 HydrophobicContact CB-CB 4.48Å; K198-E203 VanDerWaalsContact O-CG 3.27Å; K198-E203 WeakPolarHBondContact O-CG 3.37Å
199A91.4Very high94Very high35 Ų3549 Ų4929%0.28928%0.277SS..  trans-13854.4170.100000108W152 E203W152-A199 HydrophobicContact CD2-CB 4.48Å; W152-A199 HydrophobicContact CZ2-CB 4.06Å; A199-E203 WeakPolarHBondContact CA-OE2 3.41Å
200D92.8Very high93.9Very high67 Ų6749.2 Ų49.236%0.35828%0.278SS..SBendtrans-116.7-1.3-173.865.25.4000112.7T202 E203 H642D200-T202 WeakPolarHBondContact OD1-CB 3.11Å; D200-T202 PolarHBondContact OD1-N 3.25Å; D200-T202 PolarHBondContact OD1-OG1 2.9Å; D200-E203 PolarHBondContact N-OE2 2.73Å; D200-H642 PolarHBondContact O-CD2 3.39Å
201G94.7Very high93.9Very high2 Ų252 Ų522%0.02129%0.29CS..SBendtrans98.7-7.7-178.200000113.6S150 E203 H642S150-G201 WeakPolarHBondContact OG-CA 3.3Å; G201-E203 PolarHBondContact N-OE2 2.96Å; G201-H642 CarbonylContact O-C 3.59Å; G201-H642 VanDerWaalsContact O-C 3.29Å; G201-H642 VanDerWaalsContact O-CA 3.26Å; G201-H642 WeakPolarHBondContact O-CA 3.49Å
202T95.3Very high93.9Very high23 Ų2350.6 Ų50.614%0.14128%0.283CS..  trans-88.8-19.5174.467.40000112.6P36 D200 H642P36-T202 WeakPolarHBondContact CG-O 3.47Å; D200-T202 WeakPolarHBondContact OD1-CB 3.11Å; D200-T202 PolarHBondContact OD1-N 3.25Å; D200-T202 PolarHBondContact OD1-OG1 2.9Å; T202-H642 WeakPolarHBondContact CG2-NE2 3.31Å
203E95.2Very high94Very high13 Ų1351.3 Ų51.36%0.06129%0.287CS..  trans-71.5156.2179.678.3-72.7173.800112.9W152 K198 A199 D200 G201W152-E203 PolarHBondContact NE1-OE1 2.64Å; K198-E203 HydrophobicContact CB-CB 4.48Å; K198-E203 VanDerWaalsContact O-CG 3.27Å; K198-E203 WeakPolarHBondContact O-CG 3.37Å; A199-E203 WeakPolarHBondContact CA-OE2 3.41Å; D200-E203 PolarHBondContact N-OE2 2.73Å; G201-E203 PolarHBondContact N-OE2 2.96Å
204T96.3Very high94.1Very high35 Ų3549.2 Ų49.222%0.21527%0.273CS..  trans-107.24.5174.361.40000112.5P36 T206 F591 T592 V647 L649P36-T204 HydrophobicContact CG-CG2 4.38Å; T204-T206 PolarHBondContact O-N 3.15Å; T204-F591 VanDerWaalsContact O-CA 3.3Å; T204-F591 WeakPolarHBondContact O-CA 3.42Å; T204-T592 PolarHBondContact O-N 3.37Å; T204-V647 HydrophobicContact CG2-CB 4.27Å; T204-V647 HydrophobicContact CG2-CG1 3.94Å; T204-L649 HydrophobicContact CG2-CD2 3.96Å
205T95.7Very high94.5Very high55 Ų5541.5 Ų41.534%0.33724%0.237SC..  trans-57.1132.4-176.7-53.20000111.2T592T205-T592 VanDerWaalsContact O-CA 3.26Å; T205-T592 WeakPolarHBondContact O-CA 3.47Å; T205-T592 PolarHBondContact O-N 3.16Å
206T95.6Very high95Very high50 Ų5043.4 Ų43.431%0.30724%0.242SC..  trans-65.1136.2178.2-55.80000110.7T204 T208 K590 T592T204-T206 PolarHBondContact O-N 3.15Å; T206-T208 HydrophobicContact CG2-CG2 3.97Å; T206-K590 PolarHBondContact OG1-O 2.94Å; T206-T592 WeakPolarHBondContact CA-O 3.4Å; T206-T592 WeakPolarHBondContact CG2-O 3.32Å
207N95.3Very high95.7Very high4 Ų435.9 Ų35.92%0.02121%0.208CC..  trans-89.7111.5175.7-57.4117.5000109.9Y192 T592 H595Y192-N207 HydrophobicContact CD1-CB 4.01Å; Y192-N207 HydrophobicContact CE1-CB 3.65Å; N207-T592 PolarHBondContact N-O 3.22Å; N207-H595 PolarHBondContact O-NE2 2.84Å
208T96.6Very high96.1Very high49 Ų4935.4 Ų35.430%0.30120%0.203SC..  trans-132.2166177.561.20000112.3Y192 T206 Q210 P234Y192-T208 VanDerWaalsContact CD1-O 3.28Å; Y192-T208 WeakPolarHBondContact CD1-O 3.44Å; T206-T208 HydrophobicContact CG2-CG2 3.97Å; T208-Q210 PolarHBondContact O-N 2.88Å; T208-P234 CarbonylContact C-O 3.37Å; T208-P234 VanDerWaalsContact CA-O 3.24Å; T208-P234 WeakPolarHBondContact CA-O 3.27Å; T208-P234 VanDerWaalsContact CB-O 3.32Å; T208-P234 WeakPolarHBondContact CB-O 3.16Å; T208-P234 HydrophobicContact CG2-CB 4.46Å
209D97.2Very high96.5Very high55 Ų5533.7 Ų33.729%0.29420%0.199SC..  trans63.741.7173.2-55.1-78.1000112.9P193 K211 P234P193-D209 WeakPolarHBondContact CD-O 3.48Å; P193-D209 HydrophobicContact CG-CB 4.06Å; D209-K211 WeakPolarHBondContact O-CG 3.23Å; D209-K211 PolarHBondContact O-N 2.67Å; D209-P234 PolarHBondContact N-O 3.1Å
210Q98.1Very high96.8Very high4 Ų437.7 Ų37.72%0.01922%0.215CC..  trans-56137.2174.7-162-172.440.900110.1K174 F175 C190 Y192 T208 I238K174-Q210 PolarHBondContact O-NE2 3.08Å; K174-Q210 VanDerWaalsContact O-NE2 3.15Å; F175-Q210 PolarHBondContact O-NE2 2.89Å; C190-Q210 HydrophobicContact CB-CG 4.07Å; Y192-Q210 HydrophobicContact CD1-CB 4.35Å; Y192-Q210 HydrophobicContact CD2-CG 4.39Å; Y192-Q210 HydrophobicContact CE1-CB 3.77Å; Y192-Q210 HydrophobicContact CE1-CG 4.21Å; Y192-Q210 HydrophobicContact CE2-CB 4.37Å; Y192-Q210 HydrophobicContact CE2-CG 3.89Å; T208-Q210 PolarHBondContact O-N 2.88Å; Q210-I238 WeakPolarHBondContact O-CD1 3.13Å; Q210-I238 PolarHBondContact OE1-O 3.47Å
211K97.9Very high97Very high57 Ų5736.6 Ų36.625%0.24821%0.208CC..EExtended strand (participates in β ladder)trans-117.3138.4-178-62-178.7174.4-175.60110C190 M191 D209 M213 L226 E229C190-K211 CarbonylContact C-O 3.44Å; C190-K211 WeakPolarHBondContact CA-O 3.48Å; M191-K211 HydrophobicContact CG-CB 4.43Å; M191-K211 PolarHBondContact N-O 2.86Å; M191-K211 PolarHBondContact O-N 2.93Å; D209-K211 WeakPolarHBondContact O-CG 3.23Å; D209-K211 PolarHBondContact O-N 2.67Å; K211-M213 HydrophobicContact CB-CG 4.39Å; K211-M213 HydrophobicContact CB-SD 4.01Å; K211-L226 HydrophobicContact CB-CD1 3.95Å; K211-L226 HydrophobicContact CD-CD1 3.97Å; K211-L226 HydrophobicContact CG-CD1 4.13Å; K211-E229 WeakPolarHBondContact CE-OE2 3.36Å; K211-E229 HydrophobicContact CG-CB 4.22Å; K211-E229 IonicContact NZ-OE2 3.07Å
212L98.4Very high97.2Very high0 Ų041.2 Ų41.20%024%0.24CC..EExtended strand (participates in β ladder)trans-88.3122.7162.9-176.468.6000108.4F188 C227 L228 I238 L249 V251F188-L212 HydrophobicContact CB-CD1 4.23Å; L212-C227 HydrophobicContact CB-CB 4.43Å; L212-C227 HydrophobicContact CD2-CB 4.2Å; L212-C227 HydrophobicContact CG-CB 4.1Å; L212-C227 WeakPolarHBondContact O-CA 3.38Å; L212-C227 WeakPolarHBondContact O-CB 3.13Å; L212-C227 PolarHBondContact O-N 3.45Å; L212-L228 HydrophobicContact CB-CB 4.01Å; L212-L228 HydrophobicContact CD2-CB 4.42Å; L212-L228 PolarHBondContact N-O 2.94Å; L212-L228 PolarHBondContact O-N 3.29Å; L212-L228 VanDerWaalsContact O-N 3.15Å; L212-I238 HydrophobicContact CB-CG2 3.89Å; L212-I238 HydrophobicContact CD2-CG2 4.28Å; L212-I238 HydrophobicContact CG-CG2 4.48Å; L212-L249 HydrophobicContact CD2-CD2 4.37Å; L212-V251 HydrophobicContact CD2-CG1 4.49Å; L212-V251 HydrophobicContact CD2-CG2 4.09Å
213M98.2Very high97.3Very high19 Ų1944.9 Ų44.99%0.09426%0.259CS..EExtended strand (participates in β ladder)trans-116157.3-179.1-57.7-59.9-68.300109.9F188 Y189 M191 K211 D224 I225 L226F188-M213 VanDerWaalsContact CA-O 3.31Å; F188-M213 WeakPolarHBondContact CA-O 3.46Å; Y189-M213 HydrophobicContact CD1-CB 3.82Å; Y189-M213 HydrophobicContact CE1-CB 3.35Å; Y189-M213 HydrophobicContact CE1-CG 4.27Å; Y189-M213 HydrophobicContact CE2-CB 4.4Å; Y189-M213 PolarHBondContact N-O 2.87Å; Y189-M213 PolarHBondContact O-N 2.88Å; M191-M213 HydrophobicContact CG-CG 3.63Å; M191-M213 HydrophobicContact SD-CE 4.38Å; M191-M213 HydrophobicContact SD-CG 3.66Å; M191-M213 HydrophobicContact SD-SD 4.28Å; K211-M213 HydrophobicContact CB-CG 4.39Å; K211-M213 HydrophobicContact CB-SD 4.01Å; M213-D224 HydrophobicContact CE-CB 3.77Å; M213-I225 CarbonylContact C-O 3.6Å; M213-I225 WeakPolarHBondContact CA-O 3.36Å; M213-L226 HydrophobicContact CE-CB 4.38Å; M213-L226 HydrophobicContact SD-CB 4.15Å; M213-L226 HydrophobicContact SD-CD1 3.7Å
214Y98.1Very high97.4Very high3 Ų345.1 Ų45.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-122.6117.4167.5-178.8-102.5000109.6T181 G186 V187 F188 R216 I225 C227 V275T181-Y214 HydrophobicContact CG2-CE2 3.53Å; T181-Y214 PolarHBondContact OG1-OH 3.49Å; T181-Y214 VanDerWaalsContact OG1-OH 3.11Å; G186-Y214 WeakPolarHBondContact CA-OH 3.27Å; G186-Y214 PolarHBondContact N-OH 2.84Å; V187-Y214 WeakPolarHBondContact O-CA 3.4Å; V187-Y214 WeakPolarHBondContact O-CD2 3.42Å; F188-Y214 AromaticContact CD1-CD2 3.79Å; F188-Y214 HydrophobicContact CD1-CD2 3.79Å; F188-Y214 HydrophobicContact CD1-CG 4.35Å; F188-Y214 AromaticContact CD2-CD2 4Å; F188-Y214 HydrophobicContact CD2-CD2 4Å; F188-Y214 HydrophobicContact CD2-CE2 4.34Å; F188-Y214 AromaticContact CE1-CD2 3.72Å; F188-Y214 HydrophobicContact CE1-CD2 3.72Å; F188-Y214 HydrophobicContact CE1-CG 4.15Å; F188-Y214 AromaticContact CE2-CD2 3.94Å; F188-Y214 HydrophobicContact CE2-CD2 3.94Å; F188-Y214 HydrophobicContact CE2-CE2 4.14Å; F188-Y214 AromaticContact CG-CD2 3.94Å; F188-Y214 HydrophobicContact CG-CD2 3.94Å; F188-Y214 AromaticContact CZ-CD2 3.81Å; F188-Y214 HydrophobicContact CZ-CD2 3.81Å; F188-Y214 HydrophobicContact CZ-CE2 4.3Å; Y214-R216 HydrophobicContact CD1-CG 4.16Å; Y214-R216 HydrophobicContact CE1-CG 3.66Å; Y214-I225 HydrophobicContact CD1-CD1 3.92Å; Y214-I225 PolarHBondContact N-O 2.85Å; Y214-I225 PolarHBondContact O-N 2.87Å; Y214-C227 WeakPolarHBondContact CB-SG 3.33Å; Y214-V275 HydrophobicContact CD1-CB 3.75Å; Y214-V275 HydrophobicContact CD1-CG1 4.19Å; Y214-V275 HydrophobicContact CD1-CG2 4.27Å; Y214-V275 HydrophobicContact CD2-CG2 4.45Å; Y214-V275 HydrophobicContact CE1-CB 4.16Å; Y214-V275 HydrophobicContact CE1-CG2 4.44Å; Y214-V275 HydrophobicContact CG-CB 4.03Å; Y214-V275 HydrophobicContact CG-CG1 4.15Å; Y214-V275 HydrophobicContact CG-CG2 4.25Å
215H98.3Very high97.4Very high0 Ų044.4 Ų44.40%026%0.255CS..EExtended strand (participates in β ladder)trans-97.4133.1176.9174.366.7000110.1F157 D168 L170 G186 V187 Y189 T219 D224F157-H215 AromaticContact CE2-CD2 3.76Å; F157-H215 AromaticContact CE2-NE2 3.95Å; F157-H215 AromaticContact CZ-CD2 3.56Å; D168-H215 IonicContact OD1-CE1 2.9Å; D168-H215 PolarHBondContact OD1-CE1 2.76Å; D168-H215 IonicContact OD1-NE2 3.24Å; D168-H215 PolarHBondContact OD1-NE2 2.74Å; L170-H215 HydrophobicContact CD1-CB 3.89Å; L170-H215 HydrophobicContact CD2-CB 4.18Å; L170-H215 WeakPolarHBondContact CD2-ND1 3.4Å; G186-H215 CarbonylContact C-O 3.04Å; G186-H215 WeakPolarHBondContact CA-O 3.26Å; V187-H215 HydrophobicContact CG2-CB 4.24Å; V187-H215 PolarHBondContact N-O 2.7Å; V187-H215 PolarHBondContact O-N 2.77Å; Y189-H215 HydrophobicContact CD1-CB 4.2Å; Y189-H215 HydrophobicContact CE1-CB 3.85Å; H215-T219 PolarHBondContact CE1-O 2.62Å; H215-D224 WeakPolarHBondContact CA-OD1 3.18Å; H215-D224 WeakPolarHBondContact CB-OD1 3.28Å; H215-D224 IonicContact CE1-OD1 2.74Å; H215-D224 IonicContact CG-OD1 3.46Å; H215-D224 IonicContact ND1-OD1 3.39Å; H215-D224 PolarHBondContact ND1-OD1 2.86Å; H215-D224 IonicContact ND1-OD2 2.65Å
216R97.6Very high97.5Very high90 Ų9043.9 Ų43.934%0.3425%0.25SS..EExtended strand (participates in β ladder)trans-98.7131.2171.1-69.5-177.1-171.3142.32.4109.7K185 Y214 G218 T219 V275K185-R216 WeakPolarHBondContact O-CA 3.14Å; Y214-R216 HydrophobicContact CD1-CG 4.16Å; Y214-R216 HydrophobicContact CE1-CG 3.66Å; R216-G218 PolarHBondContact O-N 2.98Å; R216-T219 HydrophobicContact CB-CG2 4.04Å; R216-T219 WeakPolarHBondContact O-CB 3.45Å; R216-T219 PolarHBondContact O-N 2.75Å; R216-T219 PolarHBondContact O-OG1 3.12Å; R216-V275 PolarHBondContact NH2-O 3.36Å
217L97.7Very high97.6Very high36 Ų3641.6 Ų41.619%0.18824%0.236CC..THydrogen-bonded Turntrans-57138.7175.8-72.4-178.7000111.4Y140 F157 L166 W180 K185Y140-L217 HydrophobicContact CD1-CD1 4.21Å; Y140-L217 HydrophobicContact CD2-CD1 3.78Å; Y140-L217 HydrophobicContact CE1-CD1 4.28Å; Y140-L217 HydrophobicContact CE2-CD1 3.87Å; Y140-L217 HydrophobicContact CG-CD1 3.96Å; F157-L217 HydrophobicContact CB-CD2 4.2Å; F157-L217 HydrophobicContact CD1-CD2 3.45Å; F157-L217 VanDerWaalsContact CD1-CD2 3.45Å; F157-L217 HydrophobicContact CD2-CD2 4.38Å; F157-L217 HydrophobicContact CE1-CD2 3.77Å; F157-L217 HydrophobicContact CG-CD2 3.77Å; F157-L217 HydrophobicContact CZ-CD2 4.39Å; L166-L217 HydrophobicContact CD1-CD2 4.15Å; W180-L217 HydrophobicContact CH2-CD1 3.89Å; W180-L217 HydrophobicContact CH2-CD2 4.19Å; W180-L217 HydrophobicContact CH2-CG 4.3Å; W180-L217 HydrophobicContact CZ3-CD1 3.73Å; W180-L217 HydrophobicContact CZ3-CG 4.17Å; K185-L217 PolarHBondContact O-N 3.06Å
218G97.7Very high97.7Very high63 Ų6342.5 Ų42.565%0.64924%0.241SC*.THydrogen-bonded Turntrans80.315-178.100000114.5D168 R216D168-G218 WeakPolarHBondContact OD1-CA 3.33Å; D168-G218 PolarHBondContact OD1-N 3.15Å; D168-G218 PolarHBondContact OD2-N 3.13Å; R216-G218 PolarHBondContact O-N 2.98Å
219T98Very high97.7Very high48 Ų4842.8 Ų42.829%0.29424%0.238SC..SBendtrans-119.816417968.70000111.7D168 H215 R216D168-T219 PolarHBondContact OD1-N 2.95Å; H215-T219 PolarHBondContact CE1-O 2.62Å; R216-T219 HydrophobicContact CB-CG2 4.04Å; R216-T219 WeakPolarHBondContact O-CB 3.45Å; R216-T219 PolarHBondContact O-N 2.75Å; R216-T219 PolarHBondContact O-OG1 3.12Å
220L98Very high97.6Very high119 Ų11943.8 Ų43.862%0.62324%0.238SC*.  trans-78.5149.3174.4-65.3174.9000110S222 D223L220-S222 WeakPolarHBondContact CB-OG 3.45Å; L220-S222 PolarHBondContact O-N 3.04Å; L220-S222 VanDerWaalsContact O-N 3.07Å; L220-D223 WeakPolarHBondContact O-CB 3.2Å; L220-D223 PolarHBondContact O-N 2.88Å
221Q98.2Very high97.5Very high44 Ų4447.6 Ų47.621%0.20626%0.263CS..G310 helixtrans-55-30174.4-170-178.616.900112.5L170 Q171 Y189 D223 D224L170-Q221 HydrophobicContact CD2-CB 4.03Å; L170-Q221 HydrophobicContact CD2-CG 3.93Å; Q171-Q221 VanDerWaalsContact N-NE2 3.17Å; Q171-Q221 PolarHBondContact O-NE2 2.71Å; Y189-Q221 PolarHBondContact OH-NE2 2.78Å; Q221-D223 PolarHBondContact O-N 3.16Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.49Å; Q221-D224 WeakPolarHBondContact O-CB 3.44Å; Q221-D224 PolarHBondContact O-N 2.91Å
222S97.3Very high97.5Very high99 Ų9949 Ų4969%0.69227%0.274SS*.G310 helixtrans-63-19175.756.50000114.1L220L220-S222 WeakPolarHBondContact CB-OG 3.45Å; L220-S222 PolarHBondContact O-N 3.04Å; L220-S222 VanDerWaalsContact O-N 3.07Å
223D97.3Very high97.4Very high100 Ų10052.3 Ų52.354%0.53529%0.289SS..G310 helixtrans-93.3-1.4178.3-55.9-32.6000112.1L220 Q221L220-D223 WeakPolarHBondContact O-CB 3.2Å; L220-D223 PolarHBondContact O-N 2.88Å; Q221-D223 PolarHBondContact O-N 3.16Å
224D97.9Very high97.3Very high18 Ų1853.8 Ų53.810%0.09630%0.3CS..  trans-62.1140-178.5-73.1-3.3000111.7Y189 M213 H215 Q221 L226Y189-D224 WeakPolarHBondContact CE1-OD2 3.09Å; Y189-D224 VanDerWaalsContact CZ-OD2 3.25Å; Y189-D224 PolarHBondContact OH-OD2 3.37Å; M213-D224 HydrophobicContact CE-CB 3.77Å; H215-D224 WeakPolarHBondContact CA-OD1 3.18Å; H215-D224 WeakPolarHBondContact CB-OD1 3.28Å; H215-D224 IonicContact CE1-OD1 2.74Å; H215-D224 IonicContact CG-OD1 3.46Å; H215-D224 IonicContact ND1-OD1 3.39Å; H215-D224 PolarHBondContact ND1-OD1 2.86Å; H215-D224 IonicContact ND1-OD2 2.65Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.49Å; Q221-D224 WeakPolarHBondContact O-CB 3.44Å; Q221-D224 PolarHBondContact O-N 2.91Å; D224-L226 PolarHBondContact O-N 3.48Å
225I97.5Very high97.3Very high20 Ų2055.8 Ų55.810%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-87.4120.4-176.7-60.9119.1000109.8M213 Y214 C227 V275M213-I225 CarbonylContact C-O 3.6Å; M213-I225 WeakPolarHBondContact CA-O 3.36Å; Y214-I225 HydrophobicContact CD1-CD1 3.92Å; Y214-I225 PolarHBondContact N-O 2.85Å; Y214-I225 PolarHBondContact O-N 2.87Å; I225-C227 PolarHBondContact O-N 3.15Å; I225-C227 VanDerWaalsContact O-N 3.16Å; I225-C227 PolarHBondContact O-SG 2.92Å; I225-V275 HydrophobicContact CB-CG1 4.37Å; I225-V275 WeakPolarHBondContact CD1-O 3.21Å; I225-V275 HydrophobicContact CG2-CG1 3.94Å
226L97.5Very high97.2Very high44 Ų4457 Ų5723%0.2332%0.317CS..EExtended strand (participates in β ladder)trans-64.5111.6167.1177.861.5000110.6K211 M213 D224 E229 K278K211-L226 HydrophobicContact CB-CD1 3.95Å; K211-L226 HydrophobicContact CD-CD1 3.97Å; K211-L226 HydrophobicContact CG-CD1 4.13Å; M213-L226 HydrophobicContact CE-CB 4.38Å; M213-L226 HydrophobicContact SD-CB 4.15Å; M213-L226 HydrophobicContact SD-CD1 3.7Å; D224-L226 PolarHBondContact O-N 3.48Å; L226-E229 HydrophobicContact CD1-CB 4.26Å; L226-E229 HydrophobicContact CD1-CG 4.48Å; L226-E229 HydrophobicContact CD2-CG 4.21Å; L226-K278 HydrophobicContact CG-CG 4.45Å; L226-K278 WeakPolarHBondContact O-CA 3.44Å; L226-K278 WeakPolarHBondContact O-CG 3.36Å; L226-K278 PolarHBondContact O-N 3.47Å
227C97.3Very high97.2Very high1 Ų153.5 Ų53.51%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-93.7-42.1-177.1-64.70000112.4L212 Y214 I225 V275 K278 L279L212-C227 HydrophobicContact CB-CB 4.43Å; L212-C227 HydrophobicContact CD2-CB 4.2Å; L212-C227 HydrophobicContact CG-CB 4.1Å; L212-C227 WeakPolarHBondContact O-CA 3.38Å; L212-C227 WeakPolarHBondContact O-CB 3.13Å; L212-C227 PolarHBondContact O-N 3.45Å; Y214-C227 WeakPolarHBondContact CB-SG 3.33Å; I225-C227 PolarHBondContact O-N 3.15Å; I225-C227 VanDerWaalsContact O-N 3.16Å; I225-C227 PolarHBondContact O-SG 2.92Å; C227-V275 VanDerWaalsContact SG-CG1 3.58Å; C227-K278 WeakPolarHBondContact O-CA 3.39Å; C227-L279 HydrophobicContact CB-CD1 3.94Å; C227-L279 HydrophobicContact CB-CG 4.02Å; C227-L279 PolarHBondContact O-N 2.97Å
228L97.1Very high97.2Very high24 Ų2451.9 Ų51.913%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-150.9142.5176.5-177.466.5000111.2L212 I238 V251 L253 L281L212-L228 HydrophobicContact CB-CB 4.01Å; L212-L228 HydrophobicContact CD2-CB 4.42Å; L212-L228 PolarHBondContact N-O 2.94Å; L212-L228 PolarHBondContact O-N 3.29Å; L212-L228 VanDerWaalsContact O-N 3.15Å; L228-I238 HydrophobicContact CB-CD1 4.41Å; L228-I238 HydrophobicContact CD2-CD1 3.98Å; L228-I238 HydrophobicContact CD2-CG1 4.34Å; L228-I238 HydrophobicContact CD2-CG2 4.02Å; L228-I238 HydrophobicContact CG-CD1 4.04Å; L228-V251 HydrophobicContact CD2-CG1 3.8Å; L228-L253 HydrophobicContact CD2-CD2 3.87Å; L228-L281 HydrophobicContact CD1-CD1 3.95Å; L228-L281 HydrophobicContact CD2-CD1 3.81Å; L228-L281 HydrophobicContact CG-CD1 4.39Å
229E96.8Very high97.2Very high54 Ų5451 Ų5125%0.25228%0.275SS..  trans-145.6154.5164.759.5-177.5-179.700109.1K211 L226 K278K211-E229 WeakPolarHBondContact CE-OE2 3.36Å; K211-E229 HydrophobicContact CG-CB 4.22Å; K211-E229 IonicContact NZ-OE2 3.07Å; L226-E229 HydrophobicContact CD1-CB 4.26Å; L226-E229 HydrophobicContact CD1-CG 4.48Å; L226-E229 HydrophobicContact CD2-CG 4.21Å; E229-K278 WeakPolarHBondContact OE1-CE 3.47Å; E229-K278 IonicContact OE1-NZ 3.37Å; E229-K278 PolarHBondContact OE1-NZ 3.12Å
230R96Very high97.2Very high77 Ų7748.7 Ų48.729%0.29126%0.262SS..  trans-130.867.8179.8-64-69.1-69.71505.5110.5D232 Q233R230-D232 IonicContact CZ-OD1 3.12Å; R230-D232 IonicContact CZ-OD2 3.63Å; R230-D232 IonicContact NE-OD1 3.13Å; R230-D232 IonicContact NH1-OD1 2.98Å; R230-D232 PolarHBondContact NH1-OD1 2.95Å; R230-D232 VanDerWaalsContact NH1-OD1 3.16Å; R230-D232 IonicContact NH1-OD2 3.7Å; R230-D232 PolarHBondContact NH1-OD2 3.21Å; R230-D232 IonicContact NH2-OD1 2.62Å; R230-D232 IonicContact NH2-OD2 2.74Å; R230-D232 PolarHBondContact NH2-OD2 3.46Å; R230-D232 PolarHBondContact O-N 3.49Å; R230-D232 VanDerWaalsContact O-N 3.13Å; R230-Q233 HydrophobicContact CB-CB 4.25Å; R230-Q233 CarbonylContact O-C 3.47Å; R230-Q233 WeakPolarHBondContact O-CA 3.3Å; R230-Q233 PolarHBondContact O-N 2.98Å
231P95.8Very high97.2Very high84 Ų8447.1 Ų47.155%0.54525%0.251SS..THydrogen-bonded Turntrans-63.4-18179.527.7-36000112.9Q233P231-Q233 VanDerWaalsContact C-N 3.26Å
232D97Very high97.1Very high87 Ų8745.9 Ų45.947%0.46525%0.247SC..THydrogen-bonded Turntrans-75.5-14.7170.863.7-55.2000113.3R230R230-D232 IonicContact CZ-OD1 3.12Å; R230-D232 IonicContact CZ-OD2 3.63Å; R230-D232 IonicContact NE-OD1 3.13Å; R230-D232 IonicContact NH1-OD1 2.98Å; R230-D232 PolarHBondContact NH1-OD1 2.95Å; R230-D232 VanDerWaalsContact NH1-OD1 3.16Å; R230-D232 IonicContact NH1-OD2 3.7Å; R230-D232 PolarHBondContact NH1-OD2 3.21Å; R230-D232 IonicContact NH2-OD1 2.62Å; R230-D232 IonicContact NH2-OD2 2.74Å; R230-D232 PolarHBondContact NH2-OD2 3.46Å; R230-D232 PolarHBondContact O-N 3.49Å; R230-D232 VanDerWaalsContact O-N 3.13Å
233Q96.4Very high97.2Very high69 Ų6941.3 Ų41.332%0.32222%0.215SC..SBendtrans-137.668.3179.1-60.8-64.3-20.700110.2R230 P231 T235 W236R230-Q233 HydrophobicContact CB-CB 4.25Å; R230-Q233 CarbonylContact O-C 3.47Å; R230-Q233 WeakPolarHBondContact O-CA 3.3Å; R230-Q233 PolarHBondContact O-N 2.98Å; P231-Q233 VanDerWaalsContact C-N 3.26Å; Q233-T235 PolarHBondContact O-N 3.24Å; Q233-W236 HydrophobicContact CB-CB 4.26Å; Q233-W236 HydrophobicContact CB-CD2 3.41Å; Q233-W236 VanDerWaalsContact CB-CD2 3.41Å; Q233-W236 HydrophobicContact CB-CE3 3.83Å; Q233-W236 HydrophobicContact CB-CG 3.62Å; Q233-W236 HydrophobicContact CB-CZ2 4.16Å; Q233-W236 HydrophobicContact CB-CZ3 4.38Å; Q233-W236 HydrophobicContact CG-CD2 3.78Å; Q233-W236 HydrophobicContact CG-CE3 3.98Å; Q233-W236 HydrophobicContact CG-CG 4.46Å; Q233-W236 HydrophobicContact CG-CH2 3.82Å; Q233-W236 HydrophobicContact CG-CZ2 3.58Å; Q233-W236 HydrophobicContact CG-CZ3 4.02Å; Q233-W236 PolarHBondContact O-N 3.29Å
234P96.8Very high97.1Very high50 Ų5040 Ų4033%0.32521%0.208SC..THydrogen-bonded Turntrans-63.9-17.4-167.825.5-36000114.4T208 D209T208-P234 CarbonylContact C-O 3.37Å; T208-P234 VanDerWaalsContact CA-O 3.24Å; T208-P234 WeakPolarHBondContact CA-O 3.27Å; T208-P234 VanDerWaalsContact CB-O 3.32Å; T208-P234 WeakPolarHBondContact CB-O 3.16Å; T208-P234 HydrophobicContact CG2-CB 4.46Å; D209-P234 PolarHBondContact N-O 3.1Å
235T96.4Very high97Very high44 Ų4441.2 Ų41.227%0.2722%0.217SC..THydrogen-bonded Turntrans-94-7179.453.70000113.8Q233 H595Q233-T235 PolarHBondContact O-N 3.24Å; T235-H595 PolarHBondContact O-CE1 3.21Å
236W96.9Very high96.9Very high25 Ų2540.6 Ų40.610%0.09522%0.215CC..  trans-72.4139.1179.8-71.26.4000110.9Q233 L253 Y254 F288Q233-W236 HydrophobicContact CB-CB 4.26Å; Q233-W236 HydrophobicContact CB-CD2 3.41Å; Q233-W236 VanDerWaalsContact CB-CD2 3.41Å; Q233-W236 HydrophobicContact CB-CE3 3.83Å; Q233-W236 HydrophobicContact CB-CG 3.62Å; Q233-W236 HydrophobicContact CB-CZ2 4.16Å; Q233-W236 HydrophobicContact CB-CZ3 4.38Å; Q233-W236 HydrophobicContact CG-CD2 3.78Å; Q233-W236 HydrophobicContact CG-CE3 3.98Å; Q233-W236 HydrophobicContact CG-CG 4.46Å; Q233-W236 HydrophobicContact CG-CH2 3.82Å; Q233-W236 HydrophobicContact CG-CZ2 3.58Å; Q233-W236 HydrophobicContact CG-CZ3 4.02Å; Q233-W236 PolarHBondContact O-N 3.29Å; W236-L253 HydrophobicContact CE3-CB 4.43Å; W236-L253 HydrophobicContact CE3-CD1 4Å; W236-L253 HydrophobicContact CZ3-CD1 3.99Å; W236-Y254 VanDerWaalsContact CA-O 3.28Å; W236-Y254 WeakPolarHBondContact CA-O 3.33Å; W236-F288 HydrophobicContact CD2-CE2 4.4Å; W236-F288 HydrophobicContact CD2-CZ 4.22Å; W236-F288 AromaticContact CE2-CE2 3.82Å; W236-F288 HydrophobicContact CE3-CZ 4.42Å; W236-F288 AromaticContact CH2-CE2 3.82Å; W236-F288 HydrophobicContact CH2-CE2 3.82Å; W236-F288 HydrophobicContact CH2-CZ 4.37Å; W236-F288 AromaticContact CZ2-CE2 3.54Å; W236-F288 HydrophobicContact CZ2-CE2 3.54Å; W236-F288 HydrophobicContact CZ2-CZ 4.18Å; W236-F288 HydrophobicContact CZ3-CE2 4.35Å; W236-F288 HydrophobicContact CZ3-CZ 4.48Å
237N97.1Very high96.8Very high17 Ų1742.4 Ų42.49%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-99.6145.5172.2-60.8-60.5000110Y192 L253 Y254Y192-N237 PolarHBondContact OH-OD1 3.39Å; N237-L253 CarbonylContact O-C 3.54Å; N237-L253 WeakPolarHBondContact O-CA 3.36Å; N237-Y254 PolarHBondContact N-O 3.48Å; N237-Y254 PolarHBondContact O-N 2.99Å
238I97.9Very high96.8Very high2 Ų242.9 Ų42.91%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-114.2140.9-178-51.9168.7000108C190 Q210 L212 L228 V251 T252 L253C190-I238 PolarHBondContact SG-O 2.89Å; Q210-I238 WeakPolarHBondContact O-CD1 3.13Å; Q210-I238 PolarHBondContact OE1-O 3.47Å; L212-I238 HydrophobicContact CB-CG2 3.89Å; L212-I238 HydrophobicContact CD2-CG2 4.28Å; L212-I238 HydrophobicContact CG-CG2 4.48Å; L228-I238 HydrophobicContact CB-CD1 4.41Å; L228-I238 HydrophobicContact CD2-CD1 3.98Å; L228-I238 HydrophobicContact CD2-CG1 4.34Å; L228-I238 HydrophobicContact CD2-CG2 4.02Å; L228-I238 HydrophobicContact CG-CD1 4.04Å; I238-V251 HydrophobicContact CG2-CG1 3.83Å; I238-T252 CarbonylContact C-O 3.55Å; I238-L253 HydrophobicContact CB-CD2 4.25Å; I238-L253 HydrophobicContact CG1-CD2 3.82Å; I238-L253 HydrophobicContact CG2-CD2 4.02Å
239Q97.8Very high96.8Very high44 Ų4441.7 Ų41.721%0.20622%0.215CC..EExtended strand (participates in β ladder)trans-129.3143.6165.3-62.4-61.2-29.900109.3F175 S177 V251 T252 Y254F175-Q239 PolarHBondContact O-NE2 3.04Å; S177-Q239 PolarHBondContact OG-OE1 2.93Å; Q239-V251 WeakPolarHBondContact O-CA 3.24Å; Q239-T252 PolarHBondContact N-O 3.23Å; Q239-T252 PolarHBondContact O-N 3.06Å; Q239-Y254 HydrophobicContact CB-CE2 4.2Å; Q239-Y254 HydrophobicContact CG-CD2 4.21Å; Q239-Y254 HydrophobicContact CG-CE2 3.61Å
240G97.7Very high96.9Very high1 Ų139.2 Ų39.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-118.8134.7173.500000110.9S177 S179 L250S177-G240 PolarHBondContact OG-N 3.37Å; S177-G240 PolarHBondContact OG-O 3.46Å; S179-G240 WeakPolarHBondContact CB-O 3.43Å; G240-L250 WeakPolarHBondContact CA-O 3.13Å
241E98Very high97Very high85 Ų8535.5 Ų35.540%0.39719%0.189SC..EExtended strand (participates in β ladder)trans-141.5119.7177.3-175173.5-164.600110.9S179 L250 Y294S179-E241 WeakPolarHBondContact OG-CA 3.48Å; E241-L250 PolarHBondContact N-O 3.34Å; E241-L250 WeakPolarHBondContact O-CB 3.34Å; E241-L250 PolarHBondContact O-N 3.02Å; E241-Y294 HydrophobicContact CG-CD1 4.36Å
242V97.8Very high97.1Very high18 Ų1832.1 Ų32.111%0.10917%0.167CC..EExtended strand (participates in β ladder)trans-79.4126174.5177.60000109.1S179 W180 F188 Y248 L249 L268S179-V242 PolarHBondContact OG-N 3.28Å; W180-V242 WeakPolarHBondContact O-CB 3.3Å; W180-V242 WeakPolarHBondContact O-CG2 3.41Å; F188-V242 HydrophobicContact CD2-CG2 3.92Å; F188-V242 HydrophobicContact CE2-CG2 3.96Å; V242-Y248 CarbonylContact C-O 3.55Å; V242-Y248 WeakPolarHBondContact CA-O 3.49Å; V242-L249 HydrophobicContact CG2-CD1 3.87Å; V242-L268 HydrophobicContact CG1-CD1 4.46Å; V242-L268 HydrophobicContact CG2-CD1 4.34Å
243S97.9Very high97.2Very high4 Ų428.2 Ų28.23%0.02815%0.146CC..  trans-56.1157.9176.659.70000113.3C245 G246 Y248 N297S243-C245 PolarHBondContact O-N 3.19Å; S243-C245 VanDerWaalsContact O-N 3.12Å; S243-C245 PolarHBondContact OG-SG 3.39Å; S243-C245 VanDerWaalsContact OG-SG 3.36Å; S243-G246 WeakPolarHBondContact O-CA 3.31Å; S243-G246 PolarHBondContact O-N 2.84Å; S243-Y248 PolarHBondContact N-O 2.96Å; S243-Y248 PolarHBondContact OG-N 2.94Å; S243-Y248 PolarHBondContact OG-O 2.82Å; S243-Y248 VanDerWaalsContact OG-O 3.06Å; S243-N297 WeakPolarHBondContact CB-OD1 3.32Å
244D95.6Very high97.3Very high73 Ų7328.8 Ų28.839%0.3915%0.146SC..THydrogen-bonded Turntrans-57.4-35.7-174.6-62.50.6000112G246 Y294 T296 K391D244-G246 VanDerWaalsContact C-N 3.25Å; D244-G246 PolarHBondContact O-N 3.13Å; D244-Y294 PolarHBondContact N-OH 2.99Å; D244-Y294 PolarHBondContact OD1-OH 2.87Å; D244-T296 WeakPolarHBondContact OD2-CB 3.37Å; D244-T296 PolarHBondContact OD2-OG1 3.21Å; D244-K391 HydrophobicContact CB-CD 4.37Å
245C95Very high97.2Very high43 Ų4330 Ų3029%0.29115%0.15SC..THydrogen-bonded Turntrans-73.8-15.2178.3700000113.8K182 S243 R247 N297K182-C245 WeakPolarHBondContact CD-O 3.44Å; K182-C245 PolarHBondContact NZ-O 3.16Å; S243-C245 PolarHBondContact O-N 3.19Å; S243-C245 VanDerWaalsContact O-N 3.12Å; S243-C245 PolarHBondContact OG-SG 3.39Å; S243-C245 VanDerWaalsContact OG-SG 3.36Å; C245-R247 VanDerWaalsContact C-N 3.32Å; C245-N297 PolarHBondContact SG-ND2 3.17Å
246G95.4Very high97.2Very high6 Ų628.5 Ų28.56%0.06214%0.143CC..SBendtrans83.2-3.5-178.600000115.9S243 D244S243-G246 WeakPolarHBondContact O-CA 3.31Å; S243-G246 PolarHBondContact O-N 2.84Å; D244-G246 VanDerWaalsContact C-N 3.25Å; D244-G246 PolarHBondContact O-N 3.13Å
247R96Very high97.1Very high83 Ų8329.6 Ų29.631%0.31315%0.154SC..SBendtrans-82.9-36.8-173174.4173.1176.6178.9-5.3113.1C245 D267 L268 E269C245-R247 VanDerWaalsContact C-N 3.32Å; R247-D267 VanDerWaalsContact CG-OD1 3.28Å; R247-D267 WeakPolarHBondContact CG-OD1 3.26Å; R247-D267 IonicContact CZ-OD1 2.73Å; R247-D267 IonicContact CZ-OD2 3.66Å; R247-D267 IonicContact NE-OD1 3.87Å; R247-D267 PolarHBondContact NE-OD1 3.38Å; R247-D267 IonicContact NE-OD2 2.91Å; R247-D267 PolarHBondContact NE-OD2 3.36Å; R247-D267 IonicContact NH2-OD1 3.2Å; R247-D267 IonicContact NH2-OD2 3.56Å; R247-D267 PolarHBondContact NH2-OD2 2.89Å; R247-L268 WeakPolarHBondContact O-CA 3.4Å; R247-L268 WeakPolarHBondContact O-CB 3.38Å; R247-L268 PolarHBondContact O-N 3.48Å; R247-E269 HydrophobicContact CB-CG 4.42Å; R247-E269 VanDerWaalsContact CD-CD 3.43Å; R247-E269 VanDerWaalsContact CD-OE2 3.28Å; R247-E269 WeakPolarHBondContact CD-OE2 3.24Å; R247-E269 HydrophobicContact CG-CB 4.31Å; R247-E269 HydrophobicContact CG-CG 3.83Å; R247-E269 IonicContact CZ-OE2 2.74Å; R247-E269 IonicContact NE-OE2 2.69Å; R247-E269 PolarHBondContact NE-OE2 2.86Å; R247-E269 VanDerWaalsContact NE-OE2 3.16Å; R247-E269 IonicContact NH1-OE2 3.21Å
248Y97.3Very high97Very high10 Ų1030.6 Ų30.64%0.03916%0.158CC..EExtended strand (participates in β ladder)trans-110.6135.8-173.2-52.9-84000110.8V242 S243 Y265 C266 D267 G299 F302 L320V242-Y248 CarbonylContact C-O 3.55Å; V242-Y248 WeakPolarHBondContact CA-O 3.49Å; S243-Y248 PolarHBondContact N-O 2.96Å; S243-Y248 PolarHBondContact OG-N 2.94Å; S243-Y248 PolarHBondContact OG-O 2.82Å; S243-Y248 VanDerWaalsContact OG-O 3.06Å; Y248-Y265 AromaticContact CD1-CD2 3.88Å; Y248-Y265 HydrophobicContact CD1-CD2 3.88Å; Y248-Y265 HydrophobicContact CD1-CE2 4.25Å; Y248-Y265 HydrophobicContact CE1-CD2 4.43Å; Y248-Y265 HydrophobicContact CE1-CE2 4.36Å; Y248-C266 WeakPolarHBondContact CA-O 3.29Å; Y248-D267 HydrophobicContact CD1-CB 4.25Å; Y248-D267 HydrophobicContact CE1-CB 4.25Å; Y248-G299 WeakPolarHBondContact CE2-O 3.1Å; Y248-F302 AromaticContact CD2-CE2 3.95Å; Y248-F302 HydrophobicContact CD2-CE2 3.95Å; Y248-F302 AromaticContact CD2-CZ 3.41Å; Y248-F302 HydrophobicContact CD2-CZ 3.41Å; Y248-F302 VanDerWaalsContact CD2-CZ 3.41Å; Y248-F302 AromaticContact CE2-CE2 3.98Å; Y248-F302 HydrophobicContact CE2-CE2 3.98Å; Y248-F302 AromaticContact CE2-CZ 3.94Å; Y248-F302 HydrophobicContact CE2-CZ 3.94Å; Y248-F302 HydrophobicContact CG-CE2 4.37Å; Y248-F302 AromaticContact CG-CZ 3.71Å; Y248-F302 HydrophobicContact CG-CZ 3.71Å; Y248-L320 HydrophobicContact CD1-CD1 3.92Å; Y248-L320 HydrophobicContact CE1-CD1 3.75Å; Y248-L320 HydrophobicContact CG-CD1 4.42Å
249L97.8Very high96.8Very high0 Ų031.2 Ų31.20%016%0.162CC..EExtended strand (participates in β ladder)trans-94.5118160176.672.4000107.9F188 L212 V242 V251 Y265 C266 L268 L279F188-L249 HydrophobicContact CD1-CD1 4.49Å; F188-L249 HydrophobicContact CD1-CD2 3.96Å; F188-L249 HydrophobicContact CD2-CD1 3.67Å; F188-L249 HydrophobicContact CD2-CD2 4.37Å; F188-L249 HydrophobicContact CE1-CD2 3.65Å; F188-L249 HydrophobicContact CE2-CD1 3.85Å; F188-L249 HydrophobicContact CE2-CD2 4.07Å; F188-L249 HydrophobicContact CE2-CG 4.38Å; F188-L249 HydrophobicContact CG-CD1 4Å; F188-L249 HydrophobicContact CG-CD2 4.3Å; F188-L249 HydrophobicContact CZ-CD1 4.34Å; F188-L249 HydrophobicContact CZ-CD2 3.69Å; F188-L249 HydrophobicContact CZ-CG 4.44Å; L212-L249 HydrophobicContact CD2-CD2 4.37Å; V242-L249 HydrophobicContact CG2-CD1 3.87Å; L249-V251 HydrophobicContact CD2-CG2 3.81Å; L249-V251 HydrophobicContact CG-CG2 3.97Å; L249-Y265 CarbonylContact O-C 3.53Å; L249-Y265 WeakPolarHBondContact O-CA 3.47Å; L249-C266 HydrophobicContact CB-CB 4.4Å; L249-C266 PolarHBondContact N-O 3.32Å; L249-C266 PolarHBondContact O-N 2.98Å; L249-L268 HydrophobicContact CB-CD1 4.2Å; L249-L268 HydrophobicContact CB-CD2 4.03Å; L249-L268 HydrophobicContact CB-CG 4.18Å; L249-L279 HydrophobicContact CD2-CD1 3.32Å
250L98.4Very high96.8Very high1 Ų130.2 Ų30.21%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-83.6133.5166.7-59.1177.7000108.8G240 E241 L263 F264 I284 Y294 F302 F304G240-L250 WeakPolarHBondContact CA-O 3.13Å; E241-L250 PolarHBondContact N-O 3.34Å; E241-L250 WeakPolarHBondContact O-CB 3.34Å; E241-L250 PolarHBondContact O-N 3.02Å; L250-L263 HydrophobicContact CB-CD1 4.36Å; L250-F264 WeakPolarHBondContact CA-O 3.5Å; L250-I284 HydrophobicContact CD2-CD1 4.45Å; L250-Y294 HydrophobicContact CD1-CD1 4.13Å; L250-Y294 HydrophobicContact CD1-CD2 3.34Å; L250-Y294 HydrophobicContact CD1-CE2 4.01Å; L250-Y294 HydrophobicContact CD1-CG 3.4Å; L250-Y294 VanDerWaalsContact CD1-CG 3.4Å; L250-F302 HydrophobicContact CD1-CD1 4.25Å; L250-F302 HydrophobicContact CD1-CE1 4.09Å; L250-F302 HydrophobicContact CD2-CD1 4.3Å; L250-F302 HydrophobicContact CD2-CE1 3.88Å; L250-F302 HydrophobicContact CG-CE1 4.29Å; L250-F304 HydrophobicContact CD1-CE1 4.22Å
251V98.4Very high96.8Very high0 Ų030.2 Ų30.20%016%0.158CC..EExtended strand (participates in β ladder)trans-120.9118.3176.1-179.40000108.6L212 L228 I238 Q239 L249 L253 F264 L281L212-V251 HydrophobicContact CD2-CG1 4.49Å; L212-V251 HydrophobicContact CD2-CG2 4.09Å; L228-V251 HydrophobicContact CD2-CG1 3.8Å; I238-V251 HydrophobicContact CG2-CG1 3.83Å; Q239-V251 WeakPolarHBondContact O-CA 3.24Å; L249-V251 HydrophobicContact CD2-CG2 3.81Å; L249-V251 HydrophobicContact CG-CG2 3.97Å; V251-L253 HydrophobicContact CG1-CD2 4.15Å; V251-F264 HydrophobicContact CB-CB 4.43Å; V251-F264 PolarHBondContact N-O 2.99Å; V251-F264 PolarHBondContact O-N 3.11Å; V251-L281 HydrophobicContact CB-CD1 4.28Å; V251-L281 HydrophobicContact CB-CD2 4.38Å; V251-L281 HydrophobicContact CG1-CD1 4.21Å; V251-L281 HydrophobicContact CG2-CD1 4.38Å; V251-L281 HydrophobicContact CG2-CD2 3.83Å
252T98.4Very high96.8Very high13 Ų1327.1 Ų27.18%0.0814%0.144CC..EExtended strand (participates in β ladder)trans-109.4126.7-177.4-55.80000109.2I238 Q239 Y254 N261 Q262I238-T252 CarbonylContact C-O 3.55Å; Q239-T252 PolarHBondContact N-O 3.23Å; Q239-T252 PolarHBondContact O-N 3.06Å; T252-Y254 HydrophobicContact CG2-CD2 4.26Å; T252-Y254 HydrophobicContact CG2-CE1 4.16Å; T252-Y254 HydrophobicContact CG2-CE2 3.5Å; T252-Y254 VanDerWaalsContact CG2-CE2 3.5Å; T252-Y254 VanDerWaalsContact CG2-CZ 3.45Å; T252-Y254 WeakPolarHBondContact CG2-OH 3.5Å; T252-N261 HydrophobicContact CG2-CB 3.49Å; T252-N261 VanDerWaalsContact CG2-CB 3.49Å; T252-N261 VanDerWaalsContact CG2-ND2 3.34Å; T252-N261 WeakPolarHBondContact CG2-ND2 3.2Å; T252-Q262 WeakPolarHBondContact CA-O 3.32Å
253L98.1Very high96.9Very high5 Ų526.4 Ų26.43%0.02614%0.139CC..EExtended strand (participates in β ladder)trans-107.3139.3176.8-50.3-179.6000109.7L228 W236 N237 I238 V251 N261 Q262 F264 F288L228-L253 HydrophobicContact CD2-CD2 3.87Å; W236-L253 HydrophobicContact CE3-CB 4.43Å; W236-L253 HydrophobicContact CE3-CD1 4Å; W236-L253 HydrophobicContact CZ3-CD1 3.99Å; N237-L253 CarbonylContact O-C 3.54Å; N237-L253 WeakPolarHBondContact O-CA 3.36Å; I238-L253 HydrophobicContact CB-CD2 4.25Å; I238-L253 HydrophobicContact CG1-CD2 3.82Å; I238-L253 HydrophobicContact CG2-CD2 4.02Å; V251-L253 HydrophobicContact CG1-CD2 4.15Å; L253-N261 VanDerWaalsContact O-CA 3.28Å; L253-N261 WeakPolarHBondContact O-CA 3.18Å; L253-N261 VanDerWaalsContact O-CB 3.27Å; L253-N261 WeakPolarHBondContact O-CB 3.42Å; L253-Q262 HydrophobicContact CB-CB 4.18Å; L253-Q262 PolarHBondContact N-O 3.07Å; L253-Q262 VanDerWaalsContact N-O 3.1Å; L253-Q262 PolarHBondContact O-N 3.32Å; L253-F264 HydrophobicContact CD1-CD2 4.21Å; L253-F264 HydrophobicContact CD1-CE2 3.64Å; L253-F264 HydrophobicContact CD1-CZ 4.46Å; L253-F264 HydrophobicContact CG-CD2 4.34Å; L253-F264 HydrophobicContact CG-CE2 4.16Å; L253-F288 HydrophobicContact CB-CZ 4.47Å; L253-F288 VanDerWaalsContact O-CE1 3.24Å; L253-F288 WeakPolarHBondContact O-CE1 3.48Å
254Y97.8Very high96.9Very high80 Ų8027.6 Ų27.631%0.31414%0.144SC..EExtended strand (participates in β ladder)trans-122.8137.4179.1-62.1-87.1000110.7W236 N237 Q239 T252 N261W236-Y254 VanDerWaalsContact CA-O 3.28Å; W236-Y254 WeakPolarHBondContact CA-O 3.33Å; N237-Y254 PolarHBondContact N-O 3.48Å; N237-Y254 PolarHBondContact O-N 2.99Å; Q239-Y254 HydrophobicContact CB-CE2 4.2Å; Q239-Y254 HydrophobicContact CG-CD2 4.21Å; Q239-Y254 HydrophobicContact CG-CE2 3.61Å; T252-Y254 HydrophobicContact CG2-CD2 4.26Å; T252-Y254 HydrophobicContact CG2-CE1 4.16Å; T252-Y254 HydrophobicContact CG2-CE2 3.5Å; T252-Y254 VanDerWaalsContact CG2-CE2 3.5Å; T252-Y254 VanDerWaalsContact CG2-CZ 3.45Å; T252-Y254 WeakPolarHBondContact CG2-OH 3.5Å; Y254-N261 HydrophobicContact CD1-CB 3.98Å; Y254-N261 HydrophobicContact CE1-CB 3.82Å
255D96.1Very high97Very high76 Ų7625.3 Ų25.341%0.40613%0.13SC..SBendtrans-110.892.6168.1-170.910.8000109.2F288D255-F288 HydrophobicContact CB-CD1 4.36Å; D255-F288 HydrophobicContact CB-CD2 4.36Å; D255-F288 HydrophobicContact CB-CE1 3.95Å; D255-F288 HydrophobicContact CB-CE2 3.96Å; D255-F288 HydrophobicContact CB-CZ 3.74Å
256G95.1Very high97Very high12 Ų1223.6 Ų23.612%0.12412%0.118CC..THydrogen-bonded Turntrans71.5-143.6-174.700000114.5A596G256-A596 CarbonylContact C-O 3.57Å; G256-A596 VanDerWaalsContact CA-O 3.24Å; G256-A596 WeakPolarHBondContact CA-O 3.39Å
257C96.5Very high97Very high49 Ų4923.8 Ų23.833%0.33112%0.118SC..THydrogen-bonded Turntrans-110.711.7-175.5-58.50000114.2F478 A596 S599C257-F478 HydrophobicContact CB-CD1 3.8Å; C257-F478 HydrophobicContact CB-CE1 4.22Å; C257-A596 PolarHBondContact N-O 2.94Å; C257-S599 WeakPolarHBondContact CA-OG 3.21Å; C257-S599 WeakPolarHBondContact CB-OG 3.27Å; C257-S599 PolarHBondContact N-OG 3Å
258E94.3Very high96.9Very high37 Ų3719.9 Ų19.917%0.17310%0.103CC..SBendtrans-61.1138.7170.6176.579.5-131.700108.6N260 K514 R521 S599E258-N260 HydrophobicContact CG-CB 4.31Å; E258-N260 VanDerWaalsContact CG-ND2 3.26Å; E258-N260 WeakPolarHBondContact CG-ND2 3.44Å; E258-N260 WeakPolarHBondContact CG-OD1 3.24Å; E258-N260 PolarHBondContact O-N 3.17Å; E258-K514 IonicContact OE1-NZ 3.15Å; E258-K514 PolarHBondContact OE1-NZ 3.45Å; E258-R521 IonicContact OE1-CZ 3.2Å; E258-R521 IonicContact OE1-NH1 2.72Å; E258-R521 IonicContact OE1-NH2 3.78Å; E258-R521 PolarHBondContact OE1-NH2 3.22Å; E258-R521 IonicContact OE2-CZ 3Å; E258-R521 IonicContact OE2-NH1 3.21Å; E258-R521 PolarHBondContact OE2-NH1 3.12Å; E258-R521 IonicContact OE2-NH2 2.68Å; E258-R521 PolarHBondContact OE2-NH2 3.38Å; E258-S599 PolarHBondContact N-OG 2.88Å
259P94Very high96.6Very high15 Ų1524.5 Ų24.510%0.09713%0.125CC..SBendtrans-72.667.4173.431.3-37.5000110.7V291 N307P259-V291 HydrophobicContact CB-CG2 3.91Å; P259-V291 WeakPolarHBondContact O-CG2 3.27Å; P259-N307 PolarHBondContact O-ND2 3.35Å; P259-N307 VanDerWaalsContact O-ND2 3.1Å
260N97.3Very high96.1Very high23 Ų2331.6 Ų31.612%0.12316%0.156CC..  trans-151.8161.5167.662.719.4000111.4E258 F288 A290E258-N260 HydrophobicContact CG-CB 4.31Å; E258-N260 VanDerWaalsContact CG-ND2 3.26Å; E258-N260 WeakPolarHBondContact CG-ND2 3.44Å; E258-N260 WeakPolarHBondContact CG-OD1 3.24Å; E258-N260 PolarHBondContact O-N 3.17Å; N260-F288 PolarHBondContact ND2-O 3.38Å; N260-A290 VanDerWaalsContact CA-C 3.49Å; N260-A290 VanDerWaalsContact CA-O 3.24Å; N260-A290 WeakPolarHBondContact CA-O 3.38Å; N260-A290 WeakPolarHBondContact CB-O 3.39Å
261N98.5Very high95.4Very high2 Ų233.9 Ų33.91%0.01117%0.17CC..  trans-153.9158.3177.957.7-86.1000111.5T252 L253 Y254 A290 V291 Y292T252-N261 HydrophobicContact CG2-CB 3.49Å; T252-N261 VanDerWaalsContact CG2-CB 3.49Å; T252-N261 VanDerWaalsContact CG2-ND2 3.34Å; T252-N261 WeakPolarHBondContact CG2-ND2 3.2Å; L253-N261 VanDerWaalsContact O-CA 3.28Å; L253-N261 WeakPolarHBondContact O-CA 3.18Å; L253-N261 VanDerWaalsContact O-CB 3.27Å; L253-N261 WeakPolarHBondContact O-CB 3.42Å; Y254-N261 HydrophobicContact CD1-CB 3.98Å; Y254-N261 HydrophobicContact CE1-CB 3.82Å; N261-A290 PolarHBondContact N-O 3.17Å; N261-V291 VanDerWaalsContact OD1-CA 3.29Å; N261-V291 WeakPolarHBondContact OD1-CA 3.49Å; N261-Y292 PolarHBondContact ND2-O 2.89Å; N261-Y292 PolarHBondContact OD1-N 3.19Å
262Q98.2Very high94.5Very high20 Ų2040.5 Ų40.59%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-86.5155158.9-57.3-169.92.600109.3T252 L253 F264 V285 D286 F288T252-Q262 WeakPolarHBondContact CA-O 3.32Å; L253-Q262 HydrophobicContact CB-CB 4.18Å; L253-Q262 PolarHBondContact N-O 3.07Å; L253-Q262 VanDerWaalsContact N-O 3.1Å; L253-Q262 PolarHBondContact O-N 3.32Å; Q262-F264 HydrophobicContact CB-CD2 4.38Å; Q262-F264 HydrophobicContact CB-CE2 3.64Å; Q262-F264 HydrophobicContact CB-CZ 4.45Å; Q262-V285 WeakPolarHBondContact CA-O 3.39Å; Q262-V285 WeakPolarHBondContact CB-O 3.49Å; Q262-D286 PolarHBondContact NE2-O 3.36Å; Q262-F288 HydrophobicContact CG-CD1 4.2Å; Q262-F288 HydrophobicContact CG-CD2 4.09Å; Q262-F288 HydrophobicContact CG-CE1 3.98Å; Q262-F288 HydrophobicContact CG-CE2 3.86Å; Q262-F288 HydrophobicContact CG-CG 4.25Å; Q262-F288 HydrophobicContact CG-CZ 3.8Å; Q262-F288 VanDerWaalsContact NE2-CE2 3.35Å
263L98.4Very high93.5Very high2 Ų242.3 Ų42.31%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-137.5123-179.1-177.466.2000110.3L250 I284 V285 F304L250-L263 HydrophobicContact CB-CD1 4.36Å; L263-I284 HydrophobicContact CD2-CB 4.29Å; L263-I284 HydrophobicContact CD2-CD1 3.96Å; L263-I284 HydrophobicContact CD2-CG2 4.37Å; L263-I284 HydrophobicContact CG-CB 4.29Å; L263-I284 HydrophobicContact CG-CD1 4.11Å; L263-I284 WeakPolarHBondContact O-CA 3.45Å; L263-I284 WeakPolarHBondContact O-CB 3.46Å; L263-I284 PolarHBondContact O-N 3.32Å; L263-V285 PolarHBondContact N-O 3.42Å; L263-V285 PolarHBondContact O-N 3.45Å; L263-F304 HydrophobicContact CD2-CD1 4.08Å; L263-F304 HydrophobicContact CD2-CE1 3.46Å; L263-F304 VanDerWaalsContact CD2-CE1 3.46Å; L263-F304 HydrophobicContact CD2-CE2 4.26Å; L263-F304 HydrophobicContact CD2-CZ 3.57Å
264F97.9Very high92.7Very high30 Ų3044.6 Ų44.613%0.13223%0.228CC..EExtended strand (participates in β ladder)trans-124.4165.7176.1-59.2-100.5000109.6L250 V251 L253 Q262 L281 I282 P283L250-F264 WeakPolarHBondContact CA-O 3.5Å; V251-F264 HydrophobicContact CB-CB 4.43Å; V251-F264 PolarHBondContact N-O 2.99Å; V251-F264 PolarHBondContact O-N 3.11Å; L253-F264 HydrophobicContact CD1-CD2 4.21Å; L253-F264 HydrophobicContact CD1-CE2 3.64Å; L253-F264 HydrophobicContact CD1-CZ 4.46Å; L253-F264 HydrophobicContact CG-CD2 4.34Å; L253-F264 HydrophobicContact CG-CE2 4.16Å; Q262-F264 HydrophobicContact CB-CD2 4.38Å; Q262-F264 HydrophobicContact CB-CE2 3.64Å; Q262-F264 HydrophobicContact CB-CZ 4.45Å; F264-L281 HydrophobicContact CB-CB 4.07Å; F264-L281 HydrophobicContact CB-CD1 4.33Å; F264-L281 HydrophobicContact CD1-CB 4.2Å; F264-L281 HydrophobicContact CG-CB 4.41Å; F264-I282 CarbonylContact C-O 3.48Å; F264-I282 VanDerWaalsContact CA-O 3.29Å; F264-I282 WeakPolarHBondContact CA-O 3.45Å; F264-P283 HydrophobicContact CD1-CB 3.87Å; F264-P283 HydrophobicContact CE1-CB 3.74Å
265Y97.3Very high92.2Very high25 Ų2540.9 Ų40.910%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-138.3157.7169.576.7-79.9000112.6Y248 L249 I282 I284 L320Y248-Y265 AromaticContact CD1-CD2 3.88Å; Y248-Y265 HydrophobicContact CD1-CD2 3.88Å; Y248-Y265 HydrophobicContact CD1-CE2 4.25Å; Y248-Y265 HydrophobicContact CE1-CD2 4.43Å; Y248-Y265 HydrophobicContact CE1-CE2 4.36Å; L249-Y265 CarbonylContact O-C 3.53Å; L249-Y265 WeakPolarHBondContact O-CA 3.47Å; Y265-I282 HydrophobicContact CD1-CB 3.95Å; Y265-I282 HydrophobicContact CD1-CG2 4.3Å; Y265-I282 WeakPolarHBondContact CD1-O 3.3Å; Y265-I282 HydrophobicContact CE1-CB 3.51Å; Y265-I282 HydrophobicContact CE1-CD1 4.42Å; Y265-I282 HydrophobicContact CE1-CG2 3.47Å; Y265-I282 VanDerWaalsContact CE1-CG2 3.47Å; Y265-I282 HydrophobicContact CE2-CB 4.4Å; Y265-I282 HydrophobicContact CE2-CD1 3.99Å; Y265-I282 PolarHBondContact N-O 2.92Å; Y265-I282 PolarHBondContact O-N 3.38Å; Y265-I284 HydrophobicContact CD1-CD1 3.89Å; Y265-I284 HydrophobicContact CD1-CG1 3.61Å; Y265-I284 HydrophobicContact CE1-CG1 4.19Å; Y265-I284 HydrophobicContact CG-CD1 4.48Å; Y265-L320 HydrophobicContact CD1-CD1 4.38Å; Y265-L320 HydrophobicContact CD1-CD2 4.15Å; Y265-L320 HydrophobicContact CD2-CD1 3.85Å; Y265-L320 HydrophobicContact CE1-CD1 4.31Å; Y265-L320 HydrophobicContact CE1-CD2 4.06Å; Y265-L320 HydrophobicContact CE2-CD1 3.78Å; Y265-L320 HydrophobicContact CG-CD1 4.14Å
266C96Very high91.8Very high7 Ų744.7 Ų44.75%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-123132.3166-169.30000108.8Y248 L249 L268 L279 L281Y248-C266 WeakPolarHBondContact CA-O 3.29Å; L249-C266 HydrophobicContact CB-CB 4.4Å; L249-C266 PolarHBondContact N-O 3.32Å; L249-C266 PolarHBondContact O-N 2.98Å; C266-L268 PolarHBondContact O-N 2.98Å; C266-L279 HydrophobicContact CB-CD1 4.47Å; C266-L281 HydrophobicContact CB-CD2 4.09Å
267D95.1Very high91.6Very high9 Ų950.7 Ų50.75%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-84.199.3172.3-172-7.8000108.7R247 Y248 E269 K270R247-D267 VanDerWaalsContact CG-OD1 3.28Å; R247-D267 WeakPolarHBondContact CG-OD1 3.26Å; R247-D267 IonicContact CZ-OD1 2.73Å; R247-D267 IonicContact CZ-OD2 3.66Å; R247-D267 IonicContact NE-OD1 3.87Å; R247-D267 PolarHBondContact NE-OD1 3.38Å; R247-D267 IonicContact NE-OD2 2.91Å; R247-D267 PolarHBondContact NE-OD2 3.36Å; R247-D267 IonicContact NH2-OD1 3.2Å; R247-D267 IonicContact NH2-OD2 3.56Å; R247-D267 PolarHBondContact NH2-OD2 2.89Å; Y248-D267 HydrophobicContact CD1-CB 4.25Å; Y248-D267 HydrophobicContact CE1-CB 4.25Å; D267-E269 PolarHBondContact O-N 2.62Å; D267-E269 PolarHBondContact OD1-N 3.36Å; D267-K270 HydrophobicContact CB-CD 3.99Å; D267-K270 HydrophobicContact CB-CG 4.03Å; D267-K270 WeakPolarHBondContact O-CB 3.2Å; D267-K270 PolarHBondContact O-N 3.15Å; D267-K270 VanDerWaalsContact O-N 3.07Å; D267-K270 WeakPolarHBondContact OD2-CE 3.24Å
268L94.2Very high91.5Very high1 Ų153.2 Ų53.21%0.00526%0.255CS..G310 helixtrans-65.7-24.5-174.6-59.3174000112.2F188 V242 R247 L249 C266 K270 V271 D272 L273F188-L268 HydrophobicContact CE2-CD1 4.48Å; F188-L268 HydrophobicContact CZ-CD2 4.14Å; V242-L268 HydrophobicContact CG1-CD1 4.46Å; V242-L268 HydrophobicContact CG2-CD1 4.34Å; R247-L268 WeakPolarHBondContact O-CA 3.4Å; R247-L268 WeakPolarHBondContact O-CB 3.38Å; R247-L268 PolarHBondContact O-N 3.48Å; L249-L268 HydrophobicContact CB-CD1 4.2Å; L249-L268 HydrophobicContact CB-CD2 4.03Å; L249-L268 HydrophobicContact CB-CG 4.18Å; C266-L268 PolarHBondContact O-N 2.98Å; L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 3.03Å; L268-V271 WeakPolarHBondContact O-CG2 3.48Å; L268-V271 PolarHBondContact O-N 3.11Å; L268-D272 PolarHBondContact O-N 3.02Å; L268-L273 HydrophobicContact CB-CD2 3.61Å; L268-L273 PolarHBondContact O-N 2.8Å
269E90Very high91.4Very high107 Ų10752.4 Ų52.450%0.525%0.251SS..G310 helixtrans-65.1-30.5173.7-77.3178.4-177.400111.8R247 D267 V271 D272R247-E269 HydrophobicContact CB-CG 4.42Å; R247-E269 VanDerWaalsContact CD-CD 3.43Å; R247-E269 VanDerWaalsContact CD-OE2 3.28Å; R247-E269 WeakPolarHBondContact CD-OE2 3.24Å; R247-E269 HydrophobicContact CG-CB 4.31Å; R247-E269 HydrophobicContact CG-CG 3.83Å; R247-E269 IonicContact CZ-OE2 2.74Å; R247-E269 IonicContact NE-OE2 2.69Å; R247-E269 PolarHBondContact NE-OE2 2.86Å; R247-E269 VanDerWaalsContact NE-OE2 3.16Å; R247-E269 IonicContact NH1-OE2 3.21Å; D267-E269 PolarHBondContact O-N 2.62Å; D267-E269 PolarHBondContact OD1-N 3.36Å; E269-V271 PolarHBondContact O-N 3.35Å; E269-D272 PolarHBondContact O-N 3.49Å
270K88.4Confident91.2Very high150 Ų15057.3 Ų57.365%0.65228%0.277SS*.G310 helixtrans-70.8-13.2177.3-65.4-176.2-176.6173.30113.7D267 L268D267-K270 HydrophobicContact CB-CD 3.99Å; D267-K270 HydrophobicContact CB-CG 4.03Å; D267-K270 WeakPolarHBondContact O-CB 3.2Å; D267-K270 PolarHBondContact O-N 3.15Å; D267-K270 VanDerWaalsContact O-N 3.07Å; D267-K270 WeakPolarHBondContact OD2-CE 3.24Å; L268-K270 VanDerWaalsContact C-N 3.26Å; L268-K270 PolarHBondContact O-N 3.03Å
271V82.9Confident91.1Very high49 Ų4958.2 Ų58.230%0.29728%0.281SS..G310 helixtrans-113.622.5175.2-62.70000111.7L268 E269 L273 V274L268-V271 WeakPolarHBondContact O-CG2 3.48Å; L268-V271 PolarHBondContact O-N 3.11Å; E269-V271 PolarHBondContact O-N 3.35Å; V271-L273 PolarHBondContact O-N 3.23Å; V271-L273 VanDerWaalsContact O-N 3.12Å; V271-V274 PolarHBondContact O-N 3.35Å
272D80.7Confident91Very high138 Ų13861 Ų6174%0.73830%0.296SS*.THydrogen-bonded Turntrans53.928.1-179.2-58.9-45.6000113.7L268 E269 V274L268-D272 PolarHBondContact O-N 3.02Å; E269-D272 PolarHBondContact O-N 3.49Å; D272-V274 HydrophobicContact CB-CG2 4.49Å; D272-V274 WeakPolarHBondContact O-CG2 3.25Å; D272-V274 PolarHBondContact O-N 3.15Å
273L77Confident90.9Very high51 Ų5163 Ų6327%0.26731%0.31SS..THydrogen-bonded Turntrans57.911.9-170.1-53.2173.9000114L268 V271L268-L273 HydrophobicContact CB-CD2 3.61Å; L268-L273 PolarHBondContact O-N 2.8Å; V271-L273 PolarHBondContact O-N 3.23Å; V271-L273 VanDerWaalsContact O-N 3.12Å
274V81.5Confident90.9Very high53 Ų5363.6 Ų63.632%0.32131%0.314SS..  trans-106.191179.1-164.30000110V271 D272 K276V271-V274 PolarHBondContact O-N 3.35Å; D272-V274 HydrophobicContact CB-CG2 4.49Å; D272-V274 WeakPolarHBondContact O-CG2 3.25Å; D272-V274 PolarHBondContact O-N 3.15Å; V274-K276 HydrophobicContact CG1-CD 4.21Å; V274-K276 HydrophobicContact CG1-CG 3.84Å; V274-K276 PolarHBondContact O-N 2.92Å
275V85.9Confident90.8Very high2 Ų262.3 Ų62.31%0.01231%0.308CS..  trans-64.4119.6170.5-176.60000109F188 Y214 R216 I225 C227 L279F188-V275 HydrophobicContact CE1-CG2 4.1Å; F188-V275 HydrophobicContact CZ-CG2 3.71Å; Y214-V275 HydrophobicContact CD1-CB 3.75Å; Y214-V275 HydrophobicContact CD1-CG1 4.19Å; Y214-V275 HydrophobicContact CD1-CG2 4.27Å; Y214-V275 HydrophobicContact CD2-CG2 4.45Å; Y214-V275 HydrophobicContact CE1-CB 4.16Å; Y214-V275 HydrophobicContact CE1-CG2 4.44Å; Y214-V275 HydrophobicContact CG-CB 4.03Å; Y214-V275 HydrophobicContact CG-CG1 4.15Å; Y214-V275 HydrophobicContact CG-CG2 4.25Å; R216-V275 PolarHBondContact NH2-O 3.36Å; I225-V275 HydrophobicContact CB-CG1 4.37Å; I225-V275 WeakPolarHBondContact CD1-O 3.21Å; I225-V275 HydrophobicContact CG2-CG1 3.94Å; C227-V275 VanDerWaalsContact SG-CG1 3.58Å; V275-L279 HydrophobicContact CG1-CD2 4.09Å; V275-L279 HydrophobicContact CG2-CD2 4.44Å
276K88.3Confident90.7Very high156 Ų15665.6 Ų65.668%0.67833%0.327SS*.  trans-129.1-12.4-178.6-65.8-178.7-174.1174.50114.2V274V274-K276 HydrophobicContact CG1-CD 4.21Å; V274-K276 HydrophobicContact CG1-CG 3.84Å; V274-K276 PolarHBondContact O-N 2.92Å
277K91.2Very high90.7Very high139 Ų13970.6 Ų70.660%0.60435%0.345SS*.SBendtrans-156.8178.4-174.958.5171.6-171.7168.80109
278K94.1Very high90.8Very high101 Ų10172.5 Ų72.544%0.43935%0.353SS..SBendtrans-48.4138.7169.3-68.5-175.7177.2-176.60111.1L226 C227 E229L226-K278 HydrophobicContact CG-CG 4.45Å; L226-K278 WeakPolarHBondContact O-CA 3.44Å; L226-K278 WeakPolarHBondContact O-CG 3.36Å; L226-K278 PolarHBondContact O-N 3.47Å; C227-K278 WeakPolarHBondContact O-CA 3.39Å; E229-K278 WeakPolarHBondContact OE1-CE 3.47Å; E229-K278 IonicContact OE1-NZ 3.37Å; E229-K278 PolarHBondContact OE1-NZ 3.12Å
279L92.9Very high91Very high20 Ų2075.7 Ų75.711%0.10537%0.368CS..  trans-80.7139.9-175.1-60.3175.5000110.8F188 C227 L249 C266 V275 L281F188-L279 HydrophobicContact CE1-CD1 4.12Å; C227-L279 HydrophobicContact CB-CD1 3.94Å; C227-L279 HydrophobicContact CB-CG 4.02Å; C227-L279 PolarHBondContact O-N 2.97Å; L249-L279 HydrophobicContact CD2-CD1 3.32Å; C266-L279 HydrophobicContact CB-CD1 4.47Å; V275-L279 HydrophobicContact CG1-CD2 4.09Å; V275-L279 HydrophobicContact CG2-CD2 4.44Å; L279-L281 HydrophobicContact CB-CD2 3.93Å; L279-L281 HydrophobicContact CB-CG 4.41Å; L279-L281 HydrophobicContact CD1-CD2 4.49Å; L279-L281 PolarHBondContact O-N 3.35Å
280D90.4Very high91.3Very high118 Ų11870.6 Ų70.663%0.63135%0.345SS*.  trans-81.396.4169.5-64.4-46.3000108.1
281L95.1Very high91.8Very high42 Ų4264.2 Ų64.222%0.2232%0.318CS..PPolyproline II helixtrans-85.1131.2-176.3-63.2-175.7000111.8L228 V251 F264 C266 L279L228-L281 HydrophobicContact CD1-CD1 3.95Å; L228-L281 HydrophobicContact CD2-CD1 3.81Å; L228-L281 HydrophobicContact CG-CD1 4.39Å; V251-L281 HydrophobicContact CB-CD1 4.28Å; V251-L281 HydrophobicContact CB-CD2 4.38Å; V251-L281 HydrophobicContact CG1-CD1 4.21Å; V251-L281 HydrophobicContact CG2-CD1 4.38Å; V251-L281 HydrophobicContact CG2-CD2 3.83Å; F264-L281 HydrophobicContact CB-CB 4.07Å; F264-L281 HydrophobicContact CB-CD1 4.33Å; F264-L281 HydrophobicContact CD1-CB 4.2Å; F264-L281 HydrophobicContact CG-CB 4.41Å; C266-L281 HydrophobicContact CB-CD2 4.09Å; L279-L281 HydrophobicContact CB-CD2 3.93Å; L279-L281 HydrophobicContact CB-CG 4.41Å; L279-L281 HydrophobicContact CD1-CD2 4.49Å; L279-L281 PolarHBondContact O-N 3.35Å
282I95.6Very high92.5Very high62 Ų6262 Ų6232%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-102.2125.5175.8-55.3174.2000108.2F264 Y265F264-I282 CarbonylContact C-O 3.48Å; F264-I282 VanDerWaalsContact CA-O 3.29Å; F264-I282 WeakPolarHBondContact CA-O 3.45Å; Y265-I282 HydrophobicContact CD1-CB 3.95Å; Y265-I282 HydrophobicContact CD1-CG2 4.3Å; Y265-I282 WeakPolarHBondContact CD1-O 3.3Å; Y265-I282 HydrophobicContact CE1-CB 3.51Å; Y265-I282 HydrophobicContact CE1-CD1 4.42Å; Y265-I282 HydrophobicContact CE1-CG2 3.47Å; Y265-I282 VanDerWaalsContact CE1-CG2 3.47Å; Y265-I282 HydrophobicContact CE2-CB 4.4Å; Y265-I282 HydrophobicContact CE2-CD1 3.99Å; Y265-I282 PolarHBondContact N-O 2.92Å; Y265-I282 PolarHBondContact O-N 3.38Å
283P96.5Very high93.3Very high61 Ų6159.4 Ų59.440%0.39629%0.288SS..EExtended strand (participates in β ladder)trans-70.5134.7179.927.7-32.9000111.7F264 D286F264-P283 HydrophobicContact CD1-CB 3.87Å; F264-P283 HydrophobicContact CE1-CB 3.74Å; P283-D286 HydrophobicContact CB-CB 4.19Å
284I97.3Very high94.4Very high15 Ų1558 Ų588%0.07728%0.279CS..EExtended strand (participates in β ladder)trans-97-45.7159.4-52.9-178.3000108.3L250 L263 Y265 F304 I318 L320 W328L250-I284 HydrophobicContact CD2-CD1 4.45Å; L263-I284 HydrophobicContact CD2-CB 4.29Å; L263-I284 HydrophobicContact CD2-CD1 3.96Å; L263-I284 HydrophobicContact CD2-CG2 4.37Å; L263-I284 HydrophobicContact CG-CB 4.29Å; L263-I284 HydrophobicContact CG-CD1 4.11Å; L263-I284 WeakPolarHBondContact O-CA 3.45Å; L263-I284 WeakPolarHBondContact O-CB 3.46Å; L263-I284 PolarHBondContact O-N 3.32Å; Y265-I284 HydrophobicContact CD1-CD1 3.89Å; Y265-I284 HydrophobicContact CD1-CG1 3.61Å; Y265-I284 HydrophobicContact CE1-CG1 4.19Å; Y265-I284 HydrophobicContact CG-CD1 4.48Å; I284-F304 HydrophobicContact CD1-CZ 4.46Å; I284-I318 HydrophobicContact CG2-CD1 4.11Å; I284-I318 HydrophobicContact CG2-CG2 4.28Å; I284-L320 HydrophobicContact CD1-CD2 3.53Å; I284-L320 HydrophobicContact CG1-CD2 4.06Å; I284-W328 HydrophobicContact CG2-CZ2 4.35Å
285V97.1Very high95.2Very high2 Ų256.3 Ų56.31%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-140.2117.9174.2-169.80000109.6Q262 L263 R287 E289 Y292 W328Q262-V285 WeakPolarHBondContact CA-O 3.39Å; Q262-V285 WeakPolarHBondContact CB-O 3.49Å; L263-V285 PolarHBondContact N-O 3.42Å; L263-V285 PolarHBondContact O-N 3.45Å; V285-R287 HydrophobicContact CG1-CG 4.08Å; V285-R287 WeakPolarHBondContact CG1-O 3.49Å; V285-E289 HydrophobicContact CG1-CG 4.44Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.41Å; V285-Y292 HydrophobicContact CB-CD2 4.24Å; V285-Y292 HydrophobicContact CB-CE2 3.94Å; V285-Y292 HydrophobicContact CG1-CD2 4.37Å; V285-Y292 HydrophobicContact CG1-CE2 3.63Å; V285-Y292 HydrophobicContact CG2-CD1 4.44Å; V285-Y292 HydrophobicContact CG2-CD2 4Å; V285-Y292 HydrophobicContact CG2-CE1 4.21Å; V285-Y292 HydrophobicContact CG2-CE2 3.72Å; V285-Y292 HydrophobicContact CG2-CG 4.32Å; V285-W328 HydrophobicContact CG2-CH2 3.52Å; V285-W328 HydrophobicContact CG2-CZ2 4Å
286D95.6Very high95.8Very high95 Ų9556.2 Ų56.251%0.50827%0.268SS..  trans-103.720.6-174.963.4-11.1000113.4Q262 P283Q262-D286 PolarHBondContact NE2-O 3.36Å; P283-D286 HydrophobicContact CB-CB 4.19Å
287R96.1Very high96.2Very high112 Ų11248.9 Ų48.942%0.42324%0.236SC..SBendtrans-144.9149.4-179.260.7-175.2178.4-89.7-6.5112.5V285 E289V285-R287 HydrophobicContact CG1-CG 4.08Å; V285-R287 WeakPolarHBondContact CG1-O 3.49Å; R287-E289 VanDerWaalsContact C-N 3.34Å; R287-E289 HydrophobicContact CG-CB 4.22Å; R287-E289 HydrophobicContact CG-CG 4.18Å; R287-E289 IonicContact CZ-OE1 3.8Å; R287-E289 IonicContact CZ-OE2 2.77Å; R287-E289 VanDerWaalsContact CZ-OE2 3.28Å; R287-E289 IonicContact NE-OE1 2.75Å; R287-E289 PolarHBondContact NE-OE1 2.68Å; R287-E289 IonicContact NE-OE2 2.74Å; R287-E289 PolarHBondContact NE-OE2 3.43Å; R287-E289 IonicContact NH2-OE1 3.69Å; R287-E289 PolarHBondContact NH2-OE1 2.92Å; R287-E289 IonicContact NH2-OE2 3.83Å; R287-E289 PolarHBondContact NH2-OE2 2.9Å; R287-E289 PolarHBondContact O-N 3.11Å
288F97.1Very high96.5Very high49 Ų4947.2 Ų47.222%0.21523%0.231CC..SBendtrans-82.373.2177.5-67.6-76.9000111.3W236 L253 D255 N260 Q262W236-F288 HydrophobicContact CD2-CE2 4.4Å; W236-F288 HydrophobicContact CD2-CZ 4.22Å; W236-F288 AromaticContact CE2-CE2 3.82Å; W236-F288 HydrophobicContact CE3-CZ 4.42Å; W236-F288 AromaticContact CH2-CE2 3.82Å; W236-F288 HydrophobicContact CH2-CE2 3.82Å; W236-F288 HydrophobicContact CH2-CZ 4.37Å; W236-F288 AromaticContact CZ2-CE2 3.54Å; W236-F288 HydrophobicContact CZ2-CE2 3.54Å; W236-F288 HydrophobicContact CZ2-CZ 4.18Å; W236-F288 HydrophobicContact CZ3-CE2 4.35Å; W236-F288 HydrophobicContact CZ3-CZ 4.48Å; L253-F288 HydrophobicContact CB-CZ 4.47Å; L253-F288 VanDerWaalsContact O-CE1 3.24Å; L253-F288 WeakPolarHBondContact O-CE1 3.48Å; D255-F288 HydrophobicContact CB-CD1 4.36Å; D255-F288 HydrophobicContact CB-CD2 4.36Å; D255-F288 HydrophobicContact CB-CE1 3.95Å; D255-F288 HydrophobicContact CB-CE2 3.96Å; D255-F288 HydrophobicContact CB-CZ 3.74Å; N260-F288 PolarHBondContact ND2-O 3.38Å; Q262-F288 HydrophobicContact CG-CD1 4.2Å; Q262-F288 HydrophobicContact CG-CD2 4.09Å; Q262-F288 HydrophobicContact CG-CE1 3.98Å; Q262-F288 HydrophobicContact CG-CE2 3.86Å; Q262-F288 HydrophobicContact CG-CG 4.25Å; Q262-F288 HydrophobicContact CG-CZ 3.8Å; Q262-F288 VanDerWaalsContact NE2-CE2 3.35Å
289E96.5Very high96.4Very high67 Ų6744.6 Ų44.631%0.31323%0.233SC..SBendtrans-107.3-30.2-176.870.9-173.9158.500113.9V285 R287 Y292 L308 R325V285-E289 HydrophobicContact CG1-CG 4.44Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.41Å; R287-E289 VanDerWaalsContact C-N 3.34Å; R287-E289 HydrophobicContact CG-CB 4.22Å; R287-E289 HydrophobicContact CG-CG 4.18Å; R287-E289 IonicContact CZ-OE1 3.8Å; R287-E289 IonicContact CZ-OE2 2.77Å; R287-E289 VanDerWaalsContact CZ-OE2 3.28Å; R287-E289 IonicContact NE-OE1 2.75Å; R287-E289 PolarHBondContact NE-OE1 2.68Å; R287-E289 IonicContact NE-OE2 2.74Å; R287-E289 PolarHBondContact NE-OE2 3.43Å; R287-E289 IonicContact NH2-OE1 3.69Å; R287-E289 PolarHBondContact NH2-OE1 2.92Å; R287-E289 IonicContact NH2-OE2 3.83Å; R287-E289 PolarHBondContact NH2-OE2 2.9Å; R287-E289 PolarHBondContact O-N 3.11Å; E289-Y292 VanDerWaalsContact CD-OH 3.3Å; E289-Y292 HydrophobicContact CG-CE2 4.23Å; E289-Y292 VanDerWaalsContact CG-OH 3.31Å; E289-Y292 WeakPolarHBondContact CG-OH 3.22Å; E289-Y292 PolarHBondContact OE1-OH 3.4Å; E289-L308 HydrophobicContact CG-CD1 4.15Å; E289-R325 IonicContact OE1-CZ 3.45Å; E289-R325 IonicContact OE1-NH1 3.33Å; E289-R325 PolarHBondContact OE1-NH1 3.33Å; E289-R325 IonicContact OE1-NH2 2.8Å; E289-R325 PolarHBondContact OE1-NH2 3.4Å
290A98Very high96.5Very high1 Ų146.2 Ų46.21%0.00824%0.241CC..SBendtrans-159.8167.9-174.300000110.2N260 N261 Y292 N307 L308N260-A290 VanDerWaalsContact CA-C 3.49Å; N260-A290 VanDerWaalsContact CA-O 3.24Å; N260-A290 WeakPolarHBondContact CA-O 3.38Å; N260-A290 WeakPolarHBondContact CB-O 3.39Å; N261-A290 PolarHBondContact N-O 3.17Å; A290-Y292 HydrophobicContact CB-CE1 4.41Å; A290-Y292 HydrophobicContact CB-CE2 4.03Å; A290-Y292 WeakPolarHBondContact O-CD2 3.23Å; A290-Y292 WeakPolarHBondContact O-CE2 3.31Å; A290-N307 WeakPolarHBondContact CA-OD1 3.45Å; A290-N307 WeakPolarHBondContact CB-OD1 3.47Å; A290-L308 HydrophobicContact CB-CB 3.67Å; A290-L308 HydrophobicContact CB-CD1 4.05Å; A290-L308 HydrophobicContact CB-CG 4.49Å
291V98Very high96.8Very high16 Ų1641.5 Ų41.510%0.09722%0.217CC..  trans-72.3140.2166.21770000109.5P259 N261 E293 T306 N307 Y313P259-V291 HydrophobicContact CB-CG2 3.91Å; P259-V291 WeakPolarHBondContact O-CG2 3.27Å; N261-V291 VanDerWaalsContact OD1-CA 3.29Å; N261-V291 WeakPolarHBondContact OD1-CA 3.49Å; V291-E293 HydrophobicContact CG1-CB 4.01Å; V291-T306 WeakPolarHBondContact O-CA 3.48Å; V291-T306 WeakPolarHBondContact O-CB 3.26Å; V291-T306 PolarHBondContact O-OG1 3.09Å; V291-N307 PolarHBondContact N-OD1 3.19Å; V291-Y313 HydrophobicContact CB-CE1 3.82Å; V291-Y313 HydrophobicContact CG1-CE1 4.1Å; V291-Y313 HydrophobicContact CG2-CE1 3.9Å; V291-Y313 WeakPolarHBondContact CG2-OH 3.44Å
292Y98.3Very high97Very high1 Ų139.5 Ų39.50%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-133.691.5166.5-55.5-76.7000108.5N261 V285 E289 A290 R325 W328N261-Y292 PolarHBondContact ND2-O 2.89Å; N261-Y292 PolarHBondContact OD1-N 3.19Å; V285-Y292 HydrophobicContact CB-CD2 4.24Å; V285-Y292 HydrophobicContact CB-CE2 3.94Å; V285-Y292 HydrophobicContact CG1-CD2 4.37Å; V285-Y292 HydrophobicContact CG1-CE2 3.63Å; V285-Y292 HydrophobicContact CG2-CD1 4.44Å; V285-Y292 HydrophobicContact CG2-CD2 4Å; V285-Y292 HydrophobicContact CG2-CE1 4.21Å; V285-Y292 HydrophobicContact CG2-CE2 3.72Å; V285-Y292 HydrophobicContact CG2-CG 4.32Å; E289-Y292 VanDerWaalsContact CD-OH 3.3Å; E289-Y292 HydrophobicContact CG-CE2 4.23Å; E289-Y292 VanDerWaalsContact CG-OH 3.31Å; E289-Y292 WeakPolarHBondContact CG-OH 3.22Å; E289-Y292 PolarHBondContact OE1-OH 3.4Å; A290-Y292 HydrophobicContact CB-CE1 4.41Å; A290-Y292 HydrophobicContact CB-CE2 4.03Å; A290-Y292 WeakPolarHBondContact O-CD2 3.23Å; A290-Y292 WeakPolarHBondContact O-CE2 3.31Å; Y292-R325 PolarHBondContact OH-NH1 3.26Å; Y292-W328 HydrophobicContact CD1-CH2 4.43Å; Y292-W328 HydrophobicContact CD1-CZ3 4.39Å; Y292-W328 AromaticContact CE1-CH2 3.78Å; Y292-W328 HydrophobicContact CE1-CH2 3.78Å; Y292-W328 AromaticContact CE1-CZ3 3.57Å; Y292-W328 HydrophobicContact CE1-CZ3 3.57Å
293E98Very high97.1Very high85 Ų8536.9 Ų36.940%0.39719%0.194SC..EExtended strand (participates in β ladder)trans-100.9122.5-178.4179.7-176.8177.200109.1V291 F304 R305V291-E293 HydrophobicContact CG1-CB 4.01Å; E293-F304 CarbonylContact O-C 3.59Å; E293-F304 WeakPolarHBondContact O-CA 3.25Å; E293-R305 HydrophobicContact CB-CB 4.26Å; E293-R305 PolarHBondContact N-O 2.95Å; E293-R305 PolarHBondContact O-N 3.42Å; E293-R305 IonicContact OE2-CZ 2.89Å; E293-R305 IonicContact OE2-NH1 2.77Å; E293-R305 PolarHBondContact OE2-NH1 3.22Å
294Y98.4Very high97.2Very high21 Ų2134 Ų348%0.08218%0.175CC..EExtended strand (participates in β ladder)trans-67.5135.7-178.3171.9-108.6000111.2E241 D244 L250 T296 N297 F302 F304E241-Y294 HydrophobicContact CG-CD1 4.36Å; D244-Y294 PolarHBondContact N-OH 2.99Å; D244-Y294 PolarHBondContact OD1-OH 2.87Å; L250-Y294 HydrophobicContact CD1-CD1 4.13Å; L250-Y294 HydrophobicContact CD1-CD2 3.34Å; L250-Y294 HydrophobicContact CD1-CE2 4.01Å; L250-Y294 HydrophobicContact CD1-CG 3.4Å; L250-Y294 VanDerWaalsContact CD1-CG 3.4Å; Y294-T296 VanDerWaalsContact CE2-O 3.28Å; Y294-T296 WeakPolarHBondContact CE2-O 3.29Å; Y294-T296 VanDerWaalsContact CZ-CA 3.45Å; Y294-T296 WeakPolarHBondContact OH-CA 3.43Å; Y294-N297 HydrophobicContact CE2-CB 4.21Å; Y294-N297 PolarHBondContact OH-N 2.96Å; Y294-N297 PolarHBondContact OH-OD1 3.08Å; Y294-N297 VanDerWaalsContact OH-OD1 3.05Å; Y294-F302 AromaticContact CD2-CD1 3.89Å; Y294-F302 HydrophobicContact CD2-CD1 3.89Å; Y294-F302 HydrophobicContact CD2-CE1 4.37Å; Y294-F302 AromaticContact CE2-CD1 3.69Å; Y294-F302 HydrophobicContact CE2-CD1 3.69Å; Y294-F302 AromaticContact CE2-CE1 3.94Å; Y294-F302 HydrophobicContact CE2-CE1 3.94Å; Y294-F304 HydrophobicContact CD2-CE1 4.13Å
295V98.4Very high97.3Very high17 Ų1734.4 Ų34.410%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-113-50.7177177.30000111V303 R305 A343 L351V295-V303 HydrophobicContact CB-CB 4.4Å; V295-V303 HydrophobicContact CB-CG1 4.12Å; V295-V303 WeakPolarHBondContact CB-O 3.29Å; V295-V303 HydrophobicContact CG1-CG1 4.42Å; V295-V303 PolarHBondContact N-O 2.87Å; V295-R305 HydrophobicContact CG2-CB 4.3Å; V295-A343 HydrophobicContact CG1-CB 3.91Å; V295-A343 HydrophobicContact CG2-CB 4Å; V295-L351 HydrophobicContact CG1-CD2 3.8Å
296T98.6Very high97.4Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-171.2176.7177.9-170.50000110.2D244 Y294 V303 C345 L368 K391D244-T296 WeakPolarHBondContact OD2-CB 3.37Å; D244-T296 PolarHBondContact OD2-OG1 3.21Å; Y294-T296 VanDerWaalsContact CE2-O 3.28Å; Y294-T296 WeakPolarHBondContact CE2-O 3.29Å; Y294-T296 VanDerWaalsContact CZ-CA 3.45Å; Y294-T296 WeakPolarHBondContact OH-CA 3.43Å; T296-V303 HydrophobicContact CG2-CB 4.11Å; T296-V303 HydrophobicContact CG2-CG2 4.23Å; T296-V303 PolarHBondContact O-N 2.86Å; T296-C345 HydrophobicContact CG2-CB 3.8Å; T296-L368 HydrophobicContact CG2-CD1 3.54Å; T296-L368 HydrophobicContact CG2-CD2 4.12Å; T296-L368 HydrophobicContact CG2-CG 4.49Å; T296-K391 WeakPolarHBondContact OG1-CD 3.39Å
297N97.9Very high97.5Very high2 Ų230.2 Ų30.21%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-144.1150.6168.473-61.7000113.5S243 C245 Y294 G299 S301 F302 K391S243-N297 WeakPolarHBondContact CB-OD1 3.32Å; C245-N297 PolarHBondContact SG-ND2 3.17Å; Y294-N297 HydrophobicContact CE2-CB 4.21Å; Y294-N297 PolarHBondContact OH-N 2.96Å; Y294-N297 PolarHBondContact OH-OD1 3.08Å; Y294-N297 VanDerWaalsContact OH-OD1 3.05Å; N297-G299 PolarHBondContact ND2-O 3Å; N297-S301 CarbonylContact C-O 3.46Å; N297-S301 WeakPolarHBondContact CA-O 3.34Å; N297-S301 WeakPolarHBondContact CB-O 3.31Å; N297-F302 HydrophobicContact CB-CB 4.44Å; N297-F302 HydrophobicContact CB-CD1 3.72Å; N297-F302 HydrophobicContact CB-CD2 3.94Å; N297-F302 HydrophobicContact CB-CE1 3.8Å; N297-F302 HydrophobicContact CB-CE2 3.99Å; N297-F302 HydrophobicContact CB-CG 3.79Å; N297-F302 HydrophobicContact CB-CZ 3.93Å; N297-K391 PolarHBondContact O-NZ 3.25Å
298E95.7Very high97.6Very high105 Ų10526 Ų2649%0.49114%0.139SC..EExtended strand (participates in β ladder)trans-114101.8166.3-76.6-62.1154.200108.9D300 S301 L368 K391E298-D300 PolarHBondContact O-N 3.05Å; E298-S301 PolarHBondContact N-O 3.36Å; E298-S301 WeakPolarHBondContact O-CB 3.33Å; E298-S301 PolarHBondContact O-N 3.26Å; E298-L368 HydrophobicContact CG-CD2 4.17Å; E298-K391 VanDerWaalsContact CD-NZ 3.33Å; E298-K391 WeakPolarHBondContact OE1-CE 3.46Å; E298-K391 IonicContact OE1-NZ 2.91Å; E298-K391 PolarHBondContact OE1-NZ 2.87Å
299G93.9Very high97.5Very high46 Ų4630.9 Ų30.947%0.47417%0.167SC..THydrogen-bonded Turntrans60-120.5-173.300000111.5Y248 N297 S301Y248-G299 WeakPolarHBondContact CE2-O 3.1Å; N297-G299 PolarHBondContact ND2-O 3Å; G299-S301 VanDerWaalsContact C-N 3.33Å
300D94.7Very high97.6Very high53 Ų5327.8 Ų27.828%0.28315%0.153SC..THydrogen-bonded Turntrans-893.3176.678.6-33000113.4E298 F302 S319 L320 S321E298-D300 PolarHBondContact O-N 3.05Å; D300-F302 WeakPolarHBondContact O-CD2 3.02Å; D300-S319 CarbonylContact O-C 3.56Å; D300-S319 WeakPolarHBondContact O-CA 3.32Å; D300-S319 PolarHBondContact OD2-OG 2.96Å; D300-L320 HydrophobicContact CB-CB 4.33Å; D300-L320 PolarHBondContact O-N 3.18Å; D300-S321 WeakPolarHBondContact OD2-CB 3.1Å; D300-S321 PolarHBondContact OD2-N 3.43Å; D300-S321 PolarHBondContact OD2-OG 3Å
301S96.9Very high97.5Very high19 Ų1929.7 Ų29.713%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-100.3109.4-179-162.50000111.4N297 E298 G299 K317N297-S301 CarbonylContact C-O 3.46Å; N297-S301 WeakPolarHBondContact CA-O 3.34Å; N297-S301 WeakPolarHBondContact CB-O 3.31Å; E298-S301 PolarHBondContact N-O 3.36Å; E298-S301 WeakPolarHBondContact O-CB 3.33Å; E298-S301 PolarHBondContact O-N 3.26Å; G299-S301 VanDerWaalsContact C-N 3.33Å; S301-K317 WeakPolarHBondContact OG-CE 3.31Å; S301-K317 WeakPolarHBondContact OG-CG 3.27Å
302F98.4Very high97.5Very high0 Ų029.1 Ų29.10%016%0.162CC..EExtended strand (participates in β ladder)trans-101.9144.9-173.3-76.7-108.5000111.4Y248 L250 Y294 N297 D300 F304 K317 I318 L320Y248-F302 AromaticContact CD2-CE2 3.95Å; Y248-F302 HydrophobicContact CD2-CE2 3.95Å; Y248-F302 AromaticContact CD2-CZ 3.41Å; Y248-F302 HydrophobicContact CD2-CZ 3.41Å; Y248-F302 VanDerWaalsContact CD2-CZ 3.41Å; Y248-F302 AromaticContact CE2-CE2 3.98Å; Y248-F302 HydrophobicContact CE2-CE2 3.98Å; Y248-F302 AromaticContact CE2-CZ 3.94Å; Y248-F302 HydrophobicContact CE2-CZ 3.94Å; Y248-F302 HydrophobicContact CG-CE2 4.37Å; Y248-F302 AromaticContact CG-CZ 3.71Å; Y248-F302 HydrophobicContact CG-CZ 3.71Å; L250-F302 HydrophobicContact CD1-CD1 4.25Å; L250-F302 HydrophobicContact CD1-CE1 4.09Å; L250-F302 HydrophobicContact CD2-CD1 4.3Å; L250-F302 HydrophobicContact CD2-CE1 3.88Å; L250-F302 HydrophobicContact CG-CE1 4.29Å; Y294-F302 AromaticContact CD2-CD1 3.89Å; Y294-F302 HydrophobicContact CD2-CD1 3.89Å; Y294-F302 HydrophobicContact CD2-CE1 4.37Å; Y294-F302 AromaticContact CE2-CD1 3.69Å; Y294-F302 HydrophobicContact CE2-CD1 3.69Å; Y294-F302 AromaticContact CE2-CE1 3.94Å; Y294-F302 HydrophobicContact CE2-CE1 3.94Å; N297-F302 HydrophobicContact CB-CB 4.44Å; N297-F302 HydrophobicContact CB-CD1 3.72Å; N297-F302 HydrophobicContact CB-CD2 3.94Å; N297-F302 HydrophobicContact CB-CE1 3.8Å; N297-F302 HydrophobicContact CB-CE2 3.99Å; N297-F302 HydrophobicContact CB-CG 3.79Å; N297-F302 HydrophobicContact CB-CZ 3.93Å; D300-F302 WeakPolarHBondContact O-CD2 3.02Å; F302-F304 HydrophobicContact CB-CD2 4.1Å; F302-F304 HydrophobicContact CB-CE2 3.29Å; F302-F304 HydrophobicContact CB-CZ 3.66Å; F302-F304 HydrophobicContact CD1-CE2 4.41Å; F302-F304 AromaticContact CD1-CZ 3.89Å; F302-F304 HydrophobicContact CD1-CZ 3.89Å; F302-F304 HydrophobicContact CG-CE2 4.18Å; F302-F304 HydrophobicContact CG-CZ 4.1Å; F302-K317 CarbonylContact O-C 3.55Å; F302-K317 VanDerWaalsContact O-CA 3.25Å; F302-K317 WeakPolarHBondContact O-CA 3.37Å; F302-I318 PolarHBondContact N-O 3.01Å; F302-I318 PolarHBondContact O-N 3.11Å; F302-L320 HydrophobicContact CD2-CD1 3.86Å; F302-L320 HydrophobicContact CD2-CD2 4.13Å; F302-L320 HydrophobicContact CD2-CG 3.67Å; F302-L320 HydrophobicContact CE2-CD1 3.27Å; F302-L320 HydrophobicContact CE2-CD2 4.36Å; F302-L320 HydrophobicContact CE2-CG 3.63Å; F302-L320 HydrophobicContact CZ-CD1 3.86Å
303V98.7Very high97.5Very high7 Ų729.3 Ų29.34%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-112.3127.9176.7-179.40000108.9V295 T296 I315 I316 L331 L368V295-V303 HydrophobicContact CB-CB 4.4Å; V295-V303 HydrophobicContact CB-CG1 4.12Å; V295-V303 WeakPolarHBondContact CB-O 3.29Å; V295-V303 HydrophobicContact CG1-CG1 4.42Å; V295-V303 PolarHBondContact N-O 2.87Å; T296-V303 HydrophobicContact CG2-CB 4.11Å; T296-V303 HydrophobicContact CG2-CG2 4.23Å; T296-V303 PolarHBondContact O-N 2.86Å; V303-I315 HydrophobicContact CG1-CG2 3.25Å; V303-I316 WeakPolarHBondContact CA-O 3.34Å; V303-L331 HydrophobicContact CG1-CD2 3.99Å; V303-L331 HydrophobicContact CG2-CD2 4.24Å; V303-L368 HydrophobicContact CG2-CD1 3.87Å
304F98.7Very high97.5Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans-129143.4-178.6-62.1-81.9000111.8L250 L263 I284 E293 Y294 F302 I315 I316 I318L250-F304 HydrophobicContact CD1-CE1 4.22Å; L263-F304 HydrophobicContact CD2-CD1 4.08Å; L263-F304 HydrophobicContact CD2-CE1 3.46Å; L263-F304 VanDerWaalsContact CD2-CE1 3.46Å; L263-F304 HydrophobicContact CD2-CE2 4.26Å; L263-F304 HydrophobicContact CD2-CZ 3.57Å; I284-F304 HydrophobicContact CD1-CZ 4.46Å; E293-F304 CarbonylContact O-C 3.59Å; E293-F304 WeakPolarHBondContact O-CA 3.25Å; Y294-F304 HydrophobicContact CD2-CE1 4.13Å; F302-F304 HydrophobicContact CB-CD2 4.1Å; F302-F304 HydrophobicContact CB-CE2 3.29Å; F302-F304 HydrophobicContact CB-CZ 3.66Å; F302-F304 HydrophobicContact CD1-CE2 4.41Å; F302-F304 AromaticContact CD1-CZ 3.89Å; F302-F304 HydrophobicContact CD1-CZ 3.89Å; F302-F304 HydrophobicContact CG-CE2 4.18Å; F302-F304 HydrophobicContact CG-CZ 4.1Å; F304-I315 CarbonylContact O-C 3.47Å; F304-I315 WeakPolarHBondContact O-CA 3.32Å; F304-I316 HydrophobicContact CB-CG1 4.05Å; F304-I316 PolarHBondContact N-O 2.85Å; F304-I316 PolarHBondContact O-N 2.93Å; F304-I318 HydrophobicContact CD2-CB 4.44Å; F304-I318 HydrophobicContact CD2-CD1 3.71Å; F304-I318 HydrophobicContact CD2-CG1 4.11Å; F304-I318 HydrophobicContact CE2-CB 4.26Å; F304-I318 HydrophobicContact CE2-CD1 3.91Å; F304-I318 HydrophobicContact CE2-CG1 4.35Å
305R98.6Very high97.5Very high24 Ų2425.3 Ų25.39%0.09114%0.144CC..EExtended strand (participates in β ladder)trans-83.6131.9161.2171.1177.3174.5-101.42.5109E293 V295 Y313 K314 I315 L340 E341E293-R305 HydrophobicContact CB-CB 4.26Å; E293-R305 PolarHBondContact N-O 2.95Å; E293-R305 PolarHBondContact O-N 3.42Å; E293-R305 IonicContact OE2-CZ 2.89Å; E293-R305 IonicContact OE2-NH1 2.77Å; E293-R305 PolarHBondContact OE2-NH1 3.22Å; V295-R305 HydrophobicContact CG2-CB 4.3Å; R305-Y313 HydrophobicContact CG-CD1 3.77Å; R305-Y313 VanDerWaalsContact CZ-CD1 3.42Å; R305-K314 WeakPolarHBondContact CA-O 3.24Å; R305-I315 HydrophobicContact CB-CD1 3.78Å; R305-I315 HydrophobicContact CG-CD1 4.33Å; R305-L340 VanDerWaalsContact CD-CD2 3.49Å; R305-L340 HydrophobicContact CG-CD2 3.92Å; R305-L340 VanDerWaalsContact CZ-O 3.29Å; R305-L340 PolarHBondContact NE-O 3.25Å; R305-L340 PolarHBondContact NH2-O 3.07Å; R305-E341 PolarHBondContact NE-O 3.13Å; R305-E341 PolarHBondContact NH2-O 3.06Å
306T98.7Very high97.5Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-145.5152.2-177.5-172.60000112.9V291 L308 Y313 K314 I316V291-T306 WeakPolarHBondContact O-CA 3.48Å; V291-T306 WeakPolarHBondContact O-CB 3.26Å; V291-T306 PolarHBondContact O-OG1 3.09Å; T306-L308 HydrophobicContact CG2-CB 4.28Å; T306-L308 WeakPolarHBondContact OG1-CB 3.48Å; T306-L308 PolarHBondContact OG1-N 2.96Å; T306-L308 VanDerWaalsContact OG1-N 3.13Å; T306-Y313 VanDerWaalsContact C-CD1 3.49Å; T306-Y313 CarbonylContact O-C 3.51Å; T306-Y313 WeakPolarHBondContact O-CA 3.13Å; T306-K314 HydrophobicContact CG2-CD 4.46Å; T306-K314 HydrophobicContact CG2-CG 3.74Å; T306-K314 PolarHBondContact N-O 3.13Å; T306-K314 PolarHBondContact O-N 3.27Å; T306-I316 HydrophobicContact CG2-CB 4.38Å; T306-I316 HydrophobicContact CG2-CD1 3.85Å; T306-I316 HydrophobicContact CG2-CG1 3.82Å; T306-I316 HydrophobicContact CG2-CG2 3.71Å
307N97.9Very high97.5Very high10 Ų1026.7 Ų26.75%0.05315%0.149CC..  trans-103.710.5169.464.61.9000113.2P259 A290 V291 D309 A310 Y313P259-N307 PolarHBondContact O-ND2 3.35Å; P259-N307 VanDerWaalsContact O-ND2 3.1Å; A290-N307 WeakPolarHBondContact CA-OD1 3.45Å; A290-N307 WeakPolarHBondContact CB-OD1 3.47Å; V291-N307 PolarHBondContact N-OD1 3.19Å; N307-D309 PolarHBondContact O-N 2.94Å; N307-D309 VanDerWaalsContact O-N 3.15Å; N307-A310 CarbonylContact C-O 3.46Å; N307-A310 WeakPolarHBondContact CA-O 3.18Å; N307-A310 WeakPolarHBondContact CB-O 3.32Å; N307-A310 CarbonylContact O-C 3.57Å; N307-A310 PolarHBondContact O-N 2.88Å; N307-Y313 HydrophobicContact CB-CD1 3.85Å; N307-Y313 HydrophobicContact CB-CD2 4.06Å; N307-Y313 HydrophobicContact CB-CE1 3.74Å; N307-Y313 HydrophobicContact CB-CE2 3.93Å; N307-Y313 HydrophobicContact CB-CG 4.01Å
308L97.4Very high97.5Very high23 Ų2326.6 Ų26.612%0.1215%0.148CC..THydrogen-bonded Turntrans-58.5116.8176-178.775.9000110.3E289 A290 T306 A310 K314 W328E289-L308 HydrophobicContact CG-CD1 4.15Å; A290-L308 HydrophobicContact CB-CB 3.67Å; A290-L308 HydrophobicContact CB-CD1 4.05Å; A290-L308 HydrophobicContact CB-CG 4.49Å; T306-L308 HydrophobicContact CG2-CB 4.28Å; T306-L308 WeakPolarHBondContact OG1-CB 3.48Å; T306-L308 PolarHBondContact OG1-N 2.96Å; T306-L308 VanDerWaalsContact OG1-N 3.13Å; L308-A310 WeakPolarHBondContact O-CB 3.3Å; L308-A310 PolarHBondContact O-N 2.74Å; L308-K314 WeakPolarHBondContact O-CE 3.43Å; L308-W328 HydrophobicContact CD2-CE3 4.31Å; L308-W328 HydrophobicContact CD2-CZ3 4.04Å
309D96Very high97.6Very high152 Ų15223.1 Ų23.181%0.81314%0.136SC*.THydrogen-bonded Turntrans5125.9-174.5-54.5-45.1000113.4N307N307-D309 PolarHBondContact O-N 2.94Å; N307-D309 VanDerWaalsContact O-N 3.15Å
310A97.7Very high97.7Very high2 Ų221.5 Ų21.52%0.01712%0.116CC..  trans-149.179.9-171.100000111.3N307 L308 M312 Y313 K314 H334N307-A310 CarbonylContact C-O 3.46Å; N307-A310 WeakPolarHBondContact CA-O 3.18Å; N307-A310 WeakPolarHBondContact CB-O 3.32Å; N307-A310 CarbonylContact O-C 3.57Å; N307-A310 PolarHBondContact O-N 2.88Å; L308-A310 WeakPolarHBondContact O-CB 3.3Å; L308-A310 PolarHBondContact O-N 2.74Å; A310-M312 PolarHBondContact O-N 3.15Å; A310-M312 VanDerWaalsContact O-N 3.13Å; A310-Y313 WeakPolarHBondContact O-CA 3.26Å; A310-Y313 PolarHBondContact O-N 3.32Å; A310-K314 HydrophobicContact CB-CB 4.3Å; A310-K314 HydrophobicContact CB-CD 4Å; A310-K314 HydrophobicContact CB-CG 3.8Å; A310-H334 VanDerWaalsContact CA-ND1 3.34Å; A310-H334 WeakPolarHBondContact CA-ND1 3.35Å; A310-H334 HydrophobicContact CB-CB 3.75Å
311P96.5Very high97.6Very high41 Ų4123.7 Ų23.727%0.26614%0.136SC..THydrogen-bonded Turntrans-58.6-28.3-174.519.8-33.1000115H334 M336 G513 K514P311-H334 WeakPolarHBondContact CD-CE1 3.45Å; P311-M336 HydrophobicContact CG-SD 4.28Å; P311-G513 CarbonylContact O-C 3.56Å; P311-G513 WeakPolarHBondContact O-CA 3.19Å; P311-K514 HydrophobicContact CB-CB 4.16Å; P311-K514 PolarHBondContact O-N 2.85Å
312M97.9Very high97.4Very high3 Ų326.4 Ų26.42%0.01515%0.149CC..THydrogen-bonded Turntrans-97.619.5173.6-37.9-82.3-69.400113.1A310 H334 N335 M336 L339 L340A310-M312 PolarHBondContact O-N 3.15Å; A310-M312 VanDerWaalsContact O-N 3.13Å; M312-H334 WeakPolarHBondContact CA-NE2 3.41Å; M312-H334 WeakPolarHBondContact CB-CD2 3.44Å; M312-H334 WeakPolarHBondContact CB-NE2 3.32Å; M312-H334 WeakPolarHBondContact CG-NE2 3.24Å; M312-H334 PolarHBondContact N-CE1 2.89Å; M312-H334 PolarHBondContact N-NE2 2.81Å; M312-N335 WeakPolarHBondContact CB-O 3.5Å; M312-M336 HydrophobicContact CG-SD 4.48Å; M312-L339 HydrophobicContact CB-CD1 4.38Å; M312-L339 HydrophobicContact CE-CB 3.95Å; M312-L339 VanDerWaalsContact CE-N 3.32Å; M312-L340 PolarHBondContact O-N 2.87Å
313Y98.6Very high97.2Very high6 Ų628.5 Ų28.52%0.02416%0.163CC..  trans65.5157.1178.7-66.2-109.4000115.5V291 R305 T306 N307 A310 H334 L339V291-Y313 HydrophobicContact CB-CE1 3.82Å; V291-Y313 HydrophobicContact CG1-CE1 4.1Å; V291-Y313 HydrophobicContact CG2-CE1 3.9Å; V291-Y313 WeakPolarHBondContact CG2-OH 3.44Å; R305-Y313 HydrophobicContact CG-CD1 3.77Å; R305-Y313 VanDerWaalsContact CZ-CD1 3.42Å; T306-Y313 VanDerWaalsContact C-CD1 3.49Å; T306-Y313 CarbonylContact O-C 3.51Å; T306-Y313 WeakPolarHBondContact O-CA 3.13Å; N307-Y313 HydrophobicContact CB-CD1 3.85Å; N307-Y313 HydrophobicContact CB-CD2 4.06Å; N307-Y313 HydrophobicContact CB-CE1 3.74Å; N307-Y313 HydrophobicContact CB-CE2 3.93Å; N307-Y313 HydrophobicContact CB-CG 4.01Å; A310-Y313 WeakPolarHBondContact O-CA 3.26Å; A310-Y313 PolarHBondContact O-N 3.32Å; Y313-H334 WeakPolarHBondContact O-CA 3.05Å; Y313-H334 WeakPolarHBondContact O-CB 3.44Å; Y313-L339 HydrophobicContact CD2-CD1 3.69Å; Y313-L339 HydrophobicContact CE2-CD1 4.17Å
314K98.5Very high96.9Very high21 Ų2132.9 Ų32.99%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-142.9171.3173.558.1176.5176.4179.90110.5R305 T306 L308 A310 I316 D330 I332 H334R305-K314 WeakPolarHBondContact CA-O 3.24Å; T306-K314 HydrophobicContact CG2-CD 4.46Å; T306-K314 HydrophobicContact CG2-CG 3.74Å; T306-K314 PolarHBondContact N-O 3.13Å; T306-K314 PolarHBondContact O-N 3.27Å; L308-K314 WeakPolarHBondContact O-CE 3.43Å; A310-K314 HydrophobicContact CB-CB 4.3Å; A310-K314 HydrophobicContact CB-CD 4Å; A310-K314 HydrophobicContact CB-CG 3.8Å; K314-I316 HydrophobicContact CD-CG2 3.94Å; K314-I316 HydrophobicContact CG-CG2 4.11Å; K314-D330 WeakPolarHBondContact CD-OD1 3.29Å; K314-D330 WeakPolarHBondContact CD-OD2 3.47Å; K314-D330 WeakPolarHBondContact CE-OD1 3.39Å; K314-D330 VanDerWaalsContact NZ-CG 3.35Å; K314-D330 IonicContact NZ-OD1 2.82Å; K314-D330 PolarHBondContact NZ-OD1 2.79Å; K314-D330 IonicContact NZ-OD2 3.81Å; K314-D330 PolarHBondContact NZ-OD2 2.93Å; K314-I332 VanDerWaalsContact CB-O 3.3Å; K314-I332 WeakPolarHBondContact CB-O 3.34Å; K314-H334 HydrophobicContact CB-CB 4.05Å
315I98.8Very high96.7Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-105.9130.3167.6-53.1-56.5000108.9V303 F304 R305 L331 I332 L340 A343 I353V303-I315 HydrophobicContact CG1-CG2 3.25Å; F304-I315 CarbonylContact O-C 3.47Å; F304-I315 WeakPolarHBondContact O-CA 3.32Å; R305-I315 HydrophobicContact CB-CD1 3.78Å; R305-I315 HydrophobicContact CG-CD1 4.33Å; I315-L331 HydrophobicContact CG2-CB 4.18Å; I315-L331 HydrophobicContact CG2-CD2 3.95Å; I315-L331 PolarHBondContact O-N 2.91Å; I315-I332 HydrophobicContact CB-CB 3.9Å; I315-I332 HydrophobicContact CB-CD1 4.47Å; I315-I332 HydrophobicContact CB-CG1 4.26Å; I315-I332 HydrophobicContact CG1-CB 4.03Å; I315-I332 HydrophobicContact CG1-CD1 4.14Å; I315-I332 HydrophobicContact CG1-CG1 4.39Å; I315-I332 PolarHBondContact N-O 2.86Å; I315-I332 PolarHBondContact O-N 3.39Å; I315-L340 HydrophobicContact CD1-CD1 3.81Å; I315-L340 HydrophobicContact CD1-CD2 3.87Å; I315-L340 HydrophobicContact CG1-CD1 3.73Å; I315-A343 HydrophobicContact CD1-CB 3.81Å; I315-I353 HydrophobicContact CG1-CD1 4.36Å
316I98.5Very high96.6Very high2 Ų243.2 Ų43.21%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-119.416217661.7165.8000111.3V303 F304 T306 K314 I318 W328 E329V303-I316 WeakPolarHBondContact CA-O 3.34Å; F304-I316 HydrophobicContact CB-CG1 4.05Å; F304-I316 PolarHBondContact N-O 2.85Å; F304-I316 PolarHBondContact O-N 2.93Å; T306-I316 HydrophobicContact CG2-CB 4.38Å; T306-I316 HydrophobicContact CG2-CD1 3.85Å; T306-I316 HydrophobicContact CG2-CG1 3.82Å; T306-I316 HydrophobicContact CG2-CG2 3.71Å; K314-I316 HydrophobicContact CD-CG2 3.94Å; K314-I316 HydrophobicContact CG-CG2 4.11Å; I316-I318 HydrophobicContact CD1-CD1 3.84Å; I316-I318 HydrophobicContact CD1-CG1 4.03Å; I316-W328 HydrophobicContact CD1-CD2 4.43Å; I316-W328 HydrophobicContact CD1-CE3 3.58Å; I316-W328 HydrophobicContact CD1-CZ3 3.74Å; I316-E329 CarbonylContact C-O 3.08Å; I316-E329 WeakPolarHBondContact CA-O 3.24Å; I316-E329 WeakPolarHBondContact CB-O 3.4Å
317K98Very high96.5Very high44 Ų4445.7 Ų45.719%0.19125%0.245CC..EExtended strand (participates in β ladder)trans-119.4134.4172.9-171177178.5-179.50110S301 F302 E329S301-K317 WeakPolarHBondContact OG-CE 3.31Å; S301-K317 WeakPolarHBondContact OG-CG 3.27Å; F302-K317 CarbonylContact O-C 3.55Å; F302-K317 VanDerWaalsContact O-CA 3.25Å; F302-K317 WeakPolarHBondContact O-CA 3.37Å; K317-E329 HydrophobicContact CB-CB 4.35Å; K317-E329 PolarHBondContact N-O 3.18Å; K317-E329 PolarHBondContact O-N 2.99Å; K317-E329 VanDerWaalsContact O-N 3.09Å
318I98Very high96.4Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-130125.9179.2-55.4176.5000108.5I284 F302 F304 I316 W328I284-I318 HydrophobicContact CG2-CD1 4.11Å; I284-I318 HydrophobicContact CG2-CG2 4.28Å; F302-I318 PolarHBondContact N-O 3.01Å; F302-I318 PolarHBondContact O-N 3.11Å; F304-I318 HydrophobicContact CD2-CB 4.44Å; F304-I318 HydrophobicContact CD2-CD1 3.71Å; F304-I318 HydrophobicContact CD2-CG1 4.11Å; F304-I318 HydrophobicContact CE2-CB 4.26Å; F304-I318 HydrophobicContact CE2-CD1 3.91Å; F304-I318 HydrophobicContact CE2-CG1 4.35Å; I316-I318 HydrophobicContact CD1-CD1 3.84Å; I316-I318 HydrophobicContact CD1-CG1 4.03Å; I318-W328 HydrophobicContact CD1-CD2 3.8Å; I318-W328 HydrophobicContact CD1-CE3 4Å; I318-W328 HydrophobicContact CD1-CG 4.48Å; I318-W328 HydrophobicContact CD1-CH2 3.67Å; I318-W328 HydrophobicContact CD1-CZ2 3.54Å; I318-W328 HydrophobicContact CD1-CZ3 3.93Å; I318-W328 HydrophobicContact CG1-CD2 3.82Å; I318-W328 HydrophobicContact CG1-CE3 4.3Å; I318-W328 HydrophobicContact CG1-CG 3.98Å; I318-W328 HydrophobicContact CG1-CZ2 4.35Å
319S97.3Very high96.4Very high32 Ų3251.2 Ų51.222%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-90.4127.9169.3171.90000110.1D300 S321 N322 C323D300-S319 CarbonylContact O-C 3.56Å; D300-S319 WeakPolarHBondContact O-CA 3.32Å; D300-S319 PolarHBondContact OD2-OG 2.96Å; S319-S321 VanDerWaalsContact C-N 3.27Å; S319-S321 PolarHBondContact O-N 2.84Å; S319-S321 PolarHBondContact OG-N 2.69Å; S319-S321 PolarHBondContact OG-OG 3.43Å; S319-N322 CarbonylContact O-C 3.5Å; S319-N322 PolarHBondContact O-N 3.06Å; S319-C323 VanDerWaalsContact O-CA 3.27Å; S319-C323 WeakPolarHBondContact O-CA 3.44Å; S319-C323 PolarHBondContact O-N 2.89Å; S319-C323 VanDerWaalsContact O-N 3.13Å
320L95.8Very high96.5Very high13 Ų1347 Ų477%0.06825%0.246CC..G310 helixtrans-69.1-24.8178.3-60.3-173.8000112.9Y248 Y265 I284 D300 F302 N322Y248-L320 HydrophobicContact CD1-CD1 3.92Å; Y248-L320 HydrophobicContact CE1-CD1 3.75Å; Y248-L320 HydrophobicContact CG-CD1 4.42Å; Y265-L320 HydrophobicContact CD1-CD1 4.38Å; Y265-L320 HydrophobicContact CD1-CD2 4.15Å; Y265-L320 HydrophobicContact CD2-CD1 3.85Å; Y265-L320 HydrophobicContact CE1-CD1 4.31Å; Y265-L320 HydrophobicContact CE1-CD2 4.06Å; Y265-L320 HydrophobicContact CE2-CD1 3.78Å; Y265-L320 HydrophobicContact CG-CD1 4.14Å; I284-L320 HydrophobicContact CD1-CD2 3.53Å; I284-L320 HydrophobicContact CG1-CD2 4.06Å; D300-L320 HydrophobicContact CB-CB 4.33Å; D300-L320 PolarHBondContact O-N 3.18Å; F302-L320 HydrophobicContact CD2-CD1 3.86Å; F302-L320 HydrophobicContact CD2-CD2 4.13Å; F302-L320 HydrophobicContact CD2-CG 3.67Å; F302-L320 HydrophobicContact CE2-CD1 3.27Å; F302-L320 HydrophobicContact CE2-CD2 4.36Å; F302-L320 HydrophobicContact CE2-CG 3.63Å; F302-L320 HydrophobicContact CZ-CD1 3.86Å; L320-N322 VanDerWaalsContact C-N 3.28Å
321S92.7Very high96.5Very high99 Ų9947.7 Ų47.769%0.69225%0.25SC*.G310 helixtrans-75.6-16.817458.70000113.5D300 S319D300-S321 WeakPolarHBondContact OD2-CB 3.1Å; D300-S321 PolarHBondContact OD2-N 3.43Å; D300-S321 PolarHBondContact OD2-OG 3Å; S319-S321 VanDerWaalsContact C-N 3.27Å; S319-S321 PolarHBondContact O-N 2.84Å; S319-S321 PolarHBondContact OG-N 2.69Å; S319-S321 PolarHBondContact OG-OG 3.43Å
322N92.9Very high96.6Very high76 Ų7646.1 Ų46.141%0.40624%0.239SC..G310 helixtrans-141.659.4178.3-166.318.4000111S319 L320 D324 N327S319-N322 CarbonylContact O-C 3.5Å; S319-N322 PolarHBondContact O-N 3.06Å; L320-N322 VanDerWaalsContact C-N 3.28Å; N322-D324 VanDerWaalsContact C-N 3.26Å; N322-D324 PolarHBondContact O-N 2.77Å; N322-N327 VanDerWaalsContact CG-CG 3.5Å; N322-N327 PolarHBondContact ND2-ND2 3.36Å; N322-N327 PolarHBondContact ND2-OD1 3.41Å; N322-N327 PolarHBondContact O-ND2 3.39Å; N322-N327 PolarHBondContact OD1-ND2 3.18Å
323C93.6Very high96.5Very high44 Ų4452.2 Ų52.230%0.29727%0.267SS..  trans-76.9-2.2-166.363.90000115.3S319 R325 W328S319-C323 VanDerWaalsContact O-CA 3.27Å; S319-C323 WeakPolarHBondContact O-CA 3.44Å; S319-C323 PolarHBondContact O-N 2.89Å; S319-C323 VanDerWaalsContact O-N 3.13Å; C323-R325 PolarHBondContact O-N 3.17Å; C323-W328 PolarHBondContact O-NE1 3.35Å
324D93.7Very high96.3Very high98 Ų9854.2 Ų54.252%0.52428%0.276SS..SBendtrans-58.3140178.4-65.8-41.4000111.3N322 Q326 N327 W328N322-D324 VanDerWaalsContact C-N 3.26Å; N322-D324 PolarHBondContact O-N 2.77Å; D324-Q326 HydrophobicContact CB-CG 4.25Å; D324-Q326 PolarHBondContact O-N 3.22Å; D324-N327 PolarHBondContact O-N 3.15Å; D324-N327 PolarHBondContact O-ND2 3.37Å; D324-W328 VanDerWaalsContact O-CD1 3.24Å
325R94Very high96.2Very high76 Ų7656.5 Ų56.529%0.28729%0.29SS..G310 helixtrans-49-37.2-174.9-172.758.350.6127.59114.2E289 Y292 C323 N327 W328E289-R325 IonicContact OE1-CZ 3.45Å; E289-R325 IonicContact OE1-NH1 3.33Å; E289-R325 PolarHBondContact OE1-NH1 3.33Å; E289-R325 IonicContact OE1-NH2 2.8Å; E289-R325 PolarHBondContact OE1-NH2 3.4Å; Y292-R325 PolarHBondContact OH-NH1 3.26Å; C323-R325 PolarHBondContact O-N 3.17Å; R325-N327 PolarHBondContact O-N 3.19Å; R325-W328 VanDerWaalsContact CD-CE3 3.49Å; R325-W328 VanDerWaalsContact NE-CH2 3.3Å; R325-W328 VanDerWaalsContact NH1-CH2 3.34Å; R325-W328 WeakPolarHBondContact O-CB 3.3Å; R325-W328 PolarHBondContact O-N 2.98Å
326Q95.4Very high96Very high165 Ų16562.4 Ų62.477%0.77132%0.319SS*.G310 helixtrans-66-18.3-17868.5-172.89.300113.9D324D324-Q326 HydrophobicContact CB-CG 4.25Å; D324-Q326 PolarHBondContact O-N 3.22Å
327N96.6Very high95.9Very high53 Ų5367.9 Ų67.928%0.28334%0.344SS..G310 helixtrans-971.6179.3-51-63.4000112.8N322 D324 R325N322-N327 VanDerWaalsContact CG-CG 3.5Å; N322-N327 PolarHBondContact ND2-ND2 3.36Å; N322-N327 PolarHBondContact ND2-OD1 3.41Å; N322-N327 PolarHBondContact O-ND2 3.39Å; N322-N327 PolarHBondContact OD1-ND2 3.18Å; D324-N327 PolarHBondContact O-N 3.15Å; D324-N327 PolarHBondContact O-ND2 3.37Å; R325-N327 PolarHBondContact O-N 3.19Å
328W97.4Very high95.8Very high33 Ų3366.1 Ų66.113%0.12534%0.338CS..  trans-74.8136.9179.5-64.414.2000109.8I284 V285 Y292 L308 I316 I318 C323 D324 R325I284-W328 HydrophobicContact CG2-CZ2 4.35Å; V285-W328 HydrophobicContact CG2-CH2 3.52Å; V285-W328 HydrophobicContact CG2-CZ2 4Å; Y292-W328 HydrophobicContact CD1-CH2 4.43Å; Y292-W328 HydrophobicContact CD1-CZ3 4.39Å; Y292-W328 AromaticContact CE1-CH2 3.78Å; Y292-W328 HydrophobicContact CE1-CH2 3.78Å; Y292-W328 AromaticContact CE1-CZ3 3.57Å; Y292-W328 HydrophobicContact CE1-CZ3 3.57Å; L308-W328 HydrophobicContact CD2-CE3 4.31Å; L308-W328 HydrophobicContact CD2-CZ3 4.04Å; I316-W328 HydrophobicContact CD1-CD2 4.43Å; I316-W328 HydrophobicContact CD1-CE3 3.58Å; I316-W328 HydrophobicContact CD1-CZ3 3.74Å; I318-W328 HydrophobicContact CD1-CD2 3.8Å; I318-W328 HydrophobicContact CD1-CE3 4Å; I318-W328 HydrophobicContact CD1-CG 4.48Å; I318-W328 HydrophobicContact CD1-CH2 3.67Å; I318-W328 HydrophobicContact CD1-CZ2 3.54Å; I318-W328 HydrophobicContact CD1-CZ3 3.93Å; I318-W328 HydrophobicContact CG1-CD2 3.82Å; I318-W328 HydrophobicContact CG1-CE3 4.3Å; I318-W328 HydrophobicContact CG1-CG 3.98Å; I318-W328 HydrophobicContact CG1-CZ2 4.35Å; C323-W328 PolarHBondContact O-NE1 3.35Å; D324-W328 VanDerWaalsContact O-CD1 3.24Å; R325-W328 VanDerWaalsContact CD-CE3 3.49Å; R325-W328 VanDerWaalsContact NE-CH2 3.3Å; R325-W328 VanDerWaalsContact NH1-CH2 3.34Å; R325-W328 WeakPolarHBondContact O-CB 3.3Å; R325-W328 PolarHBondContact O-N 2.98Å
329E96.7Very high95.8Very high116 Ų11666.5 Ų66.554%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-111.8131.6-175.7-62.4174-179.600110.3I316 K317 L331I316-E329 CarbonylContact C-O 3.08Å; I316-E329 WeakPolarHBondContact CA-O 3.24Å; I316-E329 WeakPolarHBondContact CB-O 3.4Å; K317-E329 HydrophobicContact CB-CB 4.35Å; K317-E329 PolarHBondContact N-O 3.18Å; K317-E329 PolarHBondContact O-N 2.99Å; K317-E329 VanDerWaalsContact O-N 3.09Å; E329-L331 PolarHBondContact O-N 3.26Å
330D97.1Very high95.9Very high64 Ų6465 Ų6534%0.34233%0.329SS..EExtended strand (participates in β ladder)trans-72.5105.9166.5-8214.9000108.8K314 H333K314-D330 WeakPolarHBondContact CD-OD1 3.29Å; K314-D330 WeakPolarHBondContact CD-OD2 3.47Å; K314-D330 WeakPolarHBondContact CE-OD1 3.39Å; K314-D330 VanDerWaalsContact NZ-CG 3.35Å; K314-D330 IonicContact NZ-OD1 2.82Å; K314-D330 PolarHBondContact NZ-OD1 2.79Å; K314-D330 IonicContact NZ-OD2 3.81Å; K314-D330 PolarHBondContact NZ-OD2 2.93Å; D330-H333 WeakPolarHBondContact CB-ND1 3.11Å; D330-H333 IonicContact OD2-CE1 3Å; D330-H333 IonicContact OD2-ND1 3.43Å; D330-H333 PolarHBondContact OD2-ND1 3.5Å
331L98.1Very high95.9Very high16 Ų1666 Ų668%0.08433%0.333CS..EExtended strand (participates in β ladder)trans-79.1-47.5178.3-176.665.6000110.9V303 I315 E329 L351 L368 T370 G371V303-L331 HydrophobicContact CG1-CD2 3.99Å; V303-L331 HydrophobicContact CG2-CD2 4.24Å; I315-L331 HydrophobicContact CG2-CB 4.18Å; I315-L331 HydrophobicContact CG2-CD2 3.95Å; I315-L331 PolarHBondContact O-N 2.91Å; E329-L331 PolarHBondContact O-N 3.26Å; L331-L351 HydrophobicContact CD2-CD1 4.15Å; L331-L368 WeakPolarHBondContact CD2-O 3.45Å; L331-T370 VanDerWaalsContact CD1-C 3.5Å; L331-G371 VanDerWaalsContact CD1-N 3.31Å; L331-G371 WeakPolarHBondContact O-CA 3.46Å
332I98.3Very high96.2Very high8 Ų863 Ų634%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-129.6110.5174.4-59.2177.3000107.4K314 I315 L351 I353 H366K314-I332 VanDerWaalsContact CB-O 3.3Å; K314-I332 WeakPolarHBondContact CB-O 3.34Å; I315-I332 HydrophobicContact CB-CB 3.9Å; I315-I332 HydrophobicContact CB-CD1 4.47Å; I315-I332 HydrophobicContact CB-CG1 4.26Å; I315-I332 HydrophobicContact CG1-CB 4.03Å; I315-I332 HydrophobicContact CG1-CD1 4.14Å; I315-I332 HydrophobicContact CG1-CG1 4.39Å; I315-I332 PolarHBondContact N-O 2.86Å; I315-I332 PolarHBondContact O-N 3.39Å; I332-L351 HydrophobicContact CD1-CD1 4.25Å; I332-I353 HydrophobicContact CD1-CD1 3.74Å; I332-I353 HydrophobicContact CD1-CG1 3.83Å; I332-H366 HydrophobicContact CD1-CB 3.86Å
333H97Very high96.4Very high131 Ų13160.1 Ų60.161%0.60630%0.3SS*.  trans-61.8152.1-178.3-63.2-69.3000112.9D330D330-H333 WeakPolarHBondContact CB-ND1 3.11Å; D330-H333 IonicContact OD2-CE1 3Å; D330-H333 IonicContact OD2-ND1 3.43Å; D330-H333 PolarHBondContact OD2-ND1 3.5Å
334H94.3Very high96.6Very high47 Ų4759.4 Ų59.422%0.21829%0.294CS..  trans-63.7141.5171.8169.7-151.1000111.6A310 P311 M312 Y313 K314 M336A310-H334 VanDerWaalsContact CA-ND1 3.34Å; A310-H334 WeakPolarHBondContact CA-ND1 3.35Å; A310-H334 HydrophobicContact CB-CB 3.75Å; P311-H334 WeakPolarHBondContact CD-CE1 3.45Å; M312-H334 WeakPolarHBondContact CA-NE2 3.41Å; M312-H334 WeakPolarHBondContact CB-CD2 3.44Å; M312-H334 WeakPolarHBondContact CB-NE2 3.32Å; M312-H334 WeakPolarHBondContact CG-NE2 3.24Å; M312-H334 PolarHBondContact N-CE1 2.89Å; M312-H334 PolarHBondContact N-NE2 2.81Å; Y313-H334 WeakPolarHBondContact O-CA 3.05Å; Y313-H334 WeakPolarHBondContact O-CB 3.44Å; K314-H334 HydrophobicContact CB-CB 4.05Å; H334-M336 PolarHBondContact CE1-SD 3.22Å
335N95.5Very high96.8Very high69 Ų6955 Ų5537%0.36927%0.27SS..  trans-120119.7172.5-177.8-14.5000111.1M312 E337 S338M312-N335 WeakPolarHBondContact CB-O 3.5Å; N335-E337 PolarHBondContact O-N 3.15Å; N335-E337 WeakPolarHBondContact OD1-CB 3.4Å; N335-E337 PolarHBondContact OD1-N 3.17Å; N335-S338 PolarHBondContact ND2-OG 3.43Å; N335-S338 PolarHBondContact O-N 3.07Å
336M95.4Very high97Very high125 Ų12551.4 Ų51.462%0.61626%0.257SS*.THydrogen-bonded Turntrans-64.5-18.8180-71.8-60.7-56.200114.5P311 M312 H334P311-M336 HydrophobicContact CG-SD 4.28Å; M312-M336 HydrophobicContact CG-SD 4.48Å; H334-M336 PolarHBondContact CE1-SD 3.22Å
337E95.8Very high97.1Very high116 Ų11645.7 Ų45.754%0.54223%0.232SC..THydrogen-bonded Turntrans-88.5-11.7179.7-59.6-174.7-177.700113.7N335 K357N335-E337 PolarHBondContact O-N 3.15Å; N335-E337 WeakPolarHBondContact OD1-CB 3.4Å; N335-E337 PolarHBondContact OD1-N 3.17Å; E337-K357 IonicContact OE2-NZ 3.82Å; E337-K357 PolarHBondContact OE2-NZ 3.03Å
338S96.8Very high97.1Very high8 Ų848 Ų486%0.05624%0.241CC..SBendtrans-153.2124.6-172.164.30000112.5N335 L340 R355 L356N335-S338 PolarHBondContact ND2-OG 3.43Å; N335-S338 PolarHBondContact O-N 3.07Å; S338-L340 PolarHBondContact O-N 3.39Å; S338-R355 WeakPolarHBondContact OG-CD 3.26Å; S338-L356 CarbonylContact C-O 3.58Å; S338-L356 VanDerWaalsContact CA-O 3.26Å; S338-L356 WeakPolarHBondContact CA-O 3.14Å
339L98Very high97Very high7 Ų749.9 Ų49.94%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-69.7125177.8177.869.6000110.2M312 Y313 E341 R355 L356 G510M312-L339 HydrophobicContact CB-CD1 4.38Å; M312-L339 HydrophobicContact CE-CB 3.95Å; M312-L339 VanDerWaalsContact CE-N 3.32Å; Y313-L339 HydrophobicContact CD2-CD1 3.69Å; Y313-L339 HydrophobicContact CE2-CD1 4.17Å; L339-E341 HydrophobicContact CD2-CG 3.83Å; L339-E341 HydrophobicContact CG-CG 4.13Å; L339-E341 PolarHBondContact O-N 2.71Å; L339-R355 CarbonylContact O-C 3.55Å; L339-R355 WeakPolarHBondContact O-CA 3.4Å; L339-R355 WeakPolarHBondContact O-CB 3.28Å; L339-L356 HydrophobicContact CB-CB 4.1Å; L339-L356 HydrophobicContact CD2-CB 4.48Å; L339-L356 PolarHBondContact N-O 2.86Å; L339-L356 PolarHBondContact O-N 3.29Å; L339-G510 VanDerWaalsContact CD2-O 3.23Å; L339-G510 WeakPolarHBondContact CD2-O 3.39Å
340L98.3Very high97.1Very high2 Ų246.2 Ų46.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-75.4105.5166-167.1160.9000108.5R305 M312 I315 S338 I353R305-L340 VanDerWaalsContact CD-CD2 3.49Å; R305-L340 HydrophobicContact CG-CD2 3.92Å; R305-L340 VanDerWaalsContact CZ-O 3.29Å; R305-L340 PolarHBondContact NE-O 3.25Å; R305-L340 PolarHBondContact NH2-O 3.07Å; M312-L340 PolarHBondContact O-N 2.87Å; I315-L340 HydrophobicContact CD1-CD1 3.81Å; I315-L340 HydrophobicContact CD1-CD2 3.87Å; I315-L340 HydrophobicContact CG1-CD1 3.73Å; S338-L340 PolarHBondContact O-N 3.39Å; L340-I353 HydrophobicContact CD1-CG2 4.01Å; L340-I353 HydrophobicContact CG-CG2 3.97Å
341E97.1Very high97.1Very high32 Ų3243.2 Ų43.215%0.1522%0.219CC..EExtended strand (participates in β ladder)trans-83.1-45.6-178.3-72.9-171.8125.200111.6R305 L339 C354 L356R305-E341 PolarHBondContact NE-O 3.13Å; R305-E341 PolarHBondContact NH2-O 3.06Å; L339-E341 HydrophobicContact CD2-CG 3.83Å; L339-E341 HydrophobicContact CG-CG 4.13Å; L339-E341 PolarHBondContact O-N 2.71Å; E341-C354 PolarHBondContact N-O 2.85Å; E341-L356 HydrophobicContact CG-CB 3.97Å
342S97.2Very high97.2Very high37 Ų3742.5 Ų42.526%0.25922%0.216SC..EExtended strand (participates in β ladder)trans-154.4161.7-178.465.80000113C354S342-C354 PolarHBondContact N-O 3.13Å; S342-C354 PolarHBondContact O-N 2.99Å; S342-C354 WeakPolarHBondContact OG-CB 3.33Å
343A98.1Very high97.2Very high16 Ų1642.1 Ų42.113%0.13221%0.214CC..EExtended strand (participates in β ladder)trans-137.7132.2171.200000108.8V295 I315 V352 I353V295-A343 HydrophobicContact CG1-CB 3.91Å; V295-A343 HydrophobicContact CG2-CB 4Å; I315-A343 HydrophobicContact CD1-CB 3.81Å; A343-V352 WeakPolarHBondContact CA-O 3.36Å; A343-I353 HydrophobicContact CB-CD1 3.45Å; A343-I353 VanDerWaalsContact CB-CD1 3.45Å
344V97.8Very high97.2Very high28 Ų2836 Ų3617%0.1719%0.186CC..EExtended strand (participates in β ladder)trans-124.1128.2178.4-1780000109V346 L351 V352 V387 G389V344-V346 HydrophobicContact CB-CG2 4.48Å; V344-V346 HydrophobicContact CG1-CG2 3.79Å; V344-L351 CarbonylContact O-C 3.53Å; V344-L351 WeakPolarHBondContact O-CA 3.48Å; V344-V352 PolarHBondContact N-O 2.91Å; V344-V352 PolarHBondContact O-N 2.85Å; V344-V387 HydrophobicContact CB-CG1 4.44Å; V344-V387 HydrophobicContact CG2-CB 4.12Å; V344-V387 HydrophobicContact CG2-CG1 4.29Å; V344-G389 WeakPolarHBondContact CG1-O 3.44Å
345C98.3Very high97.4Very high6 Ų635.4 Ų35.44%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-85.5126.8174.6-167.10000110.9T296 K350 L351 R390 K391T296-C345 HydrophobicContact CG2-CB 3.8Å; C345-K350 WeakPolarHBondContact CA-O 3.23Å; C345-L351 HydrophobicContact CB-CD2 3.97Å; C345-R390 CarbonylContact O-C 3.56Å; C345-R390 VanDerWaalsContact O-C 3.3Å; C345-K391 WeakPolarHBondContact O-CA 3.3Å; C345-K391 PolarHBondContact O-N 3.38Å; C345-K391 VanDerWaalsContact O-N 3.09Å
346V97.4Very high97.5Very high0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-143.4156.5-176.3-162.50000108.8V344 E348 K350 V352 D393 E395 A396 F414V344-V346 HydrophobicContact CB-CG2 4.48Å; V344-V346 HydrophobicContact CG1-CG2 3.79Å; V346-E348 VanDerWaalsContact C-N 3.28Å; V346-E348 PolarHBondContact O-N 2.95Å; V346-K350 PolarHBondContact N-O 3.42Å; V346-K350 WeakPolarHBondContact O-CA 3.23Å; V346-K350 VanDerWaalsContact O-CB 3.3Å; V346-K350 WeakPolarHBondContact O-CB 3.15Å; V346-K350 PolarHBondContact O-N 3.22Å; V346-K350 VanDerWaalsContact O-N 3.07Å; V346-K350 VanDerWaalsContact O-O 3.06Å; V346-V352 HydrophobicContact CG2-CG2 4.36Å; V346-D393 VanDerWaalsContact CG1-O 3.27Å; V346-D393 WeakPolarHBondContact CG1-O 3.49Å; V346-E395 WeakPolarHBondContact CG1-O 3.41Å; V346-A396 HydrophobicContact CG1-CB 4.32Å; V346-A396 HydrophobicContact CG2-CB 4.28Å; V346-F414 HydrophobicContact CB-CE2 4.06Å; V346-F414 HydrophobicContact CG1-CD2 4.09Å; V346-F414 HydrophobicContact CG1-CE2 3.88Å
347N96.9Very high97.6Very high45 Ų4530 Ų3024%0.24115%0.152CC..THydrogen-bonded Turntrans51.545.2176.4-168.471.1000113.5D349 K350 K391 D393 F414N347-D349 PolarHBondContact O-N 2.84Å; N347-K350 HydrophobicContact CB-CG 4.32Å; N347-K391 PolarHBondContact N-O 3.13Å; N347-D393 WeakPolarHBondContact CA-O 3.19Å; N347-D393 PolarHBondContact N-O 3.01Å; N347-F414 HydrophobicContact CB-CB 3.64Å; N347-F414 HydrophobicContact CB-CD1 4.39Å; N347-F414 HydrophobicContact CB-CD2 4.12Å; N347-F414 HydrophobicContact CB-CG 3.81Å
348E96.7Very high97.6Very high101 Ų10127 Ų2747%0.47214%0.139SC..THydrogen-bonded Turntrans62.2-49.6-178.1-58.1-64.9168.700115V346 K391 R392V346-E348 VanDerWaalsContact C-N 3.28Å; V346-E348 PolarHBondContact O-N 2.95Å; E348-K391 WeakPolarHBondContact CA-O 3.23Å; E348-K391 PolarHBondContact N-O 2.79Å; E348-K391 WeakPolarHBondContact O-CE 3.36Å; E348-R392 WeakPolarHBondContact OE1-CA 3.43Å
349D96.8Very high97.7Very high73 Ų7326.6 Ų26.639%0.3914%0.137SC..THydrogen-bonded Turntrans-126.515.3-166.581.2-23.6000114.1N347 L368N347-D349 PolarHBondContact O-N 2.84Å; D349-L368 VanDerWaalsContact O-CB 3.27Å; D349-L368 WeakPolarHBondContact O-CB 3.37Å; D349-L368 PolarHBondContact O-N 2.82Å
350K97.8Very high97.6Very high40 Ų4028.7 Ų28.717%0.17415%0.145CC..EExtended strand (participates in β ladder)trans-113.9141.8179.6-53.5-62.5-178.3-110.70111.8C345 V346 N347 V365 H366 I374 F414C345-K350 WeakPolarHBondContact CA-O 3.23Å; V346-K350 PolarHBondContact N-O 3.42Å; V346-K350 WeakPolarHBondContact O-CA 3.23Å; V346-K350 VanDerWaalsContact O-CB 3.3Å; V346-K350 WeakPolarHBondContact O-CB 3.15Å; V346-K350 PolarHBondContact O-N 3.22Å; V346-K350 VanDerWaalsContact O-N 3.07Å; V346-K350 VanDerWaalsContact O-O 3.06Å; N347-K350 HydrophobicContact CB-CG 4.32Å; K350-V365 HydrophobicContact CB-CG1 4.22Å; K350-V365 HydrophobicContact CD-CG1 4.27Å; K350-H366 WeakPolarHBondContact CA-O 3.35Å; K350-I374 HydrophobicContact CD-CD1 3.49Å; K350-I374 VanDerWaalsContact CD-CD1 3.49Å; K350-F414 HydrophobicContact CB-CD1 4.41Å; K350-F414 HydrophobicContact CB-CE1 4.06Å; K350-F414 HydrophobicContact CG-CD1 4.08Å; K350-F414 HydrophobicContact CG-CE1 4.18Å
351L98.4Very high97.6Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-112.3122.9170.7-67.5174.2000109.4V295 L331 I332 V344 C345 I353 V365 H366 L368V295-L351 HydrophobicContact CG1-CD2 3.8Å; L331-L351 HydrophobicContact CD2-CD1 4.15Å; I332-L351 HydrophobicContact CD1-CD1 4.25Å; V344-L351 CarbonylContact O-C 3.53Å; V344-L351 WeakPolarHBondContact O-CA 3.48Å; C345-L351 HydrophobicContact CB-CD2 3.97Å; L351-I353 HydrophobicContact CB-CD1 3.98Å; L351-I353 HydrophobicContact CB-CG1 4.44Å; L351-V365 CarbonylContact O-C 3.48Å; L351-V365 WeakPolarHBondContact O-CA 3.34Å; L351-H366 HydrophobicContact CB-CB 4.3Å; L351-H366 PolarHBondContact N-O 3.45Å; L351-H366 PolarHBondContact O-N 2.95Å; L351-L368 HydrophobicContact CD1-CD1 3.99Å; L351-L368 HydrophobicContact CD2-CD1 3.94Å; L351-L368 HydrophobicContact CG-CB 4.41Å; L351-L368 HydrophobicContact CG-CD1 3.98Å
352V98.3Very high97.6Very high2 Ų230.5 Ų30.51%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-87.8115.5164.2-178.40000107.7A343 V344 V346 L363 I377 V387 F414A343-V352 WeakPolarHBondContact CA-O 3.36Å; V344-V352 PolarHBondContact N-O 2.91Å; V344-V352 PolarHBondContact O-N 2.85Å; V346-V352 HydrophobicContact CG2-CG2 4.36Å; V352-L363 HydrophobicContact CG1-CD2 4.18Å; V352-I377 HydrophobicContact CG1-CD1 4.31Å; V352-V387 HydrophobicContact CB-CG1 4.4Å; V352-V387 HydrophobicContact CG1-CG1 4.1Å; V352-F414 HydrophobicContact CG2-CE2 4.39Å; V352-F414 HydrophobicContact CG2-CZ 3.74Å
353I98.3Very high97.6Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-104.1123.9-179.3-53.5-61.4000109.6I315 I332 L340 A343 L351 R355 L363 S364 H366I315-I353 HydrophobicContact CG1-CD1 4.36Å; I332-I353 HydrophobicContact CD1-CD1 3.74Å; I332-I353 HydrophobicContact CD1-CG1 3.83Å; L340-I353 HydrophobicContact CD1-CG2 4.01Å; L340-I353 HydrophobicContact CG-CG2 3.97Å; A343-I353 HydrophobicContact CB-CD1 3.45Å; A343-I353 VanDerWaalsContact CB-CD1 3.45Å; L351-I353 HydrophobicContact CB-CD1 3.98Å; L351-I353 HydrophobicContact CB-CG1 4.44Å; I353-R355 HydrophobicContact CG2-CG 4.17Å; I353-R355 VanDerWaalsContact CG2-NH1 3.29Å; I353-L363 WeakPolarHBondContact O-CA 3.38Å; I353-S364 PolarHBondContact N-O 3.46Å; I353-S364 PolarHBondContact O-N 2.79Å; I353-S364 VanDerWaalsContact O-N 3.09Å; I353-H366 HydrophobicContact CG1-CB 4.47Å; I353-H366 VanDerWaalsContact CG1-CD2 3.47Å; I353-H366 WeakPolarHBondContact CG1-CD2 3.43Å
354C97.9Very high97.6Very high3 Ų328.4 Ų28.42%0.0215%0.145CC..EExtended strand (participates in β ladder)trans-99.3128.1170.6-167.80000110.6E341 S342 L363E341-C354 PolarHBondContact N-O 2.85Å; S342-C354 PolarHBondContact N-O 3.13Å; S342-C354 PolarHBondContact O-N 2.99Å; S342-C354 WeakPolarHBondContact OG-CB 3.33Å; C354-L363 HydrophobicContact CB-CD2 3.79Å
355R97.7Very high97.6Very high33 Ų3327.3 Ų27.313%0.12514%0.138CC..EExtended strand (participates in β ladder)trans-123.1149.3174.5-68.5178.7173.190.6-0.4111.8S338 L339 I353 S361 C362 S364S338-R355 WeakPolarHBondContact OG-CD 3.26Å; L339-R355 CarbonylContact O-C 3.55Å; L339-R355 WeakPolarHBondContact O-CA 3.4Å; L339-R355 WeakPolarHBondContact O-CB 3.28Å; I353-R355 HydrophobicContact CG2-CG 4.17Å; I353-R355 VanDerWaalsContact CG2-NH1 3.29Å; R355-S361 CarbonylContact O-C 3.57Å; R355-S361 VanDerWaalsContact O-CA 3.25Å; R355-S361 WeakPolarHBondContact O-CA 3.12Å; R355-C362 PolarHBondContact N-O 3.18Å; R355-C362 PolarHBondContact O-N 3.36Å; R355-S364 PolarHBondContact NH1-OG 2.92Å
356L97.8Very high97.6Very high1 Ų127.5 Ų27.51%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-106113.5170.5-161.773.5000109.6S338 L339 E341 V359 K360 Y383 T483S338-L356 CarbonylContact C-O 3.58Å; S338-L356 VanDerWaalsContact CA-O 3.26Å; S338-L356 WeakPolarHBondContact CA-O 3.14Å; L339-L356 HydrophobicContact CB-CB 4.1Å; L339-L356 HydrophobicContact CD2-CB 4.48Å; L339-L356 PolarHBondContact N-O 2.86Å; L339-L356 PolarHBondContact O-N 3.29Å; E341-L356 HydrophobicContact CG-CB 3.97Å; L356-V359 VanDerWaalsContact CD1-C 3.48Å; L356-V359 HydrophobicContact CD2-CG1 4.44Å; L356-K360 CarbonylContact C-O 2.94Å; L356-K360 WeakPolarHBondContact CA-O 3.2Å; L356-Y383 HydrophobicContact CD1-CD2 4.28Å; L356-Y383 HydrophobicContact CD1-CE2 4.5Å; L356-T483 HydrophobicContact CD1-CG2 3.89Å; L356-T483 HydrophobicContact CD2-CG2 4.09Å
357K97.2Very high97.6Very high81 Ų8131 Ų3135%0.35215%0.154SC..EExtended strand (participates in β ladder)trans-114.2119.4174.1177.8162.31801630109.5E337 V359 K360E337-K357 IonicContact OE2-NZ 3.82Å; E337-K357 PolarHBondContact OE2-NZ 3.03Å; K357-V359 PolarHBondContact O-N 3.04Å; K357-K360 PolarHBondContact N-O 2.83Å; K357-K360 PolarHBondContact O-N 2.83Å
358D97.4Very high97.6Very high52 Ų5229.4 Ų29.428%0.27815%0.145SC..THydrogen-bonded Turntrans44.849.8-172.3-58.2-45.2000111.6K360 Q441 F443 Y512D358-K360 VanDerWaalsContact C-N 3.28Å; D358-K360 PolarHBondContact O-N 3.13Å; D358-Q441 PolarHBondContact O-NE2 2.79Å; D358-F443 HydrophobicContact CB-CZ 4.35Å; D358-Y512 PolarHBondContact OD1-OH 2.92Å
359V97.8Very high97.6Very high0 Ų030.9 Ų30.90%016%0.155CC..THydrogen-bonded Turntrans63.625.6177.7-1520000114.6L356 K357 P453 F455 T483 P484 N505 E511L356-V359 VanDerWaalsContact CD1-C 3.48Å; L356-V359 HydrophobicContact CD2-CG1 4.44Å; K357-V359 PolarHBondContact O-N 3.04Å; V359-P453 HydrophobicContact CG2-CB 4.24Å; V359-P453 HydrophobicContact CG2-CG 3.95Å; V359-F455 HydrophobicContact CB-CE2 3.75Å; V359-F455 HydrophobicContact CB-CZ 4.03Å; V359-F455 HydrophobicContact CG1-CE2 3.84Å; V359-T483 HydrophobicContact CG1-CG2 4.32Å; V359-P484 WeakPolarHBondContact O-CD 3.35Å; V359-N505 HydrophobicContact CG2-CB 4.23Å; V359-E511 HydrophobicContact CG1-CG 4.05Å; V359-E511 HydrophobicContact CG2-CB 4.13Å; V359-E511 HydrophobicContact CG2-CG 3.87Å
360K97.4Very high97.6Very high50 Ų5031 Ų3122%0.21716%0.159CC..EExtended strand (participates in β ladder)trans-130.5140.6175.4-60.9162-58.8-152.80110.4L356 K357 D358 L381 G382 F455L356-K360 CarbonylContact C-O 2.94Å; L356-K360 WeakPolarHBondContact CA-O 3.2Å; K357-K360 PolarHBondContact N-O 2.83Å; K357-K360 PolarHBondContact O-N 2.83Å; D358-K360 VanDerWaalsContact C-N 3.28Å; D358-K360 PolarHBondContact O-N 3.13Å; K360-L381 HydrophobicContact CD-CD2 4.12Å; K360-G382 WeakPolarHBondContact CA-O 3.45Å; K360-F455 HydrophobicContact CG-CZ 4.18Å
361S97.4Very high97.6Very high9 Ų929.6 Ų29.66%0.06316%0.155CC..EExtended strand (participates in β ladder)trans-74.7144.5-177.2-62.80000112.5R355 G382 Y383 V384R355-S361 CarbonylContact O-C 3.57Å; R355-S361 VanDerWaalsContact O-CA 3.25Å; R355-S361 WeakPolarHBondContact O-CA 3.12Å; S361-G382 PolarHBondContact N-O 2.92Å; S361-Y383 WeakPolarHBondContact OG-CA 3.06Å; S361-Y383 VanDerWaalsContact OG-CD2 3.29Å; S361-Y383 WeakPolarHBondContact OG-CD2 2.98Å; S361-V384 PolarHBondContact OG-N 2.86Å
362C96.5Very high97.6Very high63 Ų6334.6 Ų34.643%0.42618%0.179SC..EExtended strand (participates in β ladder)trans-133.2136168.6-61.20000108.1R355R355-C362 PolarHBondContact N-O 3.18Å; R355-C362 PolarHBondContact O-N 3.36Å
363L97.5Very high97.6Very high5 Ų539.4 Ų39.43%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-116.2145.3-177.7-73.1173.9000111.1V352 I353 C354 I377 I379 V384 V387 I398V352-L363 HydrophobicContact CG1-CD2 4.18Å; I353-L363 WeakPolarHBondContact O-CA 3.38Å; C354-L363 HydrophobicContact CB-CD2 3.79Å; L363-I377 HydrophobicContact CB-CB 3.74Å; L363-I377 HydrophobicContact CB-CD1 4.25Å; L363-I377 HydrophobicContact CB-CG1 4.33Å; L363-I377 HydrophobicContact CB-CG2 4.37Å; L363-I377 HydrophobicContact CD1-CG2 4.36Å; L363-I377 PolarHBondContact O-N 3.49Å; L363-I379 HydrophobicContact CD1-CD1 4.01Å; L363-V384 HydrophobicContact CD1-CG2 3.76Å; L363-V384 HydrophobicContact CD2-CG1 4.42Å; L363-V384 HydrophobicContact CD2-CG2 4.38Å; L363-V384 HydrophobicContact CG-CG2 4.01Å; L363-V387 HydrophobicContact CD2-CG2 4.3Å; L363-I398 HydrophobicContact CD1-CD1 3.77Å; L363-I398 HydrophobicContact CD1-CG1 4.23Å; L363-I398 HydrophobicContact CD1-CG2 3.98Å
364S97.5Very high97.5Very high5 Ų543.2 Ų43.24%0.03522%0.219CC..EExtended strand (participates in β ladder)trans-149151.8177.350.30000111.1I353 R355 H366 S375I353-S364 PolarHBondContact N-O 3.46Å; I353-S364 PolarHBondContact O-N 2.79Å; I353-S364 VanDerWaalsContact O-N 3.09Å; R355-S364 PolarHBondContact NH1-OG 2.92Å; S364-H366 PolarHBondContact OG-NE2 2.79Å; S364-S375 CarbonylContact C-O 3.55Å; S364-S375 WeakPolarHBondContact CA-O 3.47Å
365V98Very high97.4Very high4 Ų445 Ų452%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-103.5132174-174.70000108.8K350 L351 I374 S375 I377 Y412 F414K350-V365 HydrophobicContact CB-CG1 4.22Å; K350-V365 HydrophobicContact CD-CG1 4.27Å; L351-V365 CarbonylContact O-C 3.48Å; L351-V365 WeakPolarHBondContact O-CA 3.34Å; V365-I374 HydrophobicContact CB-CB 4.45Å; V365-I374 HydrophobicContact CG1-CB 4.45Å; V365-I374 HydrophobicContact CG1-CD1 4.03Å; V365-I374 PolarHBondContact O-N 2.83Å; V365-S375 PolarHBondContact N-O 3.01Å; V365-S375 PolarHBondContact O-N 3.03Å; V365-I377 HydrophobicContact CG2-CD1 3.83Å; V365-I377 HydrophobicContact CG2-CG1 3.95Å; V365-Y412 HydrophobicContact CG2-CE1 3.97Å; V365-F414 HydrophobicContact CG1-CE1 3.82Å; V365-F414 HydrophobicContact CG2-CE1 4.16Å; V365-F414 HydrophobicContact CG2-CZ 4.49Å
366H98.3Very high97.3Very high10 Ų1048.3 Ų48.35%0.04625%0.252CS..EExtended strand (participates in β ladder)trans-125.3154.8177.9-70.3-111.8000111.2I332 K350 L351 I353 S364 G371 E372 K373I332-H366 HydrophobicContact CD1-CB 3.86Å; K350-H366 WeakPolarHBondContact CA-O 3.35Å; L351-H366 HydrophobicContact CB-CB 4.3Å; L351-H366 PolarHBondContact N-O 3.45Å; L351-H366 PolarHBondContact O-N 2.95Å; I353-H366 HydrophobicContact CG1-CB 4.47Å; I353-H366 VanDerWaalsContact CG1-CD2 3.47Å; I353-H366 WeakPolarHBondContact CG1-CD2 3.43Å; S364-H366 PolarHBondContact OG-NE2 2.79Å; H366-G371 PolarHBondContact ND1-O 2.73Å; H366-E372 CarbonylContact C-O 3.53Å; H366-E372 VanDerWaalsContact CA-O 3.24Å; H366-E372 WeakPolarHBondContact CA-O 3.47Å; H366-K373 WeakPolarHBondContact ND1-CA 3.42Å; H366-K373 PolarHBondContact ND1-N 3.29Å
367K97.8Very high97.3Very high75 Ų7548.7 Ų48.733%0.32625%0.254SS..EExtended strand (participates in β ladder)trans-73.7131.2169.1-66.9178.1-173.1163.40109.8L369 G371 E372 I374K367-L369 VanDerWaalsContact C-N 3.34Å; K367-L369 PolarHBondContact O-N 3.1Å; K367-G371 WeakPolarHBondContact O-CA 3.21Å; K367-G371 PolarHBondContact O-N 2.74Å; K367-E372 HydrophobicContact CD-CB 4.33Å; K367-E372 PolarHBondContact N-O 3.24Å; K367-E372 IonicContact NZ-OE1 2.66Å; K367-E372 IonicContact NZ-OE2 2.76Å; K367-E372 PolarHBondContact NZ-OE2 3.2Å; K367-I374 HydrophobicContact CG-CD1 3.69Å; K367-I374 HydrophobicContact CG-CG1 3.84Å
368L97.9Very high97Very high10 Ų1052.2 Ų52.25%0.05228%0.277CS..THydrogen-bonded Turntrans-61.5-40.6176.4176.861.7000112.3T296 E298 V303 L331 D349 L351T296-L368 HydrophobicContact CG2-CD1 3.54Å; T296-L368 HydrophobicContact CG2-CD2 4.12Å; T296-L368 HydrophobicContact CG2-CG 4.49Å; E298-L368 HydrophobicContact CG-CD2 4.17Å; V303-L368 HydrophobicContact CG2-CD1 3.87Å; L331-L368 WeakPolarHBondContact CD2-O 3.45Å; D349-L368 VanDerWaalsContact O-CB 3.27Å; D349-L368 WeakPolarHBondContact O-CB 3.37Å; D349-L368 PolarHBondContact O-N 2.82Å; L351-L368 HydrophobicContact CD1-CD1 3.99Å; L351-L368 HydrophobicContact CD2-CD1 3.94Å; L351-L368 HydrophobicContact CG-CB 4.41Å; L351-L368 HydrophobicContact CG-CD1 3.98Å
369L95.8Very high96.8Very high132 Ų13251.1 Ų51.169%0.69127%0.27SS*.THydrogen-bonded Turntrans-70.3-38.7-174-178.161.7000113.4K367K367-L369 VanDerWaalsContact C-N 3.34Å; K367-L369 PolarHBondContact O-N 3.1Å
370T96.9Very high96.3Very high77 Ų7754.6 Ų54.647%0.47229%0.294SS..THydrogen-bonded Turntrans-117.6-12.7-169.963.50000114.1L331 E372L331-T370 VanDerWaalsContact CD1-C 3.5Å; T370-E372 PolarHBondContact O-N 3.47Å; T370-E372 VanDerWaalsContact O-N 3.16Å; T370-E372 WeakPolarHBondContact OG1-CB 3.21Å; T370-E372 PolarHBondContact OG1-N 3.1Å
371G97.8Very high95.8Very high9 Ų958.9 Ų58.99%0.09332%0.319CS..  trans70.11-173.700000114.6L331 H366 K367 K373L331-G371 VanDerWaalsContact CD1-N 3.31Å; L331-G371 WeakPolarHBondContact O-CA 3.46Å; H366-G371 PolarHBondContact ND1-O 2.73Å; K367-G371 WeakPolarHBondContact O-CA 3.21Å; K367-G371 PolarHBondContact O-N 2.74Å; G371-K373 PolarHBondContact O-N 2.78Å
372E97.8Very high95.7Very high106 Ų10658.5 Ų58.550%0.49532%0.317SS..  trans-60.3130.1179.3-174.1-167.8166.900110.7H366 K367 T370 I374H366-E372 CarbonylContact C-O 3.53Å; H366-E372 VanDerWaalsContact CA-O 3.24Å; H366-E372 WeakPolarHBondContact CA-O 3.47Å; K367-E372 HydrophobicContact CD-CB 4.33Å; K367-E372 PolarHBondContact N-O 3.24Å; K367-E372 IonicContact NZ-OE1 2.66Å; K367-E372 IonicContact NZ-OE2 2.76Å; K367-E372 PolarHBondContact NZ-OE2 3.2Å; T370-E372 PolarHBondContact O-N 3.47Å; T370-E372 VanDerWaalsContact O-N 3.16Å; T370-E372 WeakPolarHBondContact OG1-CB 3.21Å; T370-E372 PolarHBondContact OG1-N 3.1Å; E372-I374 PolarHBondContact O-N 2.95Å
373K97.9Very high95.7Very high103 Ų10358 Ų5845%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-68.9124.3174.6-166.417684.5161.10109.8H366 G371 D376H366-K373 WeakPolarHBondContact ND1-CA 3.42Å; H366-K373 PolarHBondContact ND1-N 3.29Å; G371-K373 PolarHBondContact O-N 2.78Å; K373-D376 IonicContact NZ-OD1 3.42Å; K373-D376 PolarHBondContact NZ-OD1 3.03Å; K373-D376 IonicContact NZ-OD2 3.85Å; K373-D376 PolarHBondContact NZ-OD2 2.77Å
374I96.8Very high95.8Very high80 Ų8058 Ų5841%0.4131%0.307SS..EExtended strand (participates in β ladder)trans-85.9-51.7175.5-64167.1000110K350 V365 K367 E372K350-I374 HydrophobicContact CD-CD1 3.49Å; K350-I374 VanDerWaalsContact CD-CD1 3.49Å; V365-I374 HydrophobicContact CB-CB 4.45Å; V365-I374 HydrophobicContact CG1-CB 4.45Å; V365-I374 HydrophobicContact CG1-CD1 4.03Å; V365-I374 PolarHBondContact O-N 2.83Å; K367-I374 HydrophobicContact CG-CD1 3.69Å; K367-I374 HydrophobicContact CG-CG1 3.84Å; E372-I374 PolarHBondContact O-N 2.95Å
375S96.2Very high95.7Very high39 Ų3959.9 Ų59.927%0.27332%0.322SS..EExtended strand (participates in β ladder)trans-159.5159.9-17661.10000111.5S364 V365S364-S375 CarbonylContact C-O 3.55Å; S364-S375 WeakPolarHBondContact CA-O 3.47Å; V365-S375 PolarHBondContact N-O 3.01Å; V365-S375 PolarHBondContact O-N 3.03Å
376D96.1Very high95.5Very high103 Ų10363.8 Ų63.855%0.55134%0.343SS*.EExtended strand (participates in β ladder)trans-86.3149.9162.1-61.2-51.5000109.2K373K373-D376 IonicContact NZ-OD1 3.42Å; K373-D376 PolarHBondContact NZ-OD1 3.03Å; K373-D376 IonicContact NZ-OD2 3.85Å; K373-D376 PolarHBondContact NZ-OD2 2.77Å
377I96.2Very high95.4Very high10 Ų1063.7 Ų63.75%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-99.7113.4170.9-60.4178.5000106.8V352 L363 V365 I379 I398 Y412 L421V352-I377 HydrophobicContact CG1-CD1 4.31Å; L363-I377 HydrophobicContact CB-CB 3.74Å; L363-I377 HydrophobicContact CB-CD1 4.25Å; L363-I377 HydrophobicContact CB-CG1 4.33Å; L363-I377 HydrophobicContact CB-CG2 4.37Å; L363-I377 HydrophobicContact CD1-CG2 4.36Å; L363-I377 PolarHBondContact O-N 3.49Å; V365-I377 HydrophobicContact CG2-CD1 3.83Å; V365-I377 HydrophobicContact CG2-CG1 3.95Å; I377-I379 PolarHBondContact O-N 2.84Å; I377-I398 HydrophobicContact CD1-CD1 4.46Å; I377-Y412 HydrophobicContact CB-CE2 4.48Å; I377-Y412 HydrophobicContact CD1-CD1 4.43Å; I377-Y412 HydrophobicContact CD1-CD2 4.15Å; I377-Y412 HydrophobicContact CD1-CE1 4.24Å; I377-Y412 HydrophobicContact CD1-CE2 3.95Å; I377-Y412 HydrophobicContact CD1-CG 4.37Å; I377-Y412 HydrophobicContact CG1-CD2 4.41Å; I377-Y412 HydrophobicContact CG1-CE2 3.79Å; I377-Y412 HydrophobicContact CG2-CD2 4.25Å; I377-Y412 HydrophobicContact CG2-CE2 4.09Å; I377-L421 HydrophobicContact CG2-CD1 3.82Å; I377-L421 HydrophobicContact CG2-CD2 3.76Å; I377-L421 HydrophobicContact CG2-CG 3.71Å
378D92.6Very high95.3Very high155 Ų15560.9 Ų60.983%0.82933%0.332SS*.  trans-67.4115.2179.8-172.521.8000110.3L421D378-L421 WeakPolarHBondContact O-CD1 3.47Å
379I91.8Very high95.2Very high28 Ų2861.4 Ų61.414%0.14434%0.34CS..  trans-138.7142-178.5-166.8164.6000109.8L363 I377 V384 I398 F400 L421L363-I379 HydrophobicContact CD1-CD1 4.01Å; I377-I379 PolarHBondContact O-N 2.84Å; I379-V384 HydrophobicContact CD1-CG2 3.58Å; I379-I398 HydrophobicContact CD1-CG2 4.08Å; I379-F400 HydrophobicContact CD1-CB 4.23Å; I379-F400 HydrophobicContact CD1-CD2 3.63Å; I379-F400 HydrophobicContact CD1-CE2 4.37Å; I379-F400 HydrophobicContact CD1-CG 4.22Å; I379-F400 HydrophobicContact CG1-CD2 3.82Å; I379-F400 HydrophobicContact CG1-CE2 4.14Å; I379-F400 HydrophobicContact CG1-CG 4.46Å; I379-L421 HydrophobicContact CB-CD1 4.22Å; I379-L421 HydrophobicContact CD1-CD1 4.45Å; I379-L421 HydrophobicContact CG1-CD1 4.3Å
380S88.6Confident95.2Very high73 Ų7357.2 Ų57.251%0.5132%0.315SS..  trans-57.3158.4177.7-630000112.5G382 F400S380-G382 PolarHBondContact O-N 3.13Å; S380-F400 WeakPolarHBondContact O-CE2 3.23Å
381L87.1Confident95.2Very high141 Ų14154.9 Ų54.974%0.73830%0.298SS*.SBendtrans-64.1119.2174.7-62.6170.4000110.9K360K360-L381 HydrophobicContact CD-CD2 4.12Å
382G94.2Very high95.1Very high1 Ų159.1 Ų59.11%0.0131%0.311CS..SBendtrans169.6-145.2-179.700000110.3K360 S361 S380K360-G382 WeakPolarHBondContact CA-O 3.45Å; S361-G382 PolarHBondContact N-O 2.92Å; S380-G382 PolarHBondContact O-N 3.13Å
383Y97.6Very high94.9Very high53 Ų5354.7 Ų54.721%0.20829%0.291CS..EExtended strand (participates in β ladder)trans-128.8136.1-178.7-178-119.6000111.1L356 S361 A385 F400 T401 T483 P484L356-Y383 HydrophobicContact CD1-CD2 4.28Å; L356-Y383 HydrophobicContact CD1-CE2 4.5Å; S361-Y383 WeakPolarHBondContact OG-CA 3.06Å; S361-Y383 VanDerWaalsContact OG-CD2 3.29Å; S361-Y383 WeakPolarHBondContact OG-CD2 2.98Å; Y383-A385 HydrophobicContact CD1-CB 4.22Å; Y383-A385 HydrophobicContact CE1-CB 4.15Å; Y383-A385 PolarHBondContact O-N 2.89Å; Y383-F400 WeakPolarHBondContact O-CA 3.3Å; Y383-T401 HydrophobicContact CD1-CG2 4.29Å; Y383-T401 PolarHBondContact N-O 2.87Å; Y383-T401 PolarHBondContact O-N 3.4Å; Y383-T483 VanDerWaalsContact CD1-OG1 3.23Å; Y383-T483 WeakPolarHBondContact CD1-OG1 3.17Å; Y383-T483 VanDerWaalsContact CD2-CB 3.47Å; Y383-T483 HydrophobicContact CD2-CG2 3.66Å; Y383-T483 WeakPolarHBondContact CD2-OG1 3.37Å; Y383-T483 WeakPolarHBondContact CE1-OG1 3.44Å; Y383-T483 HydrophobicContact CE2-CG2 3.63Å; Y383-T483 HydrophobicContact CG-CG2 4.3Å; Y383-T483 VanDerWaalsContact CG-OG1 3.29Å; Y383-P484 WeakPolarHBondContact CB-O 3.38Å
384V97.8Very high94.8Very high5 Ų553 Ų533%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-88.9101.7168.4174.20000107.4S361 L363 I379 N386 V387 I398 H399S361-V384 PolarHBondContact OG-N 2.86Å; L363-V384 HydrophobicContact CD1-CG2 3.76Å; L363-V384 HydrophobicContact CD2-CG1 4.42Å; L363-V384 HydrophobicContact CD2-CG2 4.38Å; L363-V384 HydrophobicContact CG-CG2 4.01Å; I379-V384 HydrophobicContact CD1-CG2 3.58Å; V384-N386 VanDerWaalsContact C-N 3.35Å; V384-V387 HydrophobicContact CG1-CG2 3.71Å; V384-I398 HydrophobicContact CG1-CG2 3.88Å; V384-I398 HydrophobicContact CG2-CG2 4.14Å; V384-H399 CarbonylContact C-O 3.3Å; V384-H399 WeakPolarHBondContact CA-O 3.42Å
385A95.9Very high94.7Very high43 Ų4350.3 Ų50.336%0.35527%0.272SS..EExtended strand (participates in β ladder)trans-69.6-32.4-177.900000113.1Y383 H399 T401Y383-A385 HydrophobicContact CD1-CB 4.22Å; Y383-A385 HydrophobicContact CE1-CB 4.15Å; Y383-A385 PolarHBondContact O-N 2.89Å; A385-H399 HydrophobicContact CB-CB 4.48Å; A385-H399 PolarHBondContact N-O 2.78Å; A385-T401 HydrophobicContact CB-CG2 4.3Å
386N94.2Very high94.8Very high86 Ų8648.5 Ų48.546%0.4626%0.26SS..EExtended strand (participates in β ladder)trans-160.8154.3175.5-164.210000111.2V384 H399V384-N386 VanDerWaalsContact C-N 3.35Å; N386-H399 PolarHBondContact O-N 3.08Å
387V96.9Very high94.9Very high8 Ų843.8 Ų43.85%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-123.3124.3165-177.40000107.6V344 V352 L363 V384 A396 F397 I398V344-V387 HydrophobicContact CB-CG1 4.44Å; V344-V387 HydrophobicContact CG2-CB 4.12Å; V344-V387 HydrophobicContact CG2-CG1 4.29Å; V352-V387 HydrophobicContact CB-CG1 4.4Å; V352-V387 HydrophobicContact CG1-CG1 4.1Å; L363-V387 HydrophobicContact CD2-CG2 4.3Å; V384-V387 HydrophobicContact CG1-CG2 3.71Å; V387-A396 HydrophobicContact CG1-CB 4.42Å; V387-F397 CarbonylContact C-O 3.29Å; V387-F397 VanDerWaalsContact CA-O 3.3Å; V387-F397 WeakPolarHBondContact CA-O 3.2Å; V387-I398 HydrophobicContact CG1-CG1 4.28Å; V387-I398 HydrophobicContact CG2-CG1 4.14Å
388T96.1Very high94.9Very high16 Ų1643.3 Ų43.310%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-112.1149.1173.466.30000110.3C80 P81 L82 A396 F397C80-T388 HydrophobicContact CB-CG2 3.68Å; C80-T388 WeakPolarHBondContact CB-OG1 3.25Å; P81-T388 PolarHBondContact O-OG1 2.93Å; L82-T388 HydrophobicContact CD2-CG2 3.74Å; T388-A396 CarbonylContact O-C 3.58Å; T388-A396 VanDerWaalsContact O-CA 3.25Å; T388-A396 WeakPolarHBondContact O-CA 3.15Å; T388-F397 PolarHBondContact N-O 2.91Å; T388-F397 PolarHBondContact O-N 2.94Å
389G95.2Very high95.2Very high21 Ų2138.1 Ų38.122%0.21620%0.203CC..  trans160.9140.2-178.300000107.5V344V344-G389 WeakPolarHBondContact CG1-O 3.44Å
390R95.4Very high95.5Very high45 Ų4537 Ų3717%0.1720%0.197CC..  trans-102.3155.8174.6-57.5176.5-59.3-1785.5108.6K83 Y84 C345 R392 D393K83-R390 PolarHBondContact O-NE 3.37Å; K83-R390 PolarHBondContact O-NH1 3.15Å; K83-R390 PolarHBondContact O-NH2 2.98Å; Y84-R390 VanDerWaalsContact CD1-NH1 3.35Å; C345-R390 CarbonylContact O-C 3.56Å; C345-R390 VanDerWaalsContact O-C 3.3Å; R390-R392 HydrophobicContact CB-CG 4.44Å; R390-R392 PolarHBondContact O-N 3.25Å; R390-R392 VanDerWaalsContact O-N 3.11Å; R390-D393 WeakPolarHBondContact CB-OD2 3.35Å; R390-D393 WeakPolarHBondContact CG-OD2 3.39Å; R390-D393 IonicContact CZ-OD1 2.86Å; R390-D393 IonicContact CZ-OD2 3.07Å; R390-D393 PolarHBondContact N-OD2 3.24Å; R390-D393 IonicContact NE-OD1 3.53Å; R390-D393 PolarHBondContact NE-OD1 3.44Å; R390-D393 IonicContact NE-OD2 3.94Å; R390-D393 PolarHBondContact NE-OD2 3.39Å; R390-D393 IonicContact NH2-OD1 3.48Å; R390-D393 PolarHBondContact NH2-OD1 3.18Å; R390-D393 IonicContact NH2-OD2 3.07Å; R390-D393 PolarHBondContact NH2-OD2 3.2Å; R390-D393 PolarHBondContact O-N 3.23Å
391K96.8Very high95.9Very high27 Ų2734.2 Ų34.212%0.11718%0.177CC..THydrogen-bonded Turntrans-46.9-44.8174.6-179173.9-173.9166.10112.7D244 T296 N297 E298 C345 N347 E348 D393D244-K391 HydrophobicContact CB-CD 4.37Å; T296-K391 WeakPolarHBondContact OG1-CD 3.39Å; N297-K391 PolarHBondContact O-NZ 3.25Å; E298-K391 VanDerWaalsContact CD-NZ 3.33Å; E298-K391 WeakPolarHBondContact OE1-CE 3.46Å; E298-K391 IonicContact OE1-NZ 2.91Å; E298-K391 PolarHBondContact OE1-NZ 2.87Å; C345-K391 WeakPolarHBondContact O-CA 3.3Å; C345-K391 PolarHBondContact O-N 3.38Å; C345-K391 VanDerWaalsContact O-N 3.09Å; N347-K391 PolarHBondContact N-O 3.13Å; E348-K391 WeakPolarHBondContact CA-O 3.23Å; E348-K391 PolarHBondContact N-O 2.79Å; E348-K391 WeakPolarHBondContact O-CE 3.36Å; K391-D393 VanDerWaalsContact C-N 3.33Å; K391-D393 PolarHBondContact O-N 3.1Å
392R95Very high96.4Very high98 Ų9828.1 Ų28.137%0.3715%0.146SC..THydrogen-bonded Turntrans-78.2-8.8-17970.6-179.7-179.1-177.9-2.1116.3V136 E137 E348 R390V136-R392 PolarHBondContact O-NH2 3.07Å; E137-R392 IonicContact OE1-NH1 3.65Å; E137-R392 PolarHBondContact OE1-NH1 2.74Å; E137-R392 IonicContact OE2-NH1 2.67Å; E348-R392 WeakPolarHBondContact OE1-CA 3.43Å; R390-R392 HydrophobicContact CB-CG 4.44Å; R390-R392 PolarHBondContact O-N 3.25Å; R390-R392 VanDerWaalsContact O-N 3.11Å
393D94.8Very high96.5Very high13 Ų1328.8 Ų28.87%0.0715%0.149CC..  trans-91.7143.2-179.3-61.4-33.3000109.8V346 N347 R390 K391 E395V346-D393 VanDerWaalsContact CG1-O 3.27Å; V346-D393 WeakPolarHBondContact CG1-O 3.49Å; N347-D393 WeakPolarHBondContact CA-O 3.19Å; N347-D393 PolarHBondContact N-O 3.01Å; R390-D393 WeakPolarHBondContact CB-OD2 3.35Å; R390-D393 WeakPolarHBondContact CG-OD2 3.39Å; R390-D393 IonicContact CZ-OD1 2.86Å; R390-D393 IonicContact CZ-OD2 3.07Å; R390-D393 PolarHBondContact N-OD2 3.24Å; R390-D393 IonicContact NE-OD1 3.53Å; R390-D393 PolarHBondContact NE-OD1 3.44Å; R390-D393 IonicContact NE-OD2 3.94Å; R390-D393 PolarHBondContact NE-OD2 3.39Å; R390-D393 IonicContact NH2-OD1 3.48Å; R390-D393 PolarHBondContact NH2-OD1 3.18Å; R390-D393 IonicContact NH2-OD2 3.07Å; R390-D393 PolarHBondContact NH2-OD2 3.2Å; R390-D393 PolarHBondContact O-N 3.23Å; K391-D393 VanDerWaalsContact C-N 3.33Å; K391-D393 PolarHBondContact O-N 3.1Å; D393-E395 VanDerWaalsContact C-N 3.29Å
394D95.4Very high96.5Very high68 Ų6827.7 Ų27.736%0.36415%0.146SC..SBendtrans-86.85.3177.554.8-7.8000113.3K83 F414K83-D394 IonicContact NZ-OD1 3.54Å; D394-F414 WeakPolarHBondContact O-CA 3.27Å; D394-F414 VanDerWaalsContact O-CB 3.28Å; D394-F414 WeakPolarHBondContact O-CB 3.28Å; D394-F414 WeakPolarHBondContact O-CD2 3.29Å; D394-F414 PolarHBondContact O-N 2.8Å
395E95.3Very high96.4Very high23 Ų2329.2 Ų29.211%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-134.3143.9-177.665.6-171.7148.200111.4K83 Y88 V346 D393 F397 Y412K83-E395 WeakPolarHBondContact CD-OE1 3.49Å; K83-E395 IonicContact NZ-OE1 2.99Å; K83-E395 PolarHBondContact NZ-OE1 3.2Å; Y88-E395 WeakPolarHBondContact CE1-OE1 3.31Å; Y88-E395 PolarHBondContact OH-OE1 2.69Å; V346-E395 WeakPolarHBondContact CG1-O 3.41Å; D393-E395 VanDerWaalsContact C-N 3.29Å; E395-F397 HydrophobicContact CG-CE2 4Å; E395-F397 HydrophobicContact CG-CZ 4.03Å; E395-F397 VanDerWaalsContact OE2-CZ 3.24Å; E395-F397 WeakPolarHBondContact OE2-CZ 3.41Å; E395-Y412 WeakPolarHBondContact CA-O 3.4Å
396A97.3Very high96.4Very high1 Ų128 Ų281%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-116152.8167.500000110.5V346 V387 T388 S411 Y412 F414V346-A396 HydrophobicContact CG1-CB 4.32Å; V346-A396 HydrophobicContact CG2-CB 4.28Å; V387-A396 HydrophobicContact CG1-CB 4.42Å; T388-A396 CarbonylContact O-C 3.58Å; T388-A396 VanDerWaalsContact O-CA 3.25Å; T388-A396 WeakPolarHBondContact O-CA 3.15Å; A396-S411 CarbonylContact O-C 3.57Å; A396-S411 WeakPolarHBondContact O-CA 3.49Å; A396-Y412 PolarHBondContact N-O 2.87Å; A396-Y412 PolarHBondContact O-N 2.97Å; A396-F414 HydrophobicContact CB-CE2 3.97Å
397F97.8Very high96.5Very high4 Ų424.1 Ų24.12%0.01812%0.124CC..EExtended strand (participates in β ladder)trans-118.8139.5171.2-54.8-83.2000110.6C80 P81 Y88 L108 V387 T388 E395 Y410C80-F397 HydrophobicContact CB-CB 4Å; P81-F397 HydrophobicContact CB-CD1 4.33Å; P81-F397 HydrophobicContact CB-CD2 4.02Å; P81-F397 HydrophobicContact CB-CE1 4.22Å; P81-F397 HydrophobicContact CB-CE2 3.9Å; P81-F397 HydrophobicContact CB-CG 4.23Å; P81-F397 HydrophobicContact CB-CZ 4Å; P81-F397 HydrophobicContact CG-CD1 3.75Å; P81-F397 HydrophobicContact CG-CD2 4.29Å; P81-F397 HydrophobicContact CG-CE1 3.82Å; P81-F397 HydrophobicContact CG-CE2 4.36Å; P81-F397 HydrophobicContact CG-CG 4Å; P81-F397 HydrophobicContact CG-CZ 4.13Å; P81-F397 WeakPolarHBondContact O-CD2 3.38Å; Y88-F397 HydrophobicContact CD1-CZ 4.42Å; Y88-F397 HydrophobicContact CE1-CE2 4.29Å; Y88-F397 AromaticContact CE1-CZ 3.96Å; Y88-F397 HydrophobicContact CE1-CZ 3.96Å; L108-F397 HydrophobicContact CD1-CE1 3.57Å; L108-F397 HydrophobicContact CD1-CZ 3.78Å; V387-F397 CarbonylContact C-O 3.29Å; V387-F397 VanDerWaalsContact CA-O 3.3Å; V387-F397 WeakPolarHBondContact CA-O 3.2Å; T388-F397 PolarHBondContact N-O 2.91Å; T388-F397 PolarHBondContact O-N 2.94Å; E395-F397 HydrophobicContact CG-CE2 4Å; E395-F397 HydrophobicContact CG-CZ 4.03Å; E395-F397 VanDerWaalsContact OE2-CZ 3.24Å; E395-F397 WeakPolarHBondContact OE2-CZ 3.41Å; F397-Y410 CarbonylContact C-O 3.59Å; F397-Y410 WeakPolarHBondContact CA-O 3.47Å
398I97.9Very high96.6Very high1 Ų124.5 Ų24.51%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-122.4124.4-175.8-66.3155.4000108.7L363 I377 I379 V384 V387 I409 Y410 L421L363-I398 HydrophobicContact CD1-CD1 3.77Å; L363-I398 HydrophobicContact CD1-CG1 4.23Å; L363-I398 HydrophobicContact CD1-CG2 3.98Å; I377-I398 HydrophobicContact CD1-CD1 4.46Å; I379-I398 HydrophobicContact CD1-CG2 4.08Å; V384-I398 HydrophobicContact CG1-CG2 3.88Å; V384-I398 HydrophobicContact CG2-CG2 4.14Å; V387-I398 HydrophobicContact CG1-CG1 4.28Å; V387-I398 HydrophobicContact CG2-CG1 4.14Å; I398-I409 WeakPolarHBondContact O-CA 3.45Å; I398-Y410 PolarHBondContact N-O 3.2Å; I398-Y410 PolarHBondContact O-N 2.71Å; I398-L421 HydrophobicContact CD1-CD2 3.45Å; I398-L421 VanDerWaalsContact CD1-CD2 3.45Å
399H97.7Very high96.6Very high46 Ų4623.9 Ų23.921%0.21312%0.122CC..EExtended strand (participates in β ladder)trans-96.9111.1172.3-177-166.9000109.4C80 V384 A385 N386 I409C80-H399 VanDerWaalsContact SG-CB 3.55Å; C80-H399 PolarHBondContact SG-N 3Å; V384-H399 CarbonylContact C-O 3.3Å; V384-H399 WeakPolarHBondContact CA-O 3.42Å; A385-H399 HydrophobicContact CB-CB 4.48Å; A385-H399 PolarHBondContact N-O 2.78Å; N386-H399 PolarHBondContact O-N 3.08Å; H399-I409 HydrophobicContact CB-CD1 3.77Å; H399-I409 VanDerWaalsContact CD2-CD1 3.41Å; H399-I409 WeakPolarHBondContact CD2-CD1 3.24Å
400F97.9Very high96.8Very high4 Ų424.1 Ų24.12%0.01812%0.116CC..EExtended strand (participates in β ladder)trans-103.2137.7177.4177-98.6000111.4I379 S380 Y383 T405 G407 I408 Y410I379-F400 HydrophobicContact CD1-CB 4.23Å; I379-F400 HydrophobicContact CD1-CD2 3.63Å; I379-F400 HydrophobicContact CD1-CE2 4.37Å; I379-F400 HydrophobicContact CD1-CG 4.22Å; I379-F400 HydrophobicContact CG1-CD2 3.82Å; I379-F400 HydrophobicContact CG1-CE2 4.14Å; I379-F400 HydrophobicContact CG1-CG 4.46Å; S380-F400 WeakPolarHBondContact O-CE2 3.23Å; Y383-F400 WeakPolarHBondContact O-CA 3.3Å; F400-T405 HydrophobicContact CD1-CG2 4.13Å; F400-T405 HydrophobicContact CE1-CG2 4.04Å; F400-G407 CarbonylContact O-C 3.56Å; F400-G407 WeakPolarHBondContact O-CA 3.46Å; F400-I408 HydrophobicContact CB-CB 4.46Å; F400-I408 HydrophobicContact CD1-CD1 4.25Å; F400-I408 HydrophobicContact CD1-CG1 4.42Å; F400-I408 PolarHBondContact N-O 2.61Å; F400-I408 PolarHBondContact O-N 3.11Å; F400-Y410 HydrophobicContact CB-CD2 4.19Å; F400-Y410 HydrophobicContact CB-CE2 3.75Å; F400-Y410 HydrophobicContact CG-CE2 4.29Å
401T97.8Very high96.8Very high14 Ų1422.5 Ų22.59%0.08611%0.112CC..EExtended strand (participates in β ladder)trans-142160.5172.8-170.60000110.7Y383 A385 T405 P406 F486Y383-T401 HydrophobicContact CD1-CG2 4.29Å; Y383-T401 PolarHBondContact N-O 2.87Å; Y383-T401 PolarHBondContact O-N 3.4Å; A385-T401 HydrophobicContact CB-CG2 4.3Å; T401-T405 PolarHBondContact OG1-O 3.01Å; T401-T405 VanDerWaalsContact OG1-O 3.1Å; T401-P406 PolarHBondContact OG1-O 3Å; T401-F486 PolarHBondContact OG1-N 2.86Å
402S97.5Very high96.8Very high14 Ų1421.7 Ų21.710%0.09811%0.108CC..EExtended strand (participates in β ladder)trans-156.6174.4174-169.30000109.5L404 T405 S485 F486S402-L404 PolarHBondContact O-N 2.75Å; S402-L404 VanDerWaalsContact O-N 3.11Å; S402-T405 PolarHBondContact N-O 3.46Å; S402-T405 VanDerWaalsContact N-O 3.09Å; S402-T405 PolarHBondContact O-N 2.79Å; S402-T405 VanDerWaalsContact O-N 3.11Å; S402-T405 VanDerWaalsContact O-O 3.08Å; S402-S485 CarbonylContact O-C 3.57Å; S402-F486 WeakPolarHBondContact O-CA 3.36Å; S402-F486 WeakPolarHBondContact O-CB 3.37Å; S402-F486 PolarHBondContact O-N 3.21Å; S402-F486 VanDerWaalsContact O-N 3.15Å
403F97.1Very high96.9Very high14 Ų1419.3 Ų19.36%0.06110%0.103CC..THydrogen-bonded Turntrans-59.1-28-178.4-62.1-65.4000114V439 F455 I457 P484 S485 F486 V503F403-V439 HydrophobicContact CB-CG2 4Å; F403-V439 HydrophobicContact CD2-CG1 3.83Å; F403-V439 HydrophobicContact CD2-CG2 4.14Å; F403-V439 HydrophobicContact CE2-CG1 4.3Å; F403-F455 HydrophobicContact CE2-CB 3.57Å; F403-F455 HydrophobicContact CE2-CD1 4.03Å; F403-F455 AromaticContact CE2-CD2 3.8Å; F403-F455 HydrophobicContact CE2-CD2 3.8Å; F403-F455 HydrophobicContact CE2-CE2 4.46Å; F403-F455 AromaticContact CE2-CG 3.53Å; F403-F455 HydrophobicContact CE2-CG 3.53Å; F403-F455 HydrophobicContact CZ-CB 3.91Å; F403-F455 AromaticContact CZ-CD2 3.95Å; F403-F455 HydrophobicContact CZ-CD2 3.95Å; F403-F455 HydrophobicContact CZ-CG 4.04Å; F403-I457 HydrophobicContact CB-CG1 3.81Å; F403-I457 HydrophobicContact CD1-CD1 3.98Å; F403-I457 HydrophobicContact CD1-CG1 4.19Å; F403-I457 HydrophobicContact CD2-CD1 4.13Å; F403-I457 HydrophobicContact CD2-CG1 3.99Å; F403-I457 HydrophobicContact CE1-CD1 4.16Å; F403-I457 HydrophobicContact CE2-CD1 4.3Å; F403-I457 HydrophobicContact CG-CD1 3.96Å; F403-I457 HydrophobicContact CG-CG1 3.73Å; F403-I457 HydrophobicContact CZ-CD1 4.3Å; F403-P484 HydrophobicContact CD2-CB 3.99Å; F403-P484 HydrophobicContact CE2-CB 3.72Å; F403-P484 HydrophobicContact CE2-CG 3.94Å; F403-P484 HydrophobicContact CZ-CB 4.14Å; F403-P484 HydrophobicContact CZ-CG 4.38Å; F403-S485 WeakPolarHBondContact CD1-O 3.34Å; F403-F486 WeakPolarHBondContact O-CD2 3.1Å; F403-V503 HydrophobicContact CE1-CG2 3.91Å; F403-V503 HydrophobicContact CZ-CB 4.3Å; F403-V503 HydrophobicContact CZ-CG2 4.12Å
404L96.5Very high96.9Very high31 Ų3119.8 Ų19.816%0.16211%0.105CC..THydrogen-bonded Turntrans-11922.4178.6-57.8177000112S402 L434 F437 V439 I457S402-L404 PolarHBondContact O-N 2.75Å; S402-L404 VanDerWaalsContact O-N 3.11Å; L404-L434 WeakPolarHBondContact O-CD1 3.37Å; L404-F437 HydrophobicContact CD1-CB 3.68Å; L404-F437 HydrophobicContact CD2-CB 3.74Å; L404-F437 HydrophobicContact CD2-CD2 4.26Å; L404-F437 HydrophobicContact CD2-CG 4.29Å; L404-F437 HydrophobicContact CG-CB 4.39Å; L404-V439 HydrophobicContact CD1-CG2 3.98Å; L404-V439 HydrophobicContact CG-CG2 4.08Å; L404-I457 HydrophobicContact CD2-CG2 4.18Å
405T96.4Very high96.8Very high37 Ų3720.2 Ų20.223%0.22711%0.113CC..EExtended strand (participates in β ladder)trans-138.8102.1177.9-55.10000108.8F400 T401 S402 G407 I408F400-T405 HydrophobicContact CD1-CG2 4.13Å; F400-T405 HydrophobicContact CE1-CG2 4.04Å; T401-T405 PolarHBondContact OG1-O 3.01Å; T401-T405 VanDerWaalsContact OG1-O 3.1Å; S402-T405 PolarHBondContact N-O 3.46Å; S402-T405 VanDerWaalsContact N-O 3.09Å; S402-T405 PolarHBondContact O-N 2.79Å; S402-T405 VanDerWaalsContact O-N 3.11Å; S402-T405 VanDerWaalsContact O-O 3.08Å; T405-G407 PolarHBondContact O-N 3.23Å; T405-I408 HydrophobicContact CG2-CD1 3.78Å; T405-I408 HydrophobicContact CG2-CG1 3.74Å
406P96Very high96.7Very high17 Ų1724.2 Ų24.211%0.1113%0.131CC..EExtended strand (participates in β ladder)trans-53.1-51.3-176-27.434.6000113.4Y75 T401 I429 F486Y75-P406 HydrophobicContact CD2-CB 4.36Å; Y75-P406 HydrophobicContact CE2-CB 3.74Å; T401-P406 PolarHBondContact OG1-O 3Å; P406-I429 HydrophobicContact CG-CD1 4Å; P406-I429 HydrophobicContact CG-CG1 3.8Å; P406-F486 HydrophobicContact CB-CD1 3.94Å; P406-F486 HydrophobicContact CB-CE1 4.32Å; P406-F486 HydrophobicContact CB-CG 4.1Å; P406-F486 HydrophobicContact CG-CD1 4.18Å; P406-F486 HydrophobicContact CG-CD2 4.13Å; P406-F486 HydrophobicContact CG-CE1 4.21Å; P406-F486 HydrophobicContact CG-CE2 4.18Å; P406-F486 HydrophobicContact CG-CG 4.17Å; P406-F486 HydrophobicContact CG-CZ 4.26Å
407G96.6Very high96.2Very high4 Ų429.3 Ų29.34%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-178.9137.6176.600000111.1F400 T405 S427F400-G407 CarbonylContact O-C 3.56Å; F400-G407 WeakPolarHBondContact O-CA 3.46Å; T405-G407 PolarHBondContact O-N 3.23Å; G407-S427 PolarHBondContact O-N 3.45Å
408I97.7Very high95.7Very high17 Ų1736.6 Ų36.69%0.08720%0.201CC..EExtended strand (participates in β ladder)trans-126.4128.6169.4-50.5179.2000107.5F400 T405 Y410 V423 E426F400-I408 HydrophobicContact CB-CB 4.46Å; F400-I408 HydrophobicContact CD1-CD1 4.25Å; F400-I408 HydrophobicContact CD1-CG1 4.42Å; F400-I408 PolarHBondContact N-O 2.61Å; F400-I408 PolarHBondContact O-N 3.11Å; T405-I408 HydrophobicContact CG2-CD1 3.78Å; T405-I408 HydrophobicContact CG2-CG1 3.74Å; I408-Y410 HydrophobicContact CB-CD2 4.46Å; I408-Y410 HydrophobicContact CB-CE2 3.84Å; I408-Y410 WeakPolarHBondContact CD1-OH 3.45Å; I408-Y410 HydrophobicContact CG2-CD1 4.19Å; I408-Y410 HydrophobicContact CG2-CD2 4.05Å; I408-Y410 HydrophobicContact CG2-CE1 3.76Å; I408-Y410 HydrophobicContact CG2-CE2 3.59Å; I408-Y410 HydrophobicContact CG2-CG 4.33Å; I408-Y410 VanDerWaalsContact CG2-CZ 3.42Å; I408-V423 HydrophobicContact CG2-CG1 4.04Å; I408-V423 HydrophobicContact CG2-CG2 4.07Å; I408-E426 HydrophobicContact CG1-CG 4.26Å
409I97.6Very high95.4Very high3 Ų337.8 Ų37.82%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-102.2116172.8-52.4-56.7000107.7I398 H399 I424 R425I398-I409 WeakPolarHBondContact O-CA 3.45Å; H399-I409 HydrophobicContact CB-CD1 3.77Å; H399-I409 VanDerWaalsContact CD2-CD1 3.41Å; H399-I409 WeakPolarHBondContact CD2-CD1 3.24Å; I409-I424 HydrophobicContact CG2-CB 4.49Å; I409-I424 PolarHBondContact O-N 2.94Å; I409-R425 HydrophobicContact CB-CB 4.22Å; I409-R425 HydrophobicContact CG1-CB 4.24Å; I409-R425 PolarHBondContact N-O 2.8Å; I409-R425 PolarHBondContact O-N 3.13Å
410Y97.5Very high95.1Very high25 Ų2543.6 Ų43.610%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-100.4149.4173.8-60.2-80.9000111.2F397 I398 F400 I408 L421 E422 V423F397-Y410 CarbonylContact C-O 3.59Å; F397-Y410 WeakPolarHBondContact CA-O 3.47Å; I398-Y410 PolarHBondContact N-O 3.2Å; I398-Y410 PolarHBondContact O-N 2.71Å; F400-Y410 HydrophobicContact CB-CD2 4.19Å; F400-Y410 HydrophobicContact CB-CE2 3.75Å; F400-Y410 HydrophobicContact CG-CE2 4.29Å; I408-Y410 HydrophobicContact CB-CD2 4.46Å; I408-Y410 HydrophobicContact CB-CE2 3.84Å; I408-Y410 WeakPolarHBondContact CD1-OH 3.45Å; I408-Y410 HydrophobicContact CG2-CD1 4.19Å; I408-Y410 HydrophobicContact CG2-CD2 4.05Å; I408-Y410 HydrophobicContact CG2-CE1 3.76Å; I408-Y410 HydrophobicContact CG2-CE2 3.59Å; I408-Y410 HydrophobicContact CG2-CG 4.33Å; I408-Y410 VanDerWaalsContact CG2-CZ 3.42Å; Y410-L421 HydrophobicContact CD1-CB 3.73Å; Y410-L421 HydrophobicContact CD1-CD1 4.33Å; Y410-L421 HydrophobicContact CD1-CG 4.48Å; Y410-L421 HydrophobicContact CD2-CD1 4.31Å; Y410-L421 HydrophobicContact CE1-CB 4.31Å; Y410-L421 HydrophobicContact CG-CB 4.1Å; Y410-L421 HydrophobicContact CG-CD1 4.18Å; Y410-L421 HydrophobicContact CG-CD2 4.21Å; Y410-L421 HydrophobicContact CG-CG 4.41Å; Y410-E422 CarbonylContact C-O 3.49Å; Y410-E422 WeakPolarHBondContact CA-O 3.29Å; Y410-V423 HydrophobicContact CD1-CG2 3.85Å; Y410-V423 HydrophobicContact CE1-CG2 3.48Å; Y410-V423 VanDerWaalsContact CE1-CG2 3.48Å
411S96.8Very high95Very high11 Ų1145.2 Ų45.28%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-99.7153.9158.155.70000110.3A396 L421 E422 I424A396-S411 CarbonylContact O-C 3.57Å; A396-S411 WeakPolarHBondContact O-CA 3.49Å; S411-L421 WeakPolarHBondContact O-CA 3.28Å; S411-E422 PolarHBondContact N-O 3.19Å; S411-E422 PolarHBondContact O-N 3.3Å; S411-E422 VanDerWaalsContact O-N 3.09Å; S411-I424 WeakPolarHBondContact OG-CD1 3.5Å
412Y96.7Very high94.9Very high10 Ų1050.4 Ų50.44%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-139.4105.6172.5-166.5-90.7000108.3V365 I377 E395 A396 F414 P419 L421V365-Y412 HydrophobicContact CG2-CE1 3.97Å; I377-Y412 HydrophobicContact CB-CE2 4.48Å; I377-Y412 HydrophobicContact CD1-CD1 4.43Å; I377-Y412 HydrophobicContact CD1-CD2 4.15Å; I377-Y412 HydrophobicContact CD1-CE1 4.24Å; I377-Y412 HydrophobicContact CD1-CE2 3.95Å; I377-Y412 HydrophobicContact CD1-CG 4.37Å; I377-Y412 HydrophobicContact CG1-CD2 4.41Å; I377-Y412 HydrophobicContact CG1-CE2 3.79Å; I377-Y412 HydrophobicContact CG2-CD2 4.25Å; I377-Y412 HydrophobicContact CG2-CE2 4.09Å; E395-Y412 WeakPolarHBondContact CA-O 3.4Å; A396-Y412 PolarHBondContact N-O 2.87Å; A396-Y412 PolarHBondContact O-N 2.97Å; Y412-F414 HydrophobicContact CD1-CD1 4.46Å; Y412-F414 HydrophobicContact CD1-CD2 4.26Å; Y412-F414 AromaticContact CD1-CE1 3.99Å; Y412-F414 HydrophobicContact CD1-CE1 3.99Å; Y412-F414 AromaticContact CD1-CE2 3.77Å; Y412-F414 HydrophobicContact CD1-CE2 3.77Å; Y412-F414 AromaticContact CD1-CZ 3.62Å; Y412-F414 HydrophobicContact CD1-CZ 3.62Å; Y412-F414 HydrophobicContact CE1-CD1 4.21Å; Y412-F414 AromaticContact CE1-CE1 3.71Å; Y412-F414 HydrophobicContact CE1-CE1 3.71Å; Y412-F414 HydrophobicContact CE1-CE2 4.34Å; Y412-F414 AromaticContact CE1-CZ 3.78Å; Y412-F414 HydrophobicContact CE1-CZ 3.78Å; Y412-P419 HydrophobicContact CD1-CB 3.91Å; Y412-P419 HydrophobicContact CD1-CG 4.43Å; Y412-P419 HydrophobicContact CD2-CB 4.19Å; Y412-P419 HydrophobicContact CE1-CB 3.54Å; Y412-P419 HydrophobicContact CE1-CG 3.8Å; Y412-P419 HydrophobicContact CE2-CB 3.85Å; Y412-P419 HydrophobicContact CG-CB 4.23Å; Y412-L421 HydrophobicContact CD2-CD2 3.86Å; Y412-L421 HydrophobicContact CD2-CG 4.43Å
413D96Very high94.9Very high48 Ų4853.7 Ų53.726%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-100108.3-169.2178.1-3.1000111.7S415 H416 P419D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.11Å; D413-S415 PolarHBondContact OD1-OG 2.9Å; D413-S415 PolarHBondContact OD2-OG 2.89Å; D413-S415 VanDerWaalsContact OD2-OG 3.09Å; D413-H416 PolarHBondContact O-N 2.84Å; D413-H416 IonicContact OD1-ND1 3.72Å; D413-H416 IonicContact OD2-CE1 2.84Å; D413-H416 PolarHBondContact OD2-CE1 3.47Å; D413-H416 IonicContact OD2-ND1 3.56Å; D413-H416 PolarHBondContact OD2-ND1 2.95Å; D413-H416 VanDerWaalsContact OD2-ND1 3.07Å; D413-P419 VanDerWaalsContact O-CB 3.23Å; D413-P419 WeakPolarHBondContact O-CB 3.32Å; D413-P419 VanDerWaalsContact O-CG 3.25Å; D413-P419 WeakPolarHBondContact O-CG 3.48Å
414F96.5Very high94.7Very high24 Ų2454.8 Ų54.811%0.10529%0.291CS..THydrogen-bonded Turntrans-74.5-5.7-178.4-65.5-90000114.1V346 N347 K350 V352 V365 D394 A396 Y412 H416V346-F414 HydrophobicContact CB-CE2 4.06Å; V346-F414 HydrophobicContact CG1-CD2 4.09Å; V346-F414 HydrophobicContact CG1-CE2 3.88Å; N347-F414 HydrophobicContact CB-CB 3.64Å; N347-F414 HydrophobicContact CB-CD1 4.39Å; N347-F414 HydrophobicContact CB-CD2 4.12Å; N347-F414 HydrophobicContact CB-CG 3.81Å; K350-F414 HydrophobicContact CB-CD1 4.41Å; K350-F414 HydrophobicContact CB-CE1 4.06Å; K350-F414 HydrophobicContact CG-CD1 4.08Å; K350-F414 HydrophobicContact CG-CE1 4.18Å; V352-F414 HydrophobicContact CG2-CE2 4.39Å; V352-F414 HydrophobicContact CG2-CZ 3.74Å; V365-F414 HydrophobicContact CG1-CE1 3.82Å; V365-F414 HydrophobicContact CG2-CE1 4.16Å; V365-F414 HydrophobicContact CG2-CZ 4.49Å; D394-F414 WeakPolarHBondContact O-CA 3.27Å; D394-F414 VanDerWaalsContact O-CB 3.28Å; D394-F414 WeakPolarHBondContact O-CB 3.28Å; D394-F414 WeakPolarHBondContact O-CD2 3.29Å; D394-F414 PolarHBondContact O-N 2.8Å; A396-F414 HydrophobicContact CB-CE2 3.97Å; Y412-F414 HydrophobicContact CD1-CD1 4.46Å; Y412-F414 HydrophobicContact CD1-CD2 4.26Å; Y412-F414 AromaticContact CD1-CE1 3.99Å; Y412-F414 HydrophobicContact CD1-CE1 3.99Å; Y412-F414 AromaticContact CD1-CE2 3.77Å; Y412-F414 HydrophobicContact CD1-CE2 3.77Å; Y412-F414 AromaticContact CD1-CZ 3.62Å; Y412-F414 HydrophobicContact CD1-CZ 3.62Å; Y412-F414 HydrophobicContact CE1-CD1 4.21Å; Y412-F414 AromaticContact CE1-CE1 3.71Å; Y412-F414 HydrophobicContact CE1-CE1 3.71Å; Y412-F414 HydrophobicContact CE1-CE2 4.34Å; Y412-F414 AromaticContact CE1-CZ 3.78Å; Y412-F414 HydrophobicContact CE1-CZ 3.78Å; F414-H416 PolarHBondContact O-N 2.67Å
415S93Very high94.7Very high76 Ų7657 Ų5753%0.53130%0.297SS..THydrogen-bonded Turntrans-68.9-20.9171.175.20000112.3D413D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.11Å; D413-S415 PolarHBondContact OD1-OG 2.9Å; D413-S415 PolarHBondContact OD2-OG 2.89Å; D413-S415 VanDerWaalsContact OD2-OG 3.09Å
416H92.4Very high94.7Very high107 Ų10759.6 Ų59.650%0.49531%0.306SS..SBendtrans-86.8141.5174.2-63.194.6000111.5D413 F414 H418 P419D413-H416 PolarHBondContact O-N 2.84Å; D413-H416 IonicContact OD1-ND1 3.72Å; D413-H416 IonicContact OD2-CE1 2.84Å; D413-H416 PolarHBondContact OD2-CE1 3.47Å; D413-H416 IonicContact OD2-ND1 3.56Å; D413-H416 PolarHBondContact OD2-ND1 2.95Å; D413-H416 VanDerWaalsContact OD2-ND1 3.07Å; F414-H416 PolarHBondContact O-N 2.67Å; H416-H418 PolarHBondContact O-N 3.32Å; H416-P419 VanDerWaalsContact O-CD 3.31Å; H416-P419 WeakPolarHBondContact O-CD 3.4Å; H416-P419 WeakPolarHBondContact O-CG 3.24Å
417S86.5Confident94.7Very high109 Ų10959.4 Ų59.476%0.76231%0.305SS*.SBendtrans-65.6-25.517956.70000114.2
418H88.3Confident94.6Very high156 Ų15665.5 Ų65.572%0.72233%0.331SS*.SBendtrans-135.475.8176.2-60.9-60.6000109.5H416H416-H418 PolarHBondContact O-N 3.32Å
419P90.9Very high94.4Very high27 Ų2765.4 Ų65.418%0.17533%0.33CS..  trans-61.4149.4-177.7-16.629.1000110.9Y412 D413 H416Y412-P419 HydrophobicContact CD1-CB 3.91Å; Y412-P419 HydrophobicContact CD1-CG 4.43Å; Y412-P419 HydrophobicContact CD2-CB 4.19Å; Y412-P419 HydrophobicContact CE1-CB 3.54Å; Y412-P419 HydrophobicContact CE1-CG 3.8Å; Y412-P419 HydrophobicContact CE2-CB 3.85Å; Y412-P419 HydrophobicContact CG-CB 4.23Å; D413-P419 VanDerWaalsContact O-CB 3.23Å; D413-P419 WeakPolarHBondContact O-CB 3.32Å; D413-P419 VanDerWaalsContact O-CG 3.25Å; D413-P419 WeakPolarHBondContact O-CG 3.48Å; H416-P419 VanDerWaalsContact O-CD 3.31Å; H416-P419 WeakPolarHBondContact O-CD 3.4Å; H416-P419 WeakPolarHBondContact O-CG 3.24Å
420K92.5Very high94Very high167 Ų16772.6 Ų72.673%0.72636%0.357SS*.  trans-128.4155.8173.4-67.6-177.4179.2179.20108.6E422K420-E422 PolarHBondContact O-N 2.93Å
421L95.3Very high93.6Very high38 Ų3879.5 Ų79.520%0.19940%0.396CS..  trans-66.7124.4169.3-67.2-179.3000109.7I377 D378 I379 I398 Y410 S411 Y412I377-L421 HydrophobicContact CG2-CD1 3.82Å; I377-L421 HydrophobicContact CG2-CD2 3.76Å; I377-L421 HydrophobicContact CG2-CG 3.71Å; D378-L421 WeakPolarHBondContact O-CD1 3.47Å; I379-L421 HydrophobicContact CB-CD1 4.22Å; I379-L421 HydrophobicContact CD1-CD1 4.45Å; I379-L421 HydrophobicContact CG1-CD1 4.3Å; I398-L421 HydrophobicContact CD1-CD2 3.45Å; I398-L421 VanDerWaalsContact CD1-CD2 3.45Å; Y410-L421 HydrophobicContact CD1-CB 3.73Å; Y410-L421 HydrophobicContact CD1-CD1 4.33Å; Y410-L421 HydrophobicContact CD1-CG 4.48Å; Y410-L421 HydrophobicContact CD2-CD1 4.31Å; Y410-L421 HydrophobicContact CE1-CB 4.31Å; Y410-L421 HydrophobicContact CG-CB 4.1Å; Y410-L421 HydrophobicContact CG-CD1 4.18Å; Y410-L421 HydrophobicContact CG-CD2 4.21Å; Y410-L421 HydrophobicContact CG-CG 4.41Å; S411-L421 WeakPolarHBondContact O-CA 3.28Å; Y412-L421 HydrophobicContact CD2-CD2 3.86Å; Y412-L421 HydrophobicContact CD2-CG 4.43Å
422E95.9Very high93.4Very high124 Ų12480.1 Ų80.158%0.57940%0.399SS*.EExtended strand (participates in β ladder)trans-112.8132.9170.6-62.3-170.916400109.6Y410 S411 K420 I424Y410-E422 CarbonylContact C-O 3.49Å; Y410-E422 WeakPolarHBondContact CA-O 3.29Å; S411-E422 PolarHBondContact N-O 3.19Å; S411-E422 PolarHBondContact O-N 3.3Å; S411-E422 VanDerWaalsContact O-N 3.09Å; K420-E422 PolarHBondContact O-N 2.93Å; E422-I424 PolarHBondContact O-N 2.87Å
423V96.3Very high93.3Very high82 Ų8284 Ų8450%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-73.7115.6178.6176.90000109.2I408 Y410 E426I408-V423 HydrophobicContact CG2-CG1 4.04Å; I408-V423 HydrophobicContact CG2-CG2 4.07Å; Y410-V423 HydrophobicContact CD1-CG2 3.85Å; Y410-V423 HydrophobicContact CE1-CG2 3.48Å; Y410-V423 VanDerWaalsContact CE1-CG2 3.48Å; V423-E426 HydrophobicContact CG1-CB 4.1Å
424I94.6Very high93.3Very high38 Ų3883.1 Ų83.120%0.19542%0.415CS..EExtended strand (participates in β ladder)trans-89.1-43.1174.4-61.1-63.1000110.7L108 I409 S411 E422L108-I424 HydrophobicContact CD1-CD1 4.37Å; I409-I424 HydrophobicContact CG2-CB 4.49Å; I409-I424 PolarHBondContact O-N 2.94Å; S411-I424 WeakPolarHBondContact OG-CD1 3.5Å; E422-I424 PolarHBondContact O-N 2.87Å
425R95.3Very high93.2Very high76 Ų7687.4 Ų87.429%0.28744%0.439SS..EExtended strand (participates in β ladder)trans-144.4146175.9-64.5-64-179-88.3-3.3110.2Y78 L108 I409Y78-R425 HydrophobicContact CD1-CG 4.03Å; Y78-R425 HydrophobicContact CD2-CB 3.97Å; Y78-R425 HydrophobicContact CD2-CG 4.21Å; Y78-R425 HydrophobicContact CE1-CG 4.33Å; Y78-R425 HydrophobicContact CE2-CB 4.5Å; Y78-R425 HydrophobicContact CG-CB 4.03Å; Y78-R425 HydrophobicContact CG-CG 3.96Å; L108-R425 PolarHBondContact O-NH2 3.17Å; I409-R425 HydrophobicContact CB-CB 4.22Å; I409-R425 HydrophobicContact CG1-CB 4.24Å; I409-R425 PolarHBondContact N-O 2.8Å; I409-R425 PolarHBondContact O-N 3.13Å
426E95.6Very high93.3Very high93 Ų9388.1 Ų88.144%0.43544%0.435SS..EExtended strand (participates in β ladder)trans-136118.9176.5-177-179-17500109I408 V423 K428I408-E426 HydrophobicContact CG1-CG 4.26Å; V423-E426 HydrophobicContact CG1-CB 4.1Å; E426-K428 HydrophobicContact CG-CG 4.23Å; E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 2.82Å; E426-K428 WeakPolarHBondContact OE2-CE 3.35Å; E426-K428 IonicContact OE2-NZ 2.79Å; E426-K428 PolarHBondContact OE2-NZ 3.22Å
427S96.8Very high93.5Very high12 Ų1283.5 Ų83.58%0.08441%0.413CS..EExtended strand (participates in β ladder)trans-81.4117.3177.4-73.50000110.2E76 G407E76-S427 VanDerWaalsContact O-CB 3.29Å; E76-S427 WeakPolarHBondContact O-CB 3.46Å; E76-S427 PolarHBondContact O-OG 3.45Å; G407-S427 PolarHBondContact O-N 3.45Å
428K93.9Very high94.1Very high132 Ų13280.8 Ų80.857%0.57439%0.388SS*.  trans-118.2131.9-179.9-64.6-176-178.21750111.4Y75 E426Y75-K428 VanDerWaalsContact CB-O 3.25Å; Y75-K428 WeakPolarHBondContact CB-O 3.34Å; E426-K428 HydrophobicContact CG-CG 4.23Å; E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 2.82Å; E426-K428 WeakPolarHBondContact OE2-CE 3.35Å; E426-K428 IonicContact OE2-NZ 2.79Å; E426-K428 PolarHBondContact OE2-NZ 3.22Å
429I94.4Very high94.5Very high16 Ų1675.9 Ų75.98%0.08237%0.369CS..  trans-79.3130.2173.4-49.2175.1000108I72 Y75 P406 V432 L434 F486 L491I72-I429 HydrophobicContact CG2-CD1 4.36Å; I72-I429 HydrophobicContact CG2-CG2 4.15Å; Y75-I429 HydrophobicContact CD1-CG1 4.23Å; Y75-I429 HydrophobicContact CG-CG1 4.44Å; P406-I429 HydrophobicContact CG-CD1 4Å; P406-I429 HydrophobicContact CG-CG1 3.8Å; I429-V432 HydrophobicContact CB-CB 4.38Å; I429-V432 HydrophobicContact CG2-CB 4.06Å; I429-V432 HydrophobicContact CG2-CG2 3.76Å; I429-L434 HydrophobicContact CD1-CD1 4.32Å; I429-L434 HydrophobicContact CD1-CD2 4.33Å; I429-F486 HydrophobicContact CD1-CE1 3.96Å; I429-F486 HydrophobicContact CD1-CE2 3.76Å; I429-F486 HydrophobicContact CD1-CZ 3.2Å; I429-F486 HydrophobicContact CG1-CZ 4.33Å; I429-L491 HydrophobicContact CD1-CD2 3.3Å
430R89.4Confident94.8Very high154 Ų15478.7 Ų78.758%0.58138%0.379SS*.THydrogen-bonded Turntrans-69.3140.3177.8-64179.3-179.3159.63.2110D74 V432D74-R430 IonicContact OD2-NH1 3.1Å; D74-R430 PolarHBondContact OD2-NH1 3.15Å; R430-V432 PolarHBondContact O-N 3.39Å
431D89.1Confident95.1Very high169 Ų16972.9 Ų72.990%0.90435%0.354SS*.THydrogen-bonded Turntrans56.524.1171-50.6-42.8000115.8
432V93Very high95.2Very high24 Ų2472.1 Ų72.115%0.14535%0.351CS..  trans-124.1115173.8-176.90000110.4I429 R430 L434 L491 M495I429-V432 HydrophobicContact CB-CB 4.38Å; I429-V432 HydrophobicContact CG2-CB 4.06Å; I429-V432 HydrophobicContact CG2-CG2 3.76Å; R430-V432 PolarHBondContact O-N 3.39Å; V432-L434 HydrophobicContact CG1-CD2 3.86Å; V432-L434 HydrophobicContact CG1-CG 4.44Å; V432-L434 PolarHBondContact O-N 2.91Å; V432-L491 HydrophobicContact CG1-CD1 4.35Å; V432-L491 HydrophobicContact CG1-CD2 4.24Å; V432-M495 HydrophobicContact CG1-CE 4.13Å; V432-M495 HydrophobicContact CG1-SD 3.73Å; V432-M495 HydrophobicContact CG2-CE 3.78Å; V432-M495 HydrophobicContact CG2-SD 4.07Å
433D94.3Very high95.4Very high91 Ų9170.4 Ų70.449%0.48734%0.342SS..  trans-80101.8168.2-177.917.9000109.9N435 Q436D433-N435 PolarHBondContact O-N 3.24Å; D433-N435 WeakPolarHBondContact OD1-CB 2.94Å; D433-N435 PolarHBondContact OD1-N 2.96Å; D433-N435 PolarHBondContact OD1-ND2 2.66Å; D433-Q436 VanDerWaalsContact O-CG 3.24Å; D433-Q436 WeakPolarHBondContact O-CG 3.43Å; D433-Q436 PolarHBondContact O-NE2 3.46Å
434L95.3Very high95.5Very high30 Ų3066.8 Ų66.816%0.15732%0.319CS..G310 helixtrans-70.1-16.4176.4-63.2176.5000112.4L404 I429 V432 Q436 F437 L491L404-L434 WeakPolarHBondContact O-CD1 3.37Å; I429-L434 HydrophobicContact CD1-CD1 4.32Å; I429-L434 HydrophobicContact CD1-CD2 4.33Å; V432-L434 HydrophobicContact CG1-CD2 3.86Å; V432-L434 HydrophobicContact CG1-CG 4.44Å; V432-L434 PolarHBondContact O-N 2.91Å; L434-Q436 PolarHBondContact O-N 3.16Å; L434-F437 PolarHBondContact O-N 3.23Å; L434-F437 VanDerWaalsContact O-N 3.15Å; L434-L491 HydrophobicContact CD2-CD1 3.68Å; L434-L491 HydrophobicContact CD2-CD2 3.74Å; L434-L491 HydrophobicContact CD2-CG 4.39Å
435N94.5Very high95.7Very high114 Ų11470.2 Ų70.261%0.6133%0.334SS*.G310 helixtrans-70.5-9.5178.8-59.6-64.6000113.4D433 F437 K460D433-N435 PolarHBondContact O-N 3.24Å; D433-N435 WeakPolarHBondContact OD1-CB 2.94Å; D433-N435 PolarHBondContact OD1-N 2.96Å; D433-N435 PolarHBondContact OD1-ND2 2.66Å; N435-F437 PolarHBondContact O-N 3Å; N435-K460 WeakPolarHBondContact O-CD 3.37Å; N435-K460 WeakPolarHBondContact O-CE 3.35Å; N435-K460 PolarHBondContact O-NZ 3.37Å
436Q95.8Very high95.9Very high92 Ų9266.8 Ų66.843%0.4332%0.322SS..G310 helixtrans-74.5-13.2172.577.2-170.2-5400112.9D433 L434 K460D433-Q436 VanDerWaalsContact O-CG 3.24Å; D433-Q436 WeakPolarHBondContact O-CG 3.43Å; D433-Q436 PolarHBondContact O-NE2 3.46Å; L434-Q436 PolarHBondContact O-N 3.16Å; Q436-K460 PolarHBondContact O-N 2.71Å
437F97.1Very high96Very high9 Ų969.9 Ų69.94%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-106.9161.7178.1-53.5-70.5000111.2L404 L434 N435 L458 P459 K460 L491 L494 M495L404-F437 HydrophobicContact CD1-CB 3.68Å; L404-F437 HydrophobicContact CD2-CB 3.74Å; L404-F437 HydrophobicContact CD2-CD2 4.26Å; L404-F437 HydrophobicContact CD2-CG 4.29Å; L404-F437 HydrophobicContact CG-CB 4.39Å; L434-F437 PolarHBondContact O-N 3.23Å; L434-F437 VanDerWaalsContact O-N 3.15Å; N435-F437 PolarHBondContact O-N 3Å; F437-L458 CarbonylContact C-O 3.43Å; F437-L458 WeakPolarHBondContact CA-O 3.49Å; F437-P459 HydrophobicContact CD1-CB 4.42Å; F437-P459 HydrophobicContact CD1-CG 4.29Å; F437-P459 HydrophobicContact CE1-CG 4.26Å; F437-K460 WeakPolarHBondContact O-CE 3.45Å; F437-L491 HydrophobicContact CD2-CD1 4.14Å; F437-L491 HydrophobicContact CE2-CD1 3.65Å; F437-L491 HydrophobicContact CZ-CD1 4.33Å; F437-L494 HydrophobicContact CD1-CB 4.13Å; F437-L494 HydrophobicContact CD1-CD1 4.15Å; F437-L494 HydrophobicContact CE1-CB 3.6Å; F437-L494 HydrophobicContact CE1-CD1 4.42Å; F437-L494 HydrophobicContact CG-CD1 4.39Å; F437-L494 HydrophobicContact CZ-CB 3.99Å; F437-M495 HydrophobicContact CE2-CG 4.1Å; F437-M495 HydrophobicContact CZ-CG 3.68Å
438E97Very high96.1Very high52 Ų5273 Ų7324%0.24335%0.35CS..EExtended strand (participates in β ladder)trans-138.7158.1173.161.1173.4167.800110.8K440 I457 L458 K460E438-K440 WeakPolarHBondContact OE1-CE 3.26Å; E438-K440 IonicContact OE1-NZ 2.74Å; E438-K440 PolarHBondContact OE1-NZ 2.69Å; E438-K440 VanDerWaalsContact OE2-CE 3.23Å; E438-K440 WeakPolarHBondContact OE2-CE 3.38Å; E438-K440 IonicContact OE2-NZ 3.78Å; E438-I457 WeakPolarHBondContact O-CA 3.28Å; E438-L458 HydrophobicContact CG-CD1 3.84Å; E438-L458 HydrophobicContact CG-CG 3.96Å; E438-L458 PolarHBondContact N-O 2.71Å; E438-L458 PolarHBondContact O-N 3.06Å; E438-L458 VanDerWaalsContact OE1-CD1 3.23Å; E438-L458 WeakPolarHBondContact OE1-CD1 3.44Å; E438-K460 HydrophobicContact CB-CG 4.04Å; E438-K460 HydrophobicContact CG-CG 4.17Å
439V97.5Very high96.3Very high54 Ų5473.3 Ų73.333%0.32735%0.351SS..EExtended strand (participates in β ladder)trans-116.5128.5174.1-178.50000108.2F403 L404 F455 L456 I457F403-V439 HydrophobicContact CB-CG2 4Å; F403-V439 HydrophobicContact CD2-CG1 3.83Å; F403-V439 HydrophobicContact CD2-CG2 4.14Å; F403-V439 HydrophobicContact CE2-CG1 4.3Å; L404-V439 HydrophobicContact CD1-CG2 3.98Å; L404-V439 HydrophobicContact CG-CG2 4.08Å; V439-F455 HydrophobicContact CG1-CD1 3.98Å; V439-L456 CarbonylContact C-O 3.54Å; V439-L456 WeakPolarHBondContact CA-O 3.45Å; V439-I457 HydrophobicContact CG2-CG1 4.2Å; V439-I457 HydrophobicContact CG2-CG2 4.41Å
440K97.2Very high96.5Very high85 Ų8574.4 Ų74.437%0.3736%0.359SS..EExtended strand (participates in β ladder)trans-116.2144.5171.5-64.9178.1-178.9156.30109.2E438 F455 L456 L458E438-K440 WeakPolarHBondContact OE1-CE 3.26Å; E438-K440 IonicContact OE1-NZ 2.74Å; E438-K440 PolarHBondContact OE1-NZ 2.69Å; E438-K440 VanDerWaalsContact OE2-CE 3.23Å; E438-K440 WeakPolarHBondContact OE2-CE 3.38Å; E438-K440 IonicContact OE2-NZ 3.78Å; K440-F455 CarbonylContact O-C 3.57Å; K440-F455 WeakPolarHBondContact O-CA 3.34Å; K440-L456 HydrophobicContact CB-CB 4.42Å; K440-L456 PolarHBondContact N-O 3.3Å; K440-L456 PolarHBondContact O-N 2.8Å; K440-L458 HydrophobicContact CD-CD2 4.32Å
441Q98.4Very high96.9Very high46 Ų4670.8 Ų70.822%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-106.1126167.1-171174.123.600107.8D358 F443 F455D358-Q441 PolarHBondContact O-NE2 2.79Å; Q441-F443 HydrophobicContact CG-CE2 4.13Å; Q441-F443 HydrophobicContact CG-CZ 4.33Å; Q441-F455 HydrophobicContact CB-CD1 3.92Å; Q441-F455 HydrophobicContact CB-CE1 3.82Å; Q441-F455 HydrophobicContact CG-CD1 4.12Å; Q441-F455 HydrophobicContact CG-CE1 3.85Å; Q441-F455 HydrophobicContact CG-CZ 4.36Å
442V98.6Very high97.4Very high21 Ų2162.8 Ų62.813%0.12731%0.311CS..EExtended strand (participates in β ladder)trans-119.7160.8173.6-600000109.1M454 L456 Y538V442-M454 HydrophobicContact CG2-CB 4.08Å; V442-M454 HydrophobicContact CG2-CE 3.85Å; V442-M454 HydrophobicContact CG2-CG 4.46Å; V442-M454 PolarHBondContact N-O 2.89Å; V442-M454 PolarHBondContact O-N 3.33Å; V442-L456 HydrophobicContact CG1-CD1 3.89Å; V442-L456 HydrophobicContact CG2-CD1 4.02Å; V442-L456 HydrophobicContact CG2-CG 4.1Å; V442-Y538 HydrophobicContact CB-CE1 4.41Å; V442-Y538 HydrophobicContact CG2-CE1 3.86Å
443F98.8Very high97.7Very high89 Ų8961.6 Ų61.639%0.3930%0.304SS..EExtended strand (participates in β ladder)trans-126.3131.5175.9-66.3-94.4000108.1D358 Q441 V451 V452 P453D358-F443 HydrophobicContact CB-CZ 4.35Å; Q441-F443 HydrophobicContact CG-CE2 4.13Å; Q441-F443 HydrophobicContact CG-CZ 4.33Å; F443-V451 HydrophobicContact CB-CG1 3.62Å; F443-V451 HydrophobicContact CD1-CG1 3.98Å; F443-V451 HydrophobicContact CG-CG1 4.21Å; F443-V452 WeakPolarHBondContact CA-O 3.48Å; F443-P453 HydrophobicContact CD1-CB 4.06Å; F443-P453 HydrophobicContact CE1-CB 3.84Å; F443-P453 HydrophobicContact CE1-CG 4.37Å
444Y98.8Very high97.9Very high5 Ų557.3 Ų57.32%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-127.3153.8-177.266.4-82.4000110.6V451 V452 M454 D531 A534 A535 Y538Y444-V451 CarbonylContact O-C 3.42Å; Y444-V451 WeakPolarHBondContact O-CA 3.27Å; Y444-V452 HydrophobicContact CD1-CB 4.32Å; Y444-V452 WeakPolarHBondContact CD1-O 3.36Å; Y444-V452 HydrophobicContact CE1-CB 3.7Å; Y444-V452 HydrophobicContact CE1-CG1 3.75Å; Y444-V452 WeakPolarHBondContact CE1-O 3.21Å; Y444-V452 HydrophobicContact CE2-CB 3.93Å; Y444-V452 HydrophobicContact CE2-CG1 4.37Å; Y444-V452 HydrophobicContact CE2-CG2 4.4Å; Y444-V452 VanDerWaalsContact CZ-CB 3.5Å; Y444-V452 PolarHBondContact N-O 3.48Å; Y444-V452 PolarHBondContact O-N 2.73Å; Y444-V452 WeakPolarHBondContact OH-CG1 3.49Å; Y444-M454 HydrophobicContact CD1-CB 4.02Å; Y444-M454 HydrophobicContact CD1-CE 4.1Å; Y444-M454 HydrophobicContact CE1-CB 3.78Å; Y444-M454 HydrophobicContact CE1-CE 4.43Å; Y444-D531 VanDerWaalsContact CE2-O 3.27Å; Y444-D531 WeakPolarHBondContact CE2-O 3.25Å; Y444-D531 PolarHBondContact OH-O 2.9Å; Y444-D531 VanDerWaalsContact OH-O 3.11Å; Y444-A534 HydrophobicContact CD2-CB 4.08Å; Y444-A534 HydrophobicContact CE2-CB 3.89Å; Y444-A535 HydrophobicContact CE1-CB 4.06Å; Y444-A535 HydrophobicContact CE2-CB 3.86Å; Y444-A535 VanDerWaalsContact CE2-N 3.27Å; Y444-A535 WeakPolarHBondContact OH-CB 3.48Å; Y444-Y538 HydrophobicContact CG-CG 4.42Å
445E98.7Very high98.1Very high110 Ų11056.2 Ų56.251%0.51428%0.275SS..EExtended strand (participates in β ladder)trans-84.1129.7176.2-66.9-176.6174.100110.5K449 T450E445-K449 VanDerWaalsContact OE2-CD 3.26Å; E445-K449 WeakPolarHBondContact OE2-CD 3.28Å; E445-K449 IonicContact OE2-NZ 3.47Å; E445-K449 PolarHBondContact OE2-NZ 3.03Å; E445-T450 WeakPolarHBondContact CA-O 3.49Å
446S98.8Very high98.3Very high4 Ų450.8 Ų50.83%0.02825%0.246CC..  trans-73.4175.1165-170.30000111.4D448 K449 T450 D531S446-D448 PolarHBondContact O-N 2.69Å; S446-K449 PolarHBondContact O-N 2.76Å; S446-T450 PolarHBondContact N-O 2.82Å; S446-D531 WeakPolarHBondContact CB-OD1 3.2Å; S446-D531 WeakPolarHBondContact OG-CA 3.42Å; S446-D531 PolarHBondContact OG-OD1 3.11Å
447K98.5Very high98.4Very high159 Ų15946.7 Ų46.769%0.69123%0.226SC*.THydrogen-bonded Turntrans-53.9-36.5179.3-174.8-174.4179.7-178.80113.4K449 D530K447-K449 VanDerWaalsContact C-N 3.34Å; K447-D530 HydrophobicContact CB-CB 4.23Å; K447-D530 HydrophobicContact CD-CB 4.33Å; K447-D530 WeakPolarHBondContact CD-OD2 3.36Å; K447-D530 IonicContact NZ-OD2 3.28Å; K447-D530 PolarHBondContact NZ-OD2 3.5Å
448D98.5Very high98.4Very high78 Ų7846.3 Ų46.342%0.41723%0.225SC..THydrogen-bonded Turntrans-92.612178.669.21.5000114.1S446 T450 R507S446-D448 PolarHBondContact O-N 2.69Å; D448-T450 VanDerWaalsContact C-N 3.27Å; D448-T450 PolarHBondContact O-N 2.73Å; D448-T450 WeakPolarHBondContact OD1-CB 3.46Å; D448-T450 PolarHBondContact OD1-N 3.01Å; D448-T450 PolarHBondContact OD1-OG1 3.5Å; D448-T450 PolarHBondContact OD2-OG1 3.05Å; D448-R507 IonicContact OD1-CZ 2.74Å; D448-R507 IonicContact OD1-NH1 3.45Å; D448-R507 IonicContact OD1-NH2 3.76Å; D448-R507 PolarHBondContact OD1-NH2 3.12Å; D448-R507 IonicContact OD2-CZ 2.77Å; D448-R507 VanDerWaalsContact OD2-CZ 3.28Å; D448-R507 IonicContact OD2-NH1 2.65Å; D448-R507 PolarHBondContact OD2-NH1 3.3Å; D448-R507 IonicContact OD2-NH2 3.93Å; D448-R507 PolarHBondContact OD2-NH2 3.14Å
449K98.5Very high98.4Very high137 Ų13744.8 Ų44.860%0.59622%0.22SC*.SBendtrans73.17.2-178.2-50.8-56.6-168.9174.60115.8E445 S446 K447 V451E445-K449 VanDerWaalsContact OE2-CD 3.26Å; E445-K449 WeakPolarHBondContact OE2-CD 3.28Å; E445-K449 IonicContact OE2-NZ 3.47Å; E445-K449 PolarHBondContact OE2-NZ 3.03Å; S446-K449 PolarHBondContact O-N 2.76Å; K447-K449 VanDerWaalsContact C-N 3.34Å; K449-V451 PolarHBondContact O-N 2.87Å
450T98.7Very high98.3Very high39 Ų3948.2 Ų48.224%0.23923%0.23CC..  trans-61.4132.6167.9-55.40000110.2E445 S446 D448 V452 R507 W516E445-T450 WeakPolarHBondContact CA-O 3.49Å; S446-T450 PolarHBondContact N-O 2.82Å; D448-T450 VanDerWaalsContact C-N 3.27Å; D448-T450 PolarHBondContact O-N 2.73Å; D448-T450 WeakPolarHBondContact OD1-CB 3.46Å; D448-T450 PolarHBondContact OD1-N 3.01Å; D448-T450 PolarHBondContact OD1-OG1 3.5Å; D448-T450 PolarHBondContact OD2-OG1 3.05Å; T450-V452 HydrophobicContact CG2-CG2 4.48Å; T450-R507 PolarHBondContact OG1-NH1 3.1Å; T450-W516 HydrophobicContact CG2-CH2 3.79Å; T450-W516 HydrophobicContact CG2-CZ3 3.7Å
451V98.7Very high98.1Very high79 Ų7950.7 Ų50.748%0.47925%0.247SC..EExtended strand (participates in β ladder)trans-84.9121.2176.8179.20000109.5F443 Y444 K449F443-V451 HydrophobicContact CB-CG1 3.62Å; F443-V451 HydrophobicContact CD1-CG1 3.98Å; F443-V451 HydrophobicContact CG-CG1 4.21Å; Y444-V451 CarbonylContact O-C 3.42Å; Y444-V451 WeakPolarHBondContact O-CA 3.27Å; K449-V451 PolarHBondContact O-N 2.87Å
452V98.9Very high98Very high0 Ų050.4 Ų50.40%025%0.246CC..EExtended strand (participates in β ladder)trans-116132.7-174.5-175.60000110F443 Y444 T450 N505 I506 W516 D531F443-V452 WeakPolarHBondContact CA-O 3.48Å; Y444-V452 HydrophobicContact CD1-CB 4.32Å; Y444-V452 WeakPolarHBondContact CD1-O 3.36Å; Y444-V452 HydrophobicContact CE1-CB 3.7Å; Y444-V452 HydrophobicContact CE1-CG1 3.75Å; Y444-V452 WeakPolarHBondContact CE1-O 3.21Å; Y444-V452 HydrophobicContact CE2-CB 3.93Å; Y444-V452 HydrophobicContact CE2-CG1 4.37Å; Y444-V452 HydrophobicContact CE2-CG2 4.4Å; Y444-V452 VanDerWaalsContact CZ-CB 3.5Å; Y444-V452 PolarHBondContact N-O 3.48Å; Y444-V452 PolarHBondContact O-N 2.73Å; Y444-V452 WeakPolarHBondContact OH-CG1 3.49Å; T450-V452 HydrophobicContact CG2-CG2 4.48Å; V452-N505 WeakPolarHBondContact CG1-O 3.35Å; V452-I506 HydrophobicContact CG1-CG2 4.42Å; V452-W516 HydrophobicContact CG1-CZ2 4.2Å; V452-W516 HydrophobicContact CG2-CH2 4.1Å; V452-W516 HydrophobicContact CG2-CZ2 4.33Å; V452-D531 HydrophobicContact CG2-CB 4.3Å
453P98.8Very high97.8Very high0 Ų055.8 Ų55.80%027%0.269CS..EExtended strand (participates in β ladder)trans-74.3147.9175.413.9-8000112.2V359 F443 N505 Y512V359-P453 HydrophobicContact CG2-CB 4.24Å; V359-P453 HydrophobicContact CG2-CG 3.95Å; F443-P453 HydrophobicContact CD1-CB 4.06Å; F443-P453 HydrophobicContact CE1-CB 3.84Å; F443-P453 HydrophobicContact CE1-CG 4.37Å; P453-N505 HydrophobicContact CB-CB 4.16Å; P453-N505 HydrophobicContact CG-CB 3.67Å; P453-N505 PolarHBondContact O-N 2.93Å; P453-Y512 HydrophobicContact CG-CE2 3.68Å; P453-Y512 WeakPolarHBondContact CG-OH 3.17Å
454M98.9Very high97.6Very high0 Ų056.9 Ų56.90%028%0.276CS..EExtended strand (participates in β ladder)trans-144.9131.7168.9174.2168.459.200110.6V442 Y444 L456 L472 A502 V503 A535 Y538 L539V442-M454 HydrophobicContact CG2-CB 4.08Å; V442-M454 HydrophobicContact CG2-CE 3.85Å; V442-M454 HydrophobicContact CG2-CG 4.46Å; V442-M454 PolarHBondContact N-O 2.89Å; V442-M454 PolarHBondContact O-N 3.33Å; Y444-M454 HydrophobicContact CD1-CB 4.02Å; Y444-M454 HydrophobicContact CD1-CE 4.1Å; Y444-M454 HydrophobicContact CE1-CB 3.78Å; Y444-M454 HydrophobicContact CE1-CE 4.43Å; M454-L456 HydrophobicContact CE-CD2 4.06Å; M454-L456 HydrophobicContact CG-CD2 3.99Å; M454-L456 HydrophobicContact SD-CD2 4.13Å; M454-L472 HydrophobicContact SD-CD1 4.24Å; M454-A502 HydrophobicContact CG-CB 4.29Å; M454-A502 HydrophobicContact SD-CB 3.79Å; M454-V503 CarbonylContact C-O 3.59Å; M454-V503 VanDerWaalsContact CA-O 3.23Å; M454-V503 WeakPolarHBondContact CA-O 3.45Å; M454-V503 WeakPolarHBondContact CG-O 3.47Å; M454-A535 HydrophobicContact SD-CB 4.08Å; M454-Y538 HydrophobicContact CE-CD1 3.53Å; M454-Y538 HydrophobicContact CE-CE1 4.04Å; M454-Y538 HydrophobicContact CE-CG 4.32Å; M454-L539 HydrophobicContact CE-CD2 4.03Å; M454-L539 HydrophobicContact CE-CG 4.1Å; M454-L539 HydrophobicContact SD-CD1 4.33Å; M454-L539 HydrophobicContact SD-CD2 4.4Å; M454-L539 HydrophobicContact SD-CG 4.37Å
455F98.8Very high97.5Very high8 Ų860 Ų604%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-87.8138.2168.6-68.2-76.2000110.6V359 K360 F403 V439 K440 Q441 I457 P484 A502 V503V359-F455 HydrophobicContact CB-CE2 3.75Å; V359-F455 HydrophobicContact CB-CZ 4.03Å; V359-F455 HydrophobicContact CG1-CE2 3.84Å; K360-F455 HydrophobicContact CG-CZ 4.18Å; F403-F455 HydrophobicContact CE2-CB 3.57Å; F403-F455 HydrophobicContact CE2-CD1 4.03Å; F403-F455 AromaticContact CE2-CD2 3.8Å; F403-F455 HydrophobicContact CE2-CD2 3.8Å; F403-F455 HydrophobicContact CE2-CE2 4.46Å; F403-F455 AromaticContact CE2-CG 3.53Å; F403-F455 HydrophobicContact CE2-CG 3.53Å; F403-F455 HydrophobicContact CZ-CB 3.91Å; F403-F455 AromaticContact CZ-CD2 3.95Å; F403-F455 HydrophobicContact CZ-CD2 3.95Å; F403-F455 HydrophobicContact CZ-CG 4.04Å; V439-F455 HydrophobicContact CG1-CD1 3.98Å; K440-F455 CarbonylContact O-C 3.57Å; K440-F455 WeakPolarHBondContact O-CA 3.34Å; Q441-F455 HydrophobicContact CB-CD1 3.92Å; Q441-F455 HydrophobicContact CB-CE1 3.82Å; Q441-F455 HydrophobicContact CG-CD1 4.12Å; Q441-F455 HydrophobicContact CG-CE1 3.85Å; Q441-F455 HydrophobicContact CG-CZ 4.36Å; F455-I457 HydrophobicContact CB-CD1 4.49Å; F455-P484 HydrophobicContact CE1-CG 4.47Å; F455-P484 HydrophobicContact CE2-CG 3.89Å; F455-P484 HydrophobicContact CZ-CG 3.85Å; F455-A502 CarbonylContact O-C 3.54Å; F455-A502 VanDerWaalsContact O-CA 3.27Å; F455-A502 WeakPolarHBondContact O-CA 3.32Å; F455-V503 HydrophobicContact CB-CB 4.47Å; F455-V503 PolarHBondContact N-O 3.46Å; F455-V503 PolarHBondContact O-N 3.49Å
456L98.6Very high97.5Very high0 Ų058.1 Ų58.10%029%0.286CS..EExtended strand (participates in β ladder)trans-115.7122.5173-54-179.9000108.5V439 K440 V442 M454 L458 M500 V501 A502 L539 Y544V439-L456 CarbonylContact C-O 3.54Å; V439-L456 WeakPolarHBondContact CA-O 3.45Å; K440-L456 HydrophobicContact CB-CB 4.42Å; K440-L456 PolarHBondContact N-O 3.3Å; K440-L456 PolarHBondContact O-N 2.8Å; V442-L456 HydrophobicContact CG1-CD1 3.89Å; V442-L456 HydrophobicContact CG2-CD1 4.02Å; V442-L456 HydrophobicContact CG2-CG 4.1Å; M454-L456 HydrophobicContact CE-CD2 4.06Å; M454-L456 HydrophobicContact CG-CD2 3.99Å; M454-L456 HydrophobicContact SD-CD2 4.13Å; L456-L458 HydrophobicContact CB-CD2 3.64Å; L456-M500 HydrophobicContact CD2-CE 4.01Å; L456-V501 CarbonylContact C-O 3.54Å; L456-V501 WeakPolarHBondContact CA-O 3.15Å; L456-A502 HydrophobicContact CD2-CB 3.88Å; L456-L539 HydrophobicContact CD2-CD2 3.73Å; L456-Y544 HydrophobicContact CD1-CD1 4.26Å; L456-Y544 HydrophobicContact CD1-CE1 3.57Å; L456-Y544 HydrophobicContact CD1-CE2 4.04Å; L456-Y544 VanDerWaalsContact CD1-CZ 3.43Å; L456-Y544 WeakPolarHBondContact CD1-OH 3.36Å
457I98.4Very high97.3Very high5 Ų560.6 Ų60.63%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-109.9118.1174.9-50.186.8000107.3F403 L404 E438 V439 F455 L494 M500 V501 V503F403-I457 HydrophobicContact CB-CG1 3.81Å; F403-I457 HydrophobicContact CD1-CD1 3.98Å; F403-I457 HydrophobicContact CD1-CG1 4.19Å; F403-I457 HydrophobicContact CD2-CD1 4.13Å; F403-I457 HydrophobicContact CD2-CG1 3.99Å; F403-I457 HydrophobicContact CE1-CD1 4.16Å; F403-I457 HydrophobicContact CE2-CD1 4.3Å; F403-I457 HydrophobicContact CG-CD1 3.96Å; F403-I457 HydrophobicContact CG-CG1 3.73Å; F403-I457 HydrophobicContact CZ-CD1 4.3Å; L404-I457 HydrophobicContact CD2-CG2 4.18Å; E438-I457 WeakPolarHBondContact O-CA 3.28Å; V439-I457 HydrophobicContact CG2-CG1 4.2Å; V439-I457 HydrophobicContact CG2-CG2 4.41Å; F455-I457 HydrophobicContact CB-CD1 4.49Å; I457-L494 HydrophobicContact CG2-CD1 3.6Å; I457-L494 WeakPolarHBondContact O-CD2 3.26Å; I457-M500 WeakPolarHBondContact O-CA 3.27Å; I457-V501 HydrophobicContact CB-CB 4.29Å; I457-V501 HydrophobicContact CD1-CB 4.07Å; I457-V501 HydrophobicContact CD1-CG1 4.13Å; I457-V501 WeakPolarHBondContact CD1-O 3.43Å; I457-V501 PolarHBondContact N-O 2.71Å; I457-V501 PolarHBondContact O-N 2.96Å; I457-V503 HydrophobicContact CD1-CG2 4.25Å
458L97.6Very high97.3Very high1 Ų153.4 Ų53.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-146.9156.5-170.451.6126.5000112.1F437 E438 K440 L456 F462 M500F437-L458 CarbonylContact C-O 3.43Å; F437-L458 WeakPolarHBondContact CA-O 3.49Å; E438-L458 HydrophobicContact CG-CD1 3.84Å; E438-L458 HydrophobicContact CG-CG 3.96Å; E438-L458 PolarHBondContact N-O 2.71Å; E438-L458 PolarHBondContact O-N 3.06Å; E438-L458 VanDerWaalsContact OE1-CD1 3.23Å; E438-L458 WeakPolarHBondContact OE1-CD1 3.44Å; K440-L458 HydrophobicContact CD-CD2 4.32Å; L456-L458 HydrophobicContact CB-CD2 3.64Å; L458-F462 HydrophobicContact CB-CB 4.13Å; L458-F462 HydrophobicContact CB-CD2 3.97Å; L458-F462 HydrophobicContact CB-CG 4.09Å; L458-F462 HydrophobicContact CD1-CB 3.47Å; L458-F462 VanDerWaalsContact CD1-CB 3.47Å; L458-F462 HydrophobicContact CD1-CD1 4.26Å; L458-F462 HydrophobicContact CD1-CG 3.91Å; L458-F462 HydrophobicContact CG-CB 4.42Å; L458-M500 HydrophobicContact CB-CB 4.38Å
459P96.3Very high97.3Very high21 Ų2150.5 Ų50.514%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-58.7142.8166.9-22.633.5000111.8F437 N461 F462F437-P459 HydrophobicContact CD1-CB 4.42Å; F437-P459 HydrophobicContact CD1-CG 4.29Å; F437-P459 HydrophobicContact CE1-CG 4.26Å; P459-N461 WeakPolarHBondContact CB-OD1 3.48Å; P459-N461 PolarHBondContact O-N 2.62Å; P459-N461 VanDerWaalsContact O-N 3.1Å; P459-F462 WeakPolarHBondContact O-CB 3.3Å; P459-F462 PolarHBondContact O-N 2.99Å
460K95.9Very high97.3Very high126 Ų12644 Ų4455%0.54823%0.231SC..THydrogen-bonded Turntrans-59.7-25.1179.1-78.4-176.5176168.40114.4N435 Q436 F437 E438 F462N435-K460 WeakPolarHBondContact O-CD 3.37Å; N435-K460 WeakPolarHBondContact O-CE 3.35Å; N435-K460 PolarHBondContact O-NZ 3.37Å; Q436-K460 PolarHBondContact O-N 2.71Å; F437-K460 WeakPolarHBondContact O-CE 3.45Å; E438-K460 HydrophobicContact CB-CG 4.04Å; E438-K460 HydrophobicContact CG-CG 4.17Å; K460-F462 VanDerWaalsContact C-N 3.33Å
461N93.5Very high97.3Very high136 Ų13642.4 Ų42.473%0.72722%0.221SC*.THydrogen-bonded Turntrans-94.319.1176.366.5-13.5000113.2P459 Q463P459-N461 WeakPolarHBondContact CB-OD1 3.48Å; P459-N461 PolarHBondContact O-N 2.62Å; P459-N461 VanDerWaalsContact O-N 3.1Å; N461-Q463 PolarHBondContact O-N 2.96Å
462F96.1Very high97.3Very high41 Ų4138.7 Ų38.718%0.1820%0.198CC..  trans-57.5134.8-178.1-176.3-90.2000112.3L458 P459 K460 Q464 A468 M500 Y544L458-F462 HydrophobicContact CB-CB 4.13Å; L458-F462 HydrophobicContact CB-CD2 3.97Å; L458-F462 HydrophobicContact CB-CG 4.09Å; L458-F462 HydrophobicContact CD1-CB 3.47Å; L458-F462 VanDerWaalsContact CD1-CB 3.47Å; L458-F462 HydrophobicContact CD1-CD1 4.26Å; L458-F462 HydrophobicContact CD1-CG 3.91Å; L458-F462 HydrophobicContact CG-CB 4.42Å; P459-F462 WeakPolarHBondContact O-CB 3.3Å; P459-F462 PolarHBondContact O-N 2.99Å; K460-F462 VanDerWaalsContact C-N 3.33Å; F462-Q464 HydrophobicContact CD1-CG 4.08Å; F462-Q464 HydrophobicContact CE1-CB 4.47Å; F462-Q464 HydrophobicContact CE1-CG 3.72Å; F462-A468 HydrophobicContact CD2-CB 4.5Å; F462-A468 HydrophobicContact CE2-CB 3.44Å; F462-A468 VanDerWaalsContact CE2-CB 3.44Å; F462-A468 HydrophobicContact CZ-CB 3.89Å; F462-M500 HydrophobicContact CE1-SD 4.41Å; F462-M500 HydrophobicContact CE2-CB 3.97Å; F462-M500 HydrophobicContact CE2-CG 4.09Å; F462-M500 HydrophobicContact CE2-SD 3.63Å; F462-M500 HydrophobicContact CZ-CG 4.44Å; F462-M500 HydrophobicContact CZ-SD 3.41Å; F462-M500 WeakPolarHBondContact CZ-SD 3.21Å; F462-Y544 AromaticContact CE1-CD1 3.63Å; F462-Y544 HydrophobicContact CE1-CD1 3.63Å; F462-Y544 HydrophobicContact CE1-CE1 4.27Å; F462-Y544 HydrophobicContact CZ-CD1 4.01Å; F462-Y544 WeakPolarHBondContact CZ-O 3.44Å
463Q93.9Very high97.3Very high133 Ų13341 Ų4162%0.62121%0.207SC*.  trans-109.1120.7176.3-63.9-175-11.700110N461 N465N461-Q463 PolarHBondContact O-N 2.96Å; Q463-N465 WeakPolarHBondContact CB-ND2 3.44Å; Q463-N465 PolarHBondContact O-N 3.44Å; Q463-N465 PolarHBondContact O-OD1 3.31Å; Q463-N465 PolarHBondContact OE1-ND2 2.83Å
464Q95.3Very high97.3Very high112 Ų11241 Ų4152%0.52321%0.207SC..  trans-75.671.6173-70.6176.4-79.500110.9F462 H542 G543 Y544F462-Q464 HydrophobicContact CD1-CG 4.08Å; F462-Q464 HydrophobicContact CE1-CB 4.47Å; F462-Q464 HydrophobicContact CE1-CG 3.72Å; Q464-H542 PolarHBondContact NE2-O 3.43Å; Q464-H542 VanDerWaalsContact NE2-O 3.14Å; Q464-G543 CarbonylContact C-O 3.55Å; Q464-G543 WeakPolarHBondContact CA-O 3.04Å; Q464-Y544 HydrophobicContact CG-CD1 4.04Å; Q464-Y544 HydrophobicContact CG-CE1 3.97Å; Q464-Y544 PolarHBondContact NE2-OH 2.87Å
465N96.9Very high97.3Very high72 Ų7242.6 Ų42.639%0.38521%0.213SC..SBendtrans-127.923.9-176.764.311000113Q463 S467 G543Q463-N465 WeakPolarHBondContact CB-ND2 3.44Å; Q463-N465 PolarHBondContact O-N 3.44Å; Q463-N465 PolarHBondContact O-OD1 3.31Å; Q463-N465 PolarHBondContact OE1-ND2 2.83Å; N465-S467 PolarHBondContact O-N 2.85Å; N465-S467 WeakPolarHBondContact OD1-CB 3.16Å; N465-S467 PolarHBondContact OD1-N 3.04Å; N465-S467 PolarHBondContact OD1-OG 3.24Å; N465-G543 PolarHBondContact N-O 2.9Å; N465-G543 VanDerWaalsContact N-O 3.07Å
466N97.2Very high97.3Very high69 Ų6942.3 Ų42.337%0.36921%0.213SC..SBendtrans62.812.9-178.1-60.8-57.7000115.2G543 T545 N546N466-G543 PolarHBondContact N-O 2.86Å; N466-G543 VanDerWaalsContact OD1-CA 3.24Å; N466-G543 WeakPolarHBondContact OD1-CA 3.5Å; N466-T545 PolarHBondContact OD1-O 3.47Å; N466-N546 HydrophobicContact CB-CB 4.35Å; N466-N546 PolarHBondContact O-ND2 3.28Å
467S95.8Very high97.3Very high57 Ų5742.3 Ų42.340%0.39921%0.213SC..  trans-93.5-17.9-172.174.50000115.1N465 K549N465-S467 PolarHBondContact O-N 2.85Å; N465-S467 WeakPolarHBondContact OD1-CB 3.16Å; N465-S467 PolarHBondContact OD1-N 3.04Å; N465-S467 PolarHBondContact OD1-OG 3.24Å; S467-K549 VanDerWaalsContact O-CD 3.23Å; S467-K549 WeakPolarHBondContact O-CD 3.49Å; S467-K549 WeakPolarHBondContact O-CE 3.22Å; S467-K549 PolarHBondContact O-NZ 3.46Å
468A97.2Very high97.3Very high7 Ų743.4 Ų43.46%0.05822%0.217CC..SBendtrans-79.6132.8-172.300000112.6F462 M500 T545F462-A468 HydrophobicContact CD2-CB 4.5Å; F462-A468 HydrophobicContact CE2-CB 3.44Å; F462-A468 VanDerWaalsContact CE2-CB 3.44Å; F462-A468 HydrophobicContact CZ-CB 3.89Å; A468-M500 HydrophobicContact CB-CG 4.27Å; A468-M500 HydrophobicContact CB-SD 4.5Å; A468-T545 VanDerWaalsContact O-CB 3.32Å; A468-T545 WeakPolarHBondContact O-CB 3.49Å; A468-T545 PolarHBondContact O-OG1 2.86Å
469P98.3Very high97.3Very high18 Ų1845.1 Ų45.112%0.11723%0.226CC..  trans-56.4134.7158.6-22.735.2000110.3F493 G499 M500 K549 L708P469-F493 HydrophobicContact CB-CE2 4.05Å; P469-F493 HydrophobicContact CB-CZ 3.66Å; P469-G499 CarbonylContact O-C 3.53Å; P469-G499 WeakPolarHBondContact O-CA 3.31Å; P469-M500 PolarHBondContact O-N 2.82Å; P469-K549 CarbonylContact C-O 3.48Å; P469-K549 WeakPolarHBondContact CA-O 3.46Å; P469-L708 HydrophobicContact CB-CD2 3.75Å; P469-L708 HydrophobicContact CG-CD2 3.88Å
470C98.8Very high97.4Very high0 Ų047.8 Ų47.80%024%0.239CC..EExtended strand (participates in β ladder)trans-128.9130.2-176.5-1780000111.4M500 T545 K549 L550 Y551C470-M500 WeakPolarHBondContact CA-O 3.36Å; C470-M500 HydrophobicContact CB-CG 3.85Å; C470-M500 HydrophobicContact CB-SD 4.44Å; C470-T545 HydrophobicContact CB-CG2 3.52Å; C470-K549 PolarHBondContact N-O 3.43Å; C470-L550 HydrophobicContact CB-CD1 3.89Å; C470-Y551 WeakPolarHBondContact O-CD1 3.4Å; C470-Y551 PolarHBondContact O-N 3.11Å
471Q98.9Very high97.5Very high6 Ų642.9 Ų42.93%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-92.2127.7163.2-177.7179.342.900108.7F493 M500 V501 A502 Y551Q471-F493 HydrophobicContact CB-CD1 4.4Å; Q471-F493 HydrophobicContact CB-CE1 4.08Å; Q471-M500 PolarHBondContact N-O 3.04Å; Q471-V501 HydrophobicContact CB-CG1 4.33Å; Q471-V501 HydrophobicContact CB-CG2 4.22Å; Q471-V501 HydrophobicContact CG-CG1 4.45Å; Q471-V501 CarbonylContact O-C 3.51Å; Q471-A502 PolarHBondContact O-N 3.29Å; Q471-Y551 HydrophobicContact CB-CD1 4.35Å; Q471-Y551 HydrophobicContact CB-CE1 3.53Å; Q471-Y551 HydrophobicContact CB-CE2 4.03Å; Q471-Y551 VanDerWaalsContact CB-OH 3.29Å; Q471-Y551 WeakPolarHBondContact CB-OH 3.1Å; Q471-Y551 HydrophobicContact CG-CD2 4.45Å; Q471-Y551 HydrophobicContact CG-CE1 4.08Å; Q471-Y551 HydrophobicContact CG-CE2 3.6Å; Q471-Y551 VanDerWaalsContact CG-OH 3.25Å; Q471-Y551 WeakPolarHBondContact CG-OH 3.16Å; Q471-Y551 PolarHBondContact NE2-OH 2.82Å
472L98.9Very high97.8Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-112.1118.6166.6171.862.1000109.5M454 A502 A504 F532 A535 A536 L539 L550 Y551 I552 Q553M454-L472 HydrophobicContact SD-CD1 4.24Å; L472-A502 WeakPolarHBondContact CA-O 3.49Å; L472-A502 HydrophobicContact CD1-CB 3.89Å; L472-A504 HydrophobicContact CD1-CB 4Å; L472-F532 HydrophobicContact CD1-CD2 4.43Å; L472-F532 HydrophobicContact CD1-CE2 3.85Å; L472-F532 HydrophobicContact CD1-CZ 4.45Å; L472-F532 HydrophobicContact CD2-CD2 4.33Å; L472-F532 HydrophobicContact CD2-CE1 4.42Å; L472-F532 HydrophobicContact CD2-CE2 4.01Å; L472-F532 HydrophobicContact CD2-CZ 4.07Å; L472-F532 HydrophobicContact CG-CD2 4.27Å; L472-F532 HydrophobicContact CG-CE1 4.43Å; L472-F532 HydrophobicContact CG-CE2 3.53Å; L472-F532 HydrophobicContact CG-CZ 3.65Å; L472-A535 HydrophobicContact CD1-CB 4.08Å; L472-A535 HydrophobicContact CD2-CB 4.11Å; L472-A536 HydrophobicContact CD2-CB 3.87Å; L472-L539 HydrophobicContact CB-CD1 4.45Å; L472-L539 HydrophobicContact CD1-CD1 4.35Å; L472-L539 HydrophobicContact CD2-CD1 4.47Å; L472-L550 HydrophobicContact CB-CD1 3.89Å; L472-Y551 PolarHBondContact N-O 3.23Å; L472-I552 HydrophobicContact CB-CG2 4.15Å; L472-I552 HydrophobicContact CD2-CG2 4.12Å; L472-I552 HydrophobicContact CG-CG2 4.33Å; L472-I552 CarbonylContact O-C 3.45Å; L472-I552 VanDerWaalsContact O-CA 3.3Å; L472-I552 WeakPolarHBondContact O-CA 3.24Å; L472-Q553 PolarHBondContact O-N 2.76Å
473Y98.9Very high97.9Very high50 Ų5036 Ų3620%0.19619%0.187CC..EExtended strand (participates in β ladder)trans-111.2141.5-178.3-179.8-90.5000112.1V482 A502 V503 A504 Q553Y473-V482 HydrophobicContact CD1-CG1 4.12Å; Y473-V482 HydrophobicContact CE1-CG1 3.8Å; Y473-A502 PolarHBondContact N-O 3.22Å; Y473-V503 HydrophobicContact CD1-CG1 4.28Å; Y473-A504 PolarHBondContact O-N 3.39Å; Y473-Q553 WeakPolarHBondContact CA-O 3.42Å; Y473-Q553 HydrophobicContact CD2-CB 4.41Å; Y473-Q553 HydrophobicContact CD2-CG 4.38Å; Y473-Q553 WeakPolarHBondContact CD2-O 3.43Å
474G98.9Very high98.1Very high0 Ų029.8 Ų29.80%016%0.158CC..  trans-157.9164.7176.400000113.8Q553G474-Q553 PolarHBondContact N-O 3.03Å
475Y98.9Very high98.1Very high33 Ų3326.7 Ų26.713%0.12915%0.148CC..  trans-130.1-69.8175.5-172.4-97.4000111.4G477 F478 I480 G555 N557Y475-G477 WeakPolarHBondContact CE1-O 3.34Å; Y475-F478 HydrophobicContact CE1-CD2 4.25Å; Y475-I480 HydrophobicContact CD1-CB 4.12Å; Y475-I480 HydrophobicContact CD1-CG2 4.27Å; Y475-I480 HydrophobicContact CE1-CB 3.95Å; Y475-I480 HydrophobicContact CE1-CD1 3.69Å; Y475-I480 HydrophobicContact CE1-CG1 4.31Å; Y475-I480 HydrophobicContact CE1-CG2 4.36Å; Y475-G555 WeakPolarHBondContact CE2-O 3.45Å; Y475-N557 HydrophobicContact CD2-CB 4.45Å; Y475-N557 HydrophobicContact CE1-CB 4.03Å; Y475-N557 WeakPolarHBondContact CE1-ND2 3.48Å; Y475-N557 HydrophobicContact CE2-CB 3.84Å; Y475-N557 PolarHBondContact O-ND2 2.85Å
476G98.7Very high98.1Very high2 Ų224.6 Ų24.62%0.02114%0.136CC..  trans67.569.117100000114.8I506 R507 K525 N557G476-I506 VanDerWaalsContact CA-CG1 3.47Å; G476-R507 WeakPolarHBondContact CA-O 3.04Å; G476-K525 PolarHBondContact O-NZ 2.96Å; G476-N557 PolarHBondContact O-ND2 3.47Å
477G98.7Very high98.1Very high0 Ų023.2 Ų23.20%013%0.132CC..  trans169.8168.917700000112.8Y475 N479 I480 G508 N557Y475-G477 WeakPolarHBondContact CE1-O 3.34Å; G477-N479 PolarHBondContact O-N 3.23Å; G477-N479 VanDerWaalsContact O-N 3.15Å; G477-I480 PolarHBondContact O-N 2.69Å; G477-G508 CarbonylContact C-O 3.6Å; G477-G508 VanDerWaalsContact CA-C 3.45Å; G477-G508 WeakPolarHBondContact CA-O 3.45Å; G477-G508 PolarHBondContact N-O 3.16Å; G477-N557 PolarHBondContact N-ND2 3.15Å
478F98.5Very high98.2Very high28 Ų2820.9 Ų20.912%0.12312%0.115CC..THydrogen-bonded Turntrans5826.6169.8-58.4-89.4000114.8C257 Y475 I480 G508 N557 W597 D600 Y601C257-F478 HydrophobicContact CB-CD1 3.8Å; C257-F478 HydrophobicContact CB-CE1 4.22Å; Y475-F478 HydrophobicContact CE1-CD2 4.25Å; F478-I480 HydrophobicContact CB-CD1 4.22Å; F478-I480 HydrophobicContact CB-CG1 4.39Å; F478-I480 PolarHBondContact O-N 2.86Å; F478-I480 VanDerWaalsContact O-N 3.08Å; F478-G508 PolarHBondContact N-O 2.91Å; F478-N557 HydrophobicContact CD2-CB 3.99Å; F478-N557 HydrophobicContact CE2-CB 3.73Å; F478-W597 HydrophobicContact CE1-CB 3.8Å; F478-W597 AromaticContact CE1-CD1 4Å; F478-W597 HydrophobicContact CE1-CG 4.03Å; F478-W597 HydrophobicContact CZ-CB 3.86Å; F478-W597 HydrophobicContact CZ-CG 4.13Å; F478-D600 WeakPolarHBondContact CA-OD1 3.46Å; F478-D600 HydrophobicContact CD1-CB 4Å; F478-D600 HydrophobicContact CD2-CB 4.47Å; F478-D600 HydrophobicContact CE1-CB 3.63Å; F478-D600 HydrophobicContact CE2-CB 4.1Å; F478-D600 HydrophobicContact CG-CB 4.41Å; F478-D600 HydrophobicContact CZ-CB 3.67Å; F478-D600 PolarHBondContact N-OD1 2.85Å; F478-Y601 AromaticContact CE2-CE1 3.99Å; F478-Y601 HydrophobicContact CE2-CE1 3.99Å; F478-Y601 HydrophobicContact CE2-CE2 4.36Å; F478-Y601 AromaticContact CE2-CZ 3.71Å; F478-Y601 HydrophobicContact CZ-CD2 4.43Å; F478-Y601 HydrophobicContact CZ-CE1 4.07Å; F478-Y601 AromaticContact CZ-CE2 3.86Å; F478-Y601 HydrophobicContact CZ-CE2 3.86Å; F478-Y601 AromaticContact CZ-CZ 3.67Å
479N98.2Very high98.2Very high36 Ų3620.8 Ų20.819%0.19312%0.115CC..THydrogen-bonded Turntrans58.320.9-178-16546.8000113.4G477 G508 G510 H517G477-N479 PolarHBondContact O-N 3.23Å; G477-N479 VanDerWaalsContact O-N 3.15Å; N479-G508 PolarHBondContact N-O 3.41Å; N479-G510 WeakPolarHBondContact O-CA 3.49Å; N479-G510 VanDerWaalsContact OD1-CA 3.25Å; N479-G510 WeakPolarHBondContact OD1-CA 3.23Å; N479-H517 HydrophobicContact CB-CB 4.25Å; N479-H517 PolarHBondContact N-CD2 3.15Å; N479-H517 VanDerWaalsContact N-CD2 3.33Å
480I98.3Very high98.2Very high77 Ų7721.3 Ų21.340%0.39512%0.115SC..  trans-87.2117.6179.6-69.9171000109.3Y475 G477 F478 G509Y475-I480 HydrophobicContact CD1-CB 4.12Å; Y475-I480 HydrophobicContact CD1-CG2 4.27Å; Y475-I480 HydrophobicContact CE1-CB 3.95Å; Y475-I480 HydrophobicContact CE1-CD1 3.69Å; Y475-I480 HydrophobicContact CE1-CG1 4.31Å; Y475-I480 HydrophobicContact CE1-CG2 4.36Å; G477-I480 PolarHBondContact O-N 2.69Å; F478-I480 HydrophobicContact CB-CD1 4.22Å; F478-I480 HydrophobicContact CB-CG1 4.39Å; F478-I480 PolarHBondContact O-N 2.86Å; F478-I480 VanDerWaalsContact O-N 3.08Å; I480-G509 VanDerWaalsContact O-CA 3.22Å; I480-G509 WeakPolarHBondContact O-CA 3.38Å
481S98.5Very high98.1Very high24 Ų2421.6 Ų21.617%0.16812%0.116CC..  trans-78127.6171.8-60.40000111.1T483 E511S481-T483 PolarHBondContact O-N 2.89Å; S481-E511 PolarHBondContact OG-N 2.97Å
482V98.6Very high98Very high18 Ų1821.3 Ų21.311%0.10912%0.115CC..  trans-88.486.3174.7-175.30000109.9Y473 V503 N505 E511Y473-V482 HydrophobicContact CD1-CG1 4.12Å; Y473-V482 HydrophobicContact CE1-CG1 3.8Å; V482-V503 HydrophobicContact CG1-CG1 3.56Å; V482-N505 PolarHBondContact O-ND2 3.07Å; V482-E511 PolarHBondContact N-OE1 3.4Å
483T98.2Very high98Very high14 Ų1421.3 Ų21.39%0.08612%0.115CC..  trans-88.8162.1-171.759.60000114L356 V359 Y383 S481 S485L356-T483 HydrophobicContact CD1-CG2 3.89Å; L356-T483 HydrophobicContact CD2-CG2 4.09Å; V359-T483 HydrophobicContact CG1-CG2 4.32Å; Y383-T483 VanDerWaalsContact CD1-OG1 3.23Å; Y383-T483 WeakPolarHBondContact CD1-OG1 3.17Å; Y383-T483 VanDerWaalsContact CD2-CB 3.47Å; Y383-T483 HydrophobicContact CD2-CG2 3.66Å; Y383-T483 WeakPolarHBondContact CD2-OG1 3.37Å; Y383-T483 WeakPolarHBondContact CE1-OG1 3.44Å; Y383-T483 HydrophobicContact CE2-CG2 3.63Å; Y383-T483 HydrophobicContact CG-CG2 4.3Å; Y383-T483 VanDerWaalsContact CG-OG1 3.29Å; S481-T483 PolarHBondContact O-N 2.89Å; T483-S485 PolarHBondContact O-N 3.22Å; T483-S485 VanDerWaalsContact O-N 3.16Å; T483-S485 PolarHBondContact O-OG 2.79Å
484P97.7Very high97.9Very high3 Ų319.2 Ų19.22%0.01911%0.107CC..  trans-53.3119.1174.5-28.135.6000112.5V359 Y383 F403 F455V359-P484 WeakPolarHBondContact O-CD 3.35Å; Y383-P484 WeakPolarHBondContact CB-O 3.38Å; F403-P484 HydrophobicContact CD2-CB 3.99Å; F403-P484 HydrophobicContact CE2-CB 3.72Å; F403-P484 HydrophobicContact CE2-CG 3.94Å; F403-P484 HydrophobicContact CZ-CB 4.14Å; F403-P484 HydrophobicContact CZ-CG 4.38Å; F455-P484 HydrophobicContact CE1-CG 4.47Å; F455-P484 HydrophobicContact CE2-CG 3.89Å; F455-P484 HydrophobicContact CZ-CG 3.85Å
485S96.3Very high97.8Very high46 Ų4621.2 Ų21.232%0.32212%0.117SC..  trans-148.5143.5-178.346.60000111.2S402 F403 T483S402-S485 CarbonylContact O-C 3.57Å; F403-S485 WeakPolarHBondContact CD1-O 3.34Å; T483-S485 PolarHBondContact O-N 3.22Å; T483-S485 VanDerWaalsContact O-N 3.16Å; T483-S485 PolarHBondContact O-OG 2.79Å
486F97Very high97.7Very high28 Ų2820 Ų2012%0.12311%0.112CC..  trans-70.8140.5179.9-175.2-103000111.6Y75 T401 S402 F403 P406 I429 V488 L491Y75-F486 HydrophobicContact CE1-CE1 4.21Å; T401-F486 PolarHBondContact OG1-N 2.86Å; S402-F486 WeakPolarHBondContact O-CA 3.36Å; S402-F486 WeakPolarHBondContact O-CB 3.37Å; S402-F486 PolarHBondContact O-N 3.21Å; S402-F486 VanDerWaalsContact O-N 3.15Å; F403-F486 WeakPolarHBondContact O-CD2 3.1Å; P406-F486 HydrophobicContact CB-CD1 3.94Å; P406-F486 HydrophobicContact CB-CE1 4.32Å; P406-F486 HydrophobicContact CB-CG 4.1Å; P406-F486 HydrophobicContact CG-CD1 4.18Å; P406-F486 HydrophobicContact CG-CD2 4.13Å; P406-F486 HydrophobicContact CG-CE1 4.21Å; P406-F486 HydrophobicContact CG-CE2 4.18Å; P406-F486 HydrophobicContact CG-CG 4.17Å; P406-F486 HydrophobicContact CG-CZ 4.26Å; I429-F486 HydrophobicContact CD1-CE1 3.96Å; I429-F486 HydrophobicContact CD1-CE2 3.76Å; I429-F486 HydrophobicContact CD1-CZ 3.2Å; I429-F486 HydrophobicContact CG1-CZ 4.33Å; F486-V488 HydrophobicContact CE1-CG2 3.8Å; F486-L491 HydrophobicContact CE2-CB 4.41Å; F486-L491 HydrophobicContact CE2-CD2 3.97Å; F486-L491 HydrophobicContact CZ-CB 4.3Å; F486-L491 HydrophobicContact CZ-CD2 3.72Å
487S97.4Very high97.6Very high40 Ų4020 Ų2028%0.2811%0.112SC..  trans-141.1121.1174.9172.90000110.5G489 R490 L491S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 3.25Å; S487-G489 PolarHBondContact OG-N 2.91Å; S487-R490 PolarHBondContact O-N 3.49Å; S487-R490 PolarHBondContact OG-N 3.34Å; S487-L491 PolarHBondContact O-N 3.18Å
488V96.9Very high97.4Very high8 Ų820.7 Ų20.75%0.04812%0.119CC..Hα-helixtrans-57.9-42.4174.6173.40000110.7L69 I72 W73 Y75 F486 R490 L491 F492L69-V488 HydrophobicContact CD1-CG1 3.71Å; L69-V488 HydrophobicContact CG-CG1 4.38Å; I72-V488 HydrophobicContact CB-CG1 4Å; I72-V488 HydrophobicContact CG2-CB 4.43Å; I72-V488 HydrophobicContact CG2-CG1 3.72Å; W73-V488 HydrophobicContact CB-CG1 4.12Å; W73-V488 HydrophobicContact CB-CG2 4.48Å; W73-V488 HydrophobicContact CD2-CB 4.01Å; W73-V488 HydrophobicContact CD2-CG1 3.84Å; W73-V488 HydrophobicContact CD2-CG2 3.98Å; W73-V488 HydrophobicContact CE3-CB 3.68Å; W73-V488 HydrophobicContact CE3-CG1 3.31Å; W73-V488 HydrophobicContact CE3-CG2 4.19Å; W73-V488 HydrophobicContact CG-CG1 4.22Å; W73-V488 HydrophobicContact CG-CG2 4.13Å; W73-V488 HydrophobicContact CZ3-CB 4.05Å; W73-V488 HydrophobicContact CZ3-CG1 3.99Å; Y75-V488 HydrophobicContact CE1-CG2 3.91Å; F486-V488 HydrophobicContact CE1-CG2 3.8Å; V488-R490 PolarHBondContact O-N 2.64Å; V488-L491 PolarHBondContact O-N 2.87Å; V488-F492 WeakPolarHBondContact O-CB 3.41Å; V488-F492 PolarHBondContact O-N 3.16Å
489G97.3Very high97.3Very high6 Ų619.4 Ų19.46%0.06211%0.113CC..Hα-helixtrans-60.5-45.7176.500000112.6S487 F492 F493 Y699S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 3.25Å; S487-G489 PolarHBondContact OG-N 2.91Å; G489-F492 WeakPolarHBondContact O-CB 3.48Å; G489-F492 PolarHBondContact O-N 3.02Å; G489-F493 PolarHBondContact O-N 3.36Å; G489-F493 VanDerWaalsContact O-N 3.11Å; G489-Y699 VanDerWaalsContact C-OH 3.22Å; G489-Y699 WeakPolarHBondContact O-CE2 3.41Å; G489-Y699 PolarHBondContact O-OH 2.62Å
490R98Very high97.3Very high29 Ų2917.7 Ų17.711%0.10910%0.104CC..Hα-helixtrans-62.9-46.3178-69.8178.5-179.9149.91.2111.5S487 V488 F492 F493 L494 V501S487-R490 PolarHBondContact O-N 3.49Å; S487-R490 PolarHBondContact OG-N 3.34Å; V488-R490 PolarHBondContact O-N 2.64Å; R490-F492 VanDerWaalsContact C-N 3.33Å; R490-F492 PolarHBondContact O-N 2.94Å; R490-F493 WeakPolarHBondContact O-CB 3.34Å; R490-F493 PolarHBondContact O-N 3.45Å; R490-L494 WeakPolarHBondContact O-CG 3.37Å; R490-L494 PolarHBondContact O-N 3Å; R490-V501 HydrophobicContact CB-CG2 4.08Å; R490-V501 HydrophobicContact CG-CG1 4.18Å; R490-V501 HydrophobicContact CG-CG2 4.15Å
491L97.4Very high97.3Very high5 Ų514 Ų143%0.0269%0.086CC..Hα-helixtrans-59.9-44.4177.8178.159.7000111.8I72 I429 V432 L434 F437 F486 S487 V488 F493 L494 M495I72-L491 HydrophobicContact CG2-CD2 3.65Å; I72-L491 HydrophobicContact CG2-CG 4.27Å; I429-L491 HydrophobicContact CD1-CD2 3.3Å; V432-L491 HydrophobicContact CG1-CD1 4.35Å; V432-L491 HydrophobicContact CG1-CD2 4.24Å; L434-L491 HydrophobicContact CD2-CD1 3.68Å; L434-L491 HydrophobicContact CD2-CD2 3.74Å; L434-L491 HydrophobicContact CD2-CG 4.39Å; F437-L491 HydrophobicContact CD2-CD1 4.14Å; F437-L491 HydrophobicContact CE2-CD1 3.65Å; F437-L491 HydrophobicContact CZ-CD1 4.33Å; F486-L491 HydrophobicContact CE2-CB 4.41Å; F486-L491 HydrophobicContact CE2-CD2 3.97Å; F486-L491 HydrophobicContact CZ-CB 4.3Å; F486-L491 HydrophobicContact CZ-CD2 3.72Å; S487-L491 PolarHBondContact O-N 3.18Å; V488-L491 PolarHBondContact O-N 2.87Å; L491-F493 VanDerWaalsContact C-N 3.31Å; L491-F493 PolarHBondContact O-N 2.85Å; L491-L494 PolarHBondContact O-N 3.4Å; L491-M495 HydrophobicContact CD1-CG 4.08Å; L491-M495 HydrophobicContact CD1-SD 3.79Å; L491-M495 HydrophobicContact CD2-SD 4.37Å; L491-M495 HydrophobicContact CG-CG 4.47Å; L491-M495 HydrophobicContact CG-SD 3.73Å; L491-M495 WeakPolarHBondContact O-CG 3.47Å; L491-M495 PolarHBondContact O-N 3.24Å
492F97.4Very high97.3Very high0 Ų012.9 Ų12.90%08%0.078CC..Hα-helixtrans-55.8-44.2174.8173.3-87.9000112.2I65 K68 L69 I72 V488 G489 R490 M495 H496 F497 Y699 W710I65-F492 HydrophobicContact CB-CZ 3.98Å; I65-F492 HydrophobicContact CG1-CZ 3.91Å; I65-F492 HydrophobicContact CG2-CE1 4.08Å; I65-F492 HydrophobicContact CG2-CE2 4.38Å; I65-F492 HydrophobicContact CG2-CZ 3.69Å; K68-F492 HydrophobicContact CB-CD2 4.31Å; K68-F492 HydrophobicContact CB-CE2 3.87Å; L69-F492 HydrophobicContact CB-CD2 4.01Å; L69-F492 HydrophobicContact CB-CE2 4.29Å; L69-F492 HydrophobicContact CD1-CB 3.78Å; L69-F492 HydrophobicContact CD1-CD2 4.11Å; L69-F492 HydrophobicContact CD1-CG 3.9Å; I72-F492 HydrophobicContact CD1-CB 4.01Å; I72-F492 HydrophobicContact CD1-CD2 4.12Å; V488-F492 WeakPolarHBondContact O-CB 3.41Å; V488-F492 PolarHBondContact O-N 3.16Å; G489-F492 WeakPolarHBondContact O-CB 3.48Å; G489-F492 PolarHBondContact O-N 3.02Å; R490-F492 VanDerWaalsContact C-N 3.33Å; R490-F492 PolarHBondContact O-N 2.94Å; F492-M495 PolarHBondContact O-N 2.87Å; F492-H496 AromaticContact CD2-CD2 3.64Å; F492-H496 HydrophobicContact CE2-CB 4.21Å; F492-H496 AromaticContact CE2-CD2 3.72Å; F492-H496 HydrophobicContact CZ-CB 4.2Å; F492-H496 PolarHBondContact O-N 3.37Å; F492-F497 HydrophobicContact CE1-CD2 4.1Å; F492-F497 AromaticContact CE1-CE2 3.71Å; F492-F497 HydrophobicContact CE1-CE2 3.71Å; F492-F497 HydrophobicContact CZ-CE2 4.36Å; F492-Y699 HydrophobicContact CD1-CD1 4.47Å; F492-Y699 AromaticContact CD1-CD2 3.45Å; F492-Y699 HydrophobicContact CD1-CD2 3.45Å; F492-Y699 VanDerWaalsContact CD1-CD2 3.45Å; F492-Y699 AromaticContact CD1-CE2 3.51Å; F492-Y699 HydrophobicContact CD1-CE2 3.51Å; F492-Y699 AromaticContact CD1-CG 3.98Å; F492-Y699 HydrophobicContact CD1-CG 3.98Å; F492-Y699 HydrophobicContact CE1-CD1 4.37Å; F492-Y699 AromaticContact CE1-CD2 3.6Å; F492-Y699 HydrophobicContact CE1-CD2 3.6Å; F492-Y699 HydrophobicContact CE1-CE2 4.14Å; F492-Y699 AromaticContact CE1-CG 3.75Å; F492-Y699 HydrophobicContact CE1-CG 3.75Å; F492-Y699 HydrophobicContact CG-CE2 4.4Å; F492-W710 HydrophobicContact CE2-CH2 4.2Å; F492-W710 HydrophobicContact CE2-CZ3 4.41Å; F492-W710 HydrophobicContact CZ-CH2 4.09Å; F492-W710 AromaticContact CZ-CZ3 3.84Å; F492-W710 HydrophobicContact CZ-CZ3 3.84Å
493F97.9Very high97.3Very high0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-65-40.8178.2178.3-114.5000113.2P469 Q471 G489 R490 L491 F497 G498 G499 M500 V501 Y551 Y699 L708P469-F493 HydrophobicContact CB-CE2 4.05Å; P469-F493 HydrophobicContact CB-CZ 3.66Å; Q471-F493 HydrophobicContact CB-CD1 4.4Å; Q471-F493 HydrophobicContact CB-CE1 4.08Å; G489-F493 PolarHBondContact O-N 3.36Å; G489-F493 VanDerWaalsContact O-N 3.11Å; R490-F493 WeakPolarHBondContact O-CB 3.34Å; R490-F493 PolarHBondContact O-N 3.45Å; L491-F493 VanDerWaalsContact C-N 3.31Å; L491-F493 PolarHBondContact O-N 2.85Å; F493-F497 HydrophobicContact CD2-CB 3.85Å; F493-F497 AromaticContact CD2-CD2 3.98Å; F493-F497 HydrophobicContact CD2-CD2 3.98Å; F493-F497 HydrophobicContact CD2-CG 4.35Å; F493-F497 HydrophobicContact CE2-CB 4.02Å; F493-F497 PolarHBondContact O-N 3.41Å; F493-G498 PolarHBondContact O-N 3.23Å; F493-G499 PolarHBondContact O-N 2.85Å; F493-M500 WeakPolarHBondContact CE1-O 3.47Å; F493-V501 HydrophobicContact CD1-CG2 4.02Å; F493-Y551 HydrophobicContact CE1-CE1 4.13Å; F493-Y551 AromaticContact CE2-CE1 3.91Å; F493-Y551 HydrophobicContact CE2-CE1 3.91Å; F493-Y551 HydrophobicContact CZ-CD1 4.48Å; F493-Y551 AromaticContact CZ-CE1 3.68Å; F493-Y551 HydrophobicContact CZ-CE1 3.68Å; F493-Y699 HydrophobicContact CB-CE1 3.81Å; F493-Y699 WeakPolarHBondContact CB-OH 3.47Å; F493-Y699 HydrophobicContact CD2-CD1 4.47Å; F493-Y699 AromaticContact CD2-CE1 3.82Å; F493-Y699 HydrophobicContact CD2-CE1 3.82Å; F493-Y699 HydrophobicContact CG-CE1 4.13Å; F493-L708 HydrophobicContact CE2-CD1 4.12Å
494L97.2Very high97.4Very high6 Ų611.4 Ų11.43%0.0317%0.068CC..Hα-helixtrans-60.8-46.7174.7-63.8171.6000111.1F437 I457 R490 L491 G498 G499 V501F437-L494 HydrophobicContact CD1-CB 4.13Å; F437-L494 HydrophobicContact CD1-CD1 4.15Å; F437-L494 HydrophobicContact CE1-CB 3.6Å; F437-L494 HydrophobicContact CE1-CD1 4.42Å; F437-L494 HydrophobicContact CG-CD1 4.39Å; F437-L494 HydrophobicContact CZ-CB 3.99Å; I457-L494 HydrophobicContact CG2-CD1 3.6Å; I457-L494 WeakPolarHBondContact O-CD2 3.26Å; R490-L494 WeakPolarHBondContact O-CG 3.37Å; R490-L494 PolarHBondContact O-N 3Å; L491-L494 PolarHBondContact O-N 3.4Å; L494-G498 VanDerWaalsContact O-CA 3.3Å; L494-G498 WeakPolarHBondContact O-CA 3.29Å; L494-G498 PolarHBondContact O-N 3.04Å; L494-G499 VanDerWaalsContact CD2-O 3.23Å; L494-G499 WeakPolarHBondContact CD2-O 3.47Å; L494-V501 HydrophobicContact CD2-CG2 4.22Å; L494-V501 HydrophobicContact CG-CG2 4.47Å
495M96.1Very high97.4Very high43 Ų4311.2 Ų11.221%0.2127%0.067CC..Hα-helixtrans-71.3-56.4-176.7-69.3171.763.100112.5I72 V432 F437 L491 F492I72-M495 HydrophobicContact CD1-CE 4.33Å; I72-M495 HydrophobicContact CD1-SD 3.93Å; V432-M495 HydrophobicContact CG1-CE 4.13Å; V432-M495 HydrophobicContact CG1-SD 3.73Å; V432-M495 HydrophobicContact CG2-CE 3.78Å; V432-M495 HydrophobicContact CG2-SD 4.07Å; F437-M495 HydrophobicContact CE2-CG 4.1Å; F437-M495 HydrophobicContact CZ-CG 3.68Å; L491-M495 HydrophobicContact CD1-CG 4.08Å; L491-M495 HydrophobicContact CD1-SD 3.79Å; L491-M495 HydrophobicContact CD2-SD 4.37Å; L491-M495 HydrophobicContact CG-CG 4.47Å; L491-M495 HydrophobicContact CG-SD 3.73Å; L491-M495 WeakPolarHBondContact O-CG 3.47Å; L491-M495 PolarHBondContact O-N 3.24Å; F492-M495 PolarHBondContact O-N 2.87Å
496H96.9Very high97.6Very high6 Ų69.1 Ų9.13%0.0285%0.053CC..Hα-helixtrans-100-9.3-163.3-65.3-59.4000114.8F492 W710 K711 E712F492-H496 AromaticContact CD2-CD2 3.64Å; F492-H496 HydrophobicContact CE2-CB 4.21Å; F492-H496 AromaticContact CE2-CD2 3.72Å; F492-H496 HydrophobicContact CZ-CB 4.2Å; F492-H496 PolarHBondContact O-N 3.37Å; H496-W710 HydrophobicContact CB-CE3 4.33Å; H496-W710 HydrophobicContact CB-CH2 3.95Å; H496-W710 HydrophobicContact CB-CZ2 4.33Å; H496-W710 HydrophobicContact CB-CZ3 3.95Å; H496-W710 CarbonylContact O-C 3.56Å; H496-W710 WeakPolarHBondContact O-CA 3.46Å; H496-K711 WeakPolarHBondContact CA-O 3.04Å; H496-K711 PolarHBondContact ND1-O 3.14Å; H496-K711 PolarHBondContact O-N 2.99Å; H496-E712 PolarHBondContact CE1-OXT 2.91Å
497F96.5Very high97.6Very high3 Ų38.2 Ų8.21%0.0135%0.048CC..SBendtrans-118.62.1168.8-67.8-58.8000112.9I65 F492 F493 G499 Y699 Q703 L708 W710I65-F497 HydrophobicContact CD1-CZ 4.36Å; F492-F497 HydrophobicContact CE1-CD2 4.1Å; F492-F497 AromaticContact CE1-CE2 3.71Å; F492-F497 HydrophobicContact CE1-CE2 3.71Å; F492-F497 HydrophobicContact CZ-CE2 4.36Å; F493-F497 HydrophobicContact CD2-CB 3.85Å; F493-F497 AromaticContact CD2-CD2 3.98Å; F493-F497 HydrophobicContact CD2-CD2 3.98Å; F493-F497 HydrophobicContact CD2-CG 4.35Å; F493-F497 HydrophobicContact CE2-CB 4.02Å; F493-F497 PolarHBondContact O-N 3.41Å; F497-G499 PolarHBondContact O-N 2.97Å; F497-Y699 HydrophobicContact CD2-CD1 4.2Å; F497-Y699 AromaticContact CE2-CD1 3.95Å; F497-Y699 HydrophobicContact CE2-CD1 3.95Å; F497-Y699 HydrophobicContact CE2-CG 4.18Å; F497-Q703 HydrophobicContact CE1-CB 4.19Å; F497-Q703 HydrophobicContact CE1-CG 3.86Å; F497-Q703 HydrophobicContact CZ-CB 3.93Å; F497-Q703 HydrophobicContact CZ-CG 4.02Å; F497-L708 HydrophobicContact CB-CD1 4.37Å; F497-L708 HydrophobicContact CD1-CB 3.47Å; F497-L708 VanDerWaalsContact CD1-CB 3.47Å; F497-L708 HydrophobicContact CD1-CD1 4.1Å; F497-L708 HydrophobicContact CD1-CG 4.42Å; F497-L708 HydrophobicContact CD2-CD1 4.08Å; F497-L708 HydrophobicContact CE1-CB 3.75Å; F497-L708 HydrophobicContact CE1-CD1 4.4Å; F497-L708 HydrophobicContact CE2-CD1 4.34Å; F497-L708 HydrophobicContact CG-CB 4.1Å; F497-L708 HydrophobicContact CG-CD1 3.93Å; F497-W710 HydrophobicContact CE1-CE3 4.08Å; F497-W710 HydrophobicContact CZ-CE3 4.2Å; F497-W710 HydrophobicContact CZ-CZ3 4.42Å
498G94.4Very high97.7Very high15 Ų156.3 Ų6.316%0.1554%0.035CC..  trans56.131.6-178.900000112.7F493 L494F493-G498 PolarHBondContact O-N 3.23Å; L494-G498 VanDerWaalsContact O-CA 3.3Å; L494-G498 WeakPolarHBondContact O-CA 3.29Å; L494-G498 PolarHBondContact O-N 3.04Å
499G96.6Very high97.8Very high0 Ų06 Ų60%03%0.033CC..  trans-82.2-177.6-175.800000113P469 F493 L494 F497P469-G499 CarbonylContact O-C 3.53Å; P469-G499 WeakPolarHBondContact O-CA 3.31Å; F493-G499 PolarHBondContact O-N 2.85Å; L494-G499 VanDerWaalsContact CD2-O 3.23Å; L494-G499 WeakPolarHBondContact CD2-O 3.47Å; F497-G499 PolarHBondContact O-N 2.97Å
500M98.4Very high97.8Very high0 Ų05.7 Ų5.70%03%0.03CC..EExtended strand (participates in β ladder)trans-131.1150.7166.863.6170.6-69.500110.2L456 I457 L458 F462 A468 P469 C470 Q471 F493 L539 Y544L456-M500 HydrophobicContact CD2-CE 4.01Å; I457-M500 WeakPolarHBondContact O-CA 3.27Å; L458-M500 HydrophobicContact CB-CB 4.38Å; F462-M500 HydrophobicContact CE1-SD 4.41Å; F462-M500 HydrophobicContact CE2-CB 3.97Å; F462-M500 HydrophobicContact CE2-CG 4.09Å; F462-M500 HydrophobicContact CE2-SD 3.63Å; F462-M500 HydrophobicContact CZ-CG 4.44Å; F462-M500 HydrophobicContact CZ-SD 3.41Å; F462-M500 WeakPolarHBondContact CZ-SD 3.21Å; A468-M500 HydrophobicContact CB-CG 4.27Å; A468-M500 HydrophobicContact CB-SD 4.5Å; P469-M500 PolarHBondContact O-N 2.82Å; C470-M500 WeakPolarHBondContact CA-O 3.36Å; C470-M500 HydrophobicContact CB-CG 3.85Å; C470-M500 HydrophobicContact CB-SD 4.44Å; Q471-M500 PolarHBondContact N-O 3.04Å; F493-M500 WeakPolarHBondContact CE1-O 3.47Å; M500-L539 HydrophobicContact CE-CD2 3.99Å; M500-Y544 HydrophobicContact CE-CD1 3.83Å; M500-Y544 HydrophobicContact CE-CG 4.16Å; M500-Y544 HydrophobicContact SD-CD1 4.08Å; M500-Y544 HydrophobicContact SD-CG 4.34Å
501V98.8Very high97.8Very high1 Ų14.4 Ų4.41%0.0063%0.025CC..EExtended strand (participates in β ladder)trans-113.8133177.9-178.10000109.8L456 I457 Q471 R490 F493 L494 V503L456-V501 CarbonylContact C-O 3.54Å; L456-V501 WeakPolarHBondContact CA-O 3.15Å; I457-V501 HydrophobicContact CB-CB 4.29Å; I457-V501 HydrophobicContact CD1-CB 4.07Å; I457-V501 HydrophobicContact CD1-CG1 4.13Å; I457-V501 WeakPolarHBondContact CD1-O 3.43Å; I457-V501 PolarHBondContact N-O 2.71Å; I457-V501 PolarHBondContact O-N 2.96Å; Q471-V501 HydrophobicContact CB-CG1 4.33Å; Q471-V501 HydrophobicContact CB-CG2 4.22Å; Q471-V501 HydrophobicContact CG-CG1 4.45Å; Q471-V501 CarbonylContact O-C 3.51Å; R490-V501 HydrophobicContact CB-CG2 4.08Å; R490-V501 HydrophobicContact CG-CG1 4.18Å; R490-V501 HydrophobicContact CG-CG2 4.15Å; F493-V501 HydrophobicContact CD1-CG2 4.02Å; L494-V501 HydrophobicContact CD2-CG2 4.22Å; L494-V501 HydrophobicContact CG-CG2 4.47Å; V501-V503 HydrophobicContact CG1-CG2 4.21Å
502A98.9Very high97.9Very high0 Ų06.2 Ų6.20%03%0.032CC..EExtended strand (participates in β ladder)trans-115132.1172.100000109.3M454 F455 L456 Q471 L472 Y473 L539M454-A502 HydrophobicContact CG-CB 4.29Å; M454-A502 HydrophobicContact SD-CB 3.79Å; F455-A502 CarbonylContact O-C 3.54Å; F455-A502 VanDerWaalsContact O-CA 3.27Å; F455-A502 WeakPolarHBondContact O-CA 3.32Å; L456-A502 HydrophobicContact CD2-CB 3.88Å; Q471-A502 PolarHBondContact O-N 3.29Å; L472-A502 WeakPolarHBondContact CA-O 3.49Å; L472-A502 HydrophobicContact CD1-CB 3.89Å; Y473-A502 PolarHBondContact N-O 3.22Å; A502-L539 HydrophobicContact CB-CD1 3.75Å; A502-L539 HydrophobicContact CB-CD2 4.19Å
503V98.9Very high97.9Very high0 Ų06.2 Ų6.20%03%0.032CC..EExtended strand (participates in β ladder)trans-121.8109.2176.7178.50000107.9F403 M454 F455 I457 Y473 V482 V501F403-V503 HydrophobicContact CE1-CG2 3.91Å; F403-V503 HydrophobicContact CZ-CB 4.3Å; F403-V503 HydrophobicContact CZ-CG2 4.12Å; M454-V503 CarbonylContact C-O 3.59Å; M454-V503 VanDerWaalsContact CA-O 3.23Å; M454-V503 WeakPolarHBondContact CA-O 3.45Å; M454-V503 WeakPolarHBondContact CG-O 3.47Å; F455-V503 HydrophobicContact CB-CB 4.47Å; F455-V503 PolarHBondContact N-O 3.46Å; F455-V503 PolarHBondContact O-N 3.49Å; I457-V503 HydrophobicContact CD1-CG2 4.25Å; Y473-V503 HydrophobicContact CD1-CG1 4.28Å; V482-V503 HydrophobicContact CG1-CG1 3.56Å; V501-V503 HydrophobicContact CG1-CG2 4.21Å
504A98.9Very high97.8Very high0 Ų08.4 Ų8.40%04%0.041CC..EExtended strand (participates in β ladder)trans-95.1121.4-176.400000111L472 Y473 I506 F532 A535L472-A504 HydrophobicContact CD1-CB 4Å; Y473-A504 PolarHBondContact O-N 3.39Å; A504-I506 VanDerWaalsContact C-N 3.27Å; A504-I506 HydrophobicContact CB-CG2 3.82Å; A504-I506 PolarHBondContact O-N 3.24Å; A504-I506 VanDerWaalsContact O-N 3.11Å; A504-F532 HydrophobicContact CB-CD2 4.12Å; A504-F532 HydrophobicContact CB-CE2 4.4Å; A504-A535 HydrophobicContact CB-CB 3.91Å
505N98.9Very high97.8Very high0 Ų011.1 Ų11.10%06%0.061CC..  trans-89.160.8-179.2-70.1107.5000111.1V359 V452 P453 V482 E511 W516V359-N505 HydrophobicContact CG2-CB 4.23Å; V452-N505 WeakPolarHBondContact CG1-O 3.35Å; P453-N505 HydrophobicContact CB-CB 4.16Å; P453-N505 HydrophobicContact CG-CB 3.67Å; P453-N505 PolarHBondContact O-N 2.93Å; V482-N505 PolarHBondContact O-ND2 3.07Å; N505-E511 HydrophobicContact CB-CG 4.06Å; N505-E511 PolarHBondContact ND2-OE1 2.92Å; N505-W516 WeakPolarHBondContact O-CZ2 3.36Å; N505-W516 PolarHBondContact O-NE1 3.43Å
506I98.9Very high97.9Very high2 Ų210.2 Ų10.21%0.016%0.055CC..  trans-67.6159.9-172.967.5-173.6000113V452 G476 A504 W516 D531 F532 L561V452-I506 HydrophobicContact CG1-CG2 4.42Å; G476-I506 VanDerWaalsContact CA-CG1 3.47Å; A504-I506 VanDerWaalsContact C-N 3.27Å; A504-I506 HydrophobicContact CB-CG2 3.82Å; A504-I506 PolarHBondContact O-N 3.24Å; A504-I506 VanDerWaalsContact O-N 3.11Å; I506-W516 PolarHBondContact O-NE1 2.88Å; I506-D531 HydrophobicContact CB-CB 3.69Å; I506-D531 HydrophobicContact CG2-CB 3.64Å; I506-F532 HydrophobicContact CD1-CB 4.19Å; I506-F532 HydrophobicContact CD1-CD2 4.39Å; I506-F532 HydrophobicContact CG2-CB 4.2Å; I506-F532 HydrophobicContact CG2-CD2 4.26Å; I506-L561 HydrophobicContact CD1-CD1 4.04Å; I506-L561 HydrophobicContact CD1-CD2 3.57Å; I506-L561 HydrophobicContact CD1-CG 4.44Å
507R98.9Very high98Very high9 Ų910 Ų103%0.0345%0.054CC..THydrogen-bonded Turntrans-59.2156.8176-71.8175.3-74.3178.5-1.8112.9D448 T450 G476 G509 W516 A519 S528 D531D448-R507 IonicContact OD1-CZ 2.74Å; D448-R507 IonicContact OD1-NH1 3.45Å; D448-R507 IonicContact OD1-NH2 3.76Å; D448-R507 PolarHBondContact OD1-NH2 3.12Å; D448-R507 IonicContact OD2-CZ 2.77Å; D448-R507 VanDerWaalsContact OD2-CZ 3.28Å; D448-R507 IonicContact OD2-NH1 2.65Å; D448-R507 PolarHBondContact OD2-NH1 3.3Å; D448-R507 IonicContact OD2-NH2 3.93Å; D448-R507 PolarHBondContact OD2-NH2 3.14Å; T450-R507 PolarHBondContact OG1-NH1 3.1Å; G476-R507 WeakPolarHBondContact CA-O 3.04Å; R507-G509 VanDerWaalsContact C-N 3.29Å; R507-W516 HydrophobicContact CG-CD2 3.73Å; R507-W516 HydrophobicContact CG-CE3 3.84Å; R507-W516 HydrophobicContact CG-CG 4.46Å; R507-W516 HydrophobicContact CG-CH2 3.74Å; R507-W516 HydrophobicContact CG-CZ2 3.61Å; R507-W516 HydrophobicContact CG-CZ3 3.85Å; R507-A519 HydrophobicContact CB-CB 4.45Å; R507-A519 HydrophobicContact CG-CB 4.24Å; R507-S528 WeakPolarHBondContact O-CB 3.49Å; R507-S528 PolarHBondContact O-OG 2.68Å; R507-D531 VanDerWaalsContact CB-OD2 3.26Å; R507-D531 WeakPolarHBondContact CB-OD2 3.34Å; R507-D531 VanDerWaalsContact CG-OD2 3.29Å; R507-D531 WeakPolarHBondContact CG-OD2 3.35Å; R507-D531 IonicContact CZ-OD1 3.46Å; R507-D531 IonicContact CZ-OD2 3.55Å; R507-D531 PolarHBondContact N-OD2 3.27Å; R507-D531 IonicContact NE-OD1 3.33Å; R507-D531 PolarHBondContact NE-OD1 2.87Å; R507-D531 IonicContact NE-OD2 3.76Å; R507-D531 PolarHBondContact NE-OD2 2.92Å; R507-D531 IonicContact NH2-OD1 3.31Å; R507-D531 PolarHBondContact NH2-OD1 3.11Å; R507-D531 IonicContact NH2-OD2 3.65Å
508G98.8Very high98.1Very high0 Ų012.1 Ų12.10%07%0.066CC..THydrogen-bonded Turntrans94.5-23.9-167.900000112.2G477 F478 N479 W516 H517G477-G508 CarbonylContact C-O 3.6Å; G477-G508 VanDerWaalsContact CA-C 3.45Å; G477-G508 WeakPolarHBondContact CA-O 3.45Å; G477-G508 PolarHBondContact N-O 3.16Å; F478-G508 PolarHBondContact N-O 2.91Å; N479-G508 PolarHBondContact N-O 3.41Å; G508-W516 PolarHBondContact N-O 3.04Å; G508-H517 PolarHBondContact O-CD2 3.02Å
509G98.7Very high98.3Very high0 Ų012.7 Ų12.70%07%0.069CC..SBendtrans-73.9-178169.600000113I480 R507 E511 W516 H517I480-G509 VanDerWaalsContact O-CA 3.22Å; I480-G509 WeakPolarHBondContact O-CA 3.38Å; R507-G509 VanDerWaalsContact C-N 3.29Å; G509-E511 VanDerWaalsContact CA-OE2 3.29Å; G509-E511 WeakPolarHBondContact CA-OE2 2.97Å; G509-W516 CarbonylContact O-C 3.44Å; G509-H517 VanDerWaalsContact O-CA 3.31Å; G509-H517 WeakPolarHBondContact O-CA 3.25Å; G509-H517 PolarHBondContact O-N 3.36Å; G509-H517 VanDerWaalsContact O-N 3.13Å
510G98Very high98.4Very high0 Ų012.7 Ų12.70%07%0.069CC..SBendtrans-99.51.2-178.600000114.6L339 N479 Y512 G513L339-G510 VanDerWaalsContact CD2-O 3.23Å; L339-G510 WeakPolarHBondContact CD2-O 3.39Å; N479-G510 WeakPolarHBondContact O-CA 3.49Å; N479-G510 VanDerWaalsContact OD1-CA 3.25Å; N479-G510 WeakPolarHBondContact OD1-CA 3.23Å; G510-Y512 PolarHBondContact O-N 2.89Å; G510-Y512 VanDerWaalsContact O-N 3.09Å; G510-G513 PolarHBondContact O-N 2.86Å
511E98.5Very high98.4Very high2 Ų213.6 Ų13.61%0.0097%0.072CC..THydrogen-bonded Turntrans-56.4-35.8-165.5-70.688.1164.500114V359 S481 V482 N505 G509V359-E511 HydrophobicContact CG1-CG 4.05Å; V359-E511 HydrophobicContact CG2-CB 4.13Å; V359-E511 HydrophobicContact CG2-CG 3.87Å; S481-E511 PolarHBondContact OG-N 2.97Å; V482-E511 PolarHBondContact N-OE1 3.4Å; N505-E511 HydrophobicContact CB-CG 4.06Å; N505-E511 PolarHBondContact ND2-OE1 2.92Å; G509-E511 VanDerWaalsContact CA-OE2 3.29Å; G509-E511 WeakPolarHBondContact CA-OE2 2.97Å
512Y98.3Very high98.3Very high44 Ų4416.3 Ų16.317%0.1739%0.086CC..THydrogen-bonded Turntrans-119.542.8173.2-54.3-81.4000111.5D358 P453 G510 S515 W516D358-Y512 PolarHBondContact OD1-OH 2.92Å; P453-Y512 HydrophobicContact CG-CE2 3.68Å; P453-Y512 WeakPolarHBondContact CG-OH 3.17Å; G510-Y512 PolarHBondContact O-N 2.89Å; G510-Y512 VanDerWaalsContact O-N 3.09Å; Y512-S515 PolarHBondContact O-OG 3.2Å; Y512-W516 AromaticContact CD2-CD2 3.72Å; Y512-W516 HydrophobicContact CD2-CD2 3.72Å; Y512-W516 AromaticContact CD2-CE2 3.94Å; Y512-W516 AromaticContact CD2-CE3 3.85Å; Y512-W516 HydrophobicContact CD2-CE3 3.85Å; Y512-W516 HydrophobicContact CD2-CG 4.15Å; Y512-W516 HydrophobicContact CD2-CH2 4.41Å; Y512-W516 HydrophobicContact CD2-CZ2 4.29Å; Y512-W516 HydrophobicContact CD2-CZ3 4.19Å; Y512-W516 HydrophobicContact CE2-CZ2 4.46Å; Y512-W516 HydrophobicContact CG-CE3 4.49Å
513G97.5Very high98.2Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans66.8-162.8171.400000114.5P311 G510 S515 W516 H517P311-G513 CarbonylContact O-C 3.56Å; P311-G513 WeakPolarHBondContact O-CA 3.19Å; G510-G513 PolarHBondContact O-N 2.86Å; G513-S515 PolarHBondContact O-N 3.16Å; G513-S515 VanDerWaalsContact O-N 3.15Å; G513-W516 WeakPolarHBondContact O-CB 3.16Å; G513-W516 PolarHBondContact O-N 2.97Å; G513-H517 PolarHBondContact O-N 2.85Å
514K96.1Very high98.2Very high46 Ų4623.2 Ų23.220%0.212%0.121CC..Hα-helixtrans-56.2-35.3-173-179.1162.8175.641.90113.4E258 P311 W516 H517 D518E258-K514 IonicContact OE1-NZ 3.15Å; E258-K514 PolarHBondContact OE1-NZ 3.45Å; P311-K514 HydrophobicContact CB-CB 4.16Å; P311-K514 PolarHBondContact O-N 2.85Å; K514-W516 VanDerWaalsContact C-N 3.32Å; K514-W516 PolarHBondContact O-N 3.31Å; K514-H517 PolarHBondContact O-N 3.25Å; K514-D518 WeakPolarHBondContact CE-OD2 3.44Å; K514-D518 WeakPolarHBondContact CG-OD2 3.29Å; K514-D518 IonicContact NZ-OD1 2.67Å; K514-D518 PolarHBondContact NZ-OD1 3.26Å; K514-D518 IonicContact NZ-OD2 2.76Å; K514-D518 PolarHBondContact NZ-OD2 3.43Å; K514-D518 WeakPolarHBondContact O-CB 3.38Å; K514-D518 VanDerWaalsContact O-CG 3.3Å; K514-D518 PolarHBondContact O-N 2.76Å
515S96.8Very high98.2Very high62 Ų6223.3 Ų23.343%0.43412%0.121SC..Hα-helixtrans-63-36176.238.50000113.3Y512 G513 A519Y512-S515 PolarHBondContact O-OG 3.2Å; G513-S515 PolarHBondContact O-N 3.16Å; G513-S515 VanDerWaalsContact O-N 3.15Å; S515-A519 VanDerWaalsContact O-CB 3.27Å; S515-A519 WeakPolarHBondContact O-CB 3.45Å; S515-A519 PolarHBondContact O-N 2.92Å; S515-A519 VanDerWaalsContact O-N 3.15Å
516W98.5Very high98.2Very high25 Ų2525.9 Ų25.910%0.09513%0.133CC..Hα-helixtrans-71.1-38.6177.3-160.6-112.2000111.7T450 V452 N505 I506 R507 G508 G509 Y512 G513 K514T450-W516 HydrophobicContact CG2-CH2 3.79Å; T450-W516 HydrophobicContact CG2-CZ3 3.7Å; V452-W516 HydrophobicContact CG1-CZ2 4.2Å; V452-W516 HydrophobicContact CG2-CH2 4.1Å; V452-W516 HydrophobicContact CG2-CZ2 4.33Å; N505-W516 WeakPolarHBondContact O-CZ2 3.36Å; N505-W516 PolarHBondContact O-NE1 3.43Å; I506-W516 PolarHBondContact O-NE1 2.88Å; R507-W516 HydrophobicContact CG-CD2 3.73Å; R507-W516 HydrophobicContact CG-CE3 3.84Å; R507-W516 HydrophobicContact CG-CG 4.46Å; R507-W516 HydrophobicContact CG-CH2 3.74Å; R507-W516 HydrophobicContact CG-CZ2 3.61Å; R507-W516 HydrophobicContact CG-CZ3 3.85Å; G508-W516 PolarHBondContact N-O 3.04Å; G509-W516 CarbonylContact O-C 3.44Å; Y512-W516 AromaticContact CD2-CD2 3.72Å; Y512-W516 HydrophobicContact CD2-CD2 3.72Å; Y512-W516 AromaticContact CD2-CE2 3.94Å; Y512-W516 AromaticContact CD2-CE3 3.85Å; Y512-W516 HydrophobicContact CD2-CE3 3.85Å; Y512-W516 HydrophobicContact CD2-CG 4.15Å; Y512-W516 HydrophobicContact CD2-CH2 4.41Å; Y512-W516 HydrophobicContact CD2-CZ2 4.29Å; Y512-W516 HydrophobicContact CD2-CZ3 4.19Å; Y512-W516 HydrophobicContact CE2-CZ2 4.46Å; Y512-W516 HydrophobicContact CG-CE3 4.49Å; G513-W516 WeakPolarHBondContact O-CB 3.16Å; G513-W516 PolarHBondContact O-N 2.97Å; K514-W516 VanDerWaalsContact C-N 3.32Å; K514-W516 PolarHBondContact O-N 3.31Å
517H98.6Very high98.2Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-63.8-52.8173.9176.2-144.5000111.6N479 G508 G509 G513 K514 A519 G520 R521 D600N479-H517 HydrophobicContact CB-CB 4.25Å; N479-H517 PolarHBondContact N-CD2 3.15Å; N479-H517 VanDerWaalsContact N-CD2 3.33Å; G508-H517 PolarHBondContact O-CD2 3.02Å; G509-H517 VanDerWaalsContact O-CA 3.31Å; G509-H517 WeakPolarHBondContact O-CA 3.25Å; G509-H517 PolarHBondContact O-N 3.36Å; G509-H517 VanDerWaalsContact O-N 3.13Å; G513-H517 PolarHBondContact O-N 2.85Å; K514-H517 PolarHBondContact O-N 3.25Å; H517-A519 PolarHBondContact O-N 2.96Å; H517-G520 PolarHBondContact O-N 2.86Å; H517-G520 VanDerWaalsContact O-N 3.08Å; H517-R521 VanDerWaalsContact NE2-CD 3.28Å; H517-R521 WeakPolarHBondContact NE2-CD 3.24Å; H517-D600 IonicContact CD2-OD1 3.65Å; H517-D600 IonicContact CD2-OD2 3.59Å; H517-D600 IonicContact CE1-OD2 3.42Å; H517-D600 PolarHBondContact CE1-OD2 3.15Å; H517-D600 VanDerWaalsContact NE2-CG 3.33Å; H517-D600 IonicContact NE2-OD1 3.32Å; H517-D600 PolarHBondContact NE2-OD1 3.18Å; H517-D600 VanDerWaalsContact NE2-OD1 3.13Å; H517-D600 IonicContact NE2-OD2 2.76Å; H517-D600 PolarHBondContact NE2-OD2 2.65Å
518D98.1Very high98.2Very high49 Ų4927 Ų2726%0.26214%0.141SC..Hα-helixtrans-60.4-30.8-179.8-71.9-24.5000112.7K514 G520 R521 N524K514-D518 WeakPolarHBondContact CE-OD2 3.44Å; K514-D518 WeakPolarHBondContact CG-OD2 3.29Å; K514-D518 IonicContact NZ-OD1 2.67Å; K514-D518 PolarHBondContact NZ-OD1 3.26Å; K514-D518 IonicContact NZ-OD2 2.76Å; K514-D518 PolarHBondContact NZ-OD2 3.43Å; K514-D518 WeakPolarHBondContact O-CB 3.38Å; K514-D518 VanDerWaalsContact O-CG 3.3Å; K514-D518 PolarHBondContact O-N 2.76Å; D518-G520 PolarHBondContact O-N 3.39Å; D518-R521 IonicContact OD1-CZ 2.89Å; D518-R521 IonicContact OD1-NE 3.89Å; D518-R521 PolarHBondContact OD1-NE 3.33Å; D518-R521 IonicContact OD1-NH2 3.71Å; D518-R521 PolarHBondContact OD1-NH2 2.72Å; D518-N524 PolarHBondContact O-ND2 3.21Å; D518-N524 VanDerWaalsContact O-ND2 3.12Å
519A98.7Very high98.2Very high27 Ų2727.1 Ų27.122%0.22314%0.141CC..THydrogen-bonded Turntrans-74.5-6.4178.900000114.6R507 S515 H517 N524 N527R507-A519 HydrophobicContact CB-CB 4.45Å; R507-A519 HydrophobicContact CG-CB 4.24Å; S515-A519 VanDerWaalsContact O-CB 3.27Å; S515-A519 WeakPolarHBondContact O-CB 3.45Å; S515-A519 PolarHBondContact O-N 2.92Å; S515-A519 VanDerWaalsContact O-N 3.15Å; H517-A519 PolarHBondContact O-N 2.96Å; A519-N524 WeakPolarHBondContact O-CB 3.46Å; A519-N527 WeakPolarHBondContact O-CB 3.22Å; A519-N527 PolarHBondContact O-ND2 3.03Å
520G98.7Very high98.2Very high0 Ų028 Ų280%015%0.145CC..THydrogen-bonded Turntrans-133.925.3-179.600000114.8H517 D518 K525 S528H517-G520 PolarHBondContact O-N 2.86Å; H517-G520 VanDerWaalsContact O-N 3.08Å; D518-G520 PolarHBondContact O-N 3.39Å; G520-K525 WeakPolarHBondContact O-CD 3.36Å; G520-S528 PolarHBondContact O-OG 3.45Å; G520-S528 VanDerWaalsContact O-OG 3.12Å
521R97.9Very high98.2Very high18 Ų1828 Ų287%0.06815%0.145CC..SBendtrans-134.3170.8178.274.9-174.5-172125.9-7.6112.6E258 H517 D518 Q523 N524 K525 S599 D600E258-R521 IonicContact OE1-CZ 3.2Å; E258-R521 IonicContact OE1-NH1 2.72Å; E258-R521 IonicContact OE1-NH2 3.78Å; E258-R521 PolarHBondContact OE1-NH2 3.22Å; E258-R521 IonicContact OE2-CZ 3Å; E258-R521 IonicContact OE2-NH1 3.21Å; E258-R521 PolarHBondContact OE2-NH1 3.12Å; E258-R521 IonicContact OE2-NH2 2.68Å; E258-R521 PolarHBondContact OE2-NH2 3.38Å; H517-R521 VanDerWaalsContact NE2-CD 3.28Å; H517-R521 WeakPolarHBondContact NE2-CD 3.24Å; D518-R521 IonicContact OD1-CZ 2.89Å; D518-R521 IonicContact OD1-NE 3.89Å; D518-R521 PolarHBondContact OD1-NE 3.33Å; D518-R521 IonicContact OD1-NH2 3.71Å; D518-R521 PolarHBondContact OD1-NH2 2.72Å; R521-Q523 PolarHBondContact O-N 3.32Å; R521-N524 WeakPolarHBondContact O-CA 3.33Å; R521-N524 WeakPolarHBondContact O-CB 3.46Å; R521-N524 PolarHBondContact O-N 2.97Å; R521-K525 PolarHBondContact O-N 3.43Å; R521-S599 PolarHBondContact NH1-O 3.02Å; R521-D600 HydrophobicContact CB-CB 4.41Å
522L97.8Very high98.2Very high59 Ų5927.9 Ų27.931%0.30915%0.145SC..G310 helixtrans50.2-132.4-176.1-57.8177.2000110.3N524 K525 S599 D600 Y612L522-N524 PolarHBondContact O-N 2.72Å; L522-K525 WeakPolarHBondContact O-CB 3.41Å; L522-K525 PolarHBondContact O-N 3.19Å; L522-S599 WeakPolarHBondContact CD2-O 3.19Å; L522-D600 PolarHBondContact N-O 2.67Å; L522-Y612 VanDerWaalsContact C-CZ 3.43Å; L522-Y612 VanDerWaalsContact C-OH 3.28Å; L522-Y612 VanDerWaalsContact CA-OH 3.27Å; L522-Y612 WeakPolarHBondContact CA-OH 3.25Å; L522-Y612 WeakPolarHBondContact O-CE2 3.36Å; L522-Y612 PolarHBondContact O-OH 2.96Å
523Q96.9Very high98.3Very high68 Ų6826.5 Ų26.532%0.31814%0.14SC..G310 helixtrans-59.6-19.6177.5-64.2-77.9-15.300113.8R521 K608 Y612R521-Q523 PolarHBondContact O-N 3.32Å; Q523-K608 PolarHBondContact NE2-O 2.72Å; Q523-Y612 HydrophobicContact CG-CD1 4.31Å
524N98.3Very high98.3Very high77 Ų7726.9 Ų26.941%0.41214%0.144SC..G310 helixtrans-89.10.9176.4-60.8-32.1000113.1D518 A519 R521 L522 Q526 N527D518-N524 PolarHBondContact O-ND2 3.21Å; D518-N524 VanDerWaalsContact O-ND2 3.12Å; A519-N524 WeakPolarHBondContact O-CB 3.46Å; R521-N524 WeakPolarHBondContact O-CA 3.33Å; R521-N524 WeakPolarHBondContact O-CB 3.46Å; R521-N524 PolarHBondContact O-N 2.97Å; L522-N524 PolarHBondContact O-N 2.72Å; N524-Q526 PolarHBondContact O-N 3.23Å; N524-N527 WeakPolarHBondContact O-CB 3.31Å; N524-N527 PolarHBondContact O-N 2.78Å
525K98.6Very high98.5Very high1 Ų124.7 Ų24.70%0.00413%0.134CC..THydrogen-bonded Turntrans-57.1-27.5-176.3-174.358.4172-170.20114G476 G520 R521 L522 N527 S528 F529 N557 Y612 I616G476-K525 PolarHBondContact O-NZ 2.96Å; G520-K525 WeakPolarHBondContact O-CD 3.36Å; R521-K525 PolarHBondContact O-N 3.43Å; L522-K525 WeakPolarHBondContact O-CB 3.41Å; L522-K525 PolarHBondContact O-N 3.19Å; K525-N527 PolarHBondContact O-N 3.19Å; K525-S528 PolarHBondContact O-N 2.86Å; K525-F529 HydrophobicContact CG-CE2 4.27Å; K525-F529 HydrophobicContact CG-CZ 3.89Å; K525-N557 PolarHBondContact NZ-OD1 3.36Å; K525-Y612 HydrophobicContact CB-CE2 4.48Å; K525-I616 HydrophobicContact CB-CD1 4Å; K525-I616 HydrophobicContact CG-CD1 3.85Å
526Q98.7Very high98.6Very high54 Ų5421.8 Ų21.825%0.25211%0.113SC..Hα-helixtrans-58.2-30.7173.6-177.560.448.800112.5N524 S528 F529 D530N524-Q526 PolarHBondContact O-N 3.23Å; Q526-S528 VanDerWaalsContact C-N 3.29Å; Q526-S528 PolarHBondContact O-N 3.4Å; Q526-F529 WeakPolarHBondContact O-CB 3.27Å; Q526-F529 PolarHBondContact O-N 2.96Å; Q526-D530 PolarHBondContact NE2-OD1 2.89Å; Q526-D530 PolarHBondContact O-N 2.82Å
527N98.9Very high98.6Very high35 Ų3523.8 Ų23.819%0.18712%0.124CC..Hα-helixtrans-61.5-36.2179.2-67.9-12000112.2A519 N524 K525 F529 D530 D531A519-N527 WeakPolarHBondContact O-CB 3.22Å; A519-N527 PolarHBondContact O-ND2 3.03Å; N524-N527 WeakPolarHBondContact O-CB 3.31Å; N524-N527 PolarHBondContact O-N 2.78Å; K525-N527 PolarHBondContact O-N 3.19Å; N527-F529 VanDerWaalsContact C-N 3.28Å; N527-F529 PolarHBondContact O-N 2.98Å; N527-D530 PolarHBondContact O-N 3.09Å; N527-D531 WeakPolarHBondContact O-CB 3.49Å; N527-D531 PolarHBondContact O-N 2.96Å; N527-D531 VanDerWaalsContact O-OD1 3.13Å
528S98.9Very high98.6Very high1 Ų125.8 Ų25.81%0.00713%0.132CC..Hα-helixtrans-61.7-39174.8-54.50000111.6R507 G520 K525 Q526 F532R507-S528 WeakPolarHBondContact O-CB 3.49Å; R507-S528 PolarHBondContact O-OG 2.68Å; G520-S528 PolarHBondContact O-OG 3.45Å; G520-S528 VanDerWaalsContact O-OG 3.12Å; K525-S528 PolarHBondContact O-N 2.86Å; Q526-S528 VanDerWaalsContact C-N 3.29Å; Q526-S528 PolarHBondContact O-N 3.4Å; S528-F532 WeakPolarHBondContact O-CB 3.36Å; S528-F532 PolarHBondContact O-N 2.91Å; S528-F532 VanDerWaalsContact O-N 3.13Å
529F98.9Very high98.6Very high1 Ų123.4 Ų23.40%0.00412%0.119CC..Hα-helixtrans-70.8-42.7177.2-46.5-36.6000111.2K525 Q526 N527 F532 Q533 L560 L561 A564 I616K525-F529 HydrophobicContact CG-CE2 4.27Å; K525-F529 HydrophobicContact CG-CZ 3.89Å; Q526-F529 WeakPolarHBondContact O-CB 3.27Å; Q526-F529 PolarHBondContact O-N 2.96Å; N527-F529 VanDerWaalsContact C-N 3.28Å; N527-F529 PolarHBondContact O-N 2.98Å; F529-F532 PolarHBondContact O-N 3.19Å; F529-Q533 WeakPolarHBondContact O-CB 3.47Å; F529-Q533 WeakPolarHBondContact O-CG 3.45Å; F529-Q533 PolarHBondContact O-N 2.77Å; F529-L560 HydrophobicContact CE1-CG 4.47Å; F529-L560 HydrophobicContact CZ-CG 4.43Å; F529-L561 HydrophobicContact CD1-CD1 3.65Å; F529-L561 HydrophobicContact CE1-CD1 4.36Å; F529-A564 HydrophobicContact CD1-CB 4.08Å; F529-A564 HydrophobicContact CD2-CB 4.2Å; F529-A564 HydrophobicContact CE1-CB 3.89Å; F529-A564 HydrophobicContact CE2-CB 4.05Å; F529-A564 HydrophobicContact CG-CB 4.24Å; F529-A564 HydrophobicContact CZ-CB 3.87Å; F529-I616 HydrophobicContact CE2-CB 3.9Å; F529-I616 HydrophobicContact CE2-CD1 4.46Å; F529-I616 HydrophobicContact CE2-CG2 3.95Å
530D98.9Very high98.6Very high18 Ų1823.8 Ų23.810%0.09612%0.117CC..Hα-helixtrans-63-42.1177.6-72.3-0.9000111K447 Q526 N527 Q533 A534K447-D530 HydrophobicContact CB-CB 4.23Å; K447-D530 HydrophobicContact CD-CB 4.33Å; K447-D530 WeakPolarHBondContact CD-OD2 3.36Å; K447-D530 IonicContact NZ-OD2 3.28Å; K447-D530 PolarHBondContact NZ-OD2 3.5Å; Q526-D530 PolarHBondContact NE2-OD1 2.89Å; Q526-D530 PolarHBondContact O-N 2.82Å; N527-D530 PolarHBondContact O-N 3.09Å; D530-Q533 PolarHBondContact O-N 3.24Å; D530-A534 VanDerWaalsContact O-CB 3.31Å; D530-A534 WeakPolarHBondContact O-CB 3.37Å; D530-A534 PolarHBondContact O-N 2.84Å
531D99Very high98.6Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-59.7-47.3173.8-68.3-5.5000111Y444 S446 V452 I506 R507 N527 Q533 A534 A535Y444-D531 VanDerWaalsContact CE2-O 3.27Å; Y444-D531 WeakPolarHBondContact CE2-O 3.25Å; Y444-D531 PolarHBondContact OH-O 2.9Å; Y444-D531 VanDerWaalsContact OH-O 3.11Å; S446-D531 WeakPolarHBondContact CB-OD1 3.2Å; S446-D531 WeakPolarHBondContact OG-CA 3.42Å; S446-D531 PolarHBondContact OG-OD1 3.11Å; V452-D531 HydrophobicContact CG2-CB 4.3Å; I506-D531 HydrophobicContact CB-CB 3.69Å; I506-D531 HydrophobicContact CG2-CB 3.64Å; R507-D531 VanDerWaalsContact CB-OD2 3.26Å; R507-D531 WeakPolarHBondContact CB-OD2 3.34Å; R507-D531 VanDerWaalsContact CG-OD2 3.29Å; R507-D531 WeakPolarHBondContact CG-OD2 3.35Å; R507-D531 IonicContact CZ-OD1 3.46Å; R507-D531 IonicContact CZ-OD2 3.55Å; R507-D531 PolarHBondContact N-OD2 3.27Å; R507-D531 IonicContact NE-OD1 3.33Å; R507-D531 PolarHBondContact NE-OD1 2.87Å; R507-D531 IonicContact NE-OD2 3.76Å; R507-D531 PolarHBondContact NE-OD2 2.92Å; R507-D531 IonicContact NH2-OD1 3.31Å; R507-D531 PolarHBondContact NH2-OD1 3.11Å; R507-D531 IonicContact NH2-OD2 3.65Å; N527-D531 WeakPolarHBondContact O-CB 3.49Å; N527-D531 PolarHBondContact O-N 2.96Å; N527-D531 VanDerWaalsContact O-OD1 3.13Å; D531-Q533 PolarHBondContact O-N 2.94Å; D531-A534 PolarHBondContact O-N 2.95Å; D531-A535 PolarHBondContact O-N 2.88Å
532F99Very high98.6Very high0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-69-35.5-178-164.1-119.6000112.9L472 A504 I506 S528 F529 A535 A536 I552 L561L472-F532 HydrophobicContact CD1-CD2 4.43Å; L472-F532 HydrophobicContact CD1-CE2 3.85Å; L472-F532 HydrophobicContact CD1-CZ 4.45Å; L472-F532 HydrophobicContact CD2-CD2 4.33Å; L472-F532 HydrophobicContact CD2-CE1 4.42Å; L472-F532 HydrophobicContact CD2-CE2 4.01Å; L472-F532 HydrophobicContact CD2-CZ 4.07Å; L472-F532 HydrophobicContact CG-CD2 4.27Å; L472-F532 HydrophobicContact CG-CE1 4.43Å; L472-F532 HydrophobicContact CG-CE2 3.53Å; L472-F532 HydrophobicContact CG-CZ 3.65Å; A504-F532 HydrophobicContact CB-CD2 4.12Å; A504-F532 HydrophobicContact CB-CE2 4.4Å; I506-F532 HydrophobicContact CD1-CB 4.19Å; I506-F532 HydrophobicContact CD1-CD2 4.39Å; I506-F532 HydrophobicContact CG2-CB 4.2Å; I506-F532 HydrophobicContact CG2-CD2 4.26Å; S528-F532 WeakPolarHBondContact O-CB 3.36Å; S528-F532 PolarHBondContact O-N 2.91Å; S528-F532 VanDerWaalsContact O-N 3.13Å; F529-F532 PolarHBondContact O-N 3.19Å; F532-A535 WeakPolarHBondContact O-CB 3.42Å; F532-A535 PolarHBondContact O-N 2.86Å; F532-A536 PolarHBondContact O-N 2.8Å; F532-I552 HydrophobicContact CE1-CB 3.87Å; F532-I552 HydrophobicContact CE1-CD1 4.4Å; F532-I552 HydrophobicContact CE1-CG2 3.69Å; F532-I552 HydrophobicContact CZ-CB 4.2Å; F532-I552 HydrophobicContact CZ-CG2 4.06Å; F532-L561 HydrophobicContact CB-CD1 3.7Å; F532-L561 HydrophobicContact CB-CD2 4.46Å; F532-L561 HydrophobicContact CD1-CD1 3.79Å; F532-L561 HydrophobicContact CD1-CD2 3.97Å; F532-L561 HydrophobicContact CD1-CG 3.84Å; F532-L561 HydrophobicContact CD2-CD2 4.04Å; F532-L561 HydrophobicContact CE1-CD2 4.12Å; F532-L561 HydrophobicContact CE1-CG 4.16Å; F532-L561 HydrophobicContact CE2-CD2 4.2Å; F532-L561 HydrophobicContact CG-CD1 3.85Å; F532-L561 HydrophobicContact CG-CD2 3.92Å; F532-L561 HydrophobicContact CG-CG 4.14Å; F532-L561 HydrophobicContact CZ-CD2 4.22Å
533Q98.9Very high98.6Very high15 Ų1531.4 Ų31.47%0.0716%0.159CC..Hα-helixtrans-68.2-39.5172.7-69.3163.230.500111.1F529 D530 D531 A535 A536 E537 C565 R569 L572F529-Q533 WeakPolarHBondContact O-CB 3.47Å; F529-Q533 WeakPolarHBondContact O-CG 3.45Å; F529-Q533 PolarHBondContact O-N 2.77Å; D530-Q533 PolarHBondContact O-N 3.24Å; D531-Q533 PolarHBondContact O-N 2.94Å; Q533-A535 VanDerWaalsContact C-N 3.29Å; Q533-A535 PolarHBondContact O-N 2.84Å; Q533-A536 WeakPolarHBondContact O-CB 3.47Å; Q533-A536 PolarHBondContact O-N 3.49Å; Q533-E537 WeakPolarHBondContact O-CG 3.44Å; Q533-E537 PolarHBondContact O-N 2.91Å; Q533-C565 HydrophobicContact CG-CB 4.44Å; Q533-C565 PolarHBondContact NE2-SG 3.32Å; Q533-C565 VanDerWaalsContact NE2-SG 3.39Å; Q533-R569 HydrophobicContact CG-CB 4.36Å; Q533-R569 HydrophobicContact CG-CG 4.26Å; Q533-L572 HydrophobicContact CB-CD1 4.09Å; Q533-L572 HydrophobicContact CG-CD1 4.32Å
534A98.9Very high98.7Very high9 Ų929.1 Ų29.17%0.07415%0.147CC..Hα-helixtrans-64.3-33.2173.400000112.3Y444 D530 D531 E537 Y538Y444-A534 HydrophobicContact CD2-CB 4.08Å; Y444-A534 HydrophobicContact CE2-CB 3.89Å; D530-A534 VanDerWaalsContact O-CB 3.31Å; D530-A534 WeakPolarHBondContact O-CB 3.37Å; D530-A534 PolarHBondContact O-N 2.84Å; D531-A534 PolarHBondContact O-N 2.95Å; A534-E537 PolarHBondContact O-N 3.15Å; A534-Y538 WeakPolarHBondContact O-CB 3.5Å; A534-Y538 PolarHBondContact O-N 3.15Å
535A99Very high98.7Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-60.8-45.1171.600000111.4Y444 M454 L472 A504 D531 F532 Q533 Y538 L539Y444-A535 HydrophobicContact CE1-CB 4.06Å; Y444-A535 HydrophobicContact CE2-CB 3.86Å; Y444-A535 VanDerWaalsContact CE2-N 3.27Å; Y444-A535 WeakPolarHBondContact OH-CB 3.48Å; M454-A535 HydrophobicContact SD-CB 4.08Å; L472-A535 HydrophobicContact CD1-CB 4.08Å; L472-A535 HydrophobicContact CD2-CB 4.11Å; A504-A535 HydrophobicContact CB-CB 3.91Å; D531-A535 PolarHBondContact O-N 2.88Å; F532-A535 WeakPolarHBondContact O-CB 3.42Å; F532-A535 PolarHBondContact O-N 2.86Å; Q533-A535 VanDerWaalsContact C-N 3.29Å; Q533-A535 PolarHBondContact O-N 2.84Å; A535-Y538 PolarHBondContact O-N 3.13Å; A535-L539 VanDerWaalsContact O-CG 3.31Å; A535-L539 WeakPolarHBondContact O-CG 3.38Å; A535-L539 PolarHBondContact O-N 3.45Å; A535-L539 VanDerWaalsContact O-N 3.1Å
536A98.9Very high98.7Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-60.9-49.8174.900000111.1L472 F532 Q533 Y538 L539 L540 L550 L572 F573L472-A536 HydrophobicContact CD2-CB 3.87Å; F532-A536 PolarHBondContact O-N 2.8Å; Q533-A536 WeakPolarHBondContact O-CB 3.47Å; Q533-A536 PolarHBondContact O-N 3.49Å; A536-Y538 VanDerWaalsContact C-N 3.31Å; A536-Y538 PolarHBondContact O-N 3.19Å; A536-L539 WeakPolarHBondContact O-CB 3.31Å; A536-L539 PolarHBondContact O-N 3.13Å; A536-L539 VanDerWaalsContact O-N 3.13Å; A536-L540 VanDerWaalsContact O-CG 3.27Å; A536-L540 WeakPolarHBondContact O-CG 3.39Å; A536-L540 PolarHBondContact O-N 3.48Å; A536-L550 HydrophobicContact CB-CD2 3.61Å; A536-L572 HydrophobicContact CB-CD1 4.36Å; A536-F573 HydrophobicContact CB-CE1 3.75Å
537E98.9Very high98.6Very high67 Ų6727.8 Ų27.831%0.31314%0.142SC..Hα-helixtrans-58.7-40.5177.4-69.9175.616500112.3Q533 A534 L539 L540 N541 R569 L572Q533-E537 WeakPolarHBondContact O-CG 3.44Å; Q533-E537 PolarHBondContact O-N 2.91Å; A534-E537 PolarHBondContact O-N 3.15Å; E537-L539 PolarHBondContact O-N 3.45Å; E537-L540 PolarHBondContact O-N 3.09Å; E537-N541 VanDerWaalsContact O-CB 3.28Å; E537-N541 WeakPolarHBondContact O-CB 3.38Å; E537-N541 PolarHBondContact O-N 3.28Å; E537-N541 PolarHBondContact O-ND2 3.49Å; E537-R569 IonicContact OE1-CZ 3.23Å; E537-R569 IonicContact OE1-NH1 2.71Å; E537-R569 PolarHBondContact OE1-NH1 3.1Å; E537-R569 IonicContact OE1-NH2 3.63Å; E537-R569 PolarHBondContact OE1-NH2 3.38Å; E537-L572 HydrophobicContact CG-CD1 4.26Å; E537-L572 HydrophobicContact CG-CD2 3.97Å
538Y98.8Very high98.5Very high42 Ų4231 Ų3117%0.16516%0.156CC..Hα-helixtrans-58.4-47.9174.4178.1-86.3000111.5V442 Y444 M454 A534 A535 A536 L540 N541 H542 Y544V442-Y538 HydrophobicContact CB-CE1 4.41Å; V442-Y538 HydrophobicContact CG2-CE1 3.86Å; Y444-Y538 HydrophobicContact CG-CG 4.42Å; M454-Y538 HydrophobicContact CE-CD1 3.53Å; M454-Y538 HydrophobicContact CE-CE1 4.04Å; M454-Y538 HydrophobicContact CE-CG 4.32Å; A534-Y538 WeakPolarHBondContact O-CB 3.5Å; A534-Y538 PolarHBondContact O-N 3.15Å; A535-Y538 PolarHBondContact O-N 3.13Å; A536-Y538 VanDerWaalsContact C-N 3.31Å; A536-Y538 PolarHBondContact O-N 3.19Å; Y538-L540 VanDerWaalsContact C-N 3.33Å; Y538-L540 PolarHBondContact O-N 3.41Å; Y538-N541 PolarHBondContact O-N 3.33Å; Y538-H542 AromaticContact CD2-CE1 3.34Å; Y538-H542 WeakPolarHBondContact CD2-CE1 3.35Å; Y538-H542 AromaticContact CD2-ND1 3.43Å; Y538-H542 WeakPolarHBondContact CD2-ND1 3.27Å; Y538-H542 AromaticContact CE2-CE1 3.32Å; Y538-H542 WeakPolarHBondContact CE2-CE1 3.43Å; Y538-H542 AromaticContact CE2-ND1 3.53Å; Y538-H542 AromaticContact CE2-NE2 3.73Å; Y538-H542 AromaticContact CG-ND1 3.74Å; Y538-H542 AromaticContact CZ-ND1 3.92Å; Y538-H542 WeakPolarHBondContact O-CB 3.44Å; Y538-H542 PolarHBondContact O-N 3.49Å; Y538-H542 PolarHBondContact O-ND1 3.49Å; Y538-Y544 HydrophobicContact CE1-CD2 4.46Å; Y538-Y544 AromaticContact CE1-CE2 3.87Å; Y538-Y544 HydrophobicContact CE1-CE2 3.87Å
539L98.9Very high98.5Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-61.5-40.5179.1-68166.1000112.1M454 L456 L472 M500 A502 A535 A536 E537 Y544 T545 L550M454-L539 HydrophobicContact CE-CD2 4.03Å; M454-L539 HydrophobicContact CE-CG 4.1Å; M454-L539 HydrophobicContact SD-CD1 4.33Å; M454-L539 HydrophobicContact SD-CD2 4.4Å; M454-L539 HydrophobicContact SD-CG 4.37Å; L456-L539 HydrophobicContact CD2-CD2 3.73Å; L472-L539 HydrophobicContact CB-CD1 4.45Å; L472-L539 HydrophobicContact CD1-CD1 4.35Å; L472-L539 HydrophobicContact CD2-CD1 4.47Å; M500-L539 HydrophobicContact CE-CD2 3.99Å; A502-L539 HydrophobicContact CB-CD1 3.75Å; A502-L539 HydrophobicContact CB-CD2 4.19Å; A535-L539 VanDerWaalsContact O-CG 3.31Å; A535-L539 WeakPolarHBondContact O-CG 3.38Å; A535-L539 PolarHBondContact O-N 3.45Å; A535-L539 VanDerWaalsContact O-N 3.1Å; A536-L539 WeakPolarHBondContact O-CB 3.31Å; A536-L539 PolarHBondContact O-N 3.13Å; A536-L539 VanDerWaalsContact O-N 3.13Å; E537-L539 PolarHBondContact O-N 3.45Å; L539-Y544 HydrophobicContact CD2-CD2 4.13Å; L539-Y544 HydrophobicContact CD2-CG 4.15Å; L539-Y544 WeakPolarHBondContact O-CB 3.33Å; L539-Y544 PolarHBondContact O-N 2.96Å; L539-T545 HydrophobicContact CB-CG2 4.12Å; L539-T545 PolarHBondContact O-N 3.03Å; L539-L550 HydrophobicContact CD1-CD1 4.41Å
540L98.6Very high98.5Very high35 Ų3534.5 Ų34.518%0.18317%0.171CC..Hα-helixtrans-67.1-48.7177.1-60.8176.6000111.5A536 E537 Y538 H542 G543 T545 N547 L572A536-L540 VanDerWaalsContact O-CG 3.27Å; A536-L540 WeakPolarHBondContact O-CG 3.39Å; A536-L540 PolarHBondContact O-N 3.48Å; E537-L540 PolarHBondContact O-N 3.09Å; Y538-L540 VanDerWaalsContact C-N 3.33Å; Y538-L540 PolarHBondContact O-N 3.41Å; L540-H542 VanDerWaalsContact C-N 3.33Å; L540-H542 PolarHBondContact O-N 3Å; L540-G543 PolarHBondContact O-N 2.68Å; L540-T545 HydrophobicContact CD2-CG2 4.32Å; L540-N547 HydrophobicContact CD1-CB 4.42Å; L540-N547 HydrophobicContact CD2-CB 4.35Å; L540-L572 HydrophobicContact CD1-CD2 3.87Å
541N98.3Very high98.5Very high132 Ų13233.6 Ų33.671%0.70617%0.167SC*.Hα-helixtrans-70.6-28.2-174.4-69.1-24.1000113.1E537 Y538E537-N541 VanDerWaalsContact O-CB 3.28Å; E537-N541 WeakPolarHBondContact O-CB 3.38Å; E537-N541 PolarHBondContact O-N 3.28Å; E537-N541 PolarHBondContact O-ND2 3.49Å; Y538-N541 PolarHBondContact O-N 3.33Å
542H98.1Very high98.5Very high93 Ų9333.6 Ų33.643%0.43117%0.167SC..THydrogen-bonded Turntrans-97.116.6-178.9-65.181.9000113.7Q464 Y538 L540 Y544Q464-H542 PolarHBondContact NE2-O 3.43Å; Q464-H542 VanDerWaalsContact NE2-O 3.14Å; Y538-H542 AromaticContact CD2-CE1 3.34Å; Y538-H542 WeakPolarHBondContact CD2-CE1 3.35Å; Y538-H542 AromaticContact CD2-ND1 3.43Å; Y538-H542 WeakPolarHBondContact CD2-ND1 3.27Å; Y538-H542 AromaticContact CE2-CE1 3.32Å; Y538-H542 WeakPolarHBondContact CE2-CE1 3.43Å; Y538-H542 AromaticContact CE2-ND1 3.53Å; Y538-H542 AromaticContact CE2-NE2 3.73Å; Y538-H542 AromaticContact CG-ND1 3.74Å; Y538-H542 AromaticContact CZ-ND1 3.92Å; Y538-H542 WeakPolarHBondContact O-CB 3.44Å; Y538-H542 PolarHBondContact O-N 3.49Å; Y538-H542 PolarHBondContact O-ND1 3.49Å; L540-H542 VanDerWaalsContact C-N 3.33Å; L540-H542 PolarHBondContact O-N 3Å; H542-Y544 VanDerWaalsContact C-N 3.29Å; H542-Y544 HydrophobicContact CB-CD2 3.78Å; H542-Y544 HydrophobicContact CB-CE2 3.72Å; H542-Y544 PolarHBondContact O-N 2.89Å
543G97.8Very high98.5Very high11 Ų1134.6 Ų34.611%0.11317%0.171CC..THydrogen-bonded Turntrans77.58.617000000115.2Q464 N465 N466 L540Q464-G543 CarbonylContact C-O 3.55Å; Q464-G543 WeakPolarHBondContact CA-O 3.04Å; N465-G543 PolarHBondContact N-O 2.9Å; N465-G543 VanDerWaalsContact N-O 3.07Å; N466-G543 PolarHBondContact N-O 2.86Å; N466-G543 VanDerWaalsContact OD1-CA 3.24Å; N466-G543 WeakPolarHBondContact OD1-CA 3.5Å; L540-G543 PolarHBondContact O-N 2.68Å
544Y98.4Very high98.5Very high20 Ų2033.9 Ų33.98%0.07817%0.168CC..SBendtrans-73.2-44.5-177.3-72.8-77.2000111.6L456 F462 Q464 M500 Y538 L539 H542L456-Y544 HydrophobicContact CD1-CD1 4.26Å; L456-Y544 HydrophobicContact CD1-CE1 3.57Å; L456-Y544 HydrophobicContact CD1-CE2 4.04Å; L456-Y544 VanDerWaalsContact CD1-CZ 3.43Å; L456-Y544 WeakPolarHBondContact CD1-OH 3.36Å; F462-Y544 AromaticContact CE1-CD1 3.63Å; F462-Y544 HydrophobicContact CE1-CD1 3.63Å; F462-Y544 HydrophobicContact CE1-CE1 4.27Å; F462-Y544 HydrophobicContact CZ-CD1 4.01Å; F462-Y544 WeakPolarHBondContact CZ-O 3.44Å; Q464-Y544 HydrophobicContact CG-CD1 4.04Å; Q464-Y544 HydrophobicContact CG-CE1 3.97Å; Q464-Y544 PolarHBondContact NE2-OH 2.87Å; M500-Y544 HydrophobicContact CE-CD1 3.83Å; M500-Y544 HydrophobicContact CE-CG 4.16Å; M500-Y544 HydrophobicContact SD-CD1 4.08Å; M500-Y544 HydrophobicContact SD-CG 4.34Å; Y538-Y544 HydrophobicContact CE1-CD2 4.46Å; Y538-Y544 AromaticContact CE1-CE2 3.87Å; Y538-Y544 HydrophobicContact CE1-CE2 3.87Å; L539-Y544 HydrophobicContact CD2-CD2 4.13Å; L539-Y544 HydrophobicContact CD2-CG 4.15Å; L539-Y544 WeakPolarHBondContact O-CB 3.33Å; L539-Y544 PolarHBondContact O-N 2.96Å; H542-Y544 VanDerWaalsContact C-N 3.29Å; H542-Y544 HydrophobicContact CB-CD2 3.78Å; H542-Y544 HydrophobicContact CB-CE2 3.72Å; H542-Y544 PolarHBondContact O-N 2.89Å
545T98.6Very high98.5Very high0 Ų034.2 Ų34.20%017%0.172CC..  trans-151-177.2178.7-168.60000110.4N466 A468 C470 L539 L540 K549 L550N466-T545 PolarHBondContact OD1-O 3.47Å; A468-T545 VanDerWaalsContact O-CB 3.32Å; A468-T545 WeakPolarHBondContact O-CB 3.49Å; A468-T545 PolarHBondContact O-OG1 2.86Å; C470-T545 HydrophobicContact CB-CG2 3.52Å; L539-T545 HydrophobicContact CB-CG2 4.12Å; L539-T545 PolarHBondContact O-N 3.03Å; L540-T545 HydrophobicContact CD2-CG2 4.32Å; T545-K549 WeakPolarHBondContact OG1-CB 3.3Å; T545-L550 HydrophobicContact CG2-CB 4.23Å; T545-L550 HydrophobicContact CG2-CD1 4.23Å
546N98.2Very high98.5Very high43 Ų4335.2 Ų35.223%0.2318%0.179CC..  trans-130.1168.2170.669.268.5000110.8N466 Q548 K549 L550N466-N546 HydrophobicContact CB-CB 4.35Å; N466-N546 PolarHBondContact O-ND2 3.28Å; N546-Q548 PolarHBondContact O-N 2.91Å; N546-Q548 VanDerWaalsContact O-N 3.13Å; N546-Q548 WeakPolarHBondContact OD1-CA 3.45Å; N546-Q548 VanDerWaalsContact OD1-CB 3.29Å; N546-Q548 WeakPolarHBondContact OD1-CB 3.43Å; N546-Q548 PolarHBondContact OD1-N 3.22Å; N546-K549 CarbonylContact O-C 3.57Å; N546-K549 WeakPolarHBondContact O-CA 3.38Å; N546-K549 PolarHBondContact O-N 3.4Å; N546-K549 PolarHBondContact OD1-N 3.17Å; N546-L550 PolarHBondContact O-N 2.75Å
547N97.1Very high98.5Very high62 Ų6235.2 Ų35.233%0.33218%0.179SC..THydrogen-bonded Turntrans-65.2-19.1-174.169.2-9.8000113.9L540 K549 D571 L572 F573 K574L540-N547 HydrophobicContact CD1-CB 4.42Å; L540-N547 HydrophobicContact CD2-CB 4.35Å; N547-K549 VanDerWaalsContact C-N 3.27Å; N547-D571 PolarHBondContact ND2-O 2.85Å; N547-L572 WeakPolarHBondContact CB-O 3.27Å; N547-F573 CarbonylContact O-C 3.53Å; N547-K574 WeakPolarHBondContact O-CB 3.29Å; N547-K574 PolarHBondContact O-N 2.71Å
548Q97.4Very high98.5Very high102 Ų10232 Ų3248%0.47716%0.164SC..THydrogen-bonded Turntrans-81.6-6.4172.8-56.9-55.3-54.900113.1N546 K574N546-Q548 PolarHBondContact O-N 2.91Å; N546-Q548 VanDerWaalsContact O-N 3.13Å; N546-Q548 WeakPolarHBondContact OD1-CA 3.45Å; N546-Q548 VanDerWaalsContact OD1-CB 3.29Å; N546-Q548 WeakPolarHBondContact OD1-CB 3.43Å; N546-Q548 PolarHBondContact OD1-N 3.22Å; Q548-K574 WeakPolarHBondContact O-CB 3.24Å; Q548-K574 WeakPolarHBondContact O-CG 3.4Å
549K98.3Very high98.5Very high75 Ų7530 Ų3033%0.32616%0.156SC..THydrogen-bonded Turntrans-126.3-2.3-175.8-69.8-171.3177.6178.40113.6S467 P469 C470 T545 N546 N547 M706S467-K549 VanDerWaalsContact O-CD 3.23Å; S467-K549 WeakPolarHBondContact O-CD 3.49Å; S467-K549 WeakPolarHBondContact O-CE 3.22Å; S467-K549 PolarHBondContact O-NZ 3.46Å; P469-K549 CarbonylContact C-O 3.48Å; P469-K549 WeakPolarHBondContact CA-O 3.46Å; C470-K549 PolarHBondContact N-O 3.43Å; T545-K549 WeakPolarHBondContact OG1-CB 3.3Å; N546-K549 CarbonylContact O-C 3.57Å; N546-K549 WeakPolarHBondContact O-CA 3.38Å; N546-K549 PolarHBondContact O-N 3.4Å; N546-K549 PolarHBondContact OD1-N 3.17Å; N547-K549 VanDerWaalsContact C-N 3.27Å; K549-M706 WeakPolarHBondContact O-CE 3.35Å
550L98.8Very high98.5Very high0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-91.4129.8175.4-177.360.2000110.6C470 L472 A536 L539 T545 N546 F573 K574C470-L550 HydrophobicContact CB-CD1 3.89Å; L472-L550 HydrophobicContact CB-CD1 3.89Å; A536-L550 HydrophobicContact CB-CD2 3.61Å; L539-L550 HydrophobicContact CD1-CD1 4.41Å; T545-L550 HydrophobicContact CG2-CB 4.23Å; T545-L550 HydrophobicContact CG2-CD1 4.23Å; N546-L550 PolarHBondContact O-N 2.75Å; L550-F573 HydrophobicContact CD2-CD1 3.94Å; L550-F573 HydrophobicContact CD2-CE1 4.28Å; L550-F573 HydrophobicContact CG-CD1 4.29Å; L550-K574 PolarHBondContact O-N 3.06Å
551Y98.9Very high98.5Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-123.7148.9162.680.3-86.4000111.7C470 Q471 L472 F493 Q553 A575 V577 L702 M706C470-Y551 WeakPolarHBondContact O-CD1 3.4Å; C470-Y551 PolarHBondContact O-N 3.11Å; Q471-Y551 HydrophobicContact CB-CD1 4.35Å; Q471-Y551 HydrophobicContact CB-CE1 3.53Å; Q471-Y551 HydrophobicContact CB-CE2 4.03Å; Q471-Y551 VanDerWaalsContact CB-OH 3.29Å; Q471-Y551 WeakPolarHBondContact CB-OH 3.1Å; Q471-Y551 HydrophobicContact CG-CD2 4.45Å; Q471-Y551 HydrophobicContact CG-CE1 4.08Å; Q471-Y551 HydrophobicContact CG-CE2 3.6Å; Q471-Y551 VanDerWaalsContact CG-OH 3.25Å; Q471-Y551 WeakPolarHBondContact CG-OH 3.16Å; Q471-Y551 PolarHBondContact NE2-OH 2.82Å; L472-Y551 PolarHBondContact N-O 3.23Å; F493-Y551 HydrophobicContact CE1-CE1 4.13Å; F493-Y551 AromaticContact CE2-CE1 3.91Å; F493-Y551 HydrophobicContact CE2-CE1 3.91Å; F493-Y551 HydrophobicContact CZ-CD1 4.48Å; F493-Y551 AromaticContact CZ-CE1 3.68Å; F493-Y551 HydrophobicContact CZ-CE1 3.68Å; Y551-Q553 HydrophobicContact CE2-CB 4.29Å; Y551-A575 WeakPolarHBondContact CA-O 3.49Å; Y551-A575 WeakPolarHBondContact CB-O 3.42Å; Y551-V577 HydrophobicContact CD2-CG2 4.48Å; Y551-L702 HydrophobicContact CD1-CD1 4.35Å; Y551-L702 HydrophobicContact CD1-CD2 4.15Å; Y551-L702 HydrophobicContact CD2-CD1 4.05Å; Y551-L702 HydrophobicContact CD2-CD2 3.77Å; Y551-L702 HydrophobicContact CE1-CD1 3.96Å; Y551-L702 HydrophobicContact CE2-CD1 3.62Å; Y551-L702 HydrophobicContact CE2-CD2 4.22Å; Y551-L702 HydrophobicContact CG-CD1 4.38Å; Y551-L702 HydrophobicContact CG-CD2 3.71Å; Y551-M706 HydrophobicContact CD1-CE 4.24Å; Y551-M706 HydrophobicContact CD1-SD 3.99Å; Y551-M706 HydrophobicContact CG-SD 4.23Å
552I98.9Very high98.5Very high0 Ų022.2 Ų22.20%012%0.115CC..EExtended strand (participates in β ladder)trans-107.5146.8177.854.3171.8000111.5L472 F532 V562 C565 F573 A575 A576 V577L472-I552 HydrophobicContact CB-CG2 4.15Å; L472-I552 HydrophobicContact CD2-CG2 4.12Å; L472-I552 HydrophobicContact CG-CG2 4.33Å; L472-I552 CarbonylContact O-C 3.45Å; L472-I552 VanDerWaalsContact O-CA 3.3Å; L472-I552 WeakPolarHBondContact O-CA 3.24Å; F532-I552 HydrophobicContact CE1-CB 3.87Å; F532-I552 HydrophobicContact CE1-CD1 4.4Å; F532-I552 HydrophobicContact CE1-CG2 3.69Å; F532-I552 HydrophobicContact CZ-CB 4.2Å; F532-I552 HydrophobicContact CZ-CG2 4.06Å; I552-V562 HydrophobicContact CD1-CB 4.38Å; I552-V562 HydrophobicContact CD1-CG1 3.96Å; I552-V562 HydrophobicContact CD1-CG2 4.39Å; I552-V562 HydrophobicContact CG1-CG1 4.11Å; I552-V562 HydrophobicContact CG1-CG2 4.42Å; I552-C565 HydrophobicContact CD1-CB 4.2Å; I552-F573 HydrophobicContact CD1-CD1 4.3Å; I552-F573 HydrophobicContact CD1-CD2 3.88Å; I552-F573 HydrophobicContact CD1-CE1 4.31Å; I552-F573 HydrophobicContact CD1-CE2 3.91Å; I552-F573 HydrophobicContact CD1-CG 4.09Å; I552-F573 HydrophobicContact CD1-CZ 4.13Å; I552-F573 HydrophobicContact CG1-CD1 4.36Å; I552-F573 HydrophobicContact CG1-CG 4.26Å; I552-F573 HydrophobicContact CG2-CD1 3.49Å; I552-F573 VanDerWaalsContact CG2-CD1 3.49Å; I552-F573 HydrophobicContact CG2-CE1 3.47Å; I552-F573 VanDerWaalsContact CG2-CE1 3.47Å; I552-F573 HydrophobicContact CG2-CG 4.23Å; I552-F573 HydrophobicContact CG2-CZ 4.22Å; I552-A575 PolarHBondContact N-O 3.05Å; I552-A575 VanDerWaalsContact N-O 3.16Å; I552-A576 HydrophobicContact CD1-CB 4.29Å; I552-A576 HydrophobicContact CG1-CB 3.76Å; I552-A576 CarbonylContact O-C 3.52Å; I552-A576 WeakPolarHBondContact O-CA 3.47Å; I552-V577 PolarHBondContact O-N 3.43Å
553Q98.9Very high98.6Very high21 Ų2117.8 Ų17.810%0.0989%0.094CC..EExtended strand (participates in β ladder)trans-142.7144.2178-176.1174.1-11.900112.5L472 Y473 G474 Y551 V577L472-Q553 PolarHBondContact O-N 2.76Å; Y473-Q553 WeakPolarHBondContact CA-O 3.42Å; Y473-Q553 HydrophobicContact CD2-CB 4.41Å; Y473-Q553 HydrophobicContact CD2-CG 4.38Å; Y473-Q553 WeakPolarHBondContact CD2-O 3.43Å; G474-Q553 PolarHBondContact N-O 3.03Å; Y551-Q553 HydrophobicContact CE2-CB 4.29Å; Q553-V577 VanDerWaalsContact CA-O 3.31Å; Q553-V577 WeakPolarHBondContact CA-O 3.32Å; Q553-V577 HydrophobicContact CB-CB 4.28Å; Q553-V577 HydrophobicContact CG-CB 4.03Å; Q553-V577 HydrophobicContact CG-CG1 4.16Å
554G98.9Very high98.6Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-168.3155176.100000111.7G558 V577 Q579G554-G558 VanDerWaalsContact C-C 3.41Å; G554-G558 WeakPolarHBondContact CA-O 3.37Å; G554-V577 PolarHBondContact N-O 2.61Å; G554-Q579 PolarHBondContact O-N 3.3Å
555G98.6Very high98.6Very high16 Ų1616.4 Ų16.417%0.1659%0.086CC..EExtended strand (participates in β ladder)trans-121.6145.2-178.100000112.7Y475 N557 G558 G559 Q579Y475-G555 WeakPolarHBondContact CE2-O 3.45Å; G555-N557 PolarHBondContact O-N 3.15Å; G555-G558 VanDerWaalsContact O-CA 3.3Å; G555-G558 WeakPolarHBondContact O-CA 2.76Å; G555-G558 PolarHBondContact O-N 2.83Å; G555-G559 VanDerWaalsContact C-N 3.35Å; G555-G559 PolarHBondContact O-N 2.78Å; G555-Q579 CarbonylContact C-O 3.16Å; G555-Q579 WeakPolarHBondContact CA-O 3.4Å
556S98.7Very high98.6Very high20 Ų2016.4 Ų16.414%0.149%0.086CC..THydrogen-bonded Turntrans62-117.6177.9-168.40000111.5G558 G559 L560 Q579 V580 H682S556-G558 PolarHBondContact O-N 2.91Å; S556-G559 VanDerWaalsContact O-CA 3.31Å; S556-G559 WeakPolarHBondContact O-CA 3.49Å; S556-G559 PolarHBondContact O-N 2.81Å; S556-L560 PolarHBondContact O-N 2.79Å; S556-L560 VanDerWaalsContact O-N 3.1Å; S556-Q579 PolarHBondContact N-O 2.8Å; S556-V580 VanDerWaalsContact CA-O 3.27Å; S556-V580 WeakPolarHBondContact CA-O 3.42Å; S556-H682 VanDerWaalsContact CB-NE2 3.32Å; S556-H682 WeakPolarHBondContact CB-NE2 3.4Å; S556-H682 PolarHBondContact OG-CE1 2.73Å; S556-H682 PolarHBondContact OG-NE2 2.99Å; S556-H682 VanDerWaalsContact OG-NE2 3.07Å
557N98.8Very high98.7Very high1 Ų115.5 Ų15.51%0.0058%0.081CC..Hα-helixtrans-59-32.3166.5168.366.8000113.1Y475 G476 G477 F478 K525 G555 G559 L560 L561 Y601Y475-N557 HydrophobicContact CD2-CB 4.45Å; Y475-N557 HydrophobicContact CE1-CB 4.03Å; Y475-N557 WeakPolarHBondContact CE1-ND2 3.48Å; Y475-N557 HydrophobicContact CE2-CB 3.84Å; Y475-N557 PolarHBondContact O-ND2 2.85Å; G476-N557 PolarHBondContact O-ND2 3.47Å; G477-N557 PolarHBondContact N-ND2 3.15Å; F478-N557 HydrophobicContact CD2-CB 3.99Å; F478-N557 HydrophobicContact CE2-CB 3.73Å; K525-N557 PolarHBondContact NZ-OD1 3.36Å; G555-N557 PolarHBondContact O-N 3.15Å; N557-G559 PolarHBondContact O-N 3.41Å; N557-L560 VanDerWaalsContact O-CB 3.3Å; N557-L560 WeakPolarHBondContact O-CB 3.3Å; N557-L560 PolarHBondContact O-N 2.93Å; N557-L561 PolarHBondContact O-N 2.88Å; N557-Y601 WeakPolarHBondContact CB-OH 3.45Å; N557-Y601 PolarHBondContact OD1-OH 3.44Å
558G98.9Very high98.7Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-65.6-26.2168.600000113G554 G555 S556 L561 V562G554-G558 VanDerWaalsContact C-C 3.41Å; G554-G558 WeakPolarHBondContact CA-O 3.37Å; G555-G558 VanDerWaalsContact O-CA 3.3Å; G555-G558 WeakPolarHBondContact O-CA 2.76Å; G555-G558 PolarHBondContact O-N 2.83Å; S556-G558 PolarHBondContact O-N 2.91Å; G558-L561 WeakPolarHBondContact O-CB 3.29Å; G558-L561 PolarHBondContact O-N 3.49Å; G558-V562 WeakPolarHBondContact O-CG2 3.37Å; G558-V562 PolarHBondContact O-N 3.16Å
559G98.9Very high98.8Very high0 Ų013.8 Ų13.80%07%0.068CC..Hα-helixtrans-71-41.7171.400000111.7G555 S556 N557 L561 V562 C563G555-G559 VanDerWaalsContact C-N 3.35Å; G555-G559 PolarHBondContact O-N 2.78Å; S556-G559 VanDerWaalsContact O-CA 3.31Å; S556-G559 WeakPolarHBondContact O-CA 3.49Å; S556-G559 PolarHBondContact O-N 2.81Å; N557-G559 PolarHBondContact O-N 3.41Å; G559-L561 VanDerWaalsContact C-N 3.33Å; G559-L561 PolarHBondContact O-N 3.25Å; G559-V562 PolarHBondContact O-N 2.9Å; G559-C563 PolarHBondContact O-N 3.47Å; G559-C563 PolarHBondContact O-SG 3.31Å
560L98.9Very high98.8Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-53.7-49.9168161.665.6000110.8F529 S556 N557 V562 C563 A564 V582 L585 Y601 P618F529-L560 HydrophobicContact CE1-CG 4.47Å; F529-L560 HydrophobicContact CZ-CG 4.43Å; S556-L560 PolarHBondContact O-N 2.79Å; S556-L560 VanDerWaalsContact O-N 3.1Å; N557-L560 VanDerWaalsContact O-CB 3.3Å; N557-L560 WeakPolarHBondContact O-CB 3.3Å; N557-L560 PolarHBondContact O-N 2.93Å; L560-V562 PolarHBondContact O-N 2.91Å; L560-C563 PolarHBondContact O-N 2.86Å; L560-A564 WeakPolarHBondContact O-CB 3.43Å; L560-A564 PolarHBondContact O-N 3.39Å; L560-V582 HydrophobicContact CB-CB 4.48Å; L560-V582 WeakPolarHBondContact CB-O 3.32Å; L560-V582 WeakPolarHBondContact CD1-O 3.41Å; L560-L585 HydrophobicContact CD1-CD1 3.97Å; L560-L585 HydrophobicContact CD1-CD2 4.3Å; L560-L585 HydrophobicContact CD1-CG 4.32Å; L560-L585 HydrophobicContact CD2-CD1 4.4Å; L560-L585 HydrophobicContact CD2-CD2 4.18Å; L560-Y601 HydrophobicContact CD2-CD1 4.29Å; L560-Y601 HydrophobicContact CD2-CE1 3.43Å; L560-Y601 VanDerWaalsContact CD2-CE1 3.43Å; L560-P618 VanDerWaalsContact CD1-CD 3.41Å; L560-P618 HydrophobicContact CD1-CG 3.47Å; L560-P618 VanDerWaalsContact CD1-CG 3.47Å
561L99Very high98.7Very high2 Ų213.5 Ų13.51%0.017%0.071CC..Hα-helixtrans-52.6-51.7176.3166.568.2000111.9I506 F529 F532 N557 G558 G559 C563 A564 C565I506-L561 HydrophobicContact CD1-CD1 4.04Å; I506-L561 HydrophobicContact CD1-CD2 3.57Å; I506-L561 HydrophobicContact CD1-CG 4.44Å; F529-L561 HydrophobicContact CD1-CD1 3.65Å; F529-L561 HydrophobicContact CE1-CD1 4.36Å; F532-L561 HydrophobicContact CB-CD1 3.7Å; F532-L561 HydrophobicContact CB-CD2 4.46Å; F532-L561 HydrophobicContact CD1-CD1 3.79Å; F532-L561 HydrophobicContact CD1-CD2 3.97Å; F532-L561 HydrophobicContact CD1-CG 3.84Å; F532-L561 HydrophobicContact CD2-CD2 4.04Å; F532-L561 HydrophobicContact CE1-CD2 4.12Å; F532-L561 HydrophobicContact CE1-CG 4.16Å; F532-L561 HydrophobicContact CE2-CD2 4.2Å; F532-L561 HydrophobicContact CG-CD1 3.85Å; F532-L561 HydrophobicContact CG-CD2 3.92Å; F532-L561 HydrophobicContact CG-CG 4.14Å; F532-L561 HydrophobicContact CZ-CD2 4.22Å; N557-L561 PolarHBondContact O-N 2.88Å; G558-L561 WeakPolarHBondContact O-CB 3.29Å; G558-L561 PolarHBondContact O-N 3.49Å; G559-L561 VanDerWaalsContact C-N 3.33Å; G559-L561 PolarHBondContact O-N 3.25Å; L561-C563 PolarHBondContact O-N 3.5Å; L561-A564 PolarHBondContact O-N 2.94Å; L561-C565 WeakPolarHBondContact O-CB 3.17Å; L561-C565 PolarHBondContact O-N 3.06Å; L561-C565 PolarHBondContact O-SG 2.8Å; L561-C565 VanDerWaalsContact O-SG 3.39Å
562V99Very high98.7Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-59-50.5178.8168.30000111I552 G558 G559 L560 A564 C565 C566 A576 A578I552-V562 HydrophobicContact CD1-CB 4.38Å; I552-V562 HydrophobicContact CD1-CG1 3.96Å; I552-V562 HydrophobicContact CD1-CG2 4.39Å; I552-V562 HydrophobicContact CG1-CG1 4.11Å; I552-V562 HydrophobicContact CG1-CG2 4.42Å; G558-V562 WeakPolarHBondContact O-CG2 3.37Å; G558-V562 PolarHBondContact O-N 3.16Å; G559-V562 PolarHBondContact O-N 2.9Å; L560-V562 PolarHBondContact O-N 2.91Å; V562-A564 PolarHBondContact O-N 2.74Å; V562-C565 PolarHBondContact O-N 3.16Å; V562-C566 PolarHBondContact O-N 2.83Å; V562-C566 PolarHBondContact O-SG 3.29Å; V562-A576 HydrophobicContact CG1-CB 3.85Å; V562-A578 HydrophobicContact CB-CB 4.19Å; V562-A578 HydrophobicContact CG1-CB 3.9Å
563C98.9Very high98.7Very high0 Ų014.3 Ų14.30%08%0.075CC..Hα-helixtrans-64.2-39.5-177.5-62.70000112.4G559 L560 L561 N567 P618 F654G559-C563 PolarHBondContact O-N 3.47Å; G559-C563 PolarHBondContact O-SG 3.31Å; L560-C563 PolarHBondContact O-N 2.86Å; L561-C563 PolarHBondContact O-N 3.5Å; C563-N567 PolarHBondContact O-N 3.19Å; C563-P618 HydrophobicContact CB-CB 3.7Å; C563-P618 HydrophobicContact CB-CG 3.83Å; C563-F654 HydrophobicContact CB-CD1 4.45Å; C563-F654 HydrophobicContact CB-CE1 3.61Å; C563-F654 HydrophobicContact CB-CZ 3.79Å; C563-F654 WeakPolarHBondContact SG-CE1 3.21Å
564A98.9Very high98.7Very high2 Ų215.2 Ų15.22%0.0178%0.078CC..Hα-helixtrans-65.4-45.6175.400000111.7F529 L560 L561 V562 C566 N567 Q568F529-A564 HydrophobicContact CD1-CB 4.08Å; F529-A564 HydrophobicContact CD2-CB 4.2Å; F529-A564 HydrophobicContact CE1-CB 3.89Å; F529-A564 HydrophobicContact CE2-CB 4.05Å; F529-A564 HydrophobicContact CG-CB 4.24Å; F529-A564 HydrophobicContact CZ-CB 3.87Å; L560-A564 WeakPolarHBondContact O-CB 3.43Å; L560-A564 PolarHBondContact O-N 3.39Å; L561-A564 PolarHBondContact O-N 2.94Å; V562-A564 PolarHBondContact O-N 2.74Å; A564-C566 PolarHBondContact O-N 2.9Å; A564-N567 WeakPolarHBondContact O-CB 3.45Å; A564-N567 PolarHBondContact O-N 2.77Å; A564-N567 VanDerWaalsContact O-N 3.13Å; A564-Q568 VanDerWaalsContact O-CG 3.32Å; A564-Q568 WeakPolarHBondContact O-CG 3.28Å; A564-Q568 PolarHBondContact O-N 2.91Å
565C98.9Very high98.7Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-64.5-37.8177.7-72.90000112.6Q533 I552 L561 V562 N567 Q568 R569 F573Q533-C565 HydrophobicContact CG-CB 4.44Å; Q533-C565 PolarHBondContact NE2-SG 3.32Å; Q533-C565 VanDerWaalsContact NE2-SG 3.39Å; I552-C565 HydrophobicContact CD1-CB 4.2Å; L561-C565 WeakPolarHBondContact O-CB 3.17Å; L561-C565 PolarHBondContact O-N 3.06Å; L561-C565 PolarHBondContact O-SG 2.8Å; L561-C565 VanDerWaalsContact O-SG 3.39Å; V562-C565 PolarHBondContact O-N 3.16Å; C565-N567 VanDerWaalsContact C-N 3.29Å; C565-N567 PolarHBondContact O-N 3.37Å; C565-Q568 PolarHBondContact O-N 3.09Å; C565-R569 CarbonylContact O-C 3.57Å; C565-R569 PolarHBondContact O-N 3.23Å; C565-F573 HydrophobicContact CB-CE2 4Å; C565-F573 HydrophobicContact CB-CZ 4.2Å
566C98.8Very high98.7Very high1 Ų114.4 Ų14.41%0.0077%0.07CC..Hα-helixtrans-59.9-37.9171.7-71.50000112.5V562 A564 P570 A576 Y632 P633V562-C566 PolarHBondContact O-N 2.83Å; V562-C566 PolarHBondContact O-SG 3.29Å; A564-C566 PolarHBondContact O-N 2.9Å; C566-P570 WeakPolarHBondContact O-CB 3.49Å; C566-P570 WeakPolarHBondContact O-CD 3.36Å; C566-A576 WeakPolarHBondContact SG-CB 3.36Å; C566-Y632 HydrophobicContact CB-CD1 4.41Å; C566-Y632 HydrophobicContact CB-CE1 4.45Å; C566-P633 HydrophobicContact CB-CG 4.25Å; C566-P633 VanDerWaalsContact SG-CG 3.53Å
567N98.6Very high98.7Very high23 Ų2313.5 Ų13.512%0.1236%0.064CC..Hα-helixtrans-71-38.4176.3-74.4-15.7000112.7C563 A564 C565 P618 Y632C563-N567 PolarHBondContact O-N 3.19Å; A564-N567 WeakPolarHBondContact O-CB 3.45Å; A564-N567 PolarHBondContact O-N 2.77Å; A564-N567 VanDerWaalsContact O-N 3.13Å; C565-N567 VanDerWaalsContact C-N 3.29Å; C565-N567 PolarHBondContact O-N 3.37Å; N567-P618 WeakPolarHBondContact ND2-CA 3.47Å; N567-P618 PolarHBondContact ND2-O 2.84Å; N567-Y632 WeakPolarHBondContact CA-OH 3.32Å; N567-Y632 VanDerWaalsContact OD1-CE1 3.22Å; N567-Y632 WeakPolarHBondContact OD1-CE1 3.22Å; N567-Y632 PolarHBondContact OD1-OH 3.12Å
568Q98.4Very high98.7Very high61 Ų6113.4 Ų13.429%0.2856%0.063SC..Hα-helixtrans-84.4-43.2-172.1-69179.10.900113.2A564 C565A564-Q568 VanDerWaalsContact O-CG 3.32Å; A564-Q568 WeakPolarHBondContact O-CG 3.28Å; A564-Q568 PolarHBondContact O-N 2.91Å; C565-Q568 PolarHBondContact O-N 3.09Å
569R98.4Very high98.7Very high68 Ų6815.3 Ų15.326%0.2577%0.072SC..  trans-136.259-174.6-68.6-61.6-57.8-76.81112.2Q533 E537 C565 D571 L572 F573Q533-R569 HydrophobicContact CG-CB 4.36Å; Q533-R569 HydrophobicContact CG-CG 4.26Å; E537-R569 IonicContact OE1-CZ 3.23Å; E537-R569 IonicContact OE1-NH1 2.71Å; E537-R569 PolarHBondContact OE1-NH1 3.1Å; E537-R569 IonicContact OE1-NH2 3.63Å; E537-R569 PolarHBondContact OE1-NH2 3.38Å; C565-R569 CarbonylContact O-C 3.57Å; C565-R569 PolarHBondContact O-N 3.23Å; R569-D571 VanDerWaalsContact C-OD1 3.3Å; R569-D571 WeakPolarHBondContact CA-OD1 3.33Å; R569-D571 IonicContact CZ-OD1 3.58Å; R569-D571 IonicContact CZ-OD2 3.79Å; R569-D571 IonicContact NE-OD1 3.16Å; R569-D571 PolarHBondContact NE-OD1 2.97Å; R569-D571 IonicContact NE-OD2 3.12Å; R569-D571 PolarHBondContact NE-OD2 2.85Å; R569-D571 IonicContact NH2-OD1 2.66Å; R569-D571 IonicContact NH2-OD2 3.22Å; R569-D571 PolarHBondContact NH2-OD2 2.92Å; R569-D571 PolarHBondContact O-N 2.91Å; R569-D571 VanDerWaalsContact O-N 3.08Å; R569-L572 HydrophobicContact CB-CD1 3.71Å; R569-L572 HydrophobicContact CB-CG 4.01Å; R569-L572 HydrophobicContact CG-CD1 4.17Å; R569-L572 PolarHBondContact O-N 3.33Å; R569-L572 VanDerWaalsContact O-N 3.17Å; R569-F573 WeakPolarHBondContact O-CD2 3.33Å; R569-F573 VanDerWaalsContact O-CE2 3.25Å; R569-F573 WeakPolarHBondContact O-CE2 3.32Å
570P98.3Very high98.7Very high13 Ų1316 Ų168%0.0848%0.076CC..G310 helixtrans-60-19.4178.222.3-30.1000113.4C566 L572 P625 V630 Y632C566-P570 WeakPolarHBondContact O-CB 3.49Å; C566-P570 WeakPolarHBondContact O-CD 3.36Å; P570-L572 VanDerWaalsContact C-N 3.29Å; P570-L572 PolarHBondContact O-N 2.85Å; P570-P625 HydrophobicContact CG-CG 4.06Å; P570-V630 HydrophobicContact CB-CG1 4.14Å; P570-V630 HydrophobicContact CG-CG1 3.77Å; P570-Y632 HydrophobicContact CB-CD2 4.22Å; P570-Y632 HydrophobicContact CG-CD2 4.48Å
571D98.2Very high98.7Very high56 Ų5616 Ų1630%0.2998%0.076SC..G310 helixtrans-67.7-21.5177.561.3-65.9000114.8N547 R569 V630N547-D571 PolarHBondContact ND2-O 2.85Å; R569-D571 VanDerWaalsContact C-OD1 3.3Å; R569-D571 WeakPolarHBondContact CA-OD1 3.33Å; R569-D571 IonicContact CZ-OD1 3.58Å; R569-D571 IonicContact CZ-OD2 3.79Å; R569-D571 IonicContact NE-OD1 3.16Å; R569-D571 PolarHBondContact NE-OD1 2.97Å; R569-D571 IonicContact NE-OD2 3.12Å; R569-D571 PolarHBondContact NE-OD2 2.85Å; R569-D571 IonicContact NH2-OD1 2.66Å; R569-D571 IonicContact NH2-OD2 3.22Å; R569-D571 PolarHBondContact NH2-OD2 2.92Å; R569-D571 PolarHBondContact O-N 2.91Å; R569-D571 VanDerWaalsContact O-N 3.08Å; D571-V630 HydrophobicContact CB-CG1 4Å; D571-V630 HydrophobicContact CB-CG2 4.01Å
572L98.6Very high98.7Very high7 Ų715.9 Ų15.94%0.0378%0.076CC..G310 helixtrans-81.9-20.5-176-70-179.9000113.5Q533 A536 E537 L540 N547 R569 P570Q533-L572 HydrophobicContact CB-CD1 4.09Å; Q533-L572 HydrophobicContact CG-CD1 4.32Å; A536-L572 HydrophobicContact CB-CD1 4.36Å; E537-L572 HydrophobicContact CG-CD1 4.26Å; E537-L572 HydrophobicContact CG-CD2 3.97Å; L540-L572 HydrophobicContact CD1-CD2 3.87Å; N547-L572 WeakPolarHBondContact CB-O 3.27Å; R569-L572 HydrophobicContact CB-CD1 3.71Å; R569-L572 HydrophobicContact CB-CG 4.01Å; R569-L572 HydrophobicContact CG-CD1 4.17Å; R569-L572 PolarHBondContact O-N 3.33Å; R569-L572 VanDerWaalsContact O-N 3.17Å; P570-L572 VanDerWaalsContact C-N 3.29Å; P570-L572 PolarHBondContact O-N 2.85Å
573F98.6Very high98.7Very high9 Ų915.9 Ų15.94%0.0398%0.076CC..  trans-125.9141.4-165.1-40.3-63.7000111.8A536 N547 L550 I552 C565 R569 P633A536-F573 HydrophobicContact CB-CE1 3.75Å; N547-F573 CarbonylContact O-C 3.53Å; L550-F573 HydrophobicContact CD2-CD1 3.94Å; L550-F573 HydrophobicContact CD2-CE1 4.28Å; L550-F573 HydrophobicContact CG-CD1 4.29Å; I552-F573 HydrophobicContact CD1-CD1 4.3Å; I552-F573 HydrophobicContact CD1-CD2 3.88Å; I552-F573 HydrophobicContact CD1-CE1 4.31Å; I552-F573 HydrophobicContact CD1-CE2 3.91Å; I552-F573 HydrophobicContact CD1-CG 4.09Å; I552-F573 HydrophobicContact CD1-CZ 4.13Å; I552-F573 HydrophobicContact CG1-CD1 4.36Å; I552-F573 HydrophobicContact CG1-CG 4.26Å; I552-F573 HydrophobicContact CG2-CD1 3.49Å; I552-F573 VanDerWaalsContact CG2-CD1 3.49Å; I552-F573 HydrophobicContact CG2-CE1 3.47Å; I552-F573 VanDerWaalsContact CG2-CE1 3.47Å; I552-F573 HydrophobicContact CG2-CG 4.23Å; I552-F573 HydrophobicContact CG2-CZ 4.22Å; C565-F573 HydrophobicContact CB-CE2 4Å; C565-F573 HydrophobicContact CB-CZ 4.2Å; R569-F573 WeakPolarHBondContact O-CD2 3.33Å; R569-F573 VanDerWaalsContact O-CE2 3.25Å; R569-F573 WeakPolarHBondContact O-CE2 3.32Å; F573-P633 HydrophobicContact CB-CB 4.09Å; F573-P633 HydrophobicContact CB-CG 4.33Å
574K98.6Very high98.7Very high40 Ų4015.9 Ų15.917%0.1748%0.076CC..SBendtrans-85.4-39.7170-17857.4177.5167.10111.8N547 Q548 L550 P633 A634 N670 A705 M706N547-K574 WeakPolarHBondContact O-CB 3.29Å; N547-K574 PolarHBondContact O-N 2.71Å; Q548-K574 WeakPolarHBondContact O-CB 3.24Å; Q548-K574 WeakPolarHBondContact O-CG 3.4Å; L550-K574 PolarHBondContact O-N 3.06Å; K574-P633 WeakPolarHBondContact O-CA 3.33Å; K574-A634 PolarHBondContact O-N 2.84Å; K574-N670 PolarHBondContact NZ-OD1 2.91Å; K574-A705 WeakPolarHBondContact CE-O 3.26Å; K574-M706 HydrophobicContact CB-CE 4.32Å; K574-M706 HydrophobicContact CB-CG 4.45Å; K574-M706 HydrophobicContact CG-CB 4.38Å; K574-M706 HydrophobicContact CG-CG 3.85Å
575A98.9Very high98.7Very high0 Ų015.8 Ų15.80%08%0.075CC..EExtended strand (participates in β ladder)trans-141.5163-178.700000111.9Y551 I552 A634 F701 L702 M706Y551-A575 WeakPolarHBondContact CA-O 3.49Å; Y551-A575 WeakPolarHBondContact CB-O 3.42Å; I552-A575 PolarHBondContact N-O 3.05Å; I552-A575 VanDerWaalsContact N-O 3.16Å; A575-A634 CarbonylContact C-O 3.58Å; A575-A634 WeakPolarHBondContact CA-O 3.38Å; A575-A634 HydrophobicContact CB-CB 4.11Å; A575-F701 HydrophobicContact CB-CE1 4.47Å; A575-L702 HydrophobicContact CB-CD2 3.86Å; A575-M706 HydrophobicContact CB-CG 3.78Å; A575-M706 HydrophobicContact CB-SD 3.78Å
576A99Very high98.7Very high0 Ų015.9 Ų15.90%08%0.076CC..EExtended strand (participates in β ladder)trans-147.8141.4-179.900000110.2I552 V562 C566 P633 A634 L635 L636I552-A576 HydrophobicContact CD1-CB 4.29Å; I552-A576 HydrophobicContact CG1-CB 3.76Å; I552-A576 CarbonylContact O-C 3.52Å; I552-A576 WeakPolarHBondContact O-CA 3.47Å; V562-A576 HydrophobicContact CG1-CB 3.85Å; C566-A576 WeakPolarHBondContact SG-CB 3.36Å; A576-P633 HydrophobicContact CB-CB 4.5Å; A576-P633 HydrophobicContact CB-CG 4.17Å; A576-A634 PolarHBondContact N-O 3.05Å; A576-L635 HydrophobicContact CB-CD1 3.64Å; A576-L635 WeakPolarHBondContact O-CA 3.42Å; A576-L636 PolarHBondContact O-N 2.98Å
577V98.9Very high98.6Very high0 Ų017.2 Ų17.20%08%0.08CC..EExtended strand (participates in β ladder)trans-128.1107.6178.11800000108.6Y551 I552 Q553 G554 Q579 L636 L638 I698 L702Y551-V577 HydrophobicContact CD2-CG2 4.48Å; I552-V577 PolarHBondContact O-N 3.43Å; Q553-V577 VanDerWaalsContact CA-O 3.31Å; Q553-V577 WeakPolarHBondContact CA-O 3.32Å; Q553-V577 HydrophobicContact CB-CB 4.28Å; Q553-V577 HydrophobicContact CG-CB 4.03Å; Q553-V577 HydrophobicContact CG-CG1 4.16Å; G554-V577 PolarHBondContact N-O 2.61Å; V577-Q579 HydrophobicContact CG1-CG 4.41Å; V577-L636 WeakPolarHBondContact CA-O 3.41Å; V577-L638 HydrophobicContact CG1-CD1 3.51Å; V577-I698 HydrophobicContact CG1-CD1 4.07Å; V577-I698 HydrophobicContact CG1-CG1 4.01Å; V577-I698 HydrophobicContact CG1-CG2 4.38Å; V577-I698 HydrophobicContact CG2-CG2 4.23Å; V577-L702 HydrophobicContact CG2-CD2 4.12Å; V577-L702 HydrophobicContact CG2-CG 4.42Å
578A98.9Very high98.6Very high0 Ų016.1 Ų16.10%08%0.075CC..EExtended strand (participates in β ladder)trans-107.7111.8179.600000109.8V562 P581 L635 L636 I637 L638V562-A578 HydrophobicContact CB-CB 4.19Å; V562-A578 HydrophobicContact CG1-CB 3.9Å; A578-P581 HydrophobicContact CB-CB 4.34Å; A578-P581 HydrophobicContact CB-CG 4.31Å; A578-L635 HydrophobicContact CB-CD1 4.49Å; A578-L636 PolarHBondContact N-O 3.46Å; A578-I637 CarbonylContact O-C 3.02Å; A578-I637 WeakPolarHBondContact O-CA 3.31Å; A578-L638 PolarHBondContact O-N 3.29Å
579Q98.8Very high98.6Very high39 Ų3913.8 Ų13.818%0.1826%0.064CC..EExtended strand (participates in β ladder)trans-97132.2178.6-69167-91.400110.1G554 G555 S556 V577 P581 L638 E694G554-Q579 PolarHBondContact O-N 3.3Å; G555-Q579 CarbonylContact C-O 3.16Å; G555-Q579 WeakPolarHBondContact CA-O 3.4Å; S556-Q579 PolarHBondContact N-O 2.8Å; V577-Q579 HydrophobicContact CG1-CG 4.41Å; Q579-P581 VanDerWaalsContact C-N 3.3Å; Q579-P581 VanDerWaalsContact O-N 3.12Å; Q579-L638 CarbonylContact C-O 3.55Å; Q579-L638 HydrophobicContact CG-CB 4.13Å; Q579-L638 HydrophobicContact CG-CD1 3.88Å; Q579-L638 HydrophobicContact CG-CG 4.48Å; Q579-E694 PolarHBondContact NE2-OE1 2.85Å
580V98.7Very high98.6Very high14 Ų1413.8 Ų13.89%0.0857%0.066CC..SBendtrans4048.7178.3-64.20000114.1S556 L638 D643 H682S556-V580 VanDerWaalsContact CA-O 3.27Å; S556-V580 WeakPolarHBondContact CA-O 3.42Å; V580-L638 PolarHBondContact N-O 2.92Å; V580-D643 VanDerWaalsContact CB-OD2 3.31Å; V580-D643 WeakPolarHBondContact CB-OD2 3.16Å; V580-D643 WeakPolarHBondContact CG1-OD2 3.49Å; V580-H682 WeakPolarHBondContact CG2-CE1 3.07Å
581P98.8Very high98.6Very high0 Ų013.8 Ų13.80%06%0.064CC..  trans-74.5144.6-168.232.4-39.4000114A578 Q579 C583 I637 H650 S651A578-P581 HydrophobicContact CB-CB 4.34Å; A578-P581 HydrophobicContact CB-CG 4.31Å; Q579-P581 VanDerWaalsContact C-N 3.3Å; Q579-P581 VanDerWaalsContact O-N 3.12Å; P581-C583 PolarHBondContact O-N 3.03Å; P581-I637 HydrophobicContact CG-CG2 3.97Å; P581-H650 VanDerWaalsContact O-CB 3.24Å; P581-H650 WeakPolarHBondContact O-CB 3.38Å; P581-S651 WeakPolarHBondContact CD-OG 3.43Å
582V98.9Very high98.6Very high1 Ų111.2 Ų11.21%0.0065%0.05CC..  trans-84.799.7166-172.20000109.5L560 L585 F588 W597 Y601 V646L560-V582 HydrophobicContact CB-CB 4.48Å; L560-V582 WeakPolarHBondContact CB-O 3.32Å; L560-V582 WeakPolarHBondContact CD1-O 3.41Å; V582-L585 HydrophobicContact CG1-CD2 3.87Å; V582-F588 HydrophobicContact CG1-CB 4.06Å; V582-W597 HydrophobicContact CG1-CZ3 4.25Å; V582-W597 HydrophobicContact CG2-CE3 4.36Å; V582-W597 HydrophobicContact CG2-CH2 4.49Å; V582-W597 HydrophobicContact CG2-CZ3 3.9Å; V582-Y601 HydrophobicContact CG1-CE2 4.19Å; V582-V646 HydrophobicContact CG2-CG1 3.79Å; V582-V646 HydrophobicContact CG2-CG2 3.79Å
583C98.9Very high98.5Very high0 Ų011.3 Ų11.30%05%0.051CC..  trans-102.5-22.6-173.3-66.50000115.1P581 S617 P618 L619 H650 F654P581-C583 PolarHBondContact O-N 3.03Å; C583-S617 PolarHBondContact O-OG 2.86Å; C583-P618 HydrophobicContact CB-CB 4.26Å; C583-P618 WeakPolarHBondContact O-CD 3.5Å; C583-L619 VanDerWaalsContact O-CB 3.29Å; C583-L619 WeakPolarHBondContact O-CB 3.48Å; C583-L619 PolarHBondContact O-N 3.05Å; C583-H650 HydrophobicContact CB-CB 4.38Å; C583-H650 WeakPolarHBondContact CB-O 3.45Å; C583-F654 HydrophobicContact CB-CB 3.67Å; C583-F654 HydrophobicContact CB-CD1 4.36Å; C583-F654 HydrophobicContact CB-CD2 4.34Å; C583-F654 HydrophobicContact CB-CG 3.89Å; C583-F654 VanDerWaalsContact SG-CD1 3.59Å
584D98.7Very high98.5Very high0 Ų010.9 Ų10.90%05%0.049CC..  trans-10890.5-179.1-174.9-16.3000109.4I586 R587 F588 L619 H620 H650 K653D584-I586 PolarHBondContact O-N 2.94Å; D584-I586 PolarHBondContact OD1-N 2.95Å; D584-R587 PolarHBondContact OD1-N 3.38Å; D584-R587 VanDerWaalsContact OD1-N 3.11Å; D584-F588 WeakPolarHBondContact O-CB 3.42Å; D584-F588 PolarHBondContact O-N 2.94Å; D584-F588 VanDerWaalsContact O-N 3.12Å; D584-L619 HydrophobicContact CB-CD2 3.85Å; D584-H620 IonicContact OD1-CE1 3.31Å; D584-H620 PolarHBondContact OD1-CE1 2.84Å; D584-H650 PolarHBondContact N-ND1 2.78Å; D584-H650 PolarHBondContact O-CE1 2.81Å; D584-K653 IonicContact OD2-NZ 3.74Å; D584-K653 PolarHBondContact OD2-NZ 2.95Å
585L98.7Very high98.5Very high0 Ų09.9 Ų9.90%05%0.045CC..THydrogen-bonded Turntrans-79.41.9-179.7-59.2-178.6000113L560 V582 F588 Y601 P604 L613 I616 S617L560-L585 HydrophobicContact CD1-CD1 3.97Å; L560-L585 HydrophobicContact CD1-CD2 4.3Å; L560-L585 HydrophobicContact CD1-CG 4.32Å; L560-L585 HydrophobicContact CD2-CD1 4.4Å; L560-L585 HydrophobicContact CD2-CD2 4.18Å; V582-L585 HydrophobicContact CG1-CD2 3.87Å; L585-F588 WeakPolarHBondContact O-CD1 3.39Å; L585-Y601 HydrophobicContact CD2-CD2 4.13Å; L585-Y601 HydrophobicContact CD2-CE2 4.26Å; L585-Y601 HydrophobicContact CD2-CG 4.31Å; L585-P604 VanDerWaalsContact O-CG 3.25Å; L585-P604 WeakPolarHBondContact O-CG 3.4Å; L585-L613 HydrophobicContact CB-CB 4.48Å; L585-L613 HydrophobicContact CB-CD2 3.81Å; L585-L613 HydrophobicContact CD1-CD2 3.93Å; L585-L613 HydrophobicContact CG-CD2 4.44Å; L585-I616 HydrophobicContact CD1-CD1 3.77Å; L585-I616 HydrophobicContact CD1-CG1 3.83Å; L585-S617 PolarHBondContact N-OG 3.3Å; L585-S617 VanDerWaalsContact N-OG 3.16Å
586I98.2Very high98.4Very high2 Ų210 Ų101%0.015%0.046CC..THydrogen-bonded Turntrans-95.5-22.1178.4-55.4-54000111.2I26 D584 P604 F610 L613 M614 H620I26-I586 HydrophobicContact CD1-CG2 3.84Å; D584-I586 PolarHBondContact O-N 2.94Å; D584-I586 PolarHBondContact OD1-N 2.95Å; I586-P604 VanDerWaalsContact O-CB 3.27Å; I586-P604 WeakPolarHBondContact O-CB 3.48Å; I586-F610 HydrophobicContact CD1-CD2 4Å; I586-F610 HydrophobicContact CD1-CE2 3.94Å; I586-F610 HydrophobicContact CG2-CD2 4.38Å; I586-F610 HydrophobicContact CG2-CE2 3.92Å; I586-L613 HydrophobicContact CD1-CB 3.96Å; I586-M614 HydrophobicContact CD1-CG 3.85Å; I586-M614 HydrophobicContact CD1-SD 3.44Å; I586-M614 WeakPolarHBondContact CD1-SD 3.41Å; I586-M614 HydrophobicContact CG1-SD 3.59Å; I586-M614 VanDerWaalsContact CG1-SD 3.59Å; I586-H620 WeakPolarHBondContact CG1-CE1 3.5Å
587R98.4Very high98.4Very high28 Ų2811.1 Ų11.111%0.1065%0.05CC..THydrogen-bonded Turntrans-125.9-6.3-176.6-60.3178.160.469.43.8115.2E19 R31 E34 D584 H589 K590 F591E19-R587 IonicContact OE2-NH1 3.83Å; E19-R587 PolarHBondContact OE2-NH1 2.81Å; R31-R587 VanDerWaalsContact CZ-NE 3.31Å; R31-R587 VanDerWaalsContact NH1-CZ 3.3Å; R31-R587 VanDerWaalsContact NH1-NH1 3.19Å; E34-R587 IonicContact OE1-CZ 3.2Å; E34-R587 IonicContact OE1-NE 3.28Å; E34-R587 PolarHBondContact OE1-NE 3.34Å; E34-R587 IonicContact OE1-NH2 2.68Å; E34-R587 IonicContact OE2-CZ 3.84Å; E34-R587 IonicContact OE2-NE 3.81Å; E34-R587 PolarHBondContact OE2-NE 2.81Å; E34-R587 IonicContact OE2-NH2 3.36Å; E34-R587 PolarHBondContact OE2-NH2 3Å; D584-R587 PolarHBondContact OD1-N 3.38Å; D584-R587 VanDerWaalsContact OD1-N 3.11Å; R587-H589 PolarHBondContact O-N 2.77Å; R587-K590 WeakPolarHBondContact O-CB 3.27Å; R587-K590 PolarHBondContact O-N 2.8Å; R587-F591 HydrophobicContact CB-CE2 3.87Å; R587-F591 HydrophobicContact CB-CZ 4.3Å; R587-F591 WeakPolarHBondContact O-CD2 3.21Å; R587-F591 WeakPolarHBondContact O-CE2 3.41Å
588F98.6Very high98.4Very high1 Ų114 Ų140%0.0046%0.063CC..G310 helixtrans-47.5-38.1-176.776.4-87.7000113.7V582 D584 L585 K590 F591 G594 W597 K598 Y601 G602 P604V582-F588 HydrophobicContact CG1-CB 4.06Å; D584-F588 WeakPolarHBondContact O-CB 3.42Å; D584-F588 PolarHBondContact O-N 2.94Å; D584-F588 VanDerWaalsContact O-N 3.12Å; L585-F588 WeakPolarHBondContact O-CD1 3.39Å; F588-K590 PolarHBondContact O-N 3.35Å; F588-F591 PolarHBondContact O-N 2.83Å; F588-G594 WeakPolarHBondContact CD2-O 3.39Å; F588-G594 WeakPolarHBondContact CE2-O 3.34Å; F588-W597 HydrophobicContact CB-CE3 4.39Å; F588-W597 HydrophobicContact CB-CZ3 4.33Å; F588-W597 HydrophobicContact CD2-CB 4.21Å; F588-W597 HydrophobicContact CD2-CD2 4.4Å; F588-W597 AromaticContact CD2-CE3 3.61Å; F588-W597 HydrophobicContact CD2-CE3 3.61Å; F588-W597 HydrophobicContact CD2-CZ3 4.3Å; F588-W597 HydrophobicContact CE2-CB 3.82Å; F588-W597 HydrophobicContact CE2-CE3 4.37Å; F588-W597 HydrophobicContact CG-CE3 4.35Å; F588-K598 HydrophobicContact CE2-CG 4.32Å; F588-K598 HydrophobicContact CZ-CG 4.13Å; F588-Y601 HydrophobicContact CD1-CD2 4.49Å; F588-Y601 HydrophobicContact CD2-CD2 4.16Å; F588-Y601 HydrophobicContact CE1-CD2 4.26Å; F588-Y601 AromaticContact CE2-CD2 3.97Å; F588-Y601 HydrophobicContact CE2-CD2 3.97Å; F588-Y601 HydrophobicContact CG-CD2 4.43Å; F588-Y601 HydrophobicContact CZ-CD2 4.01Å; F588-Y601 HydrophobicContact CZ-CG 4.41Å; F588-G602 WeakPolarHBondContact CZ-O 2.88Å; F588-P604 HydrophobicContact CD1-CG 4.04Å; F588-P604 HydrophobicContact CE1-CG 3.51Å; F588-P604 HydrophobicContact CZ-CG 4.31Å
589H97.9Very high98.3Very high12 Ų1214.9 Ų14.96%0.0567%0.069CC..G310 helixtrans-73.4-4.4-175.469.8-66000114.6R587 K598 P604 D605R587-H589 PolarHBondContact O-N 2.77Å; H589-K598 HydrophobicContact CB-CG 4.29Å; H589-K598 VanDerWaalsContact CD2-CE 3.48Å; H589-K598 WeakPolarHBondContact CD2-CE 3.38Å; H589-P604 WeakPolarHBondContact ND1-CG 3.21Å; H589-D605 IonicContact CD2-OD2 3.17Å; H589-D605 IonicContact CE1-OD1 2.75Å; H589-D605 IonicContact CE1-OD2 2.68Å; H589-D605 VanDerWaalsContact NE2-CG 3.26Å; H589-D605 IonicContact NE2-OD1 2.84Å; H589-D605 PolarHBondContact NE2-OD1 2.82Å; H589-D605 IonicContact NE2-OD2 2.98Å; H589-D605 PolarHBondContact NE2-OD2 2.89Å
590K97.8Very high98.3Very high68 Ų6813 Ų1330%0.2966%0.06SC..G310 helixtrans-93.5-2.2-178.8-58.9-172.2-178.2-62.80113.5T206 R587 F588 D605T206-K590 PolarHBondContact OG1-O 2.94Å; R587-K590 WeakPolarHBondContact O-CB 3.27Å; R587-K590 PolarHBondContact O-N 2.8Å; F588-K590 PolarHBondContact O-N 3.35Å; K590-D605 IonicContact NZ-OD1 2.8Å; K590-D605 IonicContact NZ-OD2 2.71Å
591F98Very high98.3Very high13 Ų1312.4 Ų12.46%0.0576%0.056CC..SBendtrans-127.1138.5-173.1-46.1-68.1000111.3E34 T204 R587 F588 I593 G594 V647 L649E34-F591 HydrophobicContact CG-CZ 4.33Å; E34-F591 WeakPolarHBondContact OE2-CZ 3.49Å; T204-F591 VanDerWaalsContact O-CA 3.3Å; T204-F591 WeakPolarHBondContact O-CA 3.42Å; R587-F591 HydrophobicContact CB-CE2 3.87Å; R587-F591 HydrophobicContact CB-CZ 4.3Å; R587-F591 WeakPolarHBondContact O-CD2 3.21Å; R587-F591 WeakPolarHBondContact O-CE2 3.41Å; F588-F591 PolarHBondContact O-N 2.83Å; F591-I593 PolarHBondContact O-N 3.41Å; F591-G594 WeakPolarHBondContact O-CA 3.47Å; F591-G594 PolarHBondContact O-N 3.03Å; F591-V647 HydrophobicContact CB-CB 4.47Å; F591-V647 HydrophobicContact CB-CG1 4.02Å; F591-V647 HydrophobicContact CB-CG2 3.64Å; F591-V647 HydrophobicContact CD2-CG2 3.88Å; F591-V647 HydrophobicContact CG-CG2 3.87Å; F591-L649 HydrophobicContact CD1-CD2 4.09Å; F591-L649 HydrophobicContact CD2-CD1 4.24Å; F591-L649 HydrophobicContact CD2-CD2 4.17Å; F591-L649 HydrophobicContact CE1-CD2 3.99Å; F591-L649 HydrophobicContact CE2-CD1 3.82Å; F591-L649 HydrophobicContact CE2-CD2 4.08Å; F591-L649 HydrophobicContact CG-CD2 4.18Å; F591-L649 HydrophobicContact CZ-CD1 4.26Å; F591-L649 HydrophobicContact CZ-CD2 3.99Å
592T97.9Very high98.2Very high1 Ų112.4 Ų12.41%0.0066%0.057CC..THydrogen-bonded Turntrans41.9-117.7175.769.60000113.5T204 T205 T206 N207 D644 V647T204-T592 PolarHBondContact O-N 3.37Å; T205-T592 VanDerWaalsContact O-CA 3.26Å; T205-T592 WeakPolarHBondContact O-CA 3.47Å; T205-T592 PolarHBondContact O-N 3.16Å; T206-T592 WeakPolarHBondContact CA-O 3.4Å; T206-T592 WeakPolarHBondContact CG2-O 3.32Å; N207-T592 PolarHBondContact N-O 3.22Å; T592-D644 WeakPolarHBondContact CB-O 3.48Å; T592-D644 HydrophobicContact CG2-CB 4.32Å; T592-D644 WeakPolarHBondContact CG2-O 3.21Å; T592-D644 PolarHBondContact OG1-O 3.44Å; T592-V647 HydrophobicContact CG2-CG1 3.67Å
593I97.8Very high98.2Very high9 Ų914.5 Ų14.55%0.0467%0.068CC..THydrogen-bonded Turntrans-97.67.9178.9-157.859.5000112.7F175 F591 H595 A596 W597F175-I593 HydrophobicContact CD2-CD1 3.99Å; F175-I593 HydrophobicContact CD2-CG1 4.16Å; F175-I593 HydrophobicContact CE2-CB 3.73Å; F175-I593 HydrophobicContact CE2-CD1 3.71Å; F175-I593 HydrophobicContact CE2-CG1 3.57Å; F175-I593 HydrophobicContact CE2-CG2 4.27Å; F175-I593 HydrophobicContact CZ-CB 3.84Å; F175-I593 HydrophobicContact CZ-CG1 3.91Å; F175-I593 HydrophobicContact CZ-CG2 3.85Å; F591-I593 PolarHBondContact O-N 3.41Å; I593-H595 PolarHBondContact O-N 2.8Å; I593-A596 HydrophobicContact CG1-CB 4.24Å; I593-A596 WeakPolarHBondContact O-CB 3.5Å; I593-A596 PolarHBondContact O-N 2.86Å; I593-W597 HydrophobicContact CG2-CZ2 4.14Å
594G98.3Very high98.1Very high0 Ų014.5 Ų14.50%07%0.068CC..G310 helixtrans-58.1-25-176.600000113.7F588 F591 A596 W597F588-G594 WeakPolarHBondContact CD2-O 3.39Å; F588-G594 WeakPolarHBondContact CE2-O 3.34Å; F591-G594 WeakPolarHBondContact O-CA 3.47Å; F591-G594 PolarHBondContact O-N 3.03Å; G594-A596 PolarHBondContact O-N 2.81Å; G594-W597 PolarHBondContact O-N 3.36Å; G594-W597 VanDerWaalsContact O-N 3.15Å
595H97.8Very high98Very high19 Ų1918.1 Ų18.19%0.0889%0.087CC..G310 helixtrans-58.4-30.117568.378.9000113.3N207 T235 I593 W597 K598N207-H595 PolarHBondContact O-NE2 2.84Å; T235-H595 PolarHBondContact O-CE1 3.21Å; I593-H595 PolarHBondContact O-N 2.8Å; H595-W597 PolarHBondContact O-N 3.36Å; H595-K598 WeakPolarHBondContact O-CG 3.37Å; H595-K598 PolarHBondContact O-N 3.31Å
596A98.1Very high98Very high4 Ų421.8 Ų21.83%0.03311%0.107CC..G310 helixtrans-65.3-24.2-18000000112.9G256 C257 I593 G594 K598 S599G256-A596 CarbonylContact C-O 3.57Å; G256-A596 VanDerWaalsContact CA-O 3.24Å; G256-A596 WeakPolarHBondContact CA-O 3.39Å; C257-A596 PolarHBondContact N-O 2.94Å; I593-A596 HydrophobicContact CG1-CB 4.24Å; I593-A596 WeakPolarHBondContact O-CB 3.5Å; I593-A596 PolarHBondContact O-N 2.86Å; G594-A596 PolarHBondContact O-N 2.81Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 PolarHBondContact O-N 2.93Å; A596-S599 PolarHBondContact O-OG 2.82Å
597W98.6Very high97.9Very high22 Ų2228.3 Ų28.38%0.08314%0.135CC..G310 helixtrans-82.9-3.4-174.4-44.7-24.9000113.8F478 V582 F588 I593 G594 H595 S599 D600 Y601 R645 V646F478-W597 HydrophobicContact CE1-CB 3.8Å; F478-W597 AromaticContact CE1-CD1 4Å; F478-W597 HydrophobicContact CE1-CG 4.03Å; F478-W597 HydrophobicContact CZ-CB 3.86Å; F478-W597 HydrophobicContact CZ-CG 4.13Å; V582-W597 HydrophobicContact CG1-CZ3 4.25Å; V582-W597 HydrophobicContact CG2-CE3 4.36Å; V582-W597 HydrophobicContact CG2-CH2 4.49Å; V582-W597 HydrophobicContact CG2-CZ3 3.9Å; F588-W597 HydrophobicContact CB-CE3 4.39Å; F588-W597 HydrophobicContact CB-CZ3 4.33Å; F588-W597 HydrophobicContact CD2-CB 4.21Å; F588-W597 HydrophobicContact CD2-CD2 4.4Å; F588-W597 AromaticContact CD2-CE3 3.61Å; F588-W597 HydrophobicContact CD2-CE3 3.61Å; F588-W597 HydrophobicContact CD2-CZ3 4.3Å; F588-W597 HydrophobicContact CE2-CB 3.82Å; F588-W597 HydrophobicContact CE2-CE3 4.37Å; F588-W597 HydrophobicContact CG-CE3 4.35Å; I593-W597 HydrophobicContact CG2-CZ2 4.14Å; G594-W597 PolarHBondContact O-N 3.36Å; G594-W597 VanDerWaalsContact O-N 3.15Å; H595-W597 PolarHBondContact O-N 3.36Å; W597-S599 PolarHBondContact O-N 2.84Å; W597-S599 VanDerWaalsContact O-N 3.13Å; W597-D600 PolarHBondContact O-N 2.85Å; W597-Y601 HydrophobicContact CB-CD2 3.83Å; W597-Y601 HydrophobicContact CB-CE2 4.02Å; W597-Y601 HydrophobicContact CE3-CE2 4.07Å; W597-Y601 PolarHBondContact O-N 3.09Å; W597-R645 WeakPolarHBondContact CH2-O 3.25Å; W597-R645 HydrophobicContact CZ2-CG 4.44Å; W597-R645 WeakPolarHBondContact CZ2-O 3.34Å; W597-V646 HydrophobicContact CH2-CB 4.44Å; W597-V646 HydrophobicContact CH2-CG2 3.71Å; W597-V646 HydrophobicContact CZ2-CG2 4.21Å; W597-V646 HydrophobicContact CZ3-CG2 4.39Å
598K98.2Very high97.7Very high61 Ų6133.8 Ų33.827%0.26516%0.16SC..Hα-helixtrans-55-28.3172.7-71.3-179.2177.8-168.70112.4F588 H589 H595 A596 D600 G602 D603F588-K598 HydrophobicContact CE2-CG 4.32Å; F588-K598 HydrophobicContact CZ-CG 4.13Å; H589-K598 HydrophobicContact CB-CG 4.29Å; H589-K598 VanDerWaalsContact CD2-CE 3.48Å; H589-K598 WeakPolarHBondContact CD2-CE 3.38Å; H595-K598 WeakPolarHBondContact O-CG 3.37Å; H595-K598 PolarHBondContact O-N 3.31Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 PolarHBondContact O-N 2.93Å; K598-D600 PolarHBondContact O-N 3.19Å; K598-G602 WeakPolarHBondContact O-CA 3.18Å; K598-G602 PolarHBondContact O-N 2.95Å; K598-D603 HydrophobicContact CD-CB 3.99Å; K598-D603 VanDerWaalsContact CE-CG 3.47Å; K598-D603 WeakPolarHBondContact CE-OD1 3.38Å; K598-D603 HydrophobicContact CG-CB 4.41Å; K598-D603 IonicContact NZ-OD1 3.23Å; K598-D603 PolarHBondContact NZ-OD1 2.75Å; K598-D603 VanDerWaalsContact NZ-OD1 3.15Å; K598-D603 IonicContact NZ-OD2 2.69Å; K598-D603 PolarHBondContact NZ-OD2 2.9Å
599S97.2Very high97.7Very high18 Ų1835.2 Ų35.213%0.12617%0.168CC..Hα-helixtrans-56.7-32.5172.449.60000113.8C257 E258 R521 L522 A596 W597C257-S599 WeakPolarHBondContact CA-OG 3.21Å; C257-S599 WeakPolarHBondContact CB-OG 3.27Å; C257-S599 PolarHBondContact N-OG 3Å; E258-S599 PolarHBondContact N-OG 2.88Å; R521-S599 PolarHBondContact NH1-O 3.02Å; L522-S599 WeakPolarHBondContact CD2-O 3.19Å; A596-S599 PolarHBondContact O-OG 2.82Å; W597-S599 PolarHBondContact O-N 2.84Å; W597-S599 VanDerWaalsContact O-N 3.13Å
600D98.4Very high97.7Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-107.3-29.1-178.8-98.2-117.8000113.3F478 H517 R521 L522 W597 K598F478-D600 WeakPolarHBondContact CA-OD1 3.46Å; F478-D600 HydrophobicContact CD1-CB 4Å; F478-D600 HydrophobicContact CD2-CB 4.47Å; F478-D600 HydrophobicContact CE1-CB 3.63Å; F478-D600 HydrophobicContact CE2-CB 4.1Å; F478-D600 HydrophobicContact CG-CB 4.41Å; F478-D600 HydrophobicContact CZ-CB 3.67Å; F478-D600 PolarHBondContact N-OD1 2.85Å; H517-D600 IonicContact CD2-OD1 3.65Å; H517-D600 IonicContact CD2-OD2 3.59Å; H517-D600 IonicContact CE1-OD2 3.42Å; H517-D600 PolarHBondContact CE1-OD2 3.15Å; H517-D600 VanDerWaalsContact NE2-CG 3.33Å; H517-D600 IonicContact NE2-OD1 3.32Å; H517-D600 PolarHBondContact NE2-OD1 3.18Å; H517-D600 VanDerWaalsContact NE2-OD1 3.13Å; H517-D600 IonicContact NE2-OD2 2.76Å; H517-D600 PolarHBondContact NE2-OD2 2.65Å; R521-D600 HydrophobicContact CB-CB 4.41Å; L522-D600 PolarHBondContact N-O 2.67Å; W597-D600 PolarHBondContact O-N 2.85Å; K598-D600 PolarHBondContact O-N 3.19Å
601Y98.5Very high97.5Very high1 Ų134.4 Ų34.40%0.00417%0.171CC..Hα-helixtrans-105.9-7.6-177.5-61.4-29.7000114.1F478 N557 L560 V582 L585 F588 W597 Y612 L613F478-Y601 AromaticContact CE2-CE1 3.99Å; F478-Y601 HydrophobicContact CE2-CE1 3.99Å; F478-Y601 HydrophobicContact CE2-CE2 4.36Å; F478-Y601 AromaticContact CE2-CZ 3.71Å; F478-Y601 HydrophobicContact CZ-CD2 4.43Å; F478-Y601 HydrophobicContact CZ-CE1 4.07Å; F478-Y601 AromaticContact CZ-CE2 3.86Å; F478-Y601 HydrophobicContact CZ-CE2 3.86Å; F478-Y601 AromaticContact CZ-CZ 3.67Å; N557-Y601 WeakPolarHBondContact CB-OH 3.45Å; N557-Y601 PolarHBondContact OD1-OH 3.44Å; L560-Y601 HydrophobicContact CD2-CD1 4.29Å; L560-Y601 HydrophobicContact CD2-CE1 3.43Å; L560-Y601 VanDerWaalsContact CD2-CE1 3.43Å; V582-Y601 HydrophobicContact CG1-CE2 4.19Å; L585-Y601 HydrophobicContact CD2-CD2 4.13Å; L585-Y601 HydrophobicContact CD2-CE2 4.26Å; L585-Y601 HydrophobicContact CD2-CG 4.31Å; F588-Y601 HydrophobicContact CD1-CD2 4.49Å; F588-Y601 HydrophobicContact CD2-CD2 4.16Å; F588-Y601 HydrophobicContact CE1-CD2 4.26Å; F588-Y601 AromaticContact CE2-CD2 3.97Å; F588-Y601 HydrophobicContact CE2-CD2 3.97Å; F588-Y601 HydrophobicContact CG-CD2 4.43Å; F588-Y601 HydrophobicContact CZ-CD2 4.01Å; F588-Y601 HydrophobicContact CZ-CG 4.41Å; W597-Y601 HydrophobicContact CB-CD2 3.83Å; W597-Y601 HydrophobicContact CB-CE2 4.02Å; W597-Y601 HydrophobicContact CE3-CE2 4.07Å; W597-Y601 PolarHBondContact O-N 3.09Å; Y601-Y612 PolarHBondContact O-OH 3.09Å; Y601-L613 WeakPolarHBondContact O-CD1 3.36Å; Y601-L613 WeakPolarHBondContact O-CD2 3.3Å; Y601-L613 WeakPolarHBondContact O-CG 3.39Å
602G98.1Very high97.5Very high1 Ų134 Ų341%0.0117%0.169CC..  trans74.6171.1-172.700000112.3F588 K598 P604 D609F588-G602 WeakPolarHBondContact CZ-O 2.88Å; K598-G602 WeakPolarHBondContact O-CA 3.18Å; K598-G602 PolarHBondContact O-N 2.95Å; G602-P604 WeakPolarHBondContact O-CD 3.19Å; G602-D609 VanDerWaalsContact CA-OD2 3.31Å; G602-D609 WeakPolarHBondContact CA-OD2 3.41Å
603D97.7Very high97.5Very high44 Ų4434 Ų3424%0.23517%0.169CC..  trans-95.2113.7-178.1-169-14.7000110.9K598 D605 N606 D609K598-D603 HydrophobicContact CD-CB 3.99Å; K598-D603 VanDerWaalsContact CE-CG 3.47Å; K598-D603 WeakPolarHBondContact CE-OD1 3.38Å; K598-D603 HydrophobicContact CG-CB 4.41Å; K598-D603 IonicContact NZ-OD1 3.23Å; K598-D603 PolarHBondContact NZ-OD1 2.75Å; K598-D603 VanDerWaalsContact NZ-OD1 3.15Å; K598-D603 IonicContact NZ-OD2 2.69Å; K598-D603 PolarHBondContact NZ-OD2 2.9Å; D603-D605 PolarHBondContact O-N 2.95Å; D603-D605 WeakPolarHBondContact OD1-CB 3.43Å; D603-D605 PolarHBondContact OD1-N 3.18Å; D603-N606 HydrophobicContact CB-CB 4.1Å; D603-N606 WeakPolarHBondContact O-CB 3.25Å; D603-N606 PolarHBondContact O-N 2.53Å; D603-D609 PolarHBondContact N-OD2 2.77Å; D603-D609 VanDerWaalsContact O-CB 3.23Å; D603-D609 WeakPolarHBondContact O-CB 3.49Å
604P97.7Very high97.5Very high0 Ų035.7 Ų35.70%018%0.177CC..THydrogen-bonded Turntrans-60.8-20.4176.9-21.133.3000113.3K21 L585 I586 F588 H589 G602 N606 L613K21-P604 WeakPolarHBondContact CE-O 3.25Å; K21-P604 PolarHBondContact NZ-O 3.07Å; L585-P604 VanDerWaalsContact O-CG 3.25Å; L585-P604 WeakPolarHBondContact O-CG 3.4Å; I586-P604 VanDerWaalsContact O-CB 3.27Å; I586-P604 WeakPolarHBondContact O-CB 3.48Å; F588-P604 HydrophobicContact CD1-CG 4.04Å; F588-P604 HydrophobicContact CE1-CG 3.51Å; F588-P604 HydrophobicContact CZ-CG 4.31Å; H589-P604 WeakPolarHBondContact ND1-CG 3.21Å; G602-P604 WeakPolarHBondContact O-CD 3.19Å; P604-N606 VanDerWaalsContact C-N 3.27Å; P604-L613 HydrophobicContact CB-CD1 4.21Å; P604-L613 HydrophobicContact CG-CD1 3.83Å
605D97.2Very high97.4Very high76 Ų7643 Ų4341%0.40621%0.205SC..THydrogen-bonded Turntrans-83.20.9174.6-61.3-26.8000112.8K21 F22 H589 K590 D603K21-D605 WeakPolarHBondContact CE-OD1 3.37Å; K21-D605 IonicContact NZ-OD1 2.79Å; K21-D605 PolarHBondContact NZ-OD1 3.31Å; F22-D605 WeakPolarHBondContact CZ-O 3.32Å; H589-D605 IonicContact CD2-OD2 3.17Å; H589-D605 IonicContact CE1-OD1 2.75Å; H589-D605 IonicContact CE1-OD2 2.68Å; H589-D605 VanDerWaalsContact NE2-CG 3.26Å; H589-D605 IonicContact NE2-OD1 2.84Å; H589-D605 PolarHBondContact NE2-OD1 2.82Å; H589-D605 IonicContact NE2-OD2 2.98Å; H589-D605 PolarHBondContact NE2-OD2 2.89Å; K590-D605 IonicContact NZ-OD1 2.8Å; K590-D605 IonicContact NZ-OD2 2.71Å; D603-D605 PolarHBondContact O-N 2.95Å; D603-D605 WeakPolarHBondContact OD1-CB 3.43Å; D603-D605 PolarHBondContact OD1-N 3.18Å
606N97Very high97.4Very high78 Ų7842.4 Ų42.442%0.41720%0.203SC..SBendtrans-101.4131.8167.4-175.8-69.5000110.9D603 P604 K608 D609 F610D603-N606 HydrophobicContact CB-CB 4.1Å; D603-N606 WeakPolarHBondContact O-CB 3.25Å; D603-N606 PolarHBondContact O-N 2.53Å; P604-N606 VanDerWaalsContact C-N 3.27Å; N606-K608 VanDerWaalsContact C-N 3.33Å; N606-K608 PolarHBondContact O-N 2.86Å; N606-K608 WeakPolarHBondContact OD1-CB 3.46Å; N606-K608 PolarHBondContact OD1-N 3.07Å; N606-D609 HydrophobicContact CB-CB 4.3Å; N606-D609 PolarHBondContact O-N 3.41Å; N606-F610 VanDerWaalsContact O-CB 3.25Å; N606-F610 WeakPolarHBondContact O-CB 3.35Å; N606-F610 PolarHBondContact O-N 3.42Å
607K96.2Very high97.4Very high139 Ų13942.2 Ų42.260%0.60420%0.201SC*.Hα-helixtrans-58.4-39.7-176.4-175.2173.6-179.51760113.9F22 S611F22-K607 HydrophobicContact CB-CD 4.32Å; F22-K607 HydrophobicContact CB-CG 4.1Å; F22-K607 HydrophobicContact CD1-CB 3.82Å; F22-K607 HydrophobicContact CD1-CD 4.23Å; F22-K607 HydrophobicContact CD1-CG 4.05Å; F22-K607 HydrophobicContact CD2-CB 4.11Å; F22-K607 HydrophobicContact CD2-CG 4.25Å; F22-K607 HydrophobicContact CE1-CB 3.88Å; F22-K607 HydrophobicContact CE2-CB 4.16Å; F22-K607 HydrophobicContact CG-CB 3.95Å; F22-K607 HydrophobicContact CG-CD 4.34Å; F22-K607 HydrophobicContact CG-CG 3.86Å; F22-K607 HydrophobicContact CZ-CB 4.05Å; K607-S611 PolarHBondContact O-N 3.45Å
608K95Very high97.4Very high143 Ų14341.2 Ų41.262%0.62220%0.197SC*.Hα-helixtrans-67-45.1-178.4-176.9-177.1174.2-1720110.2Q523 N606 S611Q523-K608 PolarHBondContact NE2-O 2.72Å; N606-K608 VanDerWaalsContact C-N 3.33Å; N606-K608 PolarHBondContact O-N 2.86Å; N606-K608 WeakPolarHBondContact OD1-CB 3.46Å; N606-K608 PolarHBondContact OD1-N 3.07Å; K608-S611 PolarHBondContact O-OG 2.86Å
609D97.6Very high97.5Very high31 Ų3138.8 Ų38.817%0.16619%0.187CC..Hα-helixtrans-71.2-46.1-178.9-69.2-9.6000111.4G602 D603 N606 S611 Y612 L613G602-D609 VanDerWaalsContact CA-OD2 3.31Å; G602-D609 WeakPolarHBondContact CA-OD2 3.41Å; D603-D609 PolarHBondContact N-OD2 2.77Å; D603-D609 VanDerWaalsContact O-CB 3.23Å; D603-D609 WeakPolarHBondContact O-CB 3.49Å; N606-D609 HydrophobicContact CB-CB 4.3Å; N606-D609 PolarHBondContact O-N 3.41Å; D609-S611 PolarHBondContact O-N 2.81Å; D609-S611 VanDerWaalsContact O-N 3.16Å; D609-Y612 HydrophobicContact CB-CD1 4.39Å; D609-Y612 HydrophobicContact CB-CE1 3.98Å; D609-Y612 WeakPolarHBondContact O-CD1 3.35Å; D609-Y612 WeakPolarHBondContact O-CE1 3.28Å; D609-Y612 PolarHBondContact O-N 2.89Å; D609-Y612 VanDerWaalsContact O-N 3.14Å; D609-L613 HydrophobicContact CB-CD1 4.39Å; D609-L613 WeakPolarHBondContact O-CB 3.49Å; D609-L613 VanDerWaalsContact O-CG 3.28Å; D609-L613 WeakPolarHBondContact O-CG 3.4Å; D609-L613 PolarHBondContact O-N 2.81Å
610F98.1Very high97.5Very high6 Ų639.8 Ų39.83%0.02619%0.19CC..Hα-helixtrans-48-46.8172.9177.1-100.3000112.8K21 F22 V24 I26 I586 N606 Y612 L613 M614K21-F610 HydrophobicContact CB-CE2 4.16Å; K21-F610 HydrophobicContact CB-CZ 4.1Å; K21-F610 HydrophobicContact CD-CD2 3.81Å; K21-F610 HydrophobicContact CD-CE2 3.79Å; K21-F610 HydrophobicContact CG-CD2 4.36Å; K21-F610 HydrophobicContact CG-CE2 4.23Å; F22-F610 HydrophobicContact CD2-CB 3.88Å; F22-F610 AromaticContact CD2-CD1 3.67Å; F22-F610 HydrophobicContact CD2-CD1 3.67Å; F22-F610 HydrophobicContact CD2-CE1 4.36Å; F22-F610 AromaticContact CD2-CG 3.75Å; F22-F610 HydrophobicContact CD2-CG 3.75Å; F22-F610 HydrophobicContact CE2-CB 3.81Å; F22-F610 HydrophobicContact CE2-CD1 4.42Å; F22-F610 HydrophobicContact CE2-CG 4.05Å; V24-F610 HydrophobicContact CB-CE1 4.03Å; V24-F610 HydrophobicContact CB-CZ 4.24Å; V24-F610 HydrophobicContact CG1-CZ 4.48Å; V24-F610 HydrophobicContact CG2-CE1 4.03Å; I26-F610 HydrophobicContact CD1-CE2 3.49Å; I26-F610 VanDerWaalsContact CD1-CE2 3.49Å; I26-F610 HydrophobicContact CD1-CZ 3.55Å; I26-F610 HydrophobicContact CG1-CZ 4.23Å; I586-F610 HydrophobicContact CD1-CD2 4Å; I586-F610 HydrophobicContact CD1-CE2 3.94Å; I586-F610 HydrophobicContact CG2-CD2 4.38Å; I586-F610 HydrophobicContact CG2-CE2 3.92Å; N606-F610 VanDerWaalsContact O-CB 3.25Å; N606-F610 WeakPolarHBondContact O-CB 3.35Å; N606-F610 PolarHBondContact O-N 3.42Å; F610-Y612 VanDerWaalsContact C-N 3.32Å; F610-Y612 PolarHBondContact O-N 3.07Å; F610-L613 PolarHBondContact O-N 2.89Å; F610-M614 HydrophobicContact CD1-CG 4.34Å; F610-M614 HydrophobicContact CD2-CG 4.31Å; F610-M614 HydrophobicContact CE1-CG 3.86Å; F610-M614 HydrophobicContact CE2-CG 3.81Å; F610-M614 HydrophobicContact CE2-SD 3.97Å; F610-M614 HydrophobicContact CZ-CG 3.56Å; F610-M614 HydrophobicContact CZ-SD 3.92Å; F610-M614 WeakPolarHBondContact O-CG 3.4Å; F610-M614 PolarHBondContact O-N 2.84Å
611S95.2Very high97.5Very high57 Ų5741.3 Ų41.340%0.39920%0.198SC..Hα-helixtrans-62.6-34.5-175.573.70000114K607 K608 D609K607-S611 PolarHBondContact O-N 3.45Å; K608-S611 PolarHBondContact O-OG 2.86Å; D609-S611 PolarHBondContact O-N 2.81Å; D609-S611 VanDerWaalsContact O-N 3.16Å
612Y96.3Very high97.5Very high4 Ų441.4 Ų41.42%0.01620%0.198CC..Hα-helixtrans-87.3-35.9177.494.6-90.7000111.3L522 Q523 K525 Y601 D609 F610 M614 R615 I616L522-Y612 VanDerWaalsContact C-CZ 3.43Å; L522-Y612 VanDerWaalsContact C-OH 3.28Å; L522-Y612 VanDerWaalsContact CA-OH 3.27Å; L522-Y612 WeakPolarHBondContact CA-OH 3.25Å; L522-Y612 WeakPolarHBondContact O-CE2 3.36Å; L522-Y612 PolarHBondContact O-OH 2.96Å; Q523-Y612 HydrophobicContact CG-CD1 4.31Å; K525-Y612 HydrophobicContact CB-CE2 4.48Å; Y601-Y612 PolarHBondContact O-OH 3.09Å; D609-Y612 HydrophobicContact CB-CD1 4.39Å; D609-Y612 HydrophobicContact CB-CE1 3.98Å; D609-Y612 WeakPolarHBondContact O-CD1 3.35Å; D609-Y612 WeakPolarHBondContact O-CE1 3.28Å; D609-Y612 PolarHBondContact O-N 2.89Å; D609-Y612 VanDerWaalsContact O-N 3.14Å; F610-Y612 VanDerWaalsContact C-N 3.32Å; F610-Y612 PolarHBondContact O-N 3.07Å; Y612-M614 PolarHBondContact O-N 2.87Å; Y612-R615 VanDerWaalsContact CB-NH2 3.34Å; Y612-R615 WeakPolarHBondContact O-CA 3.41Å; Y612-R615 WeakPolarHBondContact O-CB 3.27Å; Y612-R615 PolarHBondContact O-N 2.86Å; Y612-I616 HydrophobicContact CD2-CD1 3.99Å; Y612-I616 HydrophobicContact CD2-CG1 4.22Å; Y612-I616 HydrophobicContact CE2-CD1 3.58Å; Y612-I616 HydrophobicContact CE2-CG1 4.25Å; Y612-I616 PolarHBondContact O-N 2.82Å
613L98.4Very high97.4Very high0 Ų047.7 Ų47.70%023%0.225CC..Hα-helixtrans-56.7-40.6175.4-75.7170.9000111.3L585 I586 Y601 P604 D609 F610 R615 I616 S617L585-L613 HydrophobicContact CB-CB 4.48Å; L585-L613 HydrophobicContact CB-CD2 3.81Å; L585-L613 HydrophobicContact CD1-CD2 3.93Å; L585-L613 HydrophobicContact CG-CD2 4.44Å; I586-L613 HydrophobicContact CD1-CB 3.96Å; Y601-L613 WeakPolarHBondContact O-CD1 3.36Å; Y601-L613 WeakPolarHBondContact O-CD2 3.3Å; Y601-L613 WeakPolarHBondContact O-CG 3.39Å; P604-L613 HydrophobicContact CB-CD1 4.21Å; P604-L613 HydrophobicContact CG-CD1 3.83Å; D609-L613 HydrophobicContact CB-CD1 4.39Å; D609-L613 WeakPolarHBondContact O-CB 3.49Å; D609-L613 VanDerWaalsContact O-CG 3.28Å; D609-L613 WeakPolarHBondContact O-CG 3.4Å; D609-L613 PolarHBondContact O-N 2.81Å; F610-L613 PolarHBondContact O-N 2.89Å; L613-R615 PolarHBondContact O-N 3.29Å; L613-I616 HydrophobicContact CD2-CD1 4.23Å; L613-I616 HydrophobicContact CD2-CG1 4.49Å; L613-I616 PolarHBondContact O-N 2.85Å; L613-I616 VanDerWaalsContact O-N 3.12Å; L613-S617 VanDerWaalsContact O-CB 3.28Å; L613-S617 WeakPolarHBondContact O-CB 3.2Å; L613-S617 PolarHBondContact O-N 3.2Å
614M97.4Very high97.4Very high45 Ų4549.2 Ų49.222%0.22223%0.233CC..Hα-helixtrans-59-28173.2-77.2-59.9-60.500113.6I586 F610 Y612 H620 N621I586-M614 HydrophobicContact CD1-CG 3.85Å; I586-M614 HydrophobicContact CD1-SD 3.44Å; I586-M614 WeakPolarHBondContact CD1-SD 3.41Å; I586-M614 HydrophobicContact CG1-SD 3.59Å; I586-M614 VanDerWaalsContact CG1-SD 3.59Å; F610-M614 HydrophobicContact CD1-CG 4.34Å; F610-M614 HydrophobicContact CD2-CG 4.31Å; F610-M614 HydrophobicContact CE1-CG 3.86Å; F610-M614 HydrophobicContact CE2-CG 3.81Å; F610-M614 HydrophobicContact CE2-SD 3.97Å; F610-M614 HydrophobicContact CZ-CG 3.56Å; F610-M614 HydrophobicContact CZ-SD 3.92Å; F610-M614 WeakPolarHBondContact O-CG 3.4Å; F610-M614 PolarHBondContact O-N 2.84Å; Y612-M614 PolarHBondContact O-N 2.87Å; M614-H620 HydrophobicContact CE-CB 4.05Å; M614-N621 PolarHBondContact O-ND2 2.87Å
615R96.8Very high97.3Very high153 Ų15350.1 Ų50.158%0.57724%0.239SC*.Hα-helixtrans-80-25.4177.6-60.2-170.9-64.4-118.43.7113.2Y612 L613 N621Y612-R615 VanDerWaalsContact CB-NH2 3.34Å; Y612-R615 WeakPolarHBondContact O-CA 3.41Å; Y612-R615 WeakPolarHBondContact O-CB 3.27Å; Y612-R615 PolarHBondContact O-N 2.86Å; L613-R615 PolarHBondContact O-N 3.29Å; R615-N621 PolarHBondContact O-ND2 2.82Å
616I97.8Very high97.1Very high8 Ų852.6 Ų52.64%0.04126%0.262CS..Hα-helixtrans-111.3-17.1-173.860.9158.2000114.2K525 F529 L585 Y612 L613 P618K525-I616 HydrophobicContact CB-CD1 4Å; K525-I616 HydrophobicContact CG-CD1 3.85Å; F529-I616 HydrophobicContact CE2-CB 3.9Å; F529-I616 HydrophobicContact CE2-CD1 4.46Å; F529-I616 HydrophobicContact CE2-CG2 3.95Å; L585-I616 HydrophobicContact CD1-CD1 3.77Å; L585-I616 HydrophobicContact CD1-CG1 3.83Å; Y612-I616 HydrophobicContact CD2-CD1 3.99Å; Y612-I616 HydrophobicContact CD2-CG1 4.22Å; Y612-I616 HydrophobicContact CE2-CD1 3.58Å; Y612-I616 HydrophobicContact CE2-CG1 4.25Å; Y612-I616 PolarHBondContact O-N 2.82Å; L613-I616 HydrophobicContact CD2-CD1 4.23Å; L613-I616 HydrophobicContact CD2-CG1 4.49Å; L613-I616 PolarHBondContact O-N 2.85Å; L613-I616 VanDerWaalsContact O-N 3.12Å; I616-P618 VanDerWaalsContact O-CD 3.29Å; I616-P618 WeakPolarHBondContact O-CD 3.28Å
617S98.7Very high97Very high0 Ų052.7 Ų52.70%026%0.263CS..  trans-60.8122.1-178.9-1790000110.7C583 L585 L613 L619 H620 N621C583-S617 PolarHBondContact O-OG 2.86Å; L585-S617 PolarHBondContact N-OG 3.3Å; L585-S617 VanDerWaalsContact N-OG 3.16Å; L613-S617 VanDerWaalsContact O-CB 3.28Å; L613-S617 WeakPolarHBondContact O-CB 3.2Å; L613-S617 PolarHBondContact O-N 3.2Å; S617-L619 PolarHBondContact O-N 3.42Å; S617-H620 WeakPolarHBondContact CB-ND1 3.45Å; S617-H620 PolarHBondContact O-N 2.63Å; S617-H620 PolarHBondContact OG-ND1 2.75Å; S617-N621 PolarHBondContact O-N 2.85Å; S617-N621 PolarHBondContact O-ND2 2.96Å
618P98.8Very high96.7Very high0 Ų049.8 Ų49.80%026%0.259CS..THydrogen-bonded Turntrans-55.9-47.3-179.8-29.635.1000113.5L560 C563 N567 C583 I616 H620 N621 V622 F654L560-P618 VanDerWaalsContact CD1-CD 3.41Å; L560-P618 HydrophobicContact CD1-CG 3.47Å; L560-P618 VanDerWaalsContact CD1-CG 3.47Å; C563-P618 HydrophobicContact CB-CB 3.7Å; C563-P618 HydrophobicContact CB-CG 3.83Å; N567-P618 WeakPolarHBondContact ND2-CA 3.47Å; N567-P618 PolarHBondContact ND2-O 2.84Å; C583-P618 HydrophobicContact CB-CB 4.26Å; C583-P618 WeakPolarHBondContact O-CD 3.5Å; I616-P618 VanDerWaalsContact O-CD 3.29Å; I616-P618 WeakPolarHBondContact O-CD 3.28Å; P618-H620 VanDerWaalsContact C-N 3.27Å; P618-H620 PolarHBondContact O-N 2.97Å; P618-N621 PolarHBondContact O-N 2.95Å; P618-V622 PolarHBondContact O-N 3.48Å; P618-F654 HydrophobicContact CB-CD2 4.17Å; P618-F654 HydrophobicContact CB-CE2 3.7Å; P618-F654 HydrophobicContact CB-CZ 3.96Å; P618-F654 WeakPolarHBondContact O-CE2 3.46Å
619L98.7Very high96.7Very high11 Ų1149.9 Ų49.96%0.05827%0.267CS..G310 helixtrans-53.6-43.2179.9-178.462.5000112.7C583 D584 S617 K653 T657C583-L619 VanDerWaalsContact O-CB 3.29Å; C583-L619 WeakPolarHBondContact O-CB 3.48Å; C583-L619 PolarHBondContact O-N 3.05Å; D584-L619 HydrophobicContact CB-CD2 3.85Å; S617-L619 PolarHBondContact O-N 3.42Å; L619-K653 HydrophobicContact CD1-CB 4.01Å; L619-K653 WeakPolarHBondContact CD1-O 3.41Å; L619-K653 HydrophobicContact CD2-CB 4.15Å; L619-T657 HydrophobicContact CD1-CG2 4.5Å; L619-T657 VanDerWaalsContact CD1-OG1 3.27Å; L619-T657 WeakPolarHBondContact CD1-OG1 3.29Å
620H98.4Very high96.6Very high39 Ų3949.6 Ų49.618%0.18127%0.266CS..G310 helixtrans-87.8-6.7-173-54.799.2000113.7D584 I586 M614 S617 P618D584-H620 IonicContact OD1-CE1 3.31Å; D584-H620 PolarHBondContact OD1-CE1 2.84Å; I586-H620 WeakPolarHBondContact CG1-CE1 3.5Å; M614-H620 HydrophobicContact CE-CB 4.05Å; S617-H620 WeakPolarHBondContact CB-ND1 3.45Å; S617-H620 PolarHBondContact O-N 2.63Å; S617-H620 PolarHBondContact OG-ND1 2.75Å; P618-H620 VanDerWaalsContact C-N 3.27Å; P618-H620 PolarHBondContact O-N 2.97Å
621N98.4Very high96.6Very high32 Ų3251.7 Ų51.717%0.17128%0.276CS..G310 helixtrans-115.712.2-176.3-73.2-79.8000114.5M614 R615 S617 P618 K623M614-N621 PolarHBondContact O-ND2 2.87Å; R615-N621 PolarHBondContact O-ND2 2.82Å; S617-N621 PolarHBondContact O-N 2.85Å; S617-N621 PolarHBondContact O-ND2 2.96Å; P618-N621 PolarHBondContact O-N 2.95Å; N621-K623 PolarHBondContact O-N 2.64Å
622V98.3Very high96.7Very high2 Ų249.1 Ų49.11%0.01226%0.258CS..  trans-65.4118.3169.7-178.10000110.1P618 F654 T657 L658 K661 L662P618-V622 PolarHBondContact O-N 3.48Å; V622-F654 HydrophobicContact CG2-CD2 4.05Å; V622-F654 HydrophobicContact CG2-CE2 3.47Å; V622-F654 VanDerWaalsContact CG2-CE2 3.47Å; V622-F654 HydrophobicContact CG2-CZ 4.37Å; V622-T657 HydrophobicContact CB-CG2 4.1Å; V622-T657 HydrophobicContact CG2-CG2 4.12Å; V622-L658 HydrophobicContact CB-CD2 4.46Å; V622-L658 HydrophobicContact CG1-CD2 3.76Å; V622-L658 HydrophobicContact CG1-CG 4.45Å; V622-L658 HydrophobicContact CG2-CD2 3.83Å; V622-L658 HydrophobicContact CG2-CG 4.13Å; V622-K661 HydrophobicContact CB-CD 4.1Å; V622-K661 HydrophobicContact CG1-CB 4.13Å; V622-K661 HydrophobicContact CG1-CD 3.86Å; V622-K661 WeakPolarHBondContact O-CD 3.43Å; V622-K661 PolarHBondContact O-NZ 3.47Å; V622-K661 VanDerWaalsContact O-NZ 3.17Å; V622-L662 HydrophobicContact CG1-CD1 4.3Å; V622-L662 HydrophobicContact CG1-CD2 4.49Å; V622-L662 HydrophobicContact CG1-CG 4.25Å
623K96.8Very high96.8Very high133 Ų13348.9 Ų48.958%0.57826%0.257SS*.  trans-139.7144.6179.7-64.5174.5-172.2169.60109.5N621 P625 Y632N621-K623 PolarHBondContact O-N 2.64Å; K623-P625 WeakPolarHBondContact O-CD 3.21Å; K623-Y632 PolarHBondContact N-OH 3.06Å; K623-Y632 VanDerWaalsContact O-CE2 3.22Å; K623-Y632 WeakPolarHBondContact O-CE2 3.34Å
624I96.9Very high96.8Very high76 Ų7648.9 Ų48.939%0.3926%0.257SS..  trans-65.4127.9167.2-60.9161.3000107.6S626 K661 L662I624-S626 PolarHBondContact O-N 3.39Å; I624-K661 WeakPolarHBondContact CD1-O 3.44Å; I624-K661 WeakPolarHBondContact CG1-O 3.39Å; I624-L662 HydrophobicContact CG1-CD2 3.96Å
625P95.8Very high96.9Very high19 Ų1946.9 Ų46.912%0.12325%0.247CC..  trans-55.2135177.3-26.535.4000112.2P570 K623 V630 Y632 R667P570-P625 HydrophobicContact CG-CG 4.06Å; K623-P625 WeakPolarHBondContact O-CD 3.21Å; P625-V630 HydrophobicContact CB-CB 4.02Å; P625-V630 HydrophobicContact CB-CG1 3.96Å; P625-V630 WeakPolarHBondContact CB-O 3.3Å; P625-V630 HydrophobicContact CG-CG1 4.18Å; P625-Y632 HydrophobicContact CG-CD2 4.04Å; P625-Y632 HydrophobicContact CG-CE2 4.17Å; P625-R667 PolarHBondContact O-NH1 2.82Å; P625-R667 PolarHBondContact O-NH2 3.16Å; P625-R667 VanDerWaalsContact O-NH2 3.15Å
626S92.9Very high97Very high129 Ų12939.6 Ų39.690%0.90222%0.219SC*.SBendtrans-69.5-33.4179.955.10000112.4I624I624-S626 PolarHBondContact O-N 3.39Å
627N94.3Very high97.1Very high80 Ų8039.2 Ų39.243%0.42822%0.217SC..SBendtrans-73.8126.2171.6-174.7-16.7000109.6D629 V630 R667N627-D629 PolarHBondContact O-N 3.41Å; N627-D629 PolarHBondContact OD1-N 2.81Å; N627-V630 HydrophobicContact CB-CB 4.22Å; N627-V630 HydrophobicContact CB-CG2 3.85Å; N627-V630 PolarHBondContact O-N 2.94Å; N627-R667 PolarHBondContact O-NH1 3.36Å; N627-R667 VanDerWaalsContact O-NH1 3.1Å
628S91.1Very high97.1Very high77 Ų7739.4 Ų39.454%0.53822%0.218SC..THydrogen-bonded Turntrans-61.9-28.2-179.951.40000113.7V630S628-V630 VanDerWaalsContact C-N 3.3Å
629D93.1Very high97.1Very high146 Ų14639.7 Ų39.778%0.78122%0.22SC*.THydrogen-bonded Turntrans-87.4-4.7-175.7-56.7-24.6000112.5N627N627-D629 PolarHBondContact O-N 3.41Å; N627-D629 PolarHBondContact OD1-N 2.81Å
630V96.4Very high97Very high25 Ų2539.2 Ų39.215%0.15222%0.218CC..  trans-107.2133.3-179.8-177.70000109.6P570 D571 P625 N627 S628P570-V630 HydrophobicContact CB-CG1 4.14Å; P570-V630 HydrophobicContact CG-CG1 3.77Å; D571-V630 HydrophobicContact CB-CG1 4Å; D571-V630 HydrophobicContact CB-CG2 4.01Å; P625-V630 HydrophobicContact CB-CB 4.02Å; P625-V630 HydrophobicContact CB-CG1 3.96Å; P625-V630 WeakPolarHBondContact CB-O 3.3Å; P625-V630 HydrophobicContact CG-CG1 4.18Å; N627-V630 HydrophobicContact CB-CB 4.22Å; N627-V630 HydrophobicContact CB-CG2 3.85Å; N627-V630 PolarHBondContact O-N 2.94Å; S628-V630 VanDerWaalsContact C-N 3.3Å
631Q97.3Very high96.8Very high50 Ų5039.6 Ų39.623%0.23422%0.221CC..  trans-132.3164.2171.663173.3-60.400108.7T669 N670Q631-T669 PolarHBondContact NE2-OG1 2.87Å; Q631-T669 PolarHBondContact OE1-OG1 3.26Å; Q631-N670 PolarHBondContact OE1-ND2 2.65Å
632Y98.4Very high96.6Very high2 Ų239.8 Ų39.81%0.00822%0.221CC..PPolyproline II helixtrans-63.5147.2174.2-88.2-127.7000110.6C566 N567 P570 K623 P625 L658 L662 Q668 N670C566-Y632 HydrophobicContact CB-CD1 4.41Å; C566-Y632 HydrophobicContact CB-CE1 4.45Å; N567-Y632 WeakPolarHBondContact CA-OH 3.32Å; N567-Y632 VanDerWaalsContact OD1-CE1 3.22Å; N567-Y632 WeakPolarHBondContact OD1-CE1 3.22Å; N567-Y632 PolarHBondContact OD1-OH 3.12Å; P570-Y632 HydrophobicContact CB-CD2 4.22Å; P570-Y632 HydrophobicContact CG-CD2 4.48Å; K623-Y632 PolarHBondContact N-OH 3.06Å; K623-Y632 VanDerWaalsContact O-CE2 3.22Å; K623-Y632 WeakPolarHBondContact O-CE2 3.34Å; P625-Y632 HydrophobicContact CG-CD2 4.04Å; P625-Y632 HydrophobicContact CG-CE2 4.17Å; Y632-L658 HydrophobicContact CD1-CD2 4.03Å; Y632-L658 HydrophobicContact CE1-CD2 3.73Å; Y632-L662 HydrophobicContact CD1-CD1 3.66Å; Y632-L662 HydrophobicContact CD2-CD1 3.7Å; Y632-L662 HydrophobicContact CD2-CD2 4.28Å; Y632-L662 HydrophobicContact CE1-CD1 3.91Å; Y632-L662 HydrophobicContact CE2-CD1 3.97Å; Y632-L662 HydrophobicContact CE2-CD2 4.23Å; Y632-L662 HydrophobicContact CG-CD1 3.53Å; Y632-Q668 PolarHBondContact O-NE2 3.09Å; Y632-Q668 VanDerWaalsContact O-NE2 3.08Å; Y632-N670 PolarHBondContact O-ND2 2.7Å
633P98.6Very high96.6Very high0 Ų039.7 Ų39.70%022%0.22CC..PPolyproline II helixtrans-58.6159.8170.725.7-34000110.6C566 F573 K574 A576 L635 I672C566-P633 HydrophobicContact CB-CG 4.25Å; C566-P633 VanDerWaalsContact SG-CG 3.53Å; F573-P633 HydrophobicContact CB-CB 4.09Å; F573-P633 HydrophobicContact CB-CG 4.33Å; K574-P633 WeakPolarHBondContact O-CA 3.33Å; A576-P633 HydrophobicContact CB-CB 4.5Å; A576-P633 HydrophobicContact CB-CG 4.17Å; P633-L635 PolarHBondContact O-N 2.84Å; P633-L635 VanDerWaalsContact O-N 3.13Å; P633-I672 WeakPolarHBondContact O-CD1 3.44Å
634A98.7Very high96.6Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-58.7119.1165.900000108.8K574 A575 A576 N670 P671 F701 A705K574-A634 PolarHBondContact O-N 2.84Å; A575-A634 CarbonylContact C-O 3.58Å; A575-A634 WeakPolarHBondContact CA-O 3.38Å; A575-A634 HydrophobicContact CB-CB 4.11Å; A576-A634 PolarHBondContact N-O 3.05Å; A634-N670 HydrophobicContact CB-CB 4.09Å; A634-P671 CarbonylContact C-O 3.59Å; A634-P671 VanDerWaalsContact CA-O 3.3Å; A634-P671 WeakPolarHBondContact CA-O 3.19Å; A634-P671 HydrophobicContact CB-CG 3.84Å; A634-F701 HydrophobicContact CB-CE1 4.44Å; A634-F701 HydrophobicContact CB-CE2 4.46Å; A634-F701 HydrophobicContact CB-CZ 3.75Å; A634-A705 HydrophobicContact CB-CB 3.54Å
635L98.9Very high96.6Very high2 Ų232.7 Ų32.71%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-115.1126.5-174.1179.162.9000110.7A576 A578 P633 I637 F654 L658 P671 I672 L673A576-L635 HydrophobicContact CB-CD1 3.64Å; A576-L635 WeakPolarHBondContact O-CA 3.42Å; A578-L635 HydrophobicContact CB-CD1 4.49Å; P633-L635 PolarHBondContact O-N 2.84Å; P633-L635 VanDerWaalsContact O-N 3.13Å; L635-I637 HydrophobicContact CD1-CG1 4.4Å; L635-I637 HydrophobicContact CD2-CD1 4.16Å; L635-I637 HydrophobicContact CD2-CG1 4.13Å; L635-I637 HydrophobicContact CG-CG1 4.07Å; L635-F654 HydrophobicContact CD2-CE1 4.25Å; L635-L658 HydrophobicContact CD2-CD1 3.57Å; L635-P671 PolarHBondContact N-O 2.89Å; L635-I672 HydrophobicContact CB-CD1 3.88Å; L635-I672 HydrophobicContact CB-CG2 4.38Å; L635-I672 HydrophobicContact CD2-CG2 4.39Å; L635-L673 PolarHBondContact O-N 3.26Å
636L98.9Very high96.8Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-112.6116.9165.8-179.665.3000109.1T52 A576 V577 A578 L638 L673 R675 I698 F701T52-L636 HydrophobicContact CG2-CD1 4.11Å; A576-L636 PolarHBondContact O-N 2.98Å; V577-L636 WeakPolarHBondContact CA-O 3.41Å; A578-L636 PolarHBondContact N-O 3.46Å; L636-L638 HydrophobicContact CD2-CD1 3.88Å; L636-L638 HydrophobicContact CD2-CD2 4.44Å; L636-L638 HydrophobicContact CD2-CG 4.27Å; L636-L638 HydrophobicContact CG-CD1 3.78Å; L636-L638 HydrophobicContact CG-CG 4.17Å; L636-L673 WeakPolarHBondContact CA-O 3.09Å; L636-L673 HydrophobicContact CD1-CB 4.13Å; L636-R675 HydrophobicContact CD1-CB 4.42Å; L636-I698 HydrophobicContact CD2-CG1 4.33Å; L636-F701 HydrophobicContact CB-CD1 3.66Å; L636-F701 HydrophobicContact CB-CD2 4.06Å; L636-F701 HydrophobicContact CB-CE1 3.64Å; L636-F701 HydrophobicContact CB-CE2 4.03Å; L636-F701 HydrophobicContact CB-CG 3.88Å; L636-F701 HydrophobicContact CB-CZ 3.82Å; L636-F701 HydrophobicContact CD2-CB 3.84Å; L636-F701 HydrophobicContact CD2-CD1 4.13Å; L636-F701 HydrophobicContact CD2-CG 3.92Å; L636-F701 HydrophobicContact CG-CG 4.4Å
637I98.9Very high97Very high0 Ų025.8 Ų25.80%014%0.138CC..EExtended strand (participates in β ladder)trans-94.1133.8169.8-59.5169.2000108.1A578 P581 L635 F654 I655 L658 L673 I674 R675A578-I637 CarbonylContact O-C 3.02Å; A578-I637 WeakPolarHBondContact O-CA 3.31Å; P581-I637 HydrophobicContact CG-CG2 3.97Å; L635-I637 HydrophobicContact CD1-CG1 4.4Å; L635-I637 HydrophobicContact CD2-CD1 4.16Å; L635-I637 HydrophobicContact CD2-CG1 4.13Å; L635-I637 HydrophobicContact CG-CG1 4.07Å; I637-F654 HydrophobicContact CD1-CD1 3.61Å; I637-F654 HydrophobicContact CD1-CE1 4.16Å; I637-I655 HydrophobicContact CD1-CB 4.13Å; I637-I655 HydrophobicContact CD1-CD1 4.17Å; I637-L658 HydrophobicContact CD1-CD1 4.25Å; I637-L673 PolarHBondContact N-O 2.76Å; I637-I674 HydrophobicContact CB-CB 4.22Å; I637-I674 HydrophobicContact CB-CD1 4.47Å; I637-I674 HydrophobicContact CB-CG1 4.01Å; I637-I674 HydrophobicContact CG2-CD1 4.15Å; I637-I674 HydrophobicContact CG2-CG1 4.08Å; I637-I674 CarbonylContact O-C 3.49Å; I637-I674 WeakPolarHBondContact O-CA 3.32Å; I637-R675 PolarHBondContact O-N 3.39Å
638L98.9Very high97.2Very high4 Ų422.6 Ų22.62%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-119.3133.8174.5-60.195.5000109V577 A578 Q579 V580 L636 R675 E694 I698V577-L638 HydrophobicContact CG1-CD1 3.51Å; A578-L638 PolarHBondContact O-N 3.29Å; Q579-L638 CarbonylContact C-O 3.55Å; Q579-L638 HydrophobicContact CG-CB 4.13Å; Q579-L638 HydrophobicContact CG-CD1 3.88Å; Q579-L638 HydrophobicContact CG-CG 4.48Å; V580-L638 PolarHBondContact N-O 2.92Å; L636-L638 HydrophobicContact CD2-CD1 3.88Å; L636-L638 HydrophobicContact CD2-CD2 4.44Å; L636-L638 HydrophobicContact CD2-CG 4.27Å; L636-L638 HydrophobicContact CG-CD1 3.78Å; L636-L638 HydrophobicContact CG-CG 4.17Å; L638-R675 WeakPolarHBondContact CA-O 2.97Å; L638-R675 HydrophobicContact CG-CB 4.35Å; L638-E694 HydrophobicContact CD2-CG 3.5Å; L638-I698 HydrophobicContact CD1-CD1 4.4Å; L638-I698 HydrophobicContact CD1-CG1 4.16Å; L638-I698 HydrophobicContact CD2-CD1 4.13Å; L638-I698 HydrophobicContact CD2-CG1 3.92Å
639T98.7Very high97.6Very high7 Ų719.1 Ų19.14%0.04310%0.097CC..EExtended strand (participates in β ladder)trans-149.1173.8174.3-160.10000109.1P648 F652 I674 R675 I676 E677T639-P648 HydrophobicContact CG2-CB 3.97Å; T639-F652 HydrophobicContact CG2-CD1 4.46Å; T639-F652 HydrophobicContact CG2-CE1 3.77Å; T639-I674 HydrophobicContact CG2-CD1 4.25Å; T639-R675 PolarHBondContact N-O 3.01Å; T639-I676 HydrophobicContact CG2-CB 4.48Å; T639-I676 HydrophobicContact CG2-CG1 4.09Å; T639-I676 HydrophobicContact CG2-CG2 4.25Å; T639-I676 WeakPolarHBondContact O-CA 3.49Å; T639-E677 PolarHBondContact O-N 2.84Å
640A97.7Very high97.9Very high1 Ų112.2 Ų12.21%0.0086%0.06CC..EExtended strand (participates in β ladder)trans-131.9157.4173.700000111.8D643 P648 E677 A680A640-D643 PolarHBondContact O-N 3.12Å; A640-P648 WeakPolarHBondContact O-CB 3.5Å; A640-E677 VanDerWaalsContact CA-O 3.28Å; A640-E677 WeakPolarHBondContact CA-O 3.4Å; A640-E677 HydrophobicContact CB-CB 4.11Å; A640-A680 HydrophobicContact CB-CB 3.81Å; A640-A680 WeakPolarHBondContact CB-O 3.45Å
641D94.6Very high98Very high46 Ų4611.1 Ų11.125%0.2465%0.053CC..THydrogen-bonded Turntrans-75.7-19.3-174.162.2-6.1000114.4E677 Q678 K679D641-E677 PolarHBondContact N-O 2.94Å; D641-Q678 WeakPolarHBondContact OD1-CA 3.2Å; D641-Q678 WeakPolarHBondContact OD2-CA 3.44Å; D641-K679 PolarHBondContact OD1-N 3.17Å; D641-K679 PolarHBondContact OD2-N 3.27Å
642H93.9Very high98Very high36 Ų369 Ų917%0.1674%0.043CC..THydrogen-bonded Turntrans-107.523.8173.9-61.757000112D200 G201 T202 D644 A680 G681D200-H642 PolarHBondContact O-CD2 3.39Å; G201-H642 CarbonylContact O-C 3.59Å; G201-H642 VanDerWaalsContact O-C 3.29Å; G201-H642 VanDerWaalsContact O-CA 3.26Å; G201-H642 WeakPolarHBondContact O-CA 3.49Å; T202-H642 WeakPolarHBondContact CG2-NE2 3.31Å; H642-D644 VanDerWaalsContact C-N 3.33Å; H642-D644 PolarHBondContact O-N 3.29Å; H642-A680 CarbonylContact C-O 3.49Å; H642-A680 WeakPolarHBondContact CA-O 3.41Å; H642-A680 WeakPolarHBondContact CB-O 3.37Å; H642-A680 PolarHBondContact N-O 2.95Å; H642-G681 WeakPolarHBondContact O-CA 3.31Å
643D97.6Very high98.1Very high0 Ų08.9 Ų8.90%04%0.043CC..  trans-77.186.8172.4-169.8-9.5000110.2V580 A640 R645 V646 V647 H682V580-D643 VanDerWaalsContact CB-OD2 3.31Å; V580-D643 WeakPolarHBondContact CB-OD2 3.16Å; V580-D643 WeakPolarHBondContact CG1-OD2 3.49Å; A640-D643 PolarHBondContact O-N 3.12Å; D643-R645 VanDerWaalsContact C-N 3.3Å; D643-R645 WeakPolarHBondContact OD1-CB 3.31Å; D643-R645 PolarHBondContact OD1-N 2.87Å; D643-V646 CarbonylContact O-C 3.55Å; D643-V646 PolarHBondContact OD1-N 3.25Å; D643-V647 VanDerWaalsContact O-CA 3.28Å; D643-V647 WeakPolarHBondContact O-CA 3.44Å; D643-V647 PolarHBondContact O-N 3.22Å; D643-H682 WeakPolarHBondContact OD1-CB 3.47Å; D643-H682 IonicContact OD1-CG 2.77Å; D643-H682 IonicContact OD1-ND1 2.96Å; D643-H682 PolarHBondContact OD1-ND1 3.34Å; D643-H682 VanDerWaalsContact OD1-ND1 3.11Å; D643-H682 WeakPolarHBondContact OD2-CA 3.49Å; D643-H682 IonicContact OD2-CE1 3.82Å; D643-H682 IonicContact OD2-CG 2.7Å; D643-H682 IonicContact OD2-ND1 2.84Å; D643-H682 PolarHBondContact OD2-ND1 3.44Å
644D97Very high98.1Very high0 Ų08.9 Ų8.90%04%0.043CC..  trans-87.13.2174.460.4-9.4000113.5S150 D151 K174 T592 H642S150-D644 PolarHBondContact OG-OD2 2.83Å; D151-D644 WeakPolarHBondContact CB-OD1 3.44Å; D151-D644 PolarHBondContact N-OD1 2.76Å; D151-D644 PolarHBondContact N-OD2 2.9Å; D151-D644 VanDerWaalsContact N-OD2 3.14Å; K174-D644 WeakPolarHBondContact CE-OD2 3.31Å; K174-D644 IonicContact NZ-OD2 3.28Å; K174-D644 PolarHBondContact NZ-OD2 2.92Å; T592-D644 WeakPolarHBondContact CB-O 3.48Å; T592-D644 HydrophobicContact CG2-CB 4.32Å; T592-D644 WeakPolarHBondContact CG2-O 3.21Å; T592-D644 PolarHBondContact OG1-O 3.44Å; H642-D644 VanDerWaalsContact C-N 3.33Å; H642-D644 PolarHBondContact O-N 3.29Å
645R97.9Very high98.1Very high62 Ų628.9 Ų8.923%0.2344%0.043CC..SBendtrans-83.6-60.1166.8-178.269.260.670.919.1109.4D151 W597 D643 H682D151-R645 VanDerWaalsContact CG-NH2 3.29Å; D151-R645 IonicContact OD1-CZ 3.74Å; D151-R645 IonicContact OD1-NH2 2.81Å; D151-R645 PolarHBondContact OD1-NH2 3.18Å; D151-R645 IonicContact OD2-CZ 3.36Å; D151-R645 VanDerWaalsContact OD2-CZ 3.24Å; D151-R645 IonicContact OD2-NE 2.69Å; D151-R645 PolarHBondContact OD2-NE 3.3Å; D151-R645 IonicContact OD2-NH2 2.72Å; D151-R645 PolarHBondContact OD2-NH2 3.48Å; W597-R645 WeakPolarHBondContact CH2-O 3.25Å; W597-R645 HydrophobicContact CZ2-CG 4.44Å; W597-R645 WeakPolarHBondContact CZ2-O 3.34Å; D643-R645 VanDerWaalsContact C-N 3.3Å; D643-R645 WeakPolarHBondContact OD1-CB 3.31Å; D643-R645 PolarHBondContact OD1-N 2.87Å; R645-H682 HydrophobicContact CB-CB 3.77Å; R645-H682 HydrophobicContact CG-CB 4.49Å
646V98.6Very high98Very high2 Ų28.8 Ų8.81%0.0124%0.042CC..SBendtrans-116.892.4175.2179.90000107.9V582 W597 D643 H650 H682V582-V646 HydrophobicContact CG2-CG1 3.79Å; V582-V646 HydrophobicContact CG2-CG2 3.79Å; W597-V646 HydrophobicContact CH2-CB 4.44Å; W597-V646 HydrophobicContact CH2-CG2 3.71Å; W597-V646 HydrophobicContact CZ2-CG2 4.21Å; W597-V646 HydrophobicContact CZ3-CG2 4.39Å; D643-V646 CarbonylContact O-C 3.55Å; D643-V646 PolarHBondContact OD1-N 3.25Å; V646-H650 HydrophobicContact CG1-CB 4.46Å; V646-H682 WeakPolarHBondContact CG2-CE1 3.23Å
647V98.3Very high98Very high2 Ų29.4 Ų9.41%0.0125%0.046CC..  trans-47.8131.4-176.8-72.90000112.2T204 F591 T592 D643 L649 H650T204-V647 HydrophobicContact CG2-CB 4.27Å; T204-V647 HydrophobicContact CG2-CG1 3.94Å; F591-V647 HydrophobicContact CB-CB 4.47Å; F591-V647 HydrophobicContact CB-CG1 4.02Å; F591-V647 HydrophobicContact CB-CG2 3.64Å; F591-V647 HydrophobicContact CD2-CG2 3.88Å; F591-V647 HydrophobicContact CG-CG2 3.87Å; T592-V647 HydrophobicContact CG2-CG1 3.67Å; D643-V647 VanDerWaalsContact O-CA 3.28Å; D643-V647 WeakPolarHBondContact O-CA 3.44Å; D643-V647 PolarHBondContact O-N 3.22Å; V647-L649 HydrophobicContact CB-CD2 3.94Å; V647-L649 HydrophobicContact CB-CG 4.04Å; V647-L649 HydrophobicContact CG2-CD1 4.08Å; V647-L649 HydrophobicContact CG2-CD2 3.58Å; V647-L649 HydrophobicContact CG2-CG 3.61Å; V647-L649 PolarHBondContact O-N 3.07Å; V647-H650 PolarHBondContact O-CD2 2.98Å; V647-H650 PolarHBondContact O-N 2.91Å; V647-H650 VanDerWaalsContact O-N 3.07Å
648P98.4Very high98Very high13 Ų139.4 Ų9.48%0.0845%0.046CC..THydrogen-bonded Turntrans-66.8-13.8-167.726.2-36.3000113.8T639 A640 H650 S651 F652T639-P648 HydrophobicContact CG2-CB 3.97Å; A640-P648 WeakPolarHBondContact O-CB 3.5Å; P648-H650 PolarHBondContact O-N 3.12Å; P648-H650 VanDerWaalsContact O-N 3.11Å; P648-S651 WeakPolarHBondContact O-CB 3.47Å; P648-S651 PolarHBondContact O-N 2.86Å; P648-F652 HydrophobicContact CB-CE1 3.9Å; P648-F652 HydrophobicContact CB-CE2 3.95Å; P648-F652 HydrophobicContact CB-CZ 3.57Å; P648-F652 HydrophobicContact CG-CE2 4.1Å; P648-F652 HydrophobicContact CG-CZ 4.05Å; P648-F652 VanDerWaalsContact O-CD1 3.29Å; P648-F652 WeakPolarHBondContact O-CD1 3.33Å; P648-F652 VanDerWaalsContact O-CG 3.26Å; P648-F652 WeakPolarHBondContact O-CG 3.44Å; P648-F652 PolarHBondContact O-N 2.73Å
649L98.6Very high97.9Very high4 Ų49.3 Ų9.32%0.0215%0.045CC..Hα-helixtrans-51.4-30.6169.566.587.4000112.9E34 T204 F591 V647 S651 F652 K653E34-L649 HydrophobicContact CB-CD2 4Å; E34-L649 HydrophobicContact CG-CB 4.29Å; E34-L649 HydrophobicContact CG-CD1 4.19Å; E34-L649 HydrophobicContact CG-CD2 3.99Å; E34-L649 HydrophobicContact CG-CG 4.38Å; T204-L649 HydrophobicContact CG2-CD2 3.96Å; F591-L649 HydrophobicContact CD1-CD2 4.09Å; F591-L649 HydrophobicContact CD2-CD1 4.24Å; F591-L649 HydrophobicContact CD2-CD2 4.17Å; F591-L649 HydrophobicContact CE1-CD2 3.99Å; F591-L649 HydrophobicContact CE2-CD1 3.82Å; F591-L649 HydrophobicContact CE2-CD2 4.08Å; F591-L649 HydrophobicContact CG-CD2 4.18Å; F591-L649 HydrophobicContact CZ-CD1 4.26Å; F591-L649 HydrophobicContact CZ-CD2 3.99Å; V647-L649 HydrophobicContact CB-CD2 3.94Å; V647-L649 HydrophobicContact CB-CG 4.04Å; V647-L649 HydrophobicContact CG2-CD1 4.08Å; V647-L649 HydrophobicContact CG2-CD2 3.58Å; V647-L649 HydrophobicContact CG2-CG 3.61Å; V647-L649 PolarHBondContact O-N 3.07Å; L649-S651 VanDerWaalsContact C-N 3.34Å; L649-S651 PolarHBondContact O-N 2.91Å; L649-F652 PolarHBondContact O-N 2.84Å; L649-K653 HydrophobicContact CD1-CD 4.27Å; L649-K653 WeakPolarHBondContact O-CB 3.14Å; L649-K653 VanDerWaalsContact O-CG 3.29Å; L649-K653 WeakPolarHBondContact O-CG 3.36Å; L649-K653 PolarHBondContact O-N 3.41Å
650H98.9Very high97.8Very high1 Ų112 Ų121%0.0056%0.057CC..Hα-helixtrans-59-48.7175.2-77.6-61.9000111P581 C583 D584 V646 V647 P648 F654P581-H650 VanDerWaalsContact O-CB 3.24Å; P581-H650 WeakPolarHBondContact O-CB 3.38Å; C583-H650 HydrophobicContact CB-CB 4.38Å; C583-H650 WeakPolarHBondContact CB-O 3.45Å; D584-H650 PolarHBondContact N-ND1 2.78Å; D584-H650 PolarHBondContact O-CE1 2.81Å; V646-H650 HydrophobicContact CG1-CB 4.46Å; V647-H650 PolarHBondContact O-CD2 2.98Å; V647-H650 PolarHBondContact O-N 2.91Å; V647-H650 VanDerWaalsContact O-N 3.07Å; P648-H650 PolarHBondContact O-N 3.12Å; P648-H650 VanDerWaalsContact O-N 3.11Å; H650-F654 VanDerWaalsContact O-CB 3.27Å; H650-F654 WeakPolarHBondContact O-CB 3.28Å; H650-F654 PolarHBondContact O-N 3.38Å
651S98.8Very high97.7Very high1 Ų115.8 Ų15.81%0.0077%0.074CC..Hα-helixtrans-68-41.6176.7-61.50000111.5P581 P648 L649 F654 I655P581-S651 WeakPolarHBondContact CD-OG 3.43Å; P648-S651 WeakPolarHBondContact O-CB 3.47Å; P648-S651 PolarHBondContact O-N 2.86Å; L649-S651 VanDerWaalsContact C-N 3.34Å; L649-S651 PolarHBondContact O-N 2.91Å; S651-F654 PolarHBondContact O-N 3.18Å; S651-I655 VanDerWaalsContact O-CG2 3.29Å; S651-I655 WeakPolarHBondContact O-CG2 3.4Å; S651-I655 PolarHBondContact O-N 3.42Å
652F98.7Very high97.8Very high6 Ų613.7 Ų13.73%0.0266%0.062CC..Hα-helixtrans-65.5-47.8-176.5-59.2-13.3000112.8L33 T41 F44 V45 T639 P648 L649 F654 I655 A656 I674 I676L33-F652 HydrophobicContact CB-CB 4.11Å; L33-F652 HydrophobicContact CD1-CB 3.94Å; L33-F652 HydrophobicContact CD2-CB 4.25Å; L33-F652 HydrophobicContact CG-CB 4.33Å; T41-F652 HydrophobicContact CG2-CD2 4.25Å; T41-F652 HydrophobicContact CG2-CE2 4.14Å; F44-F652 HydrophobicContact CE1-CB 3.79Å; F44-F652 HydrophobicContact CE1-CD1 4.15Å; F44-F652 HydrophobicContact CE1-CG 4Å; F44-F652 HydrophobicContact CZ-CB 4.4Å; V45-F652 HydrophobicContact CG2-CE1 4.18Å; V45-F652 HydrophobicContact CG2-CE2 3.99Å; V45-F652 HydrophobicContact CG2-CZ 3.68Å; T639-F652 HydrophobicContact CG2-CD1 4.46Å; T639-F652 HydrophobicContact CG2-CE1 3.77Å; P648-F652 HydrophobicContact CB-CE1 3.9Å; P648-F652 HydrophobicContact CB-CE2 3.95Å; P648-F652 HydrophobicContact CB-CZ 3.57Å; P648-F652 HydrophobicContact CG-CE2 4.1Å; P648-F652 HydrophobicContact CG-CZ 4.05Å; P648-F652 VanDerWaalsContact O-CD1 3.29Å; P648-F652 WeakPolarHBondContact O-CD1 3.33Å; P648-F652 VanDerWaalsContact O-CG 3.26Å; P648-F652 WeakPolarHBondContact O-CG 3.44Å; P648-F652 PolarHBondContact O-N 2.73Å; L649-F652 PolarHBondContact O-N 2.84Å; F652-F654 VanDerWaalsContact C-N 3.31Å; F652-F654 PolarHBondContact O-N 2.85Å; F652-I655 VanDerWaalsContact O-CG2 3.28Å; F652-I655 WeakPolarHBondContact O-CG2 3.44Å; F652-A656 WeakPolarHBondContact O-CB 3.24Å; F652-A656 PolarHBondContact O-N 2.98Å; F652-A656 VanDerWaalsContact O-N 3.11Å; F652-I674 HydrophobicContact CD1-CD1 3.99Å; F652-I674 HydrophobicContact CE1-CD1 4.38Å; F652-I676 HydrophobicContact CD1-CG1 4.43Å; F652-I676 HydrophobicContact CE1-CG1 3.6Å; F652-I676 HydrophobicContact CE1-CG2 4.15Å; F652-I676 HydrophobicContact CZ-CG1 4.34Å; F652-I676 HydrophobicContact CZ-CG2 4.18Å
653K98.8Very high97.7Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-65.8-38.2177.9-65.6171.969.6179.70111.2D28 L33 E34 D584 L619 L649 T657D28-K653 WeakPolarHBondContact OD1-CE 3.5Å; D28-K653 IonicContact OD1-NZ 2.73Å; D28-K653 PolarHBondContact OD1-NZ 2.88Å; D28-K653 IonicContact OD2-NZ 2.73Å; D28-K653 PolarHBondContact OD2-NZ 2.98Å; L33-K653 HydrophobicContact CB-CG 4.24Å; E34-K653 HydrophobicContact CG-CD 4.06Å; E34-K653 IonicContact OE1-NZ 2.65Å; E34-K653 PolarHBondContact OE1-NZ 2.94Å; D584-K653 IonicContact OD2-NZ 3.74Å; D584-K653 PolarHBondContact OD2-NZ 2.95Å; L619-K653 HydrophobicContact CD1-CB 4.01Å; L619-K653 WeakPolarHBondContact CD1-O 3.41Å; L619-K653 HydrophobicContact CD2-CB 4.15Å; L649-K653 HydrophobicContact CD1-CD 4.27Å; L649-K653 WeakPolarHBondContact O-CB 3.14Å; L649-K653 VanDerWaalsContact O-CG 3.29Å; L649-K653 WeakPolarHBondContact O-CG 3.36Å; L649-K653 PolarHBondContact O-N 3.41Å; K653-T657 WeakPolarHBondContact O-CB 3.33Å; K653-T657 PolarHBondContact O-N 2.97Å; K653-T657 VanDerWaalsContact O-N 3.07Å; K653-T657 PolarHBondContact O-OG1 3.1Å
654F98.8Very high97.2Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-68.7-48.2-179.5-172.5-125.9000112.3C563 C583 P618 V622 L635 I637 H650 S651 F652 A656 T657 L658C563-F654 HydrophobicContact CB-CD1 4.45Å; C563-F654 HydrophobicContact CB-CE1 3.61Å; C563-F654 HydrophobicContact CB-CZ 3.79Å; C563-F654 WeakPolarHBondContact SG-CE1 3.21Å; C583-F654 HydrophobicContact CB-CB 3.67Å; C583-F654 HydrophobicContact CB-CD1 4.36Å; C583-F654 HydrophobicContact CB-CD2 4.34Å; C583-F654 HydrophobicContact CB-CG 3.89Å; C583-F654 VanDerWaalsContact SG-CD1 3.59Å; P618-F654 HydrophobicContact CB-CD2 4.17Å; P618-F654 HydrophobicContact CB-CE2 3.7Å; P618-F654 HydrophobicContact CB-CZ 3.96Å; P618-F654 WeakPolarHBondContact O-CE2 3.46Å; V622-F654 HydrophobicContact CG2-CD2 4.05Å; V622-F654 HydrophobicContact CG2-CE2 3.47Å; V622-F654 VanDerWaalsContact CG2-CE2 3.47Å; V622-F654 HydrophobicContact CG2-CZ 4.37Å; L635-F654 HydrophobicContact CD2-CE1 4.25Å; I637-F654 HydrophobicContact CD1-CD1 3.61Å; I637-F654 HydrophobicContact CD1-CE1 4.16Å; H650-F654 VanDerWaalsContact O-CB 3.27Å; H650-F654 WeakPolarHBondContact O-CB 3.28Å; H650-F654 PolarHBondContact O-N 3.38Å; S651-F654 PolarHBondContact O-N 3.18Å; F652-F654 VanDerWaalsContact C-N 3.31Å; F652-F654 PolarHBondContact O-N 2.85Å; F654-A656 VanDerWaalsContact C-N 3.3Å; F654-A656 PolarHBondContact O-N 3.27Å; F654-T657 PolarHBondContact O-N 3.33Å; F654-L658 HydrophobicContact CD1-CD1 3.69Å; F654-L658 HydrophobicContact CD2-CD1 4.35Å; F654-L658 HydrophobicContact CD2-CG 4.37Å; F654-L658 HydrophobicContact CE1-CD1 3.42Å; F654-L658 VanDerWaalsContact CE1-CD1 3.42Å; F654-L658 HydrophobicContact CE1-CG 4.27Å; F654-L658 HydrophobicContact CE2-CD1 4.15Å; F654-L658 HydrophobicContact CE2-CD2 4.34Å; F654-L658 HydrophobicContact CE2-CG 4.12Å; F654-L658 HydrophobicContact CG-CD1 4.15Å; F654-L658 HydrophobicContact CZ-CD1 3.68Å; F654-L658 HydrophobicContact CZ-CD2 4.13Å; F654-L658 HydrophobicContact CZ-CG 4.05Å; F654-L658 WeakPolarHBondContact O-CG 3.49Å; F654-L658 PolarHBondContact O-N 3.06Å
655I98.7Very high96.8Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-62.8-38.3177.4-170.364.5000111.5F44 I637 S651 F652 T657 L658 Q659 I672 I674F44-I655 HydrophobicContact CE1-CG2 4.41Å; F44-I655 HydrophobicContact CZ-CG2 3.72Å; I637-I655 HydrophobicContact CD1-CB 4.13Å; I637-I655 HydrophobicContact CD1-CD1 4.17Å; S651-I655 VanDerWaalsContact O-CG2 3.29Å; S651-I655 WeakPolarHBondContact O-CG2 3.4Å; S651-I655 PolarHBondContact O-N 3.42Å; F652-I655 VanDerWaalsContact O-CG2 3.28Å; F652-I655 WeakPolarHBondContact O-CG2 3.44Å; I655-T657 PolarHBondContact O-N 3.48Å; I655-L658 PolarHBondContact O-N 2.69Å; I655-Q659 HydrophobicContact CD1-CG 4.22Å; I655-Q659 HydrophobicContact CG1-CG 4.29Å; I655-Q659 WeakPolarHBondContact O-CB 3.39Å; I655-Q659 WeakPolarHBondContact O-CG 3.27Å; I655-Q659 PolarHBondContact O-N 2.65Å; I655-I672 HydrophobicContact CD1-CG2 3.59Å; I655-I674 HydrophobicContact CB-CB 4.32Å; I655-I674 HydrophobicContact CB-CD1 4.43Å; I655-I674 HydrophobicContact CB-CG2 4.37Å; I655-I674 HydrophobicContact CD1-CB 4.4Å; I655-I674 HydrophobicContact CG1-CB 3.96Å; I655-I674 HydrophobicContact CG1-CG2 3.83Å; I655-I674 HydrophobicContact CG2-CB 4.38Å; I655-I674 HydrophobicContact CG2-CD1 3.97Å; I655-I674 HydrophobicContact CG2-CG2 4.04Å
656A98.5Very high96.3Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-61.2-45.6176.100000112.1I11 Y30 L33 F44 F652 F654 Q659 E660I11-A656 HydrophobicContact CD1-CB 3.81Å; I11-A656 HydrophobicContact CG2-CB 4.17Å; Y30-A656 HydrophobicContact CD1-CB 3.93Å; Y30-A656 HydrophobicContact CD2-CB 3.79Å; Y30-A656 HydrophobicContact CE1-CB 4.04Å; Y30-A656 HydrophobicContact CE2-CB 3.9Å; Y30-A656 HydrophobicContact CG-CB 3.8Å; L33-A656 HydrophobicContact CD1-CB 4.22Å; F44-A656 HydrophobicContact CE2-CB 4.3Å; F44-A656 HydrophobicContact CZ-CB 4.43Å; F652-A656 WeakPolarHBondContact O-CB 3.24Å; F652-A656 PolarHBondContact O-N 2.98Å; F652-A656 VanDerWaalsContact O-N 3.11Å; F654-A656 VanDerWaalsContact C-N 3.3Å; F654-A656 PolarHBondContact O-N 3.27Å; A656-Q659 PolarHBondContact O-N 3.26Å; A656-E660 WeakPolarHBondContact O-CB 3.47Å; A656-E660 PolarHBondContact O-N 3.47Å
657T98.2Very high96Very high12 Ų1228.4 Ų28.47%0.07415%0.145CC..Hα-helixtrans-66.7-39.8177.8-560000112.3L619 V622 K653 F654 I655 K661L619-T657 HydrophobicContact CD1-CG2 4.5Å; L619-T657 VanDerWaalsContact CD1-OG1 3.27Å; L619-T657 WeakPolarHBondContact CD1-OG1 3.29Å; V622-T657 HydrophobicContact CB-CG2 4.1Å; V622-T657 HydrophobicContact CG2-CG2 4.12Å; K653-T657 WeakPolarHBondContact O-CB 3.33Å; K653-T657 PolarHBondContact O-N 2.97Å; K653-T657 VanDerWaalsContact O-N 3.07Å; K653-T657 PolarHBondContact O-OG1 3.1Å; F654-T657 PolarHBondContact O-N 3.33Å; I655-T657 PolarHBondContact O-N 3.48Å; T657-K661 HydrophobicContact CG2-CD 4.06Å; T657-K661 WeakPolarHBondContact O-CB 3.3Å; T657-K661 WeakPolarHBondContact O-CG 3.22Å; T657-K661 PolarHBondContact O-N 3.07Å; T657-K661 VanDerWaalsContact O-N 3.09Å
658L98.2Very high95.9Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-63.5-48.3175.7-74.5164.6000111.6V622 Y632 L635 I637 F654 I655 K661 L662 I672V622-L658 HydrophobicContact CB-CD2 4.46Å; V622-L658 HydrophobicContact CG1-CD2 3.76Å; V622-L658 HydrophobicContact CG1-CG 4.45Å; V622-L658 HydrophobicContact CG2-CD2 3.83Å; V622-L658 HydrophobicContact CG2-CG 4.13Å; Y632-L658 HydrophobicContact CD1-CD2 4.03Å; Y632-L658 HydrophobicContact CE1-CD2 3.73Å; L635-L658 HydrophobicContact CD2-CD1 3.57Å; I637-L658 HydrophobicContact CD1-CD1 4.25Å; F654-L658 HydrophobicContact CD1-CD1 3.69Å; F654-L658 HydrophobicContact CD2-CD1 4.35Å; F654-L658 HydrophobicContact CD2-CG 4.37Å; F654-L658 HydrophobicContact CE1-CD1 3.42Å; F654-L658 VanDerWaalsContact CE1-CD1 3.42Å; F654-L658 HydrophobicContact CE1-CG 4.27Å; F654-L658 HydrophobicContact CE2-CD1 4.15Å; F654-L658 HydrophobicContact CE2-CD2 4.34Å; F654-L658 HydrophobicContact CE2-CG 4.12Å; F654-L658 HydrophobicContact CG-CD1 4.15Å; F654-L658 HydrophobicContact CZ-CD1 3.68Å; F654-L658 HydrophobicContact CZ-CD2 4.13Å; F654-L658 HydrophobicContact CZ-CG 4.05Å; F654-L658 WeakPolarHBondContact O-CG 3.49Å; F654-L658 PolarHBondContact O-N 3.06Å; I655-L658 PolarHBondContact O-N 2.69Å; L658-K661 PolarHBondContact O-N 3.42Å; L658-L662 HydrophobicContact CD2-CD1 3.63Å; L658-L662 WeakPolarHBondContact O-CB 3.39Å; L658-L662 WeakPolarHBondContact O-CG 3.48Å; L658-L662 PolarHBondContact O-N 3.43Å; L658-I672 HydrophobicContact CB-CG2 3.88Å; L658-I672 HydrophobicContact CD1-CG2 3.96Å; L658-I672 HydrophobicContact CG-CG2 4.49Å
659Q97.8Very high95.7Very high3 Ų332.4 Ų32.41%0.01417%0.168CC..Iπ-helixtrans-64.6-42.5-178.6-72174.8-4.700111.6Y8 I11 I655 A656 C663 I672Y8-Q659 HydrophobicContact CD1-CG 3.85Å; Y8-Q659 HydrophobicContact CE1-CG 4.18Å; I11-Q659 HydrophobicContact CD1-CB 4.46Å; I655-Q659 HydrophobicContact CD1-CG 4.22Å; I655-Q659 HydrophobicContact CG1-CG 4.29Å; I655-Q659 WeakPolarHBondContact O-CB 3.39Å; I655-Q659 WeakPolarHBondContact O-CG 3.27Å; I655-Q659 PolarHBondContact O-N 2.65Å; A656-Q659 PolarHBondContact O-N 3.26Å; Q659-C663 VanDerWaalsContact O-CB 3.29Å; Q659-C663 WeakPolarHBondContact O-CB 3.27Å; Q659-C663 PolarHBondContact O-N 3.33Å; Q659-C663 VanDerWaalsContact O-N 3.07Å; Q659-I672 PolarHBondContact NE2-O 3.42Å; Q659-I672 VanDerWaalsContact NE2-O 3.15Å
660E95.7Very high95.7Very high63 Ų6332.9 Ų32.929%0.29417%0.171SC..Iπ-helixtrans-57.2-53.9174.3-178.5-130.8-176.300112.2K13 Y30 A656K13-E660 HydrophobicContact CD-CG 4.33Å; K13-E660 WeakPolarHBondContact CE-OE1 3.35Å; K13-E660 IonicContact NZ-OE1 2.73Å; K13-E660 PolarHBondContact NZ-OE1 2.93Å; Y30-E660 WeakPolarHBondContact OH-CB 3.13Å; Y30-E660 WeakPolarHBondContact OH-CG 3.49Å; A656-E660 WeakPolarHBondContact O-CB 3.47Å; A656-E660 PolarHBondContact O-N 3.47Å
661K95.6Very high95.6Very high80 Ų8033.3 Ų33.335%0.34817%0.174SC..Iπ-helixtrans-78.3-32-172.1-67.3-174.7178.8177.10113.9V622 I624 T657 L658V622-K661 HydrophobicContact CB-CD 4.1Å; V622-K661 HydrophobicContact CG1-CB 4.13Å; V622-K661 HydrophobicContact CG1-CD 3.86Å; V622-K661 WeakPolarHBondContact O-CD 3.43Å; V622-K661 PolarHBondContact O-NZ 3.47Å; V622-K661 VanDerWaalsContact O-NZ 3.17Å; I624-K661 WeakPolarHBondContact CD1-O 3.44Å; I624-K661 WeakPolarHBondContact CG1-O 3.39Å; T657-K661 HydrophobicContact CG2-CD 4.06Å; T657-K661 WeakPolarHBondContact O-CB 3.3Å; T657-K661 WeakPolarHBondContact O-CG 3.22Å; T657-K661 PolarHBondContact O-N 3.07Å; T657-K661 VanDerWaalsContact O-N 3.09Å; L658-K661 PolarHBondContact O-N 3.42Å
662L96.3Very high95.6Very high2 Ų233.3 Ų33.31%0.0117%0.173CC..Iπ-helixtrans-109.1-43.5-168.2-53178.9000112.7V622 I624 Y632 L658 H664 N665 Q668V622-L662 HydrophobicContact CG1-CD1 4.3Å; V622-L662 HydrophobicContact CG1-CD2 4.49Å; V622-L662 HydrophobicContact CG1-CG 4.25Å; I624-L662 HydrophobicContact CG1-CD2 3.96Å; Y632-L662 HydrophobicContact CD1-CD1 3.66Å; Y632-L662 HydrophobicContact CD2-CD1 3.7Å; Y632-L662 HydrophobicContact CD2-CD2 4.28Å; Y632-L662 HydrophobicContact CE1-CD1 3.91Å; Y632-L662 HydrophobicContact CE2-CD1 3.97Å; Y632-L662 HydrophobicContact CE2-CD2 4.23Å; Y632-L662 HydrophobicContact CG-CD1 3.53Å; L658-L662 HydrophobicContact CD2-CD1 3.63Å; L658-L662 WeakPolarHBondContact O-CB 3.39Å; L658-L662 WeakPolarHBondContact O-CG 3.48Å; L658-L662 PolarHBondContact O-N 3.43Å; L662-H664 VanDerWaalsContact C-N 3.3Å; L662-H664 PolarHBondContact O-N 2.7Å; L662-N665 WeakPolarHBondContact O-CB 3.34Å; L662-N665 PolarHBondContact O-N 3.49Å; L662-Q668 HydrophobicContact CB-CB 4.44Å; L662-Q668 HydrophobicContact CB-CG 4.03Å; L662-Q668 WeakPolarHBondContact O-CB 3.48Å
663C91.8Very high95.6Very high19 Ų1933 Ų3313%0.12817%0.172CC..Iπ-helixtrans-75.5-16.9-165.7-67.20000114.7Y8 Q659 N665Y8-C663 HydrophobicContact CD2-CB 3.42Å; Y8-C663 VanDerWaalsContact CD2-CB 3.42Å; Y8-C663 HydrophobicContact CE2-CB 3.42Å; Y8-C663 VanDerWaalsContact CE2-CB 3.42Å; Y8-C663 WeakPolarHBondContact CE2-SG 3.42Å; Y8-C663 HydrophobicContact CG-CB 4Å; Q659-C663 VanDerWaalsContact O-CB 3.29Å; Q659-C663 WeakPolarHBondContact O-CB 3.27Å; Q659-C663 PolarHBondContact O-N 3.33Å; Q659-C663 VanDerWaalsContact O-N 3.07Å; C663-N665 VanDerWaalsContact C-N 3.34Å
664H86.9Confident95.6Very high147 Ų14733 Ų3368%0.68117%0.172SC*.THydrogen-bonded Turntrans-87.6-3.9169.2-59.3-62.5000113L662L662-H664 VanDerWaalsContact C-N 3.3Å; L662-H664 PolarHBondContact O-N 2.7Å
665N88.7Confident95.6Very high38 Ų3834.2 Ų34.220%0.20318%0.177CC..SBendtrans-83.7124.7174.6-166-56.4000110.3L662 C663 R667 Q668L662-N665 WeakPolarHBondContact O-CB 3.34Å; L662-N665 PolarHBondContact O-N 3.49Å; C663-N665 VanDerWaalsContact C-N 3.34Å; N665-R667 PolarHBondContact O-N 3.34Å; N665-R667 VanDerWaalsContact OD1-CB 3.3Å; N665-R667 WeakPolarHBondContact OD1-CB 3.38Å; N665-R667 PolarHBondContact OD1-N 3.3Å; N665-Q668 PolarHBondContact O-N 2.93Å
666C88.5Confident95.6Very high123 Ų12334.5 Ų34.583%0.83118%0.178SC*.THydrogen-bonded Turntrans-60.9-17.3-179.661.50000114.6
667R91.5Very high95.5Very high82 Ų8235.7 Ų35.731%0.30918%0.184SC..THydrogen-bonded Turntrans-80.1-21.7175.3-60.9-170.8-74.4141.1-13.7113.5P625 N627 N665 T669P625-R667 PolarHBondContact O-NH1 2.82Å; P625-R667 PolarHBondContact O-NH2 3.16Å; P625-R667 VanDerWaalsContact O-NH2 3.15Å; N627-R667 PolarHBondContact O-NH1 3.36Å; N627-R667 VanDerWaalsContact O-NH1 3.1Å; N665-R667 PolarHBondContact O-N 3.34Å; N665-R667 VanDerWaalsContact OD1-CB 3.3Å; N665-R667 WeakPolarHBondContact OD1-CB 3.38Å; N665-R667 PolarHBondContact OD1-N 3.3Å; R667-T669 PolarHBondContact O-N 2.77Å
668Q96.2Very high95.2Very high21 Ų2140.9 Ų40.910%0.09821%0.207CC..  trans-87.794.7179-174.163.344.900109.5Y632 L662 N665 N670Y632-Q668 PolarHBondContact O-NE2 3.09Å; Y632-Q668 VanDerWaalsContact O-NE2 3.08Å; L662-Q668 HydrophobicContact CB-CB 4.44Å; L662-Q668 HydrophobicContact CB-CG 4.03Å; L662-Q668 WeakPolarHBondContact O-CB 3.48Å; N665-Q668 PolarHBondContact O-N 2.93Å; Q668-N670 PolarHBondContact NE2-O 2.81Å; Q668-N670 VanDerWaalsContact NE2-O 3.14Å
669T95.1Very high94.8Very high78 Ų7845.7 Ų45.748%0.47923%0.228SC..  trans-101.5-21.8179.560.50000112.9Q631 R667Q631-T669 PolarHBondContact NE2-OG1 2.87Å; Q631-T669 PolarHBondContact OE1-OG1 3.26Å; R667-T669 PolarHBondContact O-N 2.77Å
670N97.1Very high94.5Very high15 Ų1545.6 Ų45.68%0.0823%0.228CC..SBendtrans-70.6140.2173.6-66.7-34.7000110.8K574 Q631 Y632 A634 Q668K574-N670 PolarHBondContact NZ-OD1 2.91Å; Q631-N670 PolarHBondContact OE1-ND2 2.65Å; Y632-N670 PolarHBondContact O-ND2 2.7Å; A634-N670 HydrophobicContact CB-CB 4.09Å; Q668-N670 PolarHBondContact NE2-O 2.81Å; Q668-N670 VanDerWaalsContact NE2-O 3.14Å
671P97.8Very high94.4Very high10 Ų1042.8 Ų42.87%0.06522%0.215CC..  trans-69.1143.8-178.831.7-39.7000112.5I6 F55 A634 L635 L673 F701 A705I6-P671 HydrophobicContact CD1-CB 3.59Å; F55-P671 HydrophobicContact CD2-CB 4.2Å; F55-P671 HydrophobicContact CE1-CG 4.17Å; F55-P671 HydrophobicContact CE2-CB 3.82Å; F55-P671 HydrophobicContact CE2-CG 3.78Å; F55-P671 HydrophobicContact CZ-CB 4.05Å; F55-P671 HydrophobicContact CZ-CG 3.55Å; A634-P671 CarbonylContact C-O 3.59Å; A634-P671 VanDerWaalsContact CA-O 3.3Å; A634-P671 WeakPolarHBondContact CA-O 3.19Å; A634-P671 HydrophobicContact CB-CG 3.84Å; L635-P671 PolarHBondContact N-O 2.89Å; P671-L673 HydrophobicContact CB-CD1 4.04Å; P671-L673 HydrophobicContact CB-CG 4.17Å; P671-F701 HydrophobicContact CG-CE2 3.92Å; P671-F701 HydrophobicContact CG-CZ 4.48Å; P671-A705 HydrophobicContact CG-CB 4.46Å
672I98.5Very high94.4Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-125.7101.4174.5-50.9-65.2000108.4Y8 P633 L635 I655 L658 Q659Y8-I672 VanDerWaalsContact CE1-O 3.3Å; Y8-I672 WeakPolarHBondContact CE1-O 3.4Å; Y8-I672 PolarHBondContact OH-N 3.17Å; P633-I672 WeakPolarHBondContact O-CD1 3.44Å; L635-I672 HydrophobicContact CB-CD1 3.88Å; L635-I672 HydrophobicContact CB-CG2 4.38Å; L635-I672 HydrophobicContact CD2-CG2 4.39Å; I655-I672 HydrophobicContact CD1-CG2 3.59Å; L658-I672 HydrophobicContact CB-CG2 3.88Å; L658-I672 HydrophobicContact CD1-CG2 3.96Å; L658-I672 HydrophobicContact CG-CG2 4.49Å; Q659-I672 PolarHBondContact NE2-O 3.42Å; Q659-I672 VanDerWaalsContact NE2-O 3.15Å
673L98.7Very high94.1Very high0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-126.9159.8-165-63.6173.6000111.8I6 Y8 I51 T52 F55 L635 L636 I637 P671 F701I6-L673 HydrophobicContact CD1-CD2 4.47Å; Y8-L673 HydrophobicContact CE1-CD2 4.35Å; I51-L673 HydrophobicContact CD1-CD2 4Å; I51-L673 HydrophobicContact CG1-CD2 4.24Å; T52-L673 HydrophobicContact CG2-CB 4.34Å; F55-L673 HydrophobicContact CB-CD1 3.51Å; F55-L673 HydrophobicContact CD1-CD1 3.5Å; F55-L673 HydrophobicContact CD2-CD1 4.14Å; F55-L673 HydrophobicContact CE1-CD1 4.27Å; F55-L673 HydrophobicContact CG-CD1 3.43Å; F55-L673 VanDerWaalsContact CG-CD1 3.43Å; L635-L673 PolarHBondContact O-N 3.26Å; L636-L673 WeakPolarHBondContact CA-O 3.09Å; L636-L673 HydrophobicContact CD1-CB 4.13Å; I637-L673 PolarHBondContact N-O 2.76Å; P671-L673 HydrophobicContact CB-CD1 4.04Å; P671-L673 HydrophobicContact CB-CG 4.17Å; L673-F701 HydrophobicContact CD1-CD2 4.3Å; L673-F701 HydrophobicContact CD1-CE2 4.24Å
674I98.8Very high93.8Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-135138.4173.5-174.6173.8000110.6Q48 T52 I637 T639 F652 I655 I676Q48-I674 HydrophobicContact CB-CG2 3.56Å; Q48-I674 HydrophobicContact CG-CG2 3.91Å; T52-I674 VanDerWaalsContact CB-O 3.32Å; T52-I674 WeakPolarHBondContact CB-O 3.35Å; T52-I674 PolarHBondContact OG1-N 3.11Å; T52-I674 PolarHBondContact OG1-O 3.48Å; I637-I674 HydrophobicContact CB-CB 4.22Å; I637-I674 HydrophobicContact CB-CD1 4.47Å; I637-I674 HydrophobicContact CB-CG1 4.01Å; I637-I674 HydrophobicContact CG2-CD1 4.15Å; I637-I674 HydrophobicContact CG2-CG1 4.08Å; I637-I674 CarbonylContact O-C 3.49Å; I637-I674 WeakPolarHBondContact O-CA 3.32Å; T639-I674 HydrophobicContact CG2-CD1 4.25Å; F652-I674 HydrophobicContact CD1-CD1 3.99Å; F652-I674 HydrophobicContact CE1-CD1 4.38Å; I655-I674 HydrophobicContact CB-CB 4.32Å; I655-I674 HydrophobicContact CB-CD1 4.43Å; I655-I674 HydrophobicContact CB-CG2 4.37Å; I655-I674 HydrophobicContact CD1-CB 4.4Å; I655-I674 HydrophobicContact CG1-CB 3.96Å; I655-I674 HydrophobicContact CG1-CG2 3.83Å; I655-I674 HydrophobicContact CG2-CB 4.38Å; I655-I674 HydrophobicContact CG2-CD1 3.97Å; I655-I674 HydrophobicContact CG2-CG2 4.04Å; I674-I676 HydrophobicContact CB-CD1 4.33Å; I674-I676 HydrophobicContact CD1-CD1 4.05Å; I674-I676 HydrophobicContact CD1-CG1 4.11Å; I674-I676 HydrophobicContact CG1-CD1 3.83Å; I674-I676 HydrophobicContact CG1-CG1 4.16Å; I674-I676 HydrophobicContact CG2-CD1 3.71Å
675R98.5Very high93.9Very high26 Ų2640 Ų4010%0.09822%0.217CC..EExtended strand (participates in β ladder)trans-111.6117.5170.7-175-155.3-170.7-118.7-8.7108.7T52 L636 I637 L638 T639 E677 E694 D697T52-R675 HydrophobicContact CG2-CB 4.33Å; L636-R675 HydrophobicContact CD1-CB 4.42Å; I637-R675 PolarHBondContact O-N 3.39Å; L638-R675 WeakPolarHBondContact CA-O 2.97Å; L638-R675 HydrophobicContact CG-CB 4.35Å; T639-R675 PolarHBondContact N-O 3.01Å; R675-E677 IonicContact CZ-OE2 2.82Å; R675-E677 IonicContact NH1-OE2 3.8Å; R675-E677 PolarHBondContact NH1-OE2 2.83Å; R675-E677 IonicContact NH2-OE2 3.7Å; R675-E677 PolarHBondContact NH2-OE2 2.9Å; R675-E694 IonicContact NH1-OE2 2.72Å; R675-D697 IonicContact CZ-OD2 3.47Å; R675-D697 IonicContact NE-OD2 3.55Å; R675-D697 PolarHBondContact NE-OD2 3.09Å; R675-D697 IonicContact NH2-OD2 3.38Å; R675-D697 PolarHBondContact NH2-OD2 2.62Å
676I98.2Very high94.1Very high5 Ų539.7 Ų39.73%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-105.8104.5176.3-52.285.8000108.2V45 Q48 N49 T639 F652 I674V45-I676 HydrophobicContact CG1-CB 3.9Å; V45-I676 HydrophobicContact CG1-CD1 4.36Å; V45-I676 HydrophobicContact CG1-CG1 4.15Å; V45-I676 HydrophobicContact CG1-CG2 3.87Å; Q48-I676 HydrophobicContact CB-CD1 4Å; N49-I676 PolarHBondContact ND2-O 2.91Å; N49-I676 WeakPolarHBondContact OD1-CD1 3.24Å; N49-I676 PolarHBondContact OD1-N 2.74Å; T639-I676 HydrophobicContact CG2-CB 4.48Å; T639-I676 HydrophobicContact CG2-CG1 4.09Å; T639-I676 HydrophobicContact CG2-CG2 4.25Å; T639-I676 WeakPolarHBondContact O-CA 3.49Å; F652-I676 HydrophobicContact CD1-CG1 4.43Å; F652-I676 HydrophobicContact CE1-CG1 3.6Å; F652-I676 HydrophobicContact CE1-CG2 4.15Å; F652-I676 HydrophobicContact CZ-CG1 4.34Å; F652-I676 HydrophobicContact CZ-CG2 4.18Å; I674-I676 HydrophobicContact CB-CD1 4.33Å; I674-I676 HydrophobicContact CD1-CD1 4.05Å; I674-I676 HydrophobicContact CD1-CG1 4.11Å; I674-I676 HydrophobicContact CG1-CD1 3.83Å; I674-I676 HydrophobicContact CG1-CG1 4.16Å; I674-I676 HydrophobicContact CG2-CD1 3.71Å
677E96.4Very high94.5Very high25 Ų2534 Ų3412%0.11718%0.175CC..EExtended strand (participates in β ladder)trans-74.6136.4176-176.671.4-110.400110.3T639 A640 D641 R675 A680 K690T639-E677 PolarHBondContact O-N 2.84Å; A640-E677 VanDerWaalsContact CA-O 3.28Å; A640-E677 WeakPolarHBondContact CA-O 3.4Å; A640-E677 HydrophobicContact CB-CB 4.11Å; D641-E677 PolarHBondContact N-O 2.94Å; R675-E677 IonicContact CZ-OE2 2.82Å; R675-E677 IonicContact NH1-OE2 3.8Å; R675-E677 PolarHBondContact NH1-OE2 2.83Å; R675-E677 IonicContact NH2-OE2 3.7Å; R675-E677 PolarHBondContact NH2-OE2 2.9Å; E677-A680 HydrophobicContact CB-CB 4.37Å; E677-A680 HydrophobicContact CG-CB 3.66Å; E677-K690 HydrophobicContact CG-CD 4.39Å; E677-K690 IonicContact OE1-NZ 3.82Å; E677-K690 PolarHBondContact OE1-NZ 2.61Å
678Q92.2Very high94.7Very high121 Ų12130.8 Ų30.857%0.56517%0.165SC*.SBendtrans-90.6146.3175.2-67.7-177.1-15.400111.2D641 A680 K690D641-Q678 WeakPolarHBondContact OD1-CA 3.2Å; D641-Q678 WeakPolarHBondContact OD2-CA 3.44Å; Q678-A680 VanDerWaalsContact C-N 3.29Å; Q678-A680 PolarHBondContact O-N 2.88Å; Q678-K690 PolarHBondContact O-NZ 3.06Å
679K89.9Confident94.7Very high101 Ų10132.2 Ų32.244%0.43918%0.177SC..SBendtrans5444.9178.8-50.6-175-174.9179.70112.3E124 L126 G148 D641E124-K679 IonicContact OE2-NZ 3.98Å; E124-K679 PolarHBondContact OE2-NZ 2.78Å; L126-K679 HydrophobicContact CD1-CB 4.03Å; L126-K679 HydrophobicContact CD1-CD 3.45Å; L126-K679 VanDerWaalsContact CD1-CD 3.45Å; L126-K679 HydrophobicContact CD1-CG 4.43Å; L126-K679 HydrophobicContact CD2-CB 4.38Å; G148-K679 CarbonylContact O-C 3.58Å; D641-K679 PolarHBondContact OD1-N 3.17Å; D641-K679 PolarHBondContact OD2-N 3.27Å
680A92.4Very high94.7Very high2 Ų230 Ų302%0.01716%0.16CC..  trans-143.3159.5171.800000109G148 A640 H642 E677 Q678 K690G148-A680 CarbonylContact O-C 3.59Å; G148-A680 WeakPolarHBondContact O-CA 3.32Å; G148-A680 PolarHBondContact O-N 2.88Å; A640-A680 HydrophobicContact CB-CB 3.81Å; A640-A680 WeakPolarHBondContact CB-O 3.45Å; H642-A680 CarbonylContact C-O 3.49Å; H642-A680 WeakPolarHBondContact CA-O 3.41Å; H642-A680 WeakPolarHBondContact CB-O 3.37Å; H642-A680 PolarHBondContact N-O 2.95Å; E677-A680 HydrophobicContact CB-CB 4.37Å; E677-A680 HydrophobicContact CG-CB 3.66Å; Q678-A680 VanDerWaalsContact C-N 3.29Å; Q678-A680 PolarHBondContact O-N 2.88Å; A680-K690 HydrophobicContact CB-CD 4.44Å
681G93.2Very high94.7Very high3 Ų330.6 Ų30.63%0.03117%0.166CC..  trans-121.2-145.8175.600000112.6G148 G149 H642 G683G148-G681 PolarHBondContact O-N 3.3Å; G149-G681 WeakPolarHBondContact O-CA 3.44Å; H642-G681 WeakPolarHBondContact O-CA 3.31Å; G681-G683 VanDerWaalsContact C-N 3.25Å; G681-G683 PolarHBondContact O-N 3.23Å; G681-G683 VanDerWaalsContact O-N 3.16Å
682H95.5Very high94.7Very high36 Ų3630.8 Ų30.817%0.16717%0.166CC..SBendtrans-59-32.4-170.4-156.558.1000114.6S556 V580 D643 R645 V646S556-H682 VanDerWaalsContact CB-NE2 3.32Å; S556-H682 WeakPolarHBondContact CB-NE2 3.4Å; S556-H682 PolarHBondContact OG-CE1 2.73Å; S556-H682 PolarHBondContact OG-NE2 2.99Å; S556-H682 VanDerWaalsContact OG-NE2 3.07Å; V580-H682 WeakPolarHBondContact CG2-CE1 3.07Å; D643-H682 WeakPolarHBondContact OD1-CB 3.47Å; D643-H682 IonicContact OD1-CG 2.77Å; D643-H682 IonicContact OD1-ND1 2.96Å; D643-H682 PolarHBondContact OD1-ND1 3.34Å; D643-H682 VanDerWaalsContact OD1-ND1 3.11Å; D643-H682 WeakPolarHBondContact OD2-CA 3.49Å; D643-H682 IonicContact OD2-CE1 3.82Å; D643-H682 IonicContact OD2-CG 2.7Å; D643-H682 IonicContact OD2-ND1 2.84Å; D643-H682 PolarHBondContact OD2-ND1 3.44Å; R645-H682 HydrophobicContact CB-CB 3.77Å; R645-H682 HydrophobicContact CG-CB 4.49Å; V646-H682 WeakPolarHBondContact CG2-CE1 3.23Å
683G89.6Confident94.6Very high36 Ų3633.8 Ų33.837%0.37118%0.182SC..SBendtrans152.2-31.5174.700000114.3G681 G685 K686G681-G683 VanDerWaalsContact C-N 3.25Å; G681-G683 PolarHBondContact O-N 3.23Å; G681-G683 VanDerWaalsContact O-N 3.16Å; G683-G685 PolarHBondContact O-N 3.44Å; G683-K686 VanDerWaalsContact O-CB 3.31Å; G683-K686 WeakPolarHBondContact O-CB 3.45Å; G683-K686 PolarHBondContact O-N 2.92Å
684Q86.4Confident94.6Very high100 Ų10034.8 Ų34.847%0.46719%0.187SC..THydrogen-bonded Turntrans-63.8134175.9-173.4170.83.400110.1R130 K686R130-Q684 VanDerWaalsContact NE-CD 3.29Å; R130-Q684 VanDerWaalsContact NH2-OE1 3.15Å; Q684-K686 PolarHBondContact O-N 3.32Å
685G88.1Confident94.5Very high18 Ų1836 Ų3619%0.18619%0.194CC..THydrogen-bonded Turntrans74.22.7-179.700000115.3Q99 S128 G683Q99-G685 PolarHBondContact NE2-O 2.85Å; S128-G685 WeakPolarHBondContact OG-CA 3.2Å; G683-G685 PolarHBondContact O-N 3.44Å
686K93.7Very high94.5Very high31 Ų3134.7 Ų34.714%0.13519%0.189CC..  trans-60.7127.1175.3-175.3179.6-66.9173.90109.7G683 Q684 K690 E694G683-K686 VanDerWaalsContact O-CB 3.31Å; G683-K686 WeakPolarHBondContact O-CB 3.45Å; G683-K686 PolarHBondContact O-N 2.92Å; Q684-K686 PolarHBondContact O-N 3.32Å; K686-K690 HydrophobicContact CD-CB 4.33Å; K686-K690 HydrophobicContact CG-CB 3.93Å; K686-E694 IonicContact NZ-OE1 3.52Å; K686-E694 IonicContact NZ-OE2 3.11Å; K686-E694 PolarHBondContact NZ-OE2 3.14Å
687P96.1Very high94.5Very high4 Ų435.9 Ų35.93%0.02620%0.196CC..  trans-61.8149.5-178.219.5-29.4000112.3N98 G125 L126 S689 K690 S691N98-P687 HydrophobicContact CB-CB 3.72Å; N98-P687 WeakPolarHBondContact O-CA 3.43Å; N98-P687 WeakPolarHBondContact OD1-CB 3.3Å; G125-P687 WeakPolarHBondContact O-CB 3.46Å; L126-P687 HydrophobicContact CD2-CG 4.2Å; P687-S689 PolarHBondContact O-N 2.96Å; P687-K690 HydrophobicContact CG-CB 3.99Å; P687-K690 HydrophobicContact CG-CD 3.8Å; P687-K690 HydrophobicContact CG-CG 3.9Å; P687-K690 PolarHBondContact O-N 2.86Å; P687-K690 VanDerWaalsContact O-N 3.11Å; P687-S691 PolarHBondContact O-N 2.54Å; P687-S691 PolarHBondContact O-OG 2.85Å
688T96.7Very high94.7Very high15 Ų1534.9 Ų34.99%0.09219%0.191CC..Hα-helixtrans-51.1-42.6176.9-61.80000112.5L96 Q97 N98 K690 S691 I692L96-T688 HydrophobicContact CD2-CG2 4.5Å; Q97-T688 VanDerWaalsContact O-CB 3.31Å; Q97-T688 WeakPolarHBondContact O-CB 3.44Å; Q97-T688 PolarHBondContact O-OG1 3.34Å; N98-T688 PolarHBondContact O-N 3.12Å; N98-T688 PolarHBondContact O-OG1 3.2Å; T688-K690 PolarHBondContact O-N 2.63Å; T688-S691 WeakPolarHBondContact O-CB 3.18Å; T688-S691 PolarHBondContact O-N 2.89Å; T688-I692 HydrophobicContact CG2-CD1 3.89Å; T688-I692 HydrophobicContact CG2-CG1 4.36Å; T688-I692 WeakPolarHBondContact O-CG1 3.45Å; T688-I692 PolarHBondContact O-N 2.76Å
689S95.8Very high95Very high50 Ų5029.4 Ų29.435%0.3517%0.165SC..Hα-helixtrans-58.9-46.1177.855.20000113.4N98 P687 I692 N693N98-S689 VanDerWaalsContact OD1-CB 3.27Å; N98-S689 WeakPolarHBondContact OD1-CB 3.37Å; N98-S689 PolarHBondContact OD1-N 3.11Å; N98-S689 VanDerWaalsContact OD1-N 3.17Å; N98-S689 PolarHBondContact OD1-OG 3.41Å; P687-S689 PolarHBondContact O-N 2.96Å; S689-I692 PolarHBondContact O-N 2.91Å; S689-N693 PolarHBondContact O-N 2.8Å; S689-N693 PolarHBondContact O-ND2 2.66Å
690K95.9Very high95.4Very high32 Ų3224.6 Ų24.614%0.13914%0.144CC..Hα-helixtrans-67.7-36.3175.3-74.9-177.2175.8-86.50112L126 E677 Q678 A680 K686 P687 T688 N693 E694L126-K690 HydrophobicContact CD2-CD 4.2Å; E677-K690 HydrophobicContact CG-CD 4.39Å; E677-K690 IonicContact OE1-NZ 3.82Å; E677-K690 PolarHBondContact OE1-NZ 2.61Å; Q678-K690 PolarHBondContact O-NZ 3.06Å; A680-K690 HydrophobicContact CB-CD 4.44Å; K686-K690 HydrophobicContact CD-CB 4.33Å; K686-K690 HydrophobicContact CG-CB 3.93Å; P687-K690 HydrophobicContact CG-CB 3.99Å; P687-K690 HydrophobicContact CG-CD 3.8Å; P687-K690 HydrophobicContact CG-CG 3.9Å; P687-K690 PolarHBondContact O-N 2.86Å; P687-K690 VanDerWaalsContact O-N 3.11Å; T688-K690 PolarHBondContact O-N 2.63Å; K690-N693 PolarHBondContact O-N 2.95Å; K690-E694 WeakPolarHBondContact O-CB 3.42Å; K690-E694 PolarHBondContact O-N 2.76Å
691S96.4Very high95.7Very high28 Ų2824.5 Ų24.520%0.19614%0.143CC..Hα-helixtrans-63.5-42.1175.6-600000111.9P687 T688 E694 V695P687-S691 PolarHBondContact O-N 2.54Å; P687-S691 PolarHBondContact O-OG 2.85Å; T688-S691 WeakPolarHBondContact O-CB 3.18Å; T688-S691 PolarHBondContact O-N 2.89Å; S691-E694 PolarHBondContact O-N 2.91Å; S691-V695 WeakPolarHBondContact O-CG2 3.35Å; S691-V695 PolarHBondContact O-N 3.27Å; S691-V695 VanDerWaalsContact O-N 3.15Å
692I97.3Very high95.9Very high14 Ų1424.3 Ų24.37%0.07214%0.142CC..Hα-helixtrans-61.4-48.9173.2-70.7170.1000110L69 T70 W73 L96 T688 S689 E694 V695 V696L69-I692 HydrophobicContact CD2-CG2 4.18Å; T70-I692 HydrophobicContact CG2-CD1 4.34Å; W73-I692 HydrophobicContact CB-CD1 4.44Å; W73-I692 HydrophobicContact CD2-CD1 4.45Å; W73-I692 HydrophobicContact CD2-CG1 3.92Å; W73-I692 HydrophobicContact CE3-CG1 3.77Å; W73-I692 HydrophobicContact CG-CD1 4.35Å; W73-I692 HydrophobicContact CG-CG1 4.34Å; W73-I692 HydrophobicContact CZ3-CG1 4.19Å; L96-I692 HydrophobicContact CD2-CD1 4.03Å; T688-I692 HydrophobicContact CG2-CD1 3.89Å; T688-I692 HydrophobicContact CG2-CG1 4.36Å; T688-I692 WeakPolarHBondContact O-CG1 3.45Å; T688-I692 PolarHBondContact O-N 2.76Å; S689-I692 PolarHBondContact O-N 2.91Å; I692-E694 VanDerWaalsContact C-N 3.33Å; I692-E694 PolarHBondContact O-N 3.48Å; I692-V695 PolarHBondContact O-N 3.4Å; I692-V696 HydrophobicContact CG2-CG2 4.25Å; I692-V696 VanDerWaalsContact O-CG2 3.27Å; I692-V696 WeakPolarHBondContact O-CG2 3.35Å; I692-V696 PolarHBondContact O-N 3.07Å
693N96.9Very high96Very high63 Ų6323.3 Ų23.334%0.33714%0.137SC..Hα-helixtrans-58.6-43.3179.1-72.3-22.3000112.5S689 K690 V695 V696 D697S689-N693 PolarHBondContact O-N 2.8Å; S689-N693 PolarHBondContact O-ND2 2.66Å; K690-N693 PolarHBondContact O-N 2.95Å; N693-V695 PolarHBondContact O-N 3.37Å; N693-V696 PolarHBondContact O-N 2.87Å; N693-D697 PolarHBondContact O-N 3.32Å
694E98.1Very high96.4Very high20 Ų2022.6 Ų22.69%0.09313%0.126CC..Hα-helixtrans-59.8-45.1177.3-173.5170.8117.600112Q579 L638 R675 K686 K690 S691 I692 D697 I698Q579-E694 PolarHBondContact NE2-OE1 2.85Å; L638-E694 HydrophobicContact CD2-CG 3.5Å; R675-E694 IonicContact NH1-OE2 2.72Å; K686-E694 IonicContact NZ-OE1 3.52Å; K686-E694 IonicContact NZ-OE2 3.11Å; K686-E694 PolarHBondContact NZ-OE2 3.14Å; K690-E694 WeakPolarHBondContact O-CB 3.42Å; K690-E694 PolarHBondContact O-N 2.76Å; S691-E694 PolarHBondContact O-N 2.91Å; I692-E694 VanDerWaalsContact C-N 3.33Å; I692-E694 PolarHBondContact O-N 3.48Å; E694-D697 PolarHBondContact O-N 2.77Å; E694-I698 HydrophobicContact CG-CD1 4.24Å; E694-I698 WeakPolarHBondContact O-CG1 3.45Å; E694-I698 PolarHBondContact O-N 2.75Å
695V98.1Very high96.9Very high25 Ų2518.3 Ų18.315%0.15211%0.108CC..Hα-helixtrans-70.9-34.6179.5176.90000111.6L69 W73 S691 I692 N693 I698 Y699L69-V695 HydrophobicContact CD1-CG1 3.8Å; L69-V695 HydrophobicContact CD2-CB 3.7Å; L69-V695 HydrophobicContact CD2-CG1 3.54Å; L69-V695 HydrophobicContact CG-CG1 4.34Å; W73-V695 HydrophobicContact CH2-CG2 4.37Å; W73-V695 HydrophobicContact CZ3-CG2 4.2Å; S691-V695 WeakPolarHBondContact O-CG2 3.35Å; S691-V695 PolarHBondContact O-N 3.27Å; S691-V695 VanDerWaalsContact O-N 3.15Å; I692-V695 PolarHBondContact O-N 3.4Å; N693-V695 PolarHBondContact O-N 3.37Å; V695-I698 PolarHBondContact O-N 3.07Å; V695-Y699 HydrophobicContact CG1-CD2 3.63Å; V695-Y699 HydrophobicContact CG1-CE2 3.5Å; V695-Y699 VanDerWaalsContact O-CD2 3.29Å; V695-Y699 WeakPolarHBondContact O-CD2 3.1Å; V695-Y699 PolarHBondContact O-N 3.44Å
696V98.5Very high97.4Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-58.9-48.8170.5170.90000110.1T62 I65 R66 L69 I692 N693 I698 Y699 S700T62-V696 HydrophobicContact CG2-CG1 4.05Å; I65-V696 HydrophobicContact CG2-CB 4.33Å; I65-V696 HydrophobicContact CG2-CG1 4.24Å; I65-V696 HydrophobicContact CG2-CG2 4.15Å; R66-V696 HydrophobicContact CB-CG2 3.82Å; R66-V696 HydrophobicContact CG-CG2 4.23Å; L69-V696 HydrophobicContact CD2-CG2 3.97Å; I692-V696 HydrophobicContact CG2-CG2 4.25Å; I692-V696 VanDerWaalsContact O-CG2 3.27Å; I692-V696 WeakPolarHBondContact O-CG2 3.35Å; I692-V696 PolarHBondContact O-N 3.07Å; N693-V696 PolarHBondContact O-N 2.87Å; V696-I698 PolarHBondContact O-N 3.48Å; V696-Y699 PolarHBondContact O-N 2.9Å; V696-S700 WeakPolarHBondContact O-CB 2.93Å; V696-S700 PolarHBondContact O-N 3.33Å; V696-S700 PolarHBondContact O-OG 3.3Å
697D98.4Very high97.5Very high30 Ų3020 Ų2016%0.1612%0.119CC..Hα-helixtrans-64.3-40.9-179.4-71.7-13.9000111.7L56 R675 N693 E694 Y699 S700 F701L56-D697 HydrophobicContact CD1-CB 3.8Å; L56-D697 HydrophobicContact CD2-CB 4.46Å; L56-D697 VanDerWaalsContact CD2-O 3.24Å; L56-D697 WeakPolarHBondContact CD2-O 3.41Å; R675-D697 IonicContact CZ-OD2 3.47Å; R675-D697 IonicContact NE-OD2 3.55Å; R675-D697 PolarHBondContact NE-OD2 3.09Å; R675-D697 IonicContact NH2-OD2 3.38Å; R675-D697 PolarHBondContact NH2-OD2 2.62Å; N693-D697 PolarHBondContact O-N 3.32Å; E694-D697 PolarHBondContact O-N 2.77Å; D697-Y699 PolarHBondContact O-N 2.99Å; D697-S700 PolarHBondContact O-N 2.9Å; D697-F701 VanDerWaalsContact O-CB 3.3Å; D697-F701 WeakPolarHBondContact O-CB 3.32Å; D697-F701 PolarHBondContact O-N 2.77Å
698I98.7Very high97.6Very high4 Ų420.3 Ų20.32%0.02112%0.12CC..Hα-helixtrans-57.3-48.9173.4-72.4167.7000110.6V577 L636 L638 E694 V695 V696 F701 L702V577-I698 HydrophobicContact CG1-CD1 4.07Å; V577-I698 HydrophobicContact CG1-CG1 4.01Å; V577-I698 HydrophobicContact CG1-CG2 4.38Å; V577-I698 HydrophobicContact CG2-CG2 4.23Å; L636-I698 HydrophobicContact CD2-CG1 4.33Å; L638-I698 HydrophobicContact CD1-CD1 4.4Å; L638-I698 HydrophobicContact CD1-CG1 4.16Å; L638-I698 HydrophobicContact CD2-CD1 4.13Å; L638-I698 HydrophobicContact CD2-CG1 3.92Å; E694-I698 HydrophobicContact CG-CD1 4.24Å; E694-I698 WeakPolarHBondContact O-CG1 3.45Å; E694-I698 PolarHBondContact O-N 2.75Å; V695-I698 PolarHBondContact O-N 3.07Å; V696-I698 PolarHBondContact O-N 3.48Å; I698-F701 WeakPolarHBondContact O-CB 3.33Å; I698-F701 PolarHBondContact O-N 2.58Å; I698-L702 HydrophobicContact CG2-CD1 3.76Å; I698-L702 HydrophobicContact CG2-CG 4.4Å; I698-L702 WeakPolarHBondContact O-CB 3.14Å; I698-L702 VanDerWaalsContact O-CG 3.26Å; I698-L702 WeakPolarHBondContact O-CG 3.48Å; I698-L702 PolarHBondContact O-N 2.86Å
699Y98.6Very high97.5Very high5 Ų524.6 Ų24.62%0.0215%0.146CC..Hα-helixtrans-75-31.1-178.1-76.4-52.8000113.8G489 F492 F493 F497 V695 V696 D697 F701 L702 Q703G489-Y699 VanDerWaalsContact C-OH 3.22Å; G489-Y699 WeakPolarHBondContact O-CE2 3.41Å; G489-Y699 PolarHBondContact O-OH 2.62Å; F492-Y699 HydrophobicContact CD1-CD1 4.47Å; F492-Y699 AromaticContact CD1-CD2 3.45Å; F492-Y699 HydrophobicContact CD1-CD2 3.45Å; F492-Y699 VanDerWaalsContact CD1-CD2 3.45Å; F492-Y699 AromaticContact CD1-CE2 3.51Å; F492-Y699 HydrophobicContact CD1-CE2 3.51Å; F492-Y699 AromaticContact CD1-CG 3.98Å; F492-Y699 HydrophobicContact CD1-CG 3.98Å; F492-Y699 HydrophobicContact CE1-CD1 4.37Å; F492-Y699 AromaticContact CE1-CD2 3.6Å; F492-Y699 HydrophobicContact CE1-CD2 3.6Å; F492-Y699 HydrophobicContact CE1-CE2 4.14Å; F492-Y699 AromaticContact CE1-CG 3.75Å; F492-Y699 HydrophobicContact CE1-CG 3.75Å; F492-Y699 HydrophobicContact CG-CE2 4.4Å; F493-Y699 HydrophobicContact CB-CE1 3.81Å; F493-Y699 WeakPolarHBondContact CB-OH 3.47Å; F493-Y699 HydrophobicContact CD2-CD1 4.47Å; F493-Y699 AromaticContact CD2-CE1 3.82Å; F493-Y699 HydrophobicContact CD2-CE1 3.82Å; F493-Y699 HydrophobicContact CG-CE1 4.13Å; F497-Y699 HydrophobicContact CD2-CD1 4.2Å; F497-Y699 AromaticContact CE2-CD1 3.95Å; F497-Y699 HydrophobicContact CE2-CD1 3.95Å; F497-Y699 HydrophobicContact CE2-CG 4.18Å; V695-Y699 HydrophobicContact CG1-CD2 3.63Å; V695-Y699 HydrophobicContact CG1-CE2 3.5Å; V695-Y699 VanDerWaalsContact O-CD2 3.29Å; V695-Y699 WeakPolarHBondContact O-CD2 3.1Å; V695-Y699 PolarHBondContact O-N 3.44Å; V696-Y699 PolarHBondContact O-N 2.9Å; D697-Y699 PolarHBondContact O-N 2.99Å; Y699-F701 VanDerWaalsContact C-N 3.33Å; Y699-L702 HydrophobicContact CD1-CD1 3.96Å; Y699-L702 HydrophobicContact CE1-CD1 4.05Å; Y699-L702 PolarHBondContact O-N 2.74Å; Y699-Q703 WeakPolarHBondContact O-CB 3.2Å; Y699-Q703 PolarHBondContact O-N 2.78Å
700S98.5Very high97.5Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-64.3-40.4170.5-72.60000111.3T62 V696 D697 T704T62-S700 PolarHBondContact OG1-OG 3.02Å; V696-S700 WeakPolarHBondContact O-CB 2.93Å; V696-S700 PolarHBondContact O-N 3.33Å; V696-S700 PolarHBondContact O-OG 3.3Å; D697-S700 PolarHBondContact O-N 2.9Å; S700-T704 WeakPolarHBondContact O-CB 3.39Å; S700-T704 PolarHBondContact O-N 3.36Å; S700-T704 VanDerWaalsContact O-N 3.16Å; S700-T704 PolarHBondContact O-OG1 3.08Å
701F98.7Very high97.4Very high0 Ų027.1 Ų27.10%015%0.15CC..Hα-helixtrans-61.7-55.2172.4171.3-101.5000111.7F55 L56 A575 A634 L636 P671 L673 D697 I698 Y699 Q703 T704 A705F55-F701 HydrophobicContact CD1-CD2 4.01Å; F55-F701 AromaticContact CE1-CD2 3.67Å; F55-F701 HydrophobicContact CE1-CD2 3.67Å; F55-F701 HydrophobicContact CE1-CE2 4.11Å; L56-F701 HydrophobicContact CD2-CB 3.7Å; A575-F701 HydrophobicContact CB-CE1 4.47Å; A634-F701 HydrophobicContact CB-CE1 4.44Å; A634-F701 HydrophobicContact CB-CE2 4.46Å; A634-F701 HydrophobicContact CB-CZ 3.75Å; L636-F701 HydrophobicContact CB-CD1 3.66Å; L636-F701 HydrophobicContact CB-CD2 4.06Å; L636-F701 HydrophobicContact CB-CE1 3.64Å; L636-F701 HydrophobicContact CB-CE2 4.03Å; L636-F701 HydrophobicContact CB-CG 3.88Å; L636-F701 HydrophobicContact CB-CZ 3.82Å; L636-F701 HydrophobicContact CD2-CB 3.84Å; L636-F701 HydrophobicContact CD2-CD1 4.13Å; L636-F701 HydrophobicContact CD2-CG 3.92Å; L636-F701 HydrophobicContact CG-CG 4.4Å; P671-F701 HydrophobicContact CG-CE2 3.92Å; P671-F701 HydrophobicContact CG-CZ 4.48Å; L673-F701 HydrophobicContact CD1-CD2 4.3Å; L673-F701 HydrophobicContact CD1-CE2 4.24Å; D697-F701 VanDerWaalsContact O-CB 3.3Å; D697-F701 WeakPolarHBondContact O-CB 3.32Å; D697-F701 PolarHBondContact O-N 2.77Å; I698-F701 WeakPolarHBondContact O-CB 3.33Å; I698-F701 PolarHBondContact O-N 2.58Å; Y699-F701 VanDerWaalsContact C-N 3.33Å; F701-Q703 VanDerWaalsContact C-N 3.32Å; F701-Q703 PolarHBondContact O-N 2.9Å; F701-T704 PolarHBondContact O-N 2.85Å; F701-A705 HydrophobicContact CE1-CB 4.42Å; F701-A705 HydrophobicContact CE2-CB 4.38Å; F701-A705 HydrophobicContact CZ-CB 4.23Å; F701-A705 VanDerWaalsContact O-CB 3.24Å; F701-A705 WeakPolarHBondContact O-CB 3.39Å; F701-A705 PolarHBondContact O-N 2.63Å
702L98.5Very high97.1Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-61.4-41.3-177.5-70.3170.3000111.6Y551 A575 V577 I698 Y699 T704 A705 M706 L708Y551-L702 HydrophobicContact CD1-CD1 4.35Å; Y551-L702 HydrophobicContact CD1-CD2 4.15Å; Y551-L702 HydrophobicContact CD2-CD1 4.05Å; Y551-L702 HydrophobicContact CD2-CD2 3.77Å; Y551-L702 HydrophobicContact CE1-CD1 3.96Å; Y551-L702 HydrophobicContact CE2-CD1 3.62Å; Y551-L702 HydrophobicContact CE2-CD2 4.22Å; Y551-L702 HydrophobicContact CG-CD1 4.38Å; Y551-L702 HydrophobicContact CG-CD2 3.71Å; A575-L702 HydrophobicContact CB-CD2 3.86Å; V577-L702 HydrophobicContact CG2-CD2 4.12Å; V577-L702 HydrophobicContact CG2-CG 4.42Å; I698-L702 HydrophobicContact CG2-CD1 3.76Å; I698-L702 HydrophobicContact CG2-CG 4.4Å; I698-L702 WeakPolarHBondContact O-CB 3.14Å; I698-L702 VanDerWaalsContact O-CG 3.26Å; I698-L702 WeakPolarHBondContact O-CG 3.48Å; I698-L702 PolarHBondContact O-N 2.86Å; Y699-L702 HydrophobicContact CD1-CD1 3.96Å; Y699-L702 HydrophobicContact CE1-CD1 4.05Å; Y699-L702 PolarHBondContact O-N 2.74Å; L702-T704 VanDerWaalsContact C-N 3.34Å; L702-T704 PolarHBondContact O-N 3.32Å; L702-A705 PolarHBondContact O-N 2.98Å; L702-M706 HydrophobicContact CB-SD 4.47Å; L702-M706 HydrophobicContact CD2-SD 3.8Å; L702-M706 VanDerWaalsContact O-CB 3.27Å; L702-M706 WeakPolarHBondContact O-CB 3.3Å; L702-M706 PolarHBondContact O-N 2.84Å; L702-L708 HydrophobicContact CB-CD1 4.01Å
703Q98.1Very high97.1Very high15 Ų1533.6 Ų33.67%0.0718%0.178CC..Hα-helixtrans-58.4-48.1176.3-172.3-74.5-41.600111C59 Y61 F497 Y699 F701 S707 L708C59-Q703 PolarHBondContact SG-OE1 2.83Å; Y61-Q703 HydrophobicContact CD2-CG 3.92Å; Y61-Q703 HydrophobicContact CE2-CG 4.44Å; F497-Q703 HydrophobicContact CE1-CB 4.19Å; F497-Q703 HydrophobicContact CE1-CG 3.86Å; F497-Q703 HydrophobicContact CZ-CB 3.93Å; F497-Q703 HydrophobicContact CZ-CG 4.02Å; Y699-Q703 WeakPolarHBondContact O-CB 3.2Å; Y699-Q703 PolarHBondContact O-N 2.78Å; F701-Q703 VanDerWaalsContact C-N 3.32Å; F701-Q703 PolarHBondContact O-N 2.9Å; Q703-S707 CarbonylContact O-C 3.52Å; Q703-S707 WeakPolarHBondContact O-CA 3.39Å; Q703-S707 PolarHBondContact O-N 2.78Å; Q703-L708 HydrophobicContact CB-CB 4.49Å; Q703-L708 HydrophobicContact CG-CB 4.38Å; Q703-L708 PolarHBondContact NE2-O 3.35Å; Q703-L708 PolarHBondContact O-N 3.39Å; Q703-L708 VanDerWaalsContact O-N 3.15Å
704T97.4Very high97.1Very high20 Ų2032.1 Ų32.112%0.12317%0.17CC..Hα-helixtrans-68.4-47.4-179.3-52.40000111.1F55 K58 S700 F701 L702F55-T704 HydrophobicContact CE1-CG2 3.77Å; F55-T704 HydrophobicContact CE2-CG2 4Å; F55-T704 HydrophobicContact CZ-CG2 3.43Å; F55-T704 VanDerWaalsContact CZ-CG2 3.43Å; K58-T704 HydrophobicContact CB-CG2 4.08Å; S700-T704 WeakPolarHBondContact O-CB 3.39Å; S700-T704 PolarHBondContact O-N 3.36Å; S700-T704 VanDerWaalsContact O-N 3.16Å; S700-T704 PolarHBondContact O-OG1 3.08Å; F701-T704 PolarHBondContact O-N 2.85Å; L702-T704 VanDerWaalsContact C-N 3.34Å; L702-T704 PolarHBondContact O-N 3.32Å
705A97.6Very high97Very high11 Ų1132.7 Ų32.79%0.09117%0.174CC..Hα-helixtrans-70.6-35.4-174.600000113.9K574 A634 P671 F701 L702K574-A705 WeakPolarHBondContact CE-O 3.26Å; A634-A705 HydrophobicContact CB-CB 3.54Å; P671-A705 HydrophobicContact CG-CB 4.46Å; F701-A705 HydrophobicContact CE1-CB 4.42Å; F701-A705 HydrophobicContact CE2-CB 4.38Å; F701-A705 HydrophobicContact CZ-CB 4.23Å; F701-A705 VanDerWaalsContact O-CB 3.24Å; F701-A705 WeakPolarHBondContact O-CB 3.39Å; F701-A705 PolarHBondContact O-N 2.63Å; L702-A705 PolarHBondContact O-N 2.98Å
706M97.4Very high96.9Very high18 Ų1833.2 Ų33.29%0.08918%0.176CC..Hα-helixtrans-105.8-1-177.4-54.7175.166.800112.9K549 Y551 K574 A575 L702 L708K549-M706 WeakPolarHBondContact O-CE 3.35Å; Y551-M706 HydrophobicContact CD1-CE 4.24Å; Y551-M706 HydrophobicContact CD1-SD 3.99Å; Y551-M706 HydrophobicContact CG-SD 4.23Å; K574-M706 HydrophobicContact CB-CE 4.32Å; K574-M706 HydrophobicContact CB-CG 4.45Å; K574-M706 HydrophobicContact CG-CB 4.38Å; K574-M706 HydrophobicContact CG-CG 3.85Å; A575-M706 HydrophobicContact CB-CG 3.78Å; A575-M706 HydrophobicContact CB-SD 3.78Å; L702-M706 HydrophobicContact CB-SD 4.47Å; L702-M706 HydrophobicContact CD2-SD 3.8Å; L702-M706 VanDerWaalsContact O-CB 3.27Å; L702-M706 WeakPolarHBondContact O-CB 3.3Å; L702-M706 PolarHBondContact O-N 2.84Å; M706-L708 VanDerWaalsContact C-N 3.27Å; M706-L708 HydrophobicContact CB-CD2 3.84Å; M706-L708 HydrophobicContact CB-CG 4.03Å; M706-L708 HydrophobicContact CE-CD2 4.32Å; M706-L708 PolarHBondContact O-N 3.02Å; M706-L708 HydrophobicContact SD-CD2 4.38Å
707S96.2Very high96.8Very high67 Ų6735.3 Ų35.347%0.46919%0.186SC..THydrogen-bonded Turntrans53.843.1-173.9-55.50000112.5M1 Q703 T709M1-S707 WeakPolarHBondContact CE-OG 3.27Å; Q703-S707 CarbonylContact O-C 3.52Å; Q703-S707 WeakPolarHBondContact O-CA 3.39Å; Q703-S707 PolarHBondContact O-N 2.78Å; S707-T709 PolarHBondContact O-N 2.94Å
708L97.1Very high96.7Very high9 Ų935.6 Ų35.65%0.04719%0.188CC..PPolyproline II helixtrans-60.3136.6-179.6-57.5178.9000110.3P469 F493 F497 L702 Q703 M706P469-L708 HydrophobicContact CB-CD2 3.75Å; P469-L708 HydrophobicContact CG-CD2 3.88Å; F493-L708 HydrophobicContact CE2-CD1 4.12Å; F497-L708 HydrophobicContact CB-CD1 4.37Å; F497-L708 HydrophobicContact CD1-CB 3.47Å; F497-L708 VanDerWaalsContact CD1-CB 3.47Å; F497-L708 HydrophobicContact CD1-CD1 4.1Å; F497-L708 HydrophobicContact CD1-CG 4.42Å; F497-L708 HydrophobicContact CD2-CD1 4.08Å; F497-L708 HydrophobicContact CE1-CB 3.75Å; F497-L708 HydrophobicContact CE1-CD1 4.4Å; F497-L708 HydrophobicContact CE2-CD1 4.34Å; F497-L708 HydrophobicContact CG-CB 4.1Å; F497-L708 HydrophobicContact CG-CD1 3.93Å; L702-L708 HydrophobicContact CB-CD1 4.01Å; Q703-L708 HydrophobicContact CB-CB 4.49Å; Q703-L708 HydrophobicContact CG-CB 4.38Å; Q703-L708 PolarHBondContact NE2-O 3.35Å; Q703-L708 PolarHBondContact O-N 3.39Å; Q703-L708 VanDerWaalsContact O-N 3.15Å; M706-L708 VanDerWaalsContact C-N 3.27Å; M706-L708 HydrophobicContact CB-CD2 3.84Å; M706-L708 HydrophobicContact CB-CG 4.03Å; M706-L708 HydrophobicContact CE-CD2 4.32Å; M706-L708 PolarHBondContact O-N 3.02Å; M706-L708 HydrophobicContact SD-CD2 4.38Å
709T95.7Very high96.6Very high105 Ų10537.9 Ų37.964%0.64420%0.2SC*.PPolyproline II helixtrans-86.8122.6177.9-55.30000109.6S707S707-T709 PolarHBondContact O-N 2.94Å
710W96.3Very high96.5Very high24 Ų2440.4 Ų40.49%0.09121%0.214CC..PPolyproline II helixtrans-64.8137.5174.2-176.6-96.3000111.4Y61 K64 I65 K68 F492 H496 F497 E712Y61-W710 HydrophobicContact CD1-CB 4.06Å; Y61-W710 HydrophobicContact CD1-CD2 4.16Å; Y61-W710 HydrophobicContact CD1-CE3 4.42Å; Y61-W710 AromaticContact CD1-CG 4Å; Y61-W710 HydrophobicContact CD1-CG 4Å; Y61-W710 HydrophobicContact CD2-CB 4.21Å; Y61-W710 HydrophobicContact CE1-CB 3.72Å; Y61-W710 AromaticContact CE1-CG 3.97Å; Y61-W710 HydrophobicContact CE1-CG 3.97Å; Y61-W710 HydrophobicContact CE2-CB 3.87Å; Y61-W710 HydrophobicContact CG-CB 4.29Å; Y61-W710 HydrophobicContact CG-CD2 4.33Å; Y61-W710 HydrophobicContact CG-CE3 4.14Å; Y61-W710 HydrophobicContact CG-CG 4.41Å; K64-W710 HydrophobicContact CB-CH2 3.89Å; K64-W710 HydrophobicContact CB-CZ2 3.83Å; K64-W710 HydrophobicContact CD-CZ2 4.23Å; I65-W710 HydrophobicContact CG1-CH2 4.45Å; I65-W710 HydrophobicContact CG1-CZ3 3.73Å; K68-W710 HydrophobicContact CB-CH2 4.49Å; K68-W710 HydrophobicContact CG-CH2 4.13Å; K68-W710 HydrophobicContact CG-CZ2 4.07Å; F492-W710 HydrophobicContact CE2-CH2 4.2Å; F492-W710 HydrophobicContact CE2-CZ3 4.41Å; F492-W710 HydrophobicContact CZ-CH2 4.09Å; F492-W710 AromaticContact CZ-CZ3 3.84Å; F492-W710 HydrophobicContact CZ-CZ3 3.84Å; H496-W710 HydrophobicContact CB-CE3 4.33Å; H496-W710 HydrophobicContact CB-CH2 3.95Å; H496-W710 HydrophobicContact CB-CZ2 4.33Å; H496-W710 HydrophobicContact CB-CZ3 3.95Å; H496-W710 CarbonylContact O-C 3.56Å; H496-W710 WeakPolarHBondContact O-CA 3.46Å; F497-W710 HydrophobicContact CE1-CE3 4.08Å; F497-W710 HydrophobicContact CZ-CE3 4.2Å; F497-W710 HydrophobicContact CZ-CZ3 4.42Å; W710-E712 PolarHBondContact NE1-OE1 3.31Å; W710-E712 PolarHBondContact NE1-OE2 3.06Å; W710-E712 VanDerWaalsContact NE1-OE2 3.07Å
711K93.9Very high96.3Very high111 Ų11143.8 Ų43.848%0.48323%0.232SC..  trans-121.1130.1169.6-59.5-168.6-178.3-175.60108.7H496H496-K711 WeakPolarHBondContact CA-O 3.04Å; H496-K711 PolarHBondContact ND1-O 3.14Å; H496-K711 PolarHBondContact O-N 2.99Å
712E88.5Confident96.1Very high145 Ų14547.7 Ų47.768%0.67825%0.253SS*.  trans-72.20-177.5-71.7-64.9178.300114K64 H496 W710K64-E712 IonicContact NZ-OE1 3.57Å; K64-E712 PolarHBondContact NZ-OE1 3.1Å; H496-E712 PolarHBondContact CE1-OXT 2.91Å; W710-E712 PolarHBondContact NE1-OE1 3.31Å; W710-E712 PolarHBondContact NE1-OE2 3.06Å; W710-E712 VanDerWaalsContact NE1-OE2 3.07Å

Retrieved 712 of 712 residues in 223.4 ms (Link to these results)

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