A0A3Q0KQ46_SCHMA Loading...

Chromatin assembly factor I P60 subunit,putative

AlphaFold DB , UniProt , Accession A0A3Q0KQ46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 694 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
1M62.2Low71.4Confident60 Ų6059 Ų5930%0.29630%0.296SS..  0135.10-158175.8-161.100108.2F480 V492 I524 H525 F526 E530 L634M1-F480 HydrophobicContact CE-CE2 4.05Å; M1-F480 HydrophobicContact CE-CZ 4.34Å; M1-V492 HydrophobicContact CE-CG2 3.37Å; M1-V492 HydrophobicContact SD-CG2 3.98Å; M1-I524 HydrophobicContact CE-CB 4.43Å; M1-I524 HydrophobicContact CE-CD1 4.11Å; M1-I524 HydrophobicContact CE-CG1 4.35Å; M1-I524 HydrophobicContact CE-CG2 3.3Å; M1-I524 HydrophobicContact CG-CG2 4.38Å; M1-H525 CarbonylContact C-O 3.57Å; M1-H525 WeakPolarHBondContact CA-O 3.48Å; M1-F526 HydrophobicContact CE-CE1 3.65Å; M1-F526 HydrophobicContact CE-CZ 3.68Å; M1-F526 HydrophobicContact CG-CD1 4.31Å; M1-F526 HydrophobicContact CG-CE1 4.22Å; M1-F526 HydrophobicContact SD-CE1 4.23Å; M1-E530 WeakPolarHBondContact CA-OE1 3.19Å; M1-E530 WeakPolarHBondContact CA-OE2 3.36Å; M1-E530 WeakPolarHBondContact CB-OE1 3.19Å; M1-E530 PolarHBondContact N-OE1 2.78Å; M1-E530 PolarHBondContact N-OE2 3.4Å; M1-L634 HydrophobicContact SD-CD1 3.65Å; M1-L634 HydrophobicContact SD-CD2 4.25Å
2R70.3Confident72.3Confident130 Ų13064.8 Ų64.849%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-117.3151.6164.8-70.2177.8174.7176.5-4.3107.6W82 H525R2-W82 PolarHBondContact NH1-O 3.18Å; R2-H525 HydrophobicContact CB-CB 4.36Å; R2-H525 PolarHBondContact N-O 3.33Å; R2-H525 PolarHBondContact O-N 2.84Å
3F70.1Confident73.1Confident106 Ų10666.2 Ų66.247%0.46534%0.335SS..EExtended strand (participates in β ladder)trans-131.1142.3169.262.2-87.9000109.3L523 V632F3-L523 CarbonylContact C-O 3.41Å; F3-L523 VanDerWaalsContact CA-O 3.3Å; F3-L523 WeakPolarHBondContact CA-O 3.13Å; F3-V632 HydrophobicContact CE2-CB 4.44Å; F3-V632 HydrophobicContact CE2-CG2 4.2Å; F3-V632 HydrophobicContact CZ-CB 4Å; F3-V632 HydrophobicContact CZ-CG2 4.25Å
4L71Confident74.5Confident66 Ų6667.2 Ų67.235%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-127.6129.5164.2-16883.2000109P6 W82 F125 L523L4-P6 VanDerWaalsContact C-CD 3.45Å; L4-P6 HydrophobicContact CD2-CB 3.99Å; L4-P6 HydrophobicContact CD2-CG 4.38Å; L4-P6 WeakPolarHBondContact O-CD 3.43Å; L4-W82 HydrophobicContact CB-CH2 4.29Å; L4-W82 HydrophobicContact CB-CZ3 3.72Å; L4-W82 HydrophobicContact CD2-CH2 3.66Å; L4-W82 HydrophobicContact CD2-CZ3 3.56Å; L4-W82 HydrophobicContact CG-CZ3 4.16Å; L4-F125 HydrophobicContact CD2-CD1 4.4Å; L4-F125 HydrophobicContact CD2-CE1 4.23Å; L4-L523 PolarHBondContact N-O 3.3Å; L4-L523 PolarHBondContact O-N 3.03Å
5T72.5Confident75.8Confident65 Ų6564.5 Ų64.540%0.39933%0.33SS..  trans-104.282166.857.10000107.7E7 S522T5-E7 PolarHBondContact O-N 2.94Å; T5-S522 VanDerWaalsContact CG2-OG 3.31Å; T5-S522 WeakPolarHBondContact CG2-OG 3.29Å
6P69.4Low77.1Confident2 Ų260.4 Ų60.41%0.01331%0.31CS..  trans-62.8120-179.826-34.7000110.3L4 I8 W10 F125 L128 C521 L523L4-P6 VanDerWaalsContact C-CD 3.45Å; L4-P6 HydrophobicContact CD2-CB 3.99Å; L4-P6 HydrophobicContact CD2-CG 4.38Å; L4-P6 WeakPolarHBondContact O-CD 3.43Å; P6-I8 HydrophobicContact CB-CD1 4.02Å; P6-I8 HydrophobicContact CB-CG1 4.23Å; P6-I8 PolarHBondContact O-N 2.84Å; P6-W10 HydrophobicContact CG-CZ2 3.73Å; P6-F125 HydrophobicContact CB-CD1 4.24Å; P6-F125 HydrophobicContact CB-CE1 3.67Å; P6-F125 HydrophobicContact CB-CZ 4.23Å; P6-L128 HydrophobicContact CG-CD2 4.48Å; P6-C521 WeakPolarHBondContact CD-O 3.24Å; P6-L523 HydrophobicContact CG-CD1 4.01Å
7E65.6Low78.2Confident129 Ų12959.4 Ų59.460%0.60330%0.301SS*.  trans-72.669173.8-63-162.5159.800110.4T5 K627T5-E7 PolarHBondContact O-N 2.94Å; E7-K627 IonicContact OE1-NZ 2.93Å; E7-K627 PolarHBondContact OE1-NZ 3.31Å; E7-K627 IonicContact OE2-NZ 3.04Å; E7-K627 PolarHBondContact OE2-NZ 2.89Å
8I70.1Confident79.3Confident35 Ų3556.1 Ų56.118%0.17928%0.284CS..  trans-109.6137.6173.1-66.2170.9000106.8P6 W10 W76 F125 L128 Y520P6-I8 HydrophobicContact CB-CD1 4.02Å; P6-I8 HydrophobicContact CB-CG1 4.23Å; P6-I8 PolarHBondContact O-N 2.84Å; I8-W10 HydrophobicContact CB-CG 4.44Å; I8-W10 HydrophobicContact CG2-CD2 4.42Å; I8-W10 HydrophobicContact CG2-CG 4.23Å; I8-W10 PolarHBondContact O-N 3.18Å; I8-W76 HydrophobicContact CG2-CH2 3.93Å; I8-W76 HydrophobicContact CG2-CZ3 4.16Å; I8-F125 HydrophobicContact CG1-CE2 4.32Å; I8-L128 HydrophobicContact CD1-CD2 3.46Å; I8-L128 VanDerWaalsContact CD1-CD2 3.46Å; I8-L128 HydrophobicContact CD1-CG 4.37Å; I8-Y520 WeakPolarHBondContact O-CD1 3.31Å
9A72.6Confident80.2Confident56 Ų5653.2 Ų53.246%0.46327%0.27SS..  trans-78.368.7171.600000109.8H11 E12 T13A9-H11 PolarHBondContact O-N 2.85Å; A9-H11 VanDerWaalsContact O-N 3.1Å; A9-E12 PolarHBondContact O-N 2.91Å; A9-E12 VanDerWaalsContact O-N 3.13Å; A9-T13 HydrophobicContact CB-CG2 4.13Å
10W78.6Confident81.1Confident0 Ų051.6 Ų51.60%026%0.262CS..THydrogen-bonded Turntrans-51.7-37.3-170.7-68.785.8000113.4P6 I8 I16 L64 T66 R74 W76 L128 C521 L523P6-W10 HydrophobicContact CG-CZ2 3.73Å; I8-W10 HydrophobicContact CB-CG 4.44Å; I8-W10 HydrophobicContact CG2-CD2 4.42Å; I8-W10 HydrophobicContact CG2-CG 4.23Å; I8-W10 PolarHBondContact O-N 3.18Å; W10-I16 HydrophobicContact CB-CD1 3.64Å; W10-I16 HydrophobicContact CG-CD1 4.09Å; W10-L64 HydrophobicContact CH2-CD2 3.78Å; W10-L64 HydrophobicContact CZ3-CD2 3.65Å; W10-T66 HydrophobicContact CE3-CG2 4Å; W10-T66 HydrophobicContact CZ3-CG2 4.2Å; W10-R74 WeakPolarHBondContact O-CD 3.5Å; W10-R74 PolarHBondContact O-NH1 3Å; W10-W76 HydrophobicContact CB-CZ2 4.43Å; W10-W76 HydrophobicContact CD2-CZ2 4.31Å; W10-W76 AromaticContact CE3-CD2 3.87Å; W10-W76 HydrophobicContact CE3-CD2 3.87Å; W10-W76 AromaticContact CE3-CE2 3.38Å; W10-W76 HydrophobicContact CE3-CE3 4.48Å; W10-W76 HydrophobicContact CE3-CG 4.27Å; W10-W76 HydrophobicContact CE3-CH2 4.27Å; W10-W76 AromaticContact CE3-CZ2 3.62Å; W10-W76 HydrophobicContact CE3-CZ2 3.62Å; W10-W76 AromaticContact CE3-NE1 3.49Å; W10-W76 HydrophobicContact CZ3-CB 4.43Å; W10-W76 AromaticContact CZ3-CD1 3.69Å; W10-W76 AromaticContact CZ3-CD2 3.64Å; W10-W76 HydrophobicContact CZ3-CD2 3.64Å; W10-W76 AromaticContact CZ3-CE2 3.65Å; W10-W76 HydrophobicContact CZ3-CE3 4.26Å; W10-W76 AromaticContact CZ3-CG 3.69Å; W10-W76 HydrophobicContact CZ3-CG 3.69Å; W10-W76 HydrophobicContact CZ3-CZ2 4.27Å; W10-W76 AromaticContact CZ3-NE1 3.65Å; W10-L128 HydrophobicContact CH2-CD1 4.09Å; W10-L128 HydrophobicContact CH2-CD2 3.54Å; W10-L128 HydrophobicContact CH2-CG 4.45Å; W10-L128 HydrophobicContact CZ2-CD2 3.69Å; W10-L128 HydrophobicContact CZ3-CD2 4.48Å; W10-C521 HydrophobicContact CD2-CB 4.07Å; W10-C521 HydrophobicContact CE3-CB 4.49Å; W10-C521 HydrophobicContact CH2-CB 4.27Å; W10-C521 HydrophobicContact CZ2-CB 3.8Å; W10-L523 HydrophobicContact CZ2-CD1 4.28Å
11H83Confident81.7Confident0 Ų049.2 Ų49.20%025%0.25CC..THydrogen-bonded Turntrans-132.648.4174.3-72.5-97.8000110.8A9 T13 L14 I16 T66 D70 V72 R74A9-H11 PolarHBondContact O-N 2.85Å; A9-H11 VanDerWaalsContact O-N 3.1Å; H11-T13 PolarHBondContact O-N 3.37Å; H11-L14 WeakPolarHBondContact O-CA 3.18Å; H11-L14 VanDerWaalsContact O-CB 3.3Å; H11-L14 WeakPolarHBondContact O-CB 3.3Å; H11-L14 PolarHBondContact O-N 2.92Å; H11-I16 HydrophobicContact CB-CG1 4.42Å; H11-T66 PolarHBondContact CE1-O 3.27Å; H11-T66 VanDerWaalsContact CE1-O 3.29Å; H11-T66 VanDerWaalsContact NE2-C 3.27Å; H11-T66 WeakPolarHBondContact NE2-CB 3.44Å; H11-T66 PolarHBondContact NE2-O 3.26Å; H11-T66 PolarHBondContact NE2-OG1 2.95Å; H11-D70 VanDerWaalsContact CA-OD2 3.28Å; H11-D70 WeakPolarHBondContact CA-OD2 3.37Å; H11-D70 WeakPolarHBondContact CB-OD2 3.5Å; H11-D70 IonicContact CE1-OD1 2.73Å; H11-D70 IonicContact CG-OD1 3.93Å; H11-D70 IonicContact CG-OD2 3.82Å; H11-D70 IonicContact ND1-OD1 3.7Å; H11-D70 PolarHBondContact ND1-OD1 3.07Å; H11-D70 IonicContact ND1-OD2 2.73Å; H11-D70 PolarHBondContact ND1-OD2 3.03Å; H11-V72 PolarHBondContact CE1-O 3.48Å; H11-V72 PolarHBondContact ND1-O 2.77Å; H11-R74 PolarHBondContact ND1-NH1 2.83Å; H11-R74 VanDerWaalsContact ND1-NH1 3.13Å
12E82.9Confident83.2Confident129 Ų12947 Ų4760%0.60324%0.239SC*.THydrogen-bonded Turntrans5729177.7-66.4169.2-138.200113.5A9 L14 R74A9-E12 PolarHBondContact O-N 2.91Å; A9-E12 VanDerWaalsContact O-N 3.13Å; E12-L14 PolarHBondContact O-N 3.07Å; E12-R74 IonicContact OE1-NH2 3.59Å; E12-R74 PolarHBondContact OE1-NH2 2.88Å
13T82.5Confident83.8Confident82 Ų8242.2 Ų42.250%0.50322%0.223SC..THydrogen-bonded Turntrans65.96.9-171.168.50000116.2A9 H11A9-T13 HydrophobicContact CB-CG2 4.13Å; H11-T13 PolarHBondContact O-N 3.37Å
14L92.6Very high83.8Confident81 Ų8142.2 Ų42.242%0.42422%0.22SC..SBendtrans-76.8156.6166.4-64170000111.2H11 E12 D70 G519H11-L14 WeakPolarHBondContact O-CA 3.18Å; H11-L14 VanDerWaalsContact O-CB 3.3Å; H11-L14 WeakPolarHBondContact O-CB 3.3Å; H11-L14 PolarHBondContact O-N 2.92Å; E12-L14 PolarHBondContact O-N 3.07Å; L14-D70 HydrophobicContact CB-CB 4.37Å; L14-D70 HydrophobicContact CD1-CB 3.73Å; L14-G519 VanDerWaalsContact O-CA 3.26Å; L14-G519 WeakPolarHBondContact O-CA 3.36Å
15P94.1Very high83.1Confident26 Ų2643.4 Ų43.417%0.16923%0.226CC..  trans-53.5141.2-173.9-32.438.4000115.6Y17 G68 G69 T517P15-Y17 HydrophobicContact CB-CD1 4.14Å; P15-Y17 HydrophobicContact CB-CE1 3.45Å; P15-Y17 VanDerWaalsContact CB-CE1 3.45Å; P15-Y17 HydrophobicContact CG-CE1 4.34Å; P15-G68 CarbonylContact O-C 3.56Å; P15-G68 WeakPolarHBondContact O-CA 3.29Å; P15-G69 PolarHBondContact O-N 3.31Å; P15-T517 WeakPolarHBondContact CA-O 3.39Å; P15-T517 HydrophobicContact CB-CG2 3.8Å; P15-T517 HydrophobicContact CG-CG2 3.76Å
16I95.6Very high81.6Confident0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-103.6110.8170.1-42.9179.2000109.3W10 H11 A67 N501 C515 S516 C521W10-I16 HydrophobicContact CB-CD1 3.64Å; W10-I16 HydrophobicContact CG-CD1 4.09Å; H11-I16 HydrophobicContact CB-CG1 4.42Å; I16-A67 WeakPolarHBondContact CG2-O 3.3Å; I16-N501 PolarHBondContact O-ND2 2.77Å; I16-C515 HydrophobicContact CB-CB 3.89Å; I16-C515 HydrophobicContact CG2-CB 3.62Å; I16-C515 PolarHBondContact O-SG 3.45Å; I16-S516 PolarHBondContact N-O 3.18Å; I16-C521 WeakPolarHBondContact CD1-SG 3.38Å
17Y96.6Very high79.9Confident43 Ų4351.4 Ų51.417%0.16926%0.264CS..EExtended strand (participates in β ladder)trans-89-23-176.1-60-44.5000113.4P15 A67 P140 N142 F351 R353P15-Y17 HydrophobicContact CB-CD1 4.14Å; P15-Y17 HydrophobicContact CB-CE1 3.45Å; P15-Y17 VanDerWaalsContact CB-CE1 3.45Å; P15-Y17 HydrophobicContact CG-CE1 4.34Å; Y17-A67 PolarHBondContact N-O 3.36Å; Y17-P140 HydrophobicContact CE2-CB 4.03Å; Y17-N142 WeakPolarHBondContact CB-O 3.38Å; Y17-F351 HydrophobicContact CD1-CE2 4.05Å; Y17-F351 AromaticContact CD1-CZ 3.91Å; Y17-F351 HydrophobicContact CD1-CZ 3.91Å; Y17-F351 HydrophobicContact CG-CE2 4.44Å; Y17-F351 AromaticContact CG-CZ 3.95Å; Y17-F351 HydrophobicContact CG-CZ 3.95Å; Y17-R353 PolarHBondContact O-NH1 3.43Å
18S97.6Very high78.3Confident0 Ų048.3 Ų48.30%025%0.251CS..EExtended strand (participates in β ladder)trans-150.5142179.5-174.90000112.2T66 A67 N142 V144 R145S18-T66 WeakPolarHBondContact O-CA 3.32Å; S18-A67 PolarHBondContact N-O 2.9Å; S18-A67 VanDerWaalsContact N-O 3.14Å; S18-A67 PolarHBondContact O-N 3.36Å; S18-N142 WeakPolarHBondContact CB-O 3.22Å; S18-V144 PolarHBondContact OG-N 3.36Å; S18-V144 VanDerWaalsContact OG-N 3.08Å; S18-V144 PolarHBondContact OG-O 3.2Å; S18-R145 PolarHBondContact OG-NH1 2.85Å
19C97Very high76.4Confident0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-132.4144.2168.460.70000109.7L64 A65 T66 V513 C515C19-L64 HydrophobicContact CB-CD1 4.15Å; C19-A65 CarbonylContact C-O 3.5Å; C19-A65 VanDerWaalsContact CA-O 3.29Å; C19-A65 WeakPolarHBondContact CA-O 3.36Å; C19-T66 HydrophobicContact CB-CG2 4.29Å; C19-V513 HydrophobicContact CB-CG1 4.17Å; C19-C515 HydrophobicContact CB-CB 3.91Å
20D97.2Very high74.4Confident22 Ų2253.3 Ų53.312%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-150.3140.7175-161.723.9000114L64 A65 R145 W146 S504D20-L64 WeakPolarHBondContact O-CA 3.25Å; D20-A65 PolarHBondContact N-O 3.46Å; D20-A65 PolarHBondContact O-N 2.91Å; D20-R145 WeakPolarHBondContact OD2-CA 3.29Å; D20-W146 PolarHBondContact O-NE1 3.14Å; D20-W146 PolarHBondContact OD2-N 2.92Å; D20-S504 WeakPolarHBondContact OD1-CB 3.16Å; D20-S504 PolarHBondContact OD1-OG 2.71Å
21L95.3Very high71.9Confident1 Ų160.7 Ų60.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-100.3138.3-177.4-73.2168000111.3N23 T62 R63 L64 S504 W505 V513L21-N23 VanDerWaalsContact C-N 3.29Å; L21-N23 PolarHBondContact O-N 3.36Å; L21-T62 HydrophobicContact CD2-CG2 3.84Å; L21-R63 CarbonylContact C-O 3.53Å; L21-R63 WeakPolarHBondContact CA-O 3.37Å; L21-L64 HydrophobicContact CD2-CB 3.84Å; L21-L64 HydrophobicContact CD2-CD1 3.98Å; L21-L64 HydrophobicContact CD2-CG 4.44Å; L21-L64 HydrophobicContact CG-CD1 4.26Å; L21-S504 WeakPolarHBondContact CD1-O 3.2Å; L21-S504 PolarHBondContact N-OG 3.34Å; L21-W505 VanDerWaalsContact CD1-C 3.5Å; L21-V513 HydrophobicContact CD1-CB 4.48Å; L21-V513 HydrophobicContact CD1-CG2 3.96Å; L21-V513 HydrophobicContact CD2-CG2 4.12Å; L21-V513 HydrophobicContact CG-CG2 4.23Å
22Q92.6Very high69.4Low13 Ų1367.2 Ų67.26%0.06135%0.351CS..  trans-74.679.8-174.9-169.8-172.634.300111.5R24 T62 R63 W146 G150Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 HydrophobicContact CG-CG 4.15Å; Q22-R24 PolarHBondContact O-N 3.41Å; Q22-T62 PolarHBondContact O-OG1 3.08Å; Q22-R63 HydrophobicContact CB-CB 3.81Å; Q22-R63 WeakPolarHBondContact CB-O 3.46Å; Q22-R63 PolarHBondContact N-O 2.86Å; Q22-R63 VanDerWaalsContact OE1-CG 3.25Å; Q22-W146 HydrophobicContact CB-CD2 3.76Å; Q22-W146 HydrophobicContact CB-CE3 4.23Å; Q22-W146 HydrophobicContact CB-CG 4.11Å; Q22-W146 HydrophobicContact CB-CZ2 4.07Å; Q22-W146 HydrophobicContact CG-CD2 3.78Å; Q22-W146 HydrophobicContact CG-CE3 3.74Å; Q22-W146 HydrophobicContact CG-CG 4.35Å; Q22-W146 HydrophobicContact CG-CH2 4.34Å; Q22-W146 HydrophobicContact CG-CZ2 4.37Å; Q22-W146 HydrophobicContact CG-CZ3 4.03Å; Q22-G150 PolarHBondContact NE2-O 3.14Å
23N83Confident66.6Low31 Ų3171.3 Ų71.317%0.16637%0.366CS..  trans-83.169.9-179.8-67.4-33000111L21 L25 W505 K507L21-N23 VanDerWaalsContact C-N 3.29Å; L21-N23 PolarHBondContact O-N 3.36Å; N23-L25 PolarHBondContact O-N 2.91Å; N23-W505 PolarHBondContact ND2-O 2.92Å; N23-W505 PolarHBondContact OD1-O 2.92Å; N23-K507 HydrophobicContact CB-CB 4.48Å; N23-K507 WeakPolarHBondContact OD1-CA 3.27Å; N23-K507 PolarHBondContact OD1-N 2.94Å
24R69.6Low64Low105 Ų10573.3 Ų73.340%0.39638%0.383SS..  trans-53.899.1176.2-70.9-159.7150158.6-6.8111.3Q22 S149 D151 K507Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 HydrophobicContact CG-CG 4.15Å; Q22-R24 PolarHBondContact O-N 3.41Å; R24-S149 VanDerWaalsContact CG-O 3.25Å; R24-S149 WeakPolarHBondContact CG-O 3.32Å; R24-S149 PolarHBondContact NE-O 2.91Å; R24-D151 IonicContact CZ-OD1 3.26Å; R24-D151 IonicContact NE-OD1 2.8Å; R24-D151 PolarHBondContact NE-OD1 3.1Å; R24-D151 IonicContact NH2-OD1 3.34Å; R24-D151 PolarHBondContact NH2-OD1 3.4Å; R24-K507 WeakPolarHBondContact O-CE 3.38Å; R24-K507 PolarHBondContact O-NZ 3.45Å
25L56.2Low60.9Low92 Ų9274.4 Ų74.448%0.48240%0.397SS..  trans-89.2108.1171-68.8170.9000107.4N23 P27 P148N23-L25 PolarHBondContact O-N 2.91Å; L25-P27 WeakPolarHBondContact O-CD 3.34Å; L25-P148 PolarHBondContact N-O 3.48Å
26K41Very low57.6Low147 Ų14780.3 Ų80.364%0.63943%0.427SS*.PPolyproline II helixtrans-61.6125.5162.4-75.4173.9178.1160.10106.1D56K26-D56 IonicContact NZ-OD1 3.95Å; K26-D56 PolarHBondContact NZ-OD1 2.83Å; K26-D56 IonicContact NZ-OD2 2.86Å
27P34Very low54.4Low87 Ų8789.3 Ų89.357%0.56547%0.469SS*.PPolyproline II helixtrans-53.3144.2173.4-26.235.2000110.6L25 S29L25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-S29 PolarHBondContact O-N 2.86Å
28I32.7Very low51Low65 Ų6593.5 Ų93.533%0.33350%0.495SS..PPolyproline II helixtrans-67.6120171-62.3176.8000106.4D30 L47I28-D30 PolarHBondContact O-N 3.32Å; I28-L47 HydrophobicContact CD1-CD2 4.41Å
29S30.4Very low47.7Very low76 Ų7698.7 Ų98.753%0.53153%0.531SS..  trans-75.7114.8-175.556.50000111.2P27 N31P27-S29 PolarHBondContact O-N 2.86Å; S29-N31 PolarHBondContact O-N 3.12Å
30D29.1Very low44.5Very low120 Ų120105.8 Ų105.864%0.64257%0.569SS**  trans-66.293.6172.1-69.4-34.1000110.8I28 N32I28-D30 PolarHBondContact O-N 3.32Å; D30-N32 PolarHBondContact O-N 3.22Å
31N26.9Very low42.2Very low154 Ų154108.6 Ų108.682%0.82458%0.578SS**  trans-77.59.7173.4-100-16.6000113.3S29S29-N31 PolarHBondContact O-N 3.12Å
32N29.9Very low39.5Very low137 Ų137111.3 Ų111.373%0.73360%0.596SS**SBendtrans-110.6123177.3-78.5-24.7000110.7D30 C34D30-N32 PolarHBondContact O-N 3.22Å; N32-C34 PolarHBondContact O-N 3.35Å
33K25.5Very low37.3Very low215 Ų215114.2 Ų114.294%0.93562%0.616SS**  trans-71.187.7179.7-65.4179.8176.3-175.90111.8
34C27.1Very low35.6Very low125 Ų125114.7 Ų114.785%0.84562%0.619SS**  trans-97.393168-80.60000111.2N32N32-C34 PolarHBondContact O-N 3.35Å
35S26.9Very low34.4Very low103 Ų103113.1 Ų113.172%0.7262%0.624SS**  trans-66.1134.4174.9540000112.9Q37S35-Q37 PolarHBondContact O-N 3.19Å
36N24.7Very low33.6Very low151 Ų151112.8 Ų112.881%0.80762%0.62SS**SBendtrans35.680.5154.9-68.5-13.3000117.3
37Q28.4Very low34.1Very low189 Ų189107.9 Ų107.988%0.88360%0.6SS**  trans-162157.2144.1-113.5147.5107.600115.9S35S35-Q37 PolarHBondContact O-N 3.19Å
38N26Very low34.6Very low131 Ų131106.4 Ų106.470%0.70159%0.588SS**  trans-50128.4-168.2-59.7-40.9000117.2N40N38-N40 VanDerWaalsContact C-N 3.32Å; N38-N40 PolarHBondContact O-N 2.83Å
39S28.6Very low35.5Very low109 Ų109104.9 Ų104.976%0.76258%0.579SS**  trans61.39.2138.663.50000120.9
40N29.9Very low36.1Very low149 Ų149107.3 Ų107.380%0.79758%0.58SS**  trans-93.6101.2174.8-71.6-19.5000111N38N38-N40 VanDerWaalsContact C-N 3.32Å; N38-N40 PolarHBondContact O-N 2.83Å
41R47.8Very low36.4Very low81 Ų81105.6 Ų105.631%0.30658%0.577SS.*PPolyproline II helixtrans-69.4144.8166.2-84.2156.2149-77.8-4109.7D222 L306 F308R41-D222 IonicContact CZ-OD2 2.7Å; R41-D222 IonicContact NE-OD2 3.39Å; R41-D222 VanDerWaalsContact NH2-CB 3.34Å; R41-D222 IonicContact NH2-OD1 3.05Å; R41-D222 IonicContact NH2-OD2 2.83Å; R41-D222 PolarHBondContact NH2-OD2 2.72Å; R41-L306 WeakPolarHBondContact CD-O 3.11Å; R41-L306 VanDerWaalsContact NH1-C 3.31Å; R41-L306 PolarHBondContact NH1-O 2.66Å; R41-F308 HydrophobicContact CB-CE1 4.47Å; R41-F308 HydrophobicContact CB-CE2 3.85Å; R41-F308 HydrophobicContact CB-CZ 3.72Å; R41-F308 WeakPolarHBondContact O-CZ 3.43Å
42S40Very low37.3Very low57 Ų57100.5 Ų100.540%0.39955%0.549SS..PPolyproline II helixtrans-70.7155.3-162.131.80000115.5E46S42-E46 WeakPolarHBondContact CB-OE2 3.45Å
43P46.1Very low37.7Very low74 Ų74102.3 Ų102.348%0.48155%0.551SS.*PPolyproline II helixtrans-68.2154.5175.829.2-36.5000113S45 E46P43-S45 PolarHBondContact O-N 3.09Å; P43-E46 WeakPolarHBondContact CD-OE1 3.35Å; P43-E46 HydrophobicContact CG-CG 4.49Å; P43-E46 WeakPolarHBondContact CG-OE1 3.33Å; P43-E46 PolarHBondContact O-N 2.86Å
44L47.2Very low38.3Very low42 Ų4298 Ų9822%0.2254%0.538CS..G310 helixtrans-48.5-26.5179.2-72157.1000115.3E46 L47 L306 D359 L361 F539L44-E46 PolarHBondContact O-N 2.81Å; L44-L47 HydrophobicContact CD2-CD1 4.44Å; L44-L47 WeakPolarHBondContact O-CB 3.34Å; L44-L47 PolarHBondContact O-N 3.23Å; L44-L306 HydrophobicContact CD2-CD1 3.88Å; L44-L306 HydrophobicContact CD2-CD2 4.43Å; L44-L306 HydrophobicContact CG-CD1 4.23Å; L44-D359 HydrophobicContact CD2-CB 4.41Å; L44-D359 WeakPolarHBondContact CD2-O 3.41Å; L44-L361 HydrophobicContact CD1-CD2 3.65Å; L44-L361 HydrophobicContact CD1-CG 4.43Å; L44-L361 HydrophobicContact CD2-CD2 4.18Å; L44-L361 HydrophobicContact CD2-CG 4.17Å; L44-F539 WeakPolarHBondContact O-CB 3.29Å
45S43.1Very low39.3Very low71 Ų7194.9 Ų94.950%0.49751%0.512SS..G310 helixtrans-65.1-22.6178.343.80000114.2P43P43-S45 PolarHBondContact O-N 3.09Å
46E40.2Very low39.9Very low85 Ų8593.6 Ų93.640%0.39750%0.498SS..G310 helixtrans-85.7-13.3-179.5-69.7170.8-146.600112.8S42 P43 L44 N48S42-E46 WeakPolarHBondContact CB-OE2 3.45Å; P43-E46 WeakPolarHBondContact CD-OE1 3.35Å; P43-E46 HydrophobicContact CG-CG 4.49Å; P43-E46 WeakPolarHBondContact CG-OE1 3.33Å; P43-E46 PolarHBondContact O-N 2.86Å; L44-E46 PolarHBondContact O-N 2.81Å; E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 2.76Å
47L51.5Low40.9Very low44 Ų4492.6 Ų92.623%0.2350%0.499CS..  trans-66.590.5163.1-64176.8000108.7I28 L44 L306 D359 F539I28-L47 HydrophobicContact CD1-CD2 4.41Å; L44-L47 HydrophobicContact CD2-CD1 4.44Å; L44-L47 WeakPolarHBondContact O-CB 3.34Å; L44-L47 PolarHBondContact O-N 3.23Å; L47-L306 HydrophobicContact CD1-CD2 4.21Å; L47-D359 HydrophobicContact CD1-CB 4.42Å; L47-F539 HydrophobicContact CB-CB 3.95Å; L47-F539 HydrophobicContact CB-CD2 4.47Å; L47-F539 HydrophobicContact CB-CG 4.2Å; L47-F539 WeakPolarHBondContact O-CB 3.43Å; L47-F539 WeakPolarHBondContact O-CD2 3.49Å; L47-F539 PolarHBondContact O-N 3.35Å
48N45Very low41.8Very low56 Ų5686.7 Ų86.730%0.29949%0.489SS..  trans-126.683-170.3-172.54.2000111.3E46 K50 S51E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 2.76Å; N48-K50 PolarHBondContact O-N 3.45Å; N48-K50 WeakPolarHBondContact OD1-CB 3.34Å; N48-K50 WeakPolarHBondContact OD1-CD 3.12Å; N48-K50 WeakPolarHBondContact OD1-CG 3.49Å; N48-K50 PolarHBondContact OD1-N 3.02Å; N48-S51 PolarHBondContact O-N 3.31Å
49F52.1Low43.4Very low33 Ų3385 Ų8515%0.14548%0.479CS..G310 helixtrans-66.99.4179.9-64.9-50.1000115.2S51 I52 P441 W468 F539F49-S51 PolarHBondContact O-N 2.71Å; F49-I52 HydrophobicContact CB-CD1 4.08Å; F49-I52 HydrophobicContact CB-CG1 4.16Å; F49-I52 HydrophobicContact CD1-CD1 3.38Å; F49-I52 HydrophobicContact CD1-CG1 3.82Å; F49-I52 HydrophobicContact CE1-CD1 3.96Å; F49-I52 HydrophobicContact CG-CD1 3.89Å; F49-I52 HydrophobicContact CG-CG1 4.36Å; F49-I52 PolarHBondContact O-N 2.7Å; F49-P441 HydrophobicContact CD2-CG 3.85Å; F49-P441 HydrophobicContact CE2-CG 4.11Å; F49-W468 HydrophobicContact CE2-CH2 4.15Å; F49-F539 HydrophobicContact CD2-CD2 4.31Å; F49-F539 AromaticContact CD2-CE2 3.47Å; F49-F539 HydrophobicContact CD2-CE2 3.47Å; F49-F539 VanDerWaalsContact CD2-CE2 3.47Å; F49-F539 AromaticContact CD2-CZ 3.76Å; F49-F539 HydrophobicContact CD2-CZ 3.76Å; F49-F539 AromaticContact CE2-CE2 3.97Å; F49-F539 HydrophobicContact CE2-CE2 3.97Å; F49-F539 AromaticContact CE2-CZ 3.91Å; F49-F539 HydrophobicContact CE2-CZ 3.91Å; F49-F539 HydrophobicContact CG-CE2 4.47Å
50K42.4Very low45.7Very low128 Ų12882.9 Ų82.956%0.55746%0.46SS*.G310 helixtrans-58.8-21.3161.6-67.2178.3-175.8177.20112.6N48 R536N48-K50 PolarHBondContact O-N 3.45Å; N48-K50 WeakPolarHBondContact OD1-CB 3.34Å; N48-K50 WeakPolarHBondContact OD1-CD 3.12Å; N48-K50 WeakPolarHBondContact OD1-CG 3.49Å; N48-K50 PolarHBondContact OD1-N 3.02Å; K50-R536 VanDerWaalsContact CG-O 3.29Å; K50-R536 WeakPolarHBondContact CG-O 3.43Å
51S36Very low48.4Very low84 Ų8478.3 Ų78.359%0.58743%0.431SS*.G310 helixtrans-82.4-6.3172.1-147.10000114.1N48 F49 K53N48-S51 PolarHBondContact O-N 3.31Å; F49-S51 PolarHBondContact O-N 2.71Å; S51-K53 PolarHBondContact O-N 2.68Å
52I45.3Very low50.4Low46 Ų4675 Ų7524%0.23642%0.42CS..  trans-78.867.9161.7-51.2-175.8000108F49 D54F49-I52 HydrophobicContact CB-CD1 4.08Å; F49-I52 HydrophobicContact CB-CG1 4.16Å; F49-I52 HydrophobicContact CD1-CD1 3.38Å; F49-I52 HydrophobicContact CD1-CG1 3.82Å; F49-I52 HydrophobicContact CE1-CD1 3.96Å; F49-I52 HydrophobicContact CG-CD1 3.89Å; F49-I52 HydrophobicContact CG-CG1 4.36Å; F49-I52 PolarHBondContact O-N 2.7Å; I52-D54 PolarHBondContact O-N 3.1Å
53K38.1Very low52.8Low176 Ų17673.7 Ų73.777%0.76541%0.406SS*.  trans-77.7101.5153.2-74.1-171.5175.6-176.40106.5S51S51-K53 PolarHBondContact O-N 2.68Å
54D37.7Very low55.1Low123 Ų12370.1 Ų70.166%0.65838%0.383SS*.  trans67.7136.6172.3-45.6-46.7000115.5I52I52-D54 PolarHBondContact O-N 3.1Å
55L47.9Very low57.5Low60 Ų6068.1 Ų68.131%0.31437%0.373SS..SBendtrans-62.4133.2146.2-98.272.8000105.5P57 D508L55-P57 WeakPolarHBondContact O-CA 3.47Å; L55-P57 WeakPolarHBondContact O-CD 3.35Å; L55-D508 HydrophobicContact CD2-CB 3.9Å
56D40Very low60.1Low77 Ų7764.8 Ų64.841%0.41235%0.349SS..  trans-47.8107180-57.6-78.9000108.8K26 G58 L59K26-D56 IonicContact NZ-OD1 3.95Å; K26-D56 PolarHBondContact NZ-OD1 2.83Å; K26-D56 IonicContact NZ-OD2 2.86Å; D56-G58 PolarHBondContact O-N 2.97Å; D56-L59 PolarHBondContact O-N 3.38Å
57P45.1Very low62.8Low129 Ų12960.7 Ų60.784%0.83833%0.33SS*.THydrogen-bonded Turntrans-72.5-2.4-152.522.2-32.8000115.2L55L55-P57 WeakPolarHBondContact O-CA 3.47Å; L55-P57 WeakPolarHBondContact O-CD 3.35Å
58G47.2Very low64.8Low65 Ų6558.6 Ų58.667%0.6732%0.319SS*.THydrogen-bonded Turntrans-92.1-13.5168.400000115.2D56 N60D56-G58 PolarHBondContact O-N 2.97Å; G58-N60 VanDerWaalsContact C-N 3.34Å; G58-N60 PolarHBondContact O-N 3.37Å; G58-N60 VanDerWaalsContact O-N 3.08Å
59L59.7Low67.2Low95 Ų9556.8 Ų56.850%0.49731%0.314SS..  trans-8675.5178.5-106.472.5000111.1D56 W61D56-L59 PolarHBondContact O-N 3.38Å; L59-W61 PolarHBondContact O-N 3.48Å; L59-W61 VanDerWaalsContact O-N 3.07Å
60N78Confident69.2Low65 Ų6556.2 Ų56.235%0.34831%0.312SS..  trans-73.718.7173.172-18.2000114.1G58 Q79 L80G58-N60 VanDerWaalsContact C-N 3.34Å; G58-N60 PolarHBondContact O-N 3.37Å; G58-N60 VanDerWaalsContact O-N 3.08Å; N60-Q79 CarbonylContact O-C 3.55Å; N60-Q79 VanDerWaalsContact O-CA 3.28Å; N60-Q79 WeakPolarHBondContact O-CA 3.48Å; N60-L80 PolarHBondContact O-N 2.92Å
61W85.1Confident71.7Confident53 Ų5352.5 Ų52.520%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-154.2161.8-17472.6-83.9000113.3L59 R63 R77 V78 Q79L59-W61 PolarHBondContact O-N 3.48Å; L59-W61 VanDerWaalsContact O-N 3.07Å; W61-R63 HydrophobicContact CH2-CG 4.5Å; W61-R63 HydrophobicContact CZ3-CG 3.76Å; W61-R77 HydrophobicContact CB-CG 4.1Å; W61-R77 HydrophobicContact CD2-CG 3.82Å; W61-R77 HydrophobicContact CE3-CB 3.88Å; W61-R77 HydrophobicContact CE3-CG 3.47Å; W61-R77 VanDerWaalsContact CE3-CG 3.47Å; W61-R77 HydrophobicContact CG-CG 4.11Å; W61-R77 HydrophobicContact CZ3-CB 4.1Å; W61-R77 HydrophobicContact CZ3-CG 4.11Å; W61-V78 CarbonylContact C-O 3.57Å; W61-V78 VanDerWaalsContact CA-O 3.23Å; W61-V78 WeakPolarHBondContact CA-O 3.3Å; W61-V78 WeakPolarHBondContact CB-O 3.49Å; W61-Q79 HydrophobicContact CB-CG 4.41Å
62T89.8Confident74.5Confident12 Ų1249 Ų497%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-140.4165.2172.1-172.40000111.1L21 Q22 V78 L80L21-T62 HydrophobicContact CD2-CG2 3.84Å; Q22-T62 PolarHBondContact O-OG1 3.08Å; T62-V78 PolarHBondContact N-O 2.78Å; T62-V78 PolarHBondContact O-N 2.91Å; T62-L80 HydrophobicContact CG2-CD2 3.99Å
63R92Very high76.9Confident29 Ų2946.8 Ų46.811%0.10926%0.262CS..EExtended strand (participates in β ladder)trans-84.3141.7169.4-63.3-178.7-177.678.5-0.4110.7L21 Q22 W61 W76 L131 W146 E199L21-R63 CarbonylContact C-O 3.53Å; L21-R63 WeakPolarHBondContact CA-O 3.37Å; Q22-R63 HydrophobicContact CB-CB 3.81Å; Q22-R63 WeakPolarHBondContact CB-O 3.46Å; Q22-R63 PolarHBondContact N-O 2.86Å; Q22-R63 VanDerWaalsContact OE1-CG 3.25Å; W61-R63 HydrophobicContact CH2-CG 4.5Å; W61-R63 HydrophobicContact CZ3-CG 3.76Å; R63-W76 CarbonylContact C-O 3.53Å; R63-W76 VanDerWaalsContact CA-O 3.27Å; R63-W76 WeakPolarHBondContact CA-O 3.44Å; R63-L131 HydrophobicContact CG-CD1 3.78Å; R63-W146 HydrophobicContact CB-CH2 4.13Å; R63-W146 HydrophobicContact CB-CZ2 3.65Å; R63-E199 IonicContact CZ-OE1 2.73Å; R63-E199 VanDerWaalsContact CZ-OE1 3.26Å; R63-E199 IonicContact CZ-OE2 3.67Å; R63-E199 IonicContact NE-OE1 3.51Å; R63-E199 PolarHBondContact NE-OE1 2.89Å; R63-E199 IonicContact NE-OE2 2.88Å; R63-E199 PolarHBondContact NE-OE2 2.83Å; R63-E199 IonicContact NH2-OE1 3.49Å; R63-E199 PolarHBondContact NH2-OE1 3.05Å; R63-E199 IonicContact NH2-OE2 2.69Å; R63-E199 PolarHBondContact NH2-OE2 2.74Å
64L94.7Very high79.6Confident0 Ų039.3 Ų39.30%023%0.229CC..EExtended strand (participates in β ladder)trans-113.2130.9165.3169.662.6000107.5W10 C19 D20 L21 T66 L75 W76 V78 V513W10-L64 HydrophobicContact CH2-CD2 3.78Å; W10-L64 HydrophobicContact CZ3-CD2 3.65Å; C19-L64 HydrophobicContact CB-CD1 4.15Å; D20-L64 WeakPolarHBondContact O-CA 3.25Å; L21-L64 HydrophobicContact CD2-CB 3.84Å; L21-L64 HydrophobicContact CD2-CD1 3.98Å; L21-L64 HydrophobicContact CD2-CG 4.44Å; L21-L64 HydrophobicContact CG-CD1 4.26Å; L64-T66 HydrophobicContact CD1-CG2 4.28Å; L64-T66 HydrophobicContact CD2-CG2 4.18Å; L64-T66 HydrophobicContact CG-CG2 4Å; L64-L75 WeakPolarHBondContact O-CA 3.31Å; L64-W76 HydrophobicContact CB-CB 4.37Å; L64-W76 PolarHBondContact N-O 2.82Å; L64-W76 PolarHBondContact O-N 2.79Å; L64-V78 HydrophobicContact CB-CG2 3.46Å; L64-V78 VanDerWaalsContact CB-CG2 3.46Å; L64-V78 HydrophobicContact CD2-CG2 3.94Å; L64-V78 HydrophobicContact CG-CG2 4.36Å; L64-V513 HydrophobicContact CD1-CB 4.32Å; L64-V513 HydrophobicContact CD1-CG1 3.98Å; L64-V513 HydrophobicContact CD1-CG2 4.22Å; L64-V513 HydrophobicContact CD2-CG1 4.03Å; L64-V513 HydrophobicContact CD2-CG2 4.15Å
65A97Very high82.3Confident0 Ų033.4 Ų33.40%020%0.198CC..EExtended strand (participates in β ladder)trans-104.5137167.700000109.2C19 D20 R74 L75 V144 W146 L153C19-A65 CarbonylContact C-O 3.5Å; C19-A65 VanDerWaalsContact CA-O 3.29Å; C19-A65 WeakPolarHBondContact CA-O 3.36Å; D20-A65 PolarHBondContact N-O 3.46Å; D20-A65 PolarHBondContact O-N 2.91Å; A65-R74 WeakPolarHBondContact CA-O 3.16Å; A65-L75 HydrophobicContact CB-CD2 3.61Å; A65-V144 HydrophobicContact CB-CG1 4.19Å; A65-V144 HydrophobicContact CB-CG2 3.79Å; A65-W146 HydrophobicContact CB-CZ2 4.16Å; A65-L153 HydrophobicContact CB-CD1 3.87Å; A65-L153 HydrophobicContact CB-CD2 4.29Å
66T97.2Very high84.4Confident0 Ų031.5 Ų31.50%019%0.186CC..EExtended strand (participates in β ladder)trans-128.2143175590000110.1W10 H11 S18 C19 L64 V73 R74 W76W10-T66 HydrophobicContact CE3-CG2 4Å; W10-T66 HydrophobicContact CZ3-CG2 4.2Å; H11-T66 PolarHBondContact CE1-O 3.27Å; H11-T66 VanDerWaalsContact CE1-O 3.29Å; H11-T66 VanDerWaalsContact NE2-C 3.27Å; H11-T66 WeakPolarHBondContact NE2-CB 3.44Å; H11-T66 PolarHBondContact NE2-O 3.26Å; H11-T66 PolarHBondContact NE2-OG1 2.95Å; S18-T66 WeakPolarHBondContact O-CA 3.32Å; C19-T66 HydrophobicContact CB-CG2 4.29Å; L64-T66 HydrophobicContact CD1-CG2 4.28Å; L64-T66 HydrophobicContact CD2-CG2 4.18Å; L64-T66 HydrophobicContact CG-CG2 4Å; T66-V73 CarbonylContact O-C 3.53Å; T66-V73 WeakPolarHBondContact O-CA 3.19Å; T66-R74 PolarHBondContact N-O 2.88Å; T66-R74 PolarHBondContact O-N 3.33Å; T66-W76 PolarHBondContact OG1-NE1 2.87Å
67A96.5Very high86.8Confident0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-143.5143.4-176.100000110.7I16 Y17 S18 V73 V141 V144I16-A67 WeakPolarHBondContact CG2-O 3.3Å; Y17-A67 PolarHBondContact N-O 3.36Å; S18-A67 PolarHBondContact N-O 2.9Å; S18-A67 VanDerWaalsContact N-O 3.14Å; S18-A67 PolarHBondContact O-N 3.36Å; A67-V73 HydrophobicContact CB-CG2 4.2Å; A67-V141 CarbonylContact C-O 3.59Å; A67-V141 HydrophobicContact CB-CB 3.99Å; A67-V141 HydrophobicContact CB-CG1 3.77Å; A67-V144 HydrophobicContact CB-CB 3.83Å; A67-V144 HydrophobicContact CB-CG1 3.7Å
68G94.5Very high88.8Confident0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-168.8-161.5-167.400000117.1P15 D70 V141P15-G68 CarbonylContact O-C 3.56Å; P15-G68 WeakPolarHBondContact O-CA 3.29Å; G68-D70 PolarHBondContact O-N 3.48Å; G68-V141 PolarHBondContact N-O 2.98Å; G68-V141 PolarHBondContact O-N 2.89Å
69G94.5Very high90.6Very high17 Ų1724.4 Ų24.418%0.17512%0.119CC..THydrogen-bonded Turntrans-71.90.3-17300000116.7P15P15-G69 PolarHBondContact O-N 3.31Å
70D93.7Very high91.6Very high21 Ų2120.6 Ų20.611%0.11210%0.099CC..THydrogen-bonded Turntrans-105.69.3-179.469.9-15.5000113.5H11 L14 G68 V72 R74H11-D70 VanDerWaalsContact CA-OD2 3.28Å; H11-D70 WeakPolarHBondContact CA-OD2 3.37Å; H11-D70 WeakPolarHBondContact CB-OD2 3.5Å; H11-D70 IonicContact CE1-OD1 2.73Å; H11-D70 IonicContact CG-OD1 3.93Å; H11-D70 IonicContact CG-OD2 3.82Å; H11-D70 IonicContact ND1-OD1 3.7Å; H11-D70 PolarHBondContact ND1-OD1 3.07Å; H11-D70 IonicContact ND1-OD2 2.73Å; H11-D70 PolarHBondContact ND1-OD2 3.03Å; L14-D70 HydrophobicContact CB-CB 4.37Å; L14-D70 HydrophobicContact CD1-CB 3.73Å; G68-D70 PolarHBondContact O-N 3.48Å; D70-V72 PolarHBondContact O-N 3.24Å; D70-V72 VanDerWaalsContact O-N 3.12Å; D70-V72 PolarHBondContact OD1-N 3.49Å; D70-R74 IonicContact OD1-NH1 3.51Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NH1 3.56Å; D70-R74 PolarHBondContact OD2-NH1 2.77Å; D70-R74 IonicContact OD2-NH2 3.17Å; D70-R74 PolarHBondContact OD2-NH2 2.8Å
71N95.2Very high91.1Very high50 Ų5021.7 Ų21.727%0.26711%0.105SC..SBendtrans67.91.2179-42.1-11.8000114.8E138 K139 P140N71-E138 PolarHBondContact ND2-O 3.01Å; N71-K139 WeakPolarHBondContact CA-O 3.48Å; N71-K139 WeakPolarHBondContact CB-O 3.31Å; N71-K139 VanDerWaalsContact CG-CA 3.48Å; N71-K139 WeakPolarHBondContact OD1-CA 3.36Å; N71-K139 PolarHBondContact OD1-O 3.27Å; N71-P140 VanDerWaalsContact OD1-CD 3.29Å; N71-P140 WeakPolarHBondContact OD1-CD 3.35Å
72V95Very high90Very high11 Ų1120.6 Ų20.67%0.06710%0.101CC..EExtended strand (participates in β ladder)trans-102.6140.7-177.6-173.10000110.4H11 D70 R74 K135H11-V72 PolarHBondContact CE1-O 3.48Å; H11-V72 PolarHBondContact ND1-O 2.77Å; D70-V72 PolarHBondContact O-N 3.24Å; D70-V72 VanDerWaalsContact O-N 3.12Å; D70-V72 PolarHBondContact OD1-N 3.49Å; V72-R74 HydrophobicContact CG1-CG 3.87Å; V72-K135 HydrophobicContact CG1-CG 4.3Å; V72-K135 HydrophobicContact CG2-CG 4.07Å
73V96.2Very high88.2Confident0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-97121.9160.7-177.90000108.1T66 A67 L134 V141 V144 L153T66-V73 CarbonylContact O-C 3.53Å; T66-V73 WeakPolarHBondContact O-CA 3.19Å; A67-V73 HydrophobicContact CB-CG2 4.2Å; V73-L134 HydrophobicContact CB-CB 4.12Å; V73-L134 HydrophobicContact CB-CD1 4.18Å; V73-L134 HydrophobicContact CB-CG 4.32Å; V73-L134 HydrophobicContact CG1-CD1 4.12Å; V73-L134 PolarHBondContact N-O 2.65Å; V73-L134 WeakPolarHBondContact O-CG 3.16Å; V73-L134 PolarHBondContact O-N 3.19Å; V73-V141 HydrophobicContact CG2-CB 4.47Å; V73-V141 HydrophobicContact CG2-CG1 3.92Å; V73-V141 HydrophobicContact CG2-CG2 4.38Å; V73-V144 HydrophobicContact CG1-CG2 3.94Å; V73-L153 HydrophobicContact CG1-CD2 4.09Å
74R94.5Very high85.7Confident18 Ų1827.4 Ų27.47%0.06814%0.143CC..EExtended strand (participates in β ladder)trans-105.7142.1176.5-71.3-170.8-16468.91.2111.7W10 H11 E12 A65 T66 D70 V72 W76 Y130 A132 S133W10-R74 WeakPolarHBondContact O-CD 3.5Å; W10-R74 PolarHBondContact O-NH1 3Å; H11-R74 PolarHBondContact ND1-NH1 2.83Å; H11-R74 VanDerWaalsContact ND1-NH1 3.13Å; E12-R74 IonicContact OE1-NH2 3.59Å; E12-R74 PolarHBondContact OE1-NH2 2.88Å; A65-R74 WeakPolarHBondContact CA-O 3.16Å; T66-R74 PolarHBondContact N-O 2.88Å; T66-R74 PolarHBondContact O-N 3.33Å; D70-R74 IonicContact OD1-NH1 3.51Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NH1 3.56Å; D70-R74 PolarHBondContact OD2-NH1 2.77Å; D70-R74 IonicContact OD2-NH2 3.17Å; D70-R74 PolarHBondContact OD2-NH2 2.8Å; V72-R74 HydrophobicContact CG1-CG 3.87Å; R74-W76 HydrophobicContact CB-CZ2 3.9Å; R74-W76 HydrophobicContact CG-CZ2 4.49Å; R74-Y130 HydrophobicContact CG-CE2 4.36Å; R74-A132 WeakPolarHBondContact CA-O 3.3Å; R74-S133 WeakPolarHBondContact CG-OG 3.48Å
75L94.5Very high82.9Confident0 Ų030.9 Ų30.90%018%0.18CC..EExtended strand (participates in β ladder)trans-111.6138.2178.4-59.6-174.6000110.3L64 A65 L131 A132 L134 W146 L153 W201L64-L75 WeakPolarHBondContact O-CA 3.31Å; A65-L75 HydrophobicContact CB-CD2 3.61Å; L75-L131 HydrophobicContact CB-CB 4.06Å; L75-L131 WeakPolarHBondContact O-CA 3.44Å; L75-L131 WeakPolarHBondContact O-CB 3.43Å; L75-L131 PolarHBondContact O-N 2.92Å; L75-A132 HydrophobicContact CB-CB 4.35Å; L75-A132 HydrophobicContact CD1-CB 4.36Å; L75-A132 PolarHBondContact N-O 3.35Å; L75-A132 PolarHBondContact O-N 2.85Å; L75-L134 HydrophobicContact CD1-CD1 4.25Å; L75-L134 HydrophobicContact CD1-CD2 4.33Å; L75-L134 HydrophobicContact CG-CD1 4.36Å; L75-W146 HydrophobicContact CD2-CH2 4.42Å; L75-W146 HydrophobicContact CD2-CZ2 4.11Å; L75-L153 HydrophobicContact CD2-CD2 3.87Å; L75-W201 HydrophobicContact CD1-CD2 3.8Å; L75-W201 VanDerWaalsContact CD1-CE2 3.44Å; L75-W201 HydrophobicContact CD1-CG 3.92Å; L75-W201 HydrophobicContact CD1-CZ2 4.03Å; L75-W201 VanDerWaalsContact CD1-NE1 3.31Å
76W92.1Very high79.9Confident20 Ų2036.6 Ų36.68%0.07621%0.214CC..EExtended strand (participates in β ladder)trans-139.1140.4-174.6-44.981.8000110.3I8 W10 R63 L64 T66 R74 L128 T129 Y130I8-W76 HydrophobicContact CG2-CH2 3.93Å; I8-W76 HydrophobicContact CG2-CZ3 4.16Å; W10-W76 HydrophobicContact CB-CZ2 4.43Å; W10-W76 HydrophobicContact CD2-CZ2 4.31Å; W10-W76 AromaticContact CE3-CD2 3.87Å; W10-W76 HydrophobicContact CE3-CD2 3.87Å; W10-W76 AromaticContact CE3-CE2 3.38Å; W10-W76 HydrophobicContact CE3-CE3 4.48Å; W10-W76 HydrophobicContact CE3-CG 4.27Å; W10-W76 HydrophobicContact CE3-CH2 4.27Å; W10-W76 AromaticContact CE3-CZ2 3.62Å; W10-W76 HydrophobicContact CE3-CZ2 3.62Å; W10-W76 AromaticContact CE3-NE1 3.49Å; W10-W76 HydrophobicContact CZ3-CB 4.43Å; W10-W76 AromaticContact CZ3-CD1 3.69Å; W10-W76 AromaticContact CZ3-CD2 3.64Å; W10-W76 HydrophobicContact CZ3-CD2 3.64Å; W10-W76 AromaticContact CZ3-CE2 3.65Å; W10-W76 HydrophobicContact CZ3-CE3 4.26Å; W10-W76 AromaticContact CZ3-CG 3.69Å; W10-W76 HydrophobicContact CZ3-CG 3.69Å; W10-W76 HydrophobicContact CZ3-CZ2 4.27Å; W10-W76 AromaticContact CZ3-NE1 3.65Å; R63-W76 CarbonylContact C-O 3.53Å; R63-W76 VanDerWaalsContact CA-O 3.27Å; R63-W76 WeakPolarHBondContact CA-O 3.44Å; L64-W76 HydrophobicContact CB-CB 4.37Å; L64-W76 PolarHBondContact N-O 2.82Å; L64-W76 PolarHBondContact O-N 2.79Å; T66-W76 PolarHBondContact OG1-NE1 2.87Å; R74-W76 HydrophobicContact CB-CZ2 3.9Å; R74-W76 HydrophobicContact CG-CZ2 4.49Å; W76-L128 HydrophobicContact CB-CD1 3.9Å; W76-T129 CarbonylContact C-O 3.48Å; W76-T129 WeakPolarHBondContact CA-O 3.47Å; W76-Y130 HydrophobicContact CE3-CD2 4.22Å; W76-Y130 HydrophobicContact CH2-CD2 4.17Å; W76-Y130 HydrophobicContact CZ3-CD2 4.01Å; W76-Y130 HydrophobicContact CZ3-CG 4.49Å
77R89.8Confident76.6Confident76 Ų7644.4 Ų44.429%0.28726%0.255SS..EExtended strand (participates in β ladder)trans-87.7114.6167.3161.7173.6-56.114712.5108.1W61 L128 T129 L131W61-R77 HydrophobicContact CB-CG 4.1Å; W61-R77 HydrophobicContact CD2-CG 3.82Å; W61-R77 HydrophobicContact CE3-CB 3.88Å; W61-R77 HydrophobicContact CE3-CG 3.47Å; W61-R77 VanDerWaalsContact CE3-CG 3.47Å; W61-R77 HydrophobicContact CG-CG 4.11Å; W61-R77 HydrophobicContact CZ3-CB 4.1Å; W61-R77 HydrophobicContact CZ3-CG 4.11Å; R77-L128 WeakPolarHBondContact O-CA 3.41Å; R77-T129 PolarHBondContact N-O 2.84Å; R77-T129 PolarHBondContact O-N 3.37Å; R77-L131 HydrophobicContact CB-CD1 4.01Å; R77-L131 HydrophobicContact CB-CD2 3.87Å; R77-L131 HydrophobicContact CB-CG 4.03Å
78V88.7Confident73.3Confident0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-104.2120.7173.4-161.50000107.6W61 T62 L64 W82 L128 L511 L523W61-V78 CarbonylContact C-O 3.57Å; W61-V78 VanDerWaalsContact CA-O 3.23Å; W61-V78 WeakPolarHBondContact CA-O 3.3Å; W61-V78 WeakPolarHBondContact CB-O 3.49Å; T62-V78 PolarHBondContact N-O 2.78Å; T62-V78 PolarHBondContact O-N 2.91Å; L64-V78 HydrophobicContact CB-CG2 3.46Å; L64-V78 VanDerWaalsContact CB-CG2 3.46Å; L64-V78 HydrophobicContact CD2-CG2 3.94Å; L64-V78 HydrophobicContact CG-CG2 4.36Å; V78-W82 HydrophobicContact CG1-CZ2 4.36Å; V78-L128 HydrophobicContact CG2-CD1 3.94Å; V78-L511 HydrophobicContact CG1-CD2 3.87Å; V78-L523 HydrophobicContact CG1-CD2 3.73Å
79Q85Confident70Confident45 Ų4560.3 Ų60.321%0.2134%0.336CS..EExtended strand (participates in β ladder)trans-65.5151.9168.3-69.6176.59.100109.7N60 W61 W82 E126 H127N60-Q79 CarbonylContact O-C 3.55Å; N60-Q79 VanDerWaalsContact O-CA 3.28Å; N60-Q79 WeakPolarHBondContact O-CA 3.48Å; W61-Q79 HydrophobicContact CB-CG 4.41Å; Q79-W82 PolarHBondContact O-NE1 3.42Å; Q79-E126 PolarHBondContact NE2-O 2.74Å; Q79-H127 HydrophobicContact CB-CB 4.23Å; Q79-H127 PolarHBondContact N-O 3.25Å; Q79-H127 PolarHBondContact OE1-ND1 3.23Å
80L79.7Confident66.8Low15 Ų1566.1 Ų66.18%0.07937%0.368CS..SBendtrans-96.5-35.6174.9-62.8172.1000110.8N60 T62 W82 L511N60-L80 PolarHBondContact O-N 2.92Å; T62-L80 HydrophobicContact CG2-CD2 3.99Å; L80-W82 VanDerWaalsContact C-N 3.34Å; L80-W82 PolarHBondContact O-N 2.93Å; L80-L511 HydrophobicContact CD2-CD2 4.23Å
81N68.5Low63.7Low88 Ų8870.7 Ų70.747%0.47140%0.397SS..  trans-80.767.9-175.2-67-5.2000113.2L83N81-L83 PolarHBondContact O-N 3.09Å
82W60.6Low60.5Low31 Ų3177.2 Ų77.212%0.11743%0.426CS..  trans-78.260.3-178.8-75.153.3000113.1R2 L4 V78 Q79 L80 P84 H127 L523R2-W82 PolarHBondContact NH1-O 3.18Å; L4-W82 HydrophobicContact CB-CH2 4.29Å; L4-W82 HydrophobicContact CB-CZ3 3.72Å; L4-W82 HydrophobicContact CD2-CH2 3.66Å; L4-W82 HydrophobicContact CD2-CZ3 3.56Å; L4-W82 HydrophobicContact CG-CZ3 4.16Å; V78-W82 HydrophobicContact CG1-CZ2 4.36Å; Q79-W82 PolarHBondContact O-NE1 3.42Å; L80-W82 VanDerWaalsContact C-N 3.34Å; L80-W82 PolarHBondContact O-N 2.93Å; W82-P84 VanDerWaalsContact C-CD 3.49Å; W82-P84 WeakPolarHBondContact O-CD 3.22Å; W82-H127 HydrophobicContact CD2-CB 4.08Å; W82-H127 AromaticContact CD2-CD2 3.89Å; W82-H127 HydrophobicContact CH2-CB 4.24Å; W82-H127 HydrophobicContact CZ2-CB 3.61Å; W82-L523 HydrophobicContact CH2-CD2 3.72Å; W82-L523 HydrophobicContact CZ2-CD2 3.49Å; W82-L523 VanDerWaalsContact CZ2-CD2 3.49Å
83L52.4Low57.6Low85 Ų8584.9 Ų84.945%0.44546%0.461SS..  trans-115.980.3176.9-66.4179.1000112.6N81 G85 V86N81-L83 PolarHBondContact O-N 3.09Å; L83-G85 PolarHBondContact O-N 2.49Å; L83-G85 VanDerWaalsContact O-N 3.09Å; L83-V86 HydrophobicContact CB-CG2 4.23Å; L83-V86 HydrophobicContact CD1-CG2 4.3Å
84P39.4Very low54.4Low98 Ų9891.2 Ų91.264%0.63650%0.5SS*.THydrogen-bonded Turntrans-58.5114.9160.6-18.630.9000109.1W82W82-P84 VanDerWaalsContact C-CD 3.49Å; W82-P84 WeakPolarHBondContact O-CD 3.22Å
85G37Very low51.1Low74 Ų74100 Ų10076%0.76354%0.542SS*.THydrogen-bonded Turntrans134.6-21.9173.400000116.8L83 L87L83-G85 PolarHBondContact O-N 2.49Å; L83-G85 VanDerWaalsContact O-N 3.09Å; G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 2.96Å
86V33.3Very low48.1Very low119 Ų119105 Ų10572%0.72158%0.577SS**  trans-93.543.6-176.3-160.30000111.8L83L83-V86 HydrophobicContact CB-CG2 4.23Å; L83-V86 HydrophobicContact CD1-CG2 4.3Å
87L28Very low45.1Very low164 Ų164113.6 Ų113.686%0.85962%0.618SS**  trans-139.771.7179.1-106.2168.6000110.7G85G85-L87 VanDerWaalsContact C-N 3.26Å; G85-L87 PolarHBondContact O-N 2.96Å
88K26.2Very low42Very low194 Ų194115.4 Ų115.484%0.84364%0.641SS**  trans-172156.5162.5-103.5154.9-173.8-178.10109.1
89T24.9Very low39.1Very low140 Ų140121.5 Ų121.586%0.85968%0.679SS**SBendtrans8136.8174.780.40000120.6
90T28.4Very low36.4Very low139 Ų139125 Ų12585%0.85370%0.703SS**SBendtrans-161129.5139.116.60000107.4
91T29.4Very low34Very low118 Ų118131.1 Ų131.172%0.72474%0.736SS**  cis-137.9137.311.1-62.10000110Q93T91-Q93 PolarHBondContact O-N 2.84Å
92E28Very low32.1Very low186 Ų186134.9 Ų134.987%0.86976%0.755SS**  trans-87.3100.6168.4-70.9-177.1167.100110.5
93Q32.2Very low30.5Very low172 Ų172138.7 Ų138.780%0.80478%0.782SS**  trans-169.5155.8154.8-111.3145.989.700112.3T91T91-Q93 PolarHBondContact O-N 2.84Å
94T29.3Very low29.5Very low133 Ų133141.1 Ų141.182%0.81680%0.8SS**  trans54.989.5179.451.30000116.5
95E25.8Very low29.1Very low203 Ų203142.3 Ų142.395%0.94981%0.806SS**  trans-69.1123.9155-60.2178.9119.800110.1
96S31.3Very low28.9Very low106 Ų106148.4 Ų148.474%0.74181%0.811SS**  trans-153.588.4164.665.10000112.7
97Q29.1Very low28.8Very low199 Ų199152.5 Ų152.593%0.9382%0.819SS**  trans28.4109.1152.8-57.6-1789.300119.2
98C25.9Very low29Very low114 Ų114148 Ų14877%0.7781%0.812SS**  trans-150.4111.3135.2-168.10000110.9
99T26.3Very low29.4Very low129 Ų129144.8 Ų144.879%0.79181%0.814SS**  trans-121.7107.1174.350.20000109.9
100T28.8Very low29.9Very low119 Ų119141.6 Ų141.673%0.7381%0.809SS**  trans-11370.9177.1410000111.4L102T100-L102 PolarHBondContact O-N 3.09Å; T100-L102 VanDerWaalsContact O-N 3.1Å
101N29.1Very low30.1Very low143 Ų143144.1 Ų144.177%0.76581%0.808SS**  trans-65.6105.9165.7-73.8-40.4000109.4T103N101-T103 VanDerWaalsContact C-N 3.28Å; N101-T103 PolarHBondContact O-N 3.12Å
102L28.7Very low30.2Very low166 Ų166145 Ų14587%0.86981%0.808SS**  trans-76.876.3177.1-104.4161.7000111.4T100 V104T100-L102 PolarHBondContact O-N 3.09Å; T100-L102 VanDerWaalsContact O-N 3.1Å; L102-V104 PolarHBondContact O-N 3.32Å
103T27.6Very low30.3Very low112 Ų112142.5 Ų142.569%0.68781%0.805SS**  trans-73.5104.317450.40000111.2N101 T105N101-T103 VanDerWaalsContact C-N 3.28Å; N101-T103 PolarHBondContact O-N 3.12Å; T103-T105 PolarHBondContact O-N 3.08Å; T103-T105 VanDerWaalsContact O-N 3.17Å
104V31.6Very low30.4Very low136 Ų136140.3 Ų140.382%0.82481%0.805SS**  trans-75101.7171.5-179.60000109.8L102 K106L102-V104 PolarHBondContact O-N 3.32Å; V104-K106 PolarHBondContact O-N 3.07Å
105T29.5Very low30.6Very low122 Ų122137.2 Ų137.275%0.74880%0.8SS**  trans-81.3107.7178.453.90000111.6T103 K107T103-T105 PolarHBondContact O-N 3.08Å; T103-T105 VanDerWaalsContact O-N 3.17Å; T105-K107 PolarHBondContact O-N 2.87Å
106K33Very low30.8Very low203 Ų203134 Ų13488%0.88379%0.794SS**  trans-80.5102178.8-165.5173.7-173.3179.20111.4V104V104-K106 PolarHBondContact O-N 3.07Å
107K31.8Very low30.8Very low205 Ų205135.3 Ų135.389%0.89180%0.799SS**  trans-91.4137.6166.7-89.1-174.7173.9179.10110.5T105T105-K107 PolarHBondContact O-N 2.87Å
108G32.8Very low30.9Very low69 Ų69133.9 Ų133.971%0.71179%0.792SS**SBendtrans105.9100.116300000116.3
109S34.8Very low31Very low127 Ų127138 Ų13889%0.88880%0.796SS**  trans21.3107.5145.9-172.50000119.6
110G34.4Very low31.1Very low72 Ų72135.8 Ų135.874%0.74278%0.783SS**  trans-179.7136.3164.900000111.3
111F32.8Very low31.2Very low192 Ų192136.8 Ų136.884%0.84278%0.784SS**  trans-92.1139.7-168.3-80.8-110.3000113.9
112I32.3Very low31.4Very low138 Ų138138.9 Ų138.971%0.70879%0.787SS**  trans38.8120.6134.4-50.2-178.3000116.8
113T30.3Very low31.9Very low132 Ų132139.2 Ų139.281%0.8178%0.781SS**  -139.4153.157.440.60000115.2
114P33.1Very low32.6Very low126 Ų126141.3 Ų141.382%0.81878%0.783SS**  trans-96140.2166.735.6-30.2000112.5
115G33.3Very low33.6Very low69 Ų69137.9 Ų137.971%0.71176%0.757SS**  trans-145.5123.1174.300000112.1
116T30.8Very low35.2Very low134 Ų134139 Ų13982%0.82275%0.754SS**  trans1596.2169.9-47.90000117.9
117T30.5Very low37.2Very low135 Ų135131.2 Ų131.283%0.82872%0.721SS**  trans-87.3115.9161.242.70000110.2
118Q31.1Very low39.7Very low169 Ų169122.3 Ų122.379%0.7968%0.683SS**  trans-88.8111.5157.4-70.1-16620.500108.5T120Q118-T120 PolarHBondContact O-N 3.17Å
119K27.9Very low42.3Very low199 Ų199122 Ų12287%0.86567%0.667SS**  trans-83.5103.6159.5-78.8-173.8173.7-175.90107.8
120T29.4Very low44.9Very low84 Ų84118.3 Ų118.352%0.51563%0.634SS.*  trans-76.1129.6164.439.30000109.4Q118 F122Q118-T120 PolarHBondContact O-N 3.17Å; T120-F122 WeakPolarHBondContact O-CD2 3.35Å; T120-F122 PolarHBondContact O-N 2.85Å; T120-F122 WeakPolarHBondContact OG1-CE2 3.35Å
121D30.1Very low47.5Very low140 Ų140114.9 Ų114.975%0.74960%0.599SS**  trans-74.289.5178.6-87.4-48.4000110.8K123D121-K123 PolarHBondContact O-N 3.34Å
122F34.3Very low50.3Low187 Ų187105.9 Ų105.982%0.8256%0.559SS**  trans-66.822.6176.5-77.4-78.8000115T120 Q124T120-F122 WeakPolarHBondContact O-CD2 3.35Å; T120-F122 PolarHBondContact O-N 2.85Å; T120-F122 WeakPolarHBondContact OG1-CE2 3.35Å; F122-Q124 PolarHBondContact O-N 2.84Å
123K37.4Very low53.2Low173 Ų173100.3 Ų100.375%0.75253%0.533SS*.THydrogen-bonded Turntrans-76.61.8176.7-101.2-175.6173.4-178.90114.8D121D121-K123 PolarHBondContact O-N 3.34Å
124Q42.6Very low56.2Low155 Ų15594.2 Ų94.272%0.72450%0.495SS*.THydrogen-bonded Turntrans-91.2-10.7-163.8-162159-20.300115.1F122F122-Q124 PolarHBondContact O-N 2.84Å
125F54.2Low59.1Low65 Ų6593.9 Ų93.929%0.28548%0.481SS..  trans-14151.2-173.2-56.5-67.8000114.6L4 P6 I8 H127 L128L4-F125 HydrophobicContact CD2-CD1 4.4Å; L4-F125 HydrophobicContact CD2-CE1 4.23Å; P6-F125 HydrophobicContact CB-CD1 4.24Å; P6-F125 HydrophobicContact CB-CE1 3.67Å; P6-F125 HydrophobicContact CB-CZ 4.23Å; I8-F125 HydrophobicContact CG1-CE2 4.32Å; F125-H127 PolarHBondContact O-N 3.31Å; F125-L128 PolarHBondContact O-N 2.77Å; F125-L128 VanDerWaalsContact O-N 3.14Å
126E62.1Low62Low146 Ų14696 Ų9668%0.68247%0.468SS*.THydrogen-bonded Turntrans-56.2-19.6175.6-66.3-174.9168.600114.1Q79Q79-E126 PolarHBondContact NE2-O 2.74Å
127H74.4Confident65.1Low39 Ų3990.1 Ų90.118%0.18143%0.431CS..THydrogen-bonded Turntrans-90.4-5.3-178.4-56.8-44.6000115.5Q79 W82 F125Q79-H127 HydrophobicContact CB-CB 4.23Å; Q79-H127 PolarHBondContact N-O 3.25Å; Q79-H127 PolarHBondContact OE1-ND1 3.23Å; W82-H127 HydrophobicContact CD2-CB 4.08Å; W82-H127 AromaticContact CD2-CD2 3.89Å; W82-H127 HydrophobicContact CH2-CB 4.24Å; W82-H127 HydrophobicContact CZ2-CB 3.61Å; F125-H127 PolarHBondContact O-N 3.31Å
128L85.5Confident68.3Low17 Ų1791.1 Ų91.19%0.08943%0.426CS..EExtended strand (participates in β ladder)trans-138.8116.1-174.6-179.559.8000110.7P6 I8 W10 W76 R77 V78 F125P6-L128 HydrophobicContact CG-CD2 4.48Å; I8-L128 HydrophobicContact CD1-CD2 3.46Å; I8-L128 VanDerWaalsContact CD1-CD2 3.46Å; I8-L128 HydrophobicContact CD1-CG 4.37Å; W10-L128 HydrophobicContact CH2-CD1 4.09Å; W10-L128 HydrophobicContact CH2-CD2 3.54Å; W10-L128 HydrophobicContact CH2-CG 4.45Å; W10-L128 HydrophobicContact CZ2-CD2 3.69Å; W10-L128 HydrophobicContact CZ3-CD2 4.48Å; W76-L128 HydrophobicContact CB-CD1 3.9Å; R77-L128 WeakPolarHBondContact O-CA 3.41Å; V78-L128 HydrophobicContact CG2-CD1 3.94Å; F125-L128 PolarHBondContact O-N 2.77Å; F125-L128 VanDerWaalsContact O-N 3.14Å
129T86.3Confident71.4Confident63 Ų6387.7 Ų87.739%0.38741%0.408SS..EExtended strand (participates in β ladder)trans-119.1131.7-179.9-37.20000109.8W76 R77W76-T129 CarbonylContact C-O 3.48Å; W76-T129 WeakPolarHBondContact CA-O 3.47Å; R77-T129 PolarHBondContact N-O 2.84Å; R77-T129 PolarHBondContact O-N 3.37Å
130Y89.1Confident74.7Confident50 Ų5079.6 Ų79.620%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-65144.3168.3170.3-93.1000110.5R74 W76 A132 S133 I196 N197R74-Y130 HydrophobicContact CG-CE2 4.36Å; W76-Y130 HydrophobicContact CE3-CD2 4.22Å; W76-Y130 HydrophobicContact CH2-CD2 4.17Å; W76-Y130 HydrophobicContact CZ3-CD2 4.01Å; W76-Y130 HydrophobicContact CZ3-CG 4.49Å; Y130-A132 VanDerWaalsContact CZ-C 3.49Å; Y130-A132 VanDerWaalsContact OH-C 3.23Å; Y130-S133 VanDerWaalsContact OH-CB 3.27Å; Y130-S133 WeakPolarHBondContact OH-CB 3.43Å; Y130-S133 PolarHBondContact OH-N 3.36Å; Y130-S133 PolarHBondContact OH-OG 3.37Å; Y130-I196 HydrophobicContact CD1-CG2 3.88Å; Y130-I196 HydrophobicContact CE1-CB 4.41Å; Y130-I196 HydrophobicContact CE1-CG2 3.77Å; Y130-N197 WeakPolarHBondContact CE1-OD1 3.41Å; Y130-N197 PolarHBondContact OH-OD1 2.99Å
131L90.2Very high77.9Confident0 Ų075.6 Ų75.60%035%0.352CS..EExtended strand (participates in β ladder)trans-117.7-50.4179.8-62.6174.7000113.2R63 L75 R77 N197 S198 E199R63-L131 HydrophobicContact CG-CD1 3.78Å; L75-L131 HydrophobicContact CB-CB 4.06Å; L75-L131 WeakPolarHBondContact O-CA 3.44Å; L75-L131 WeakPolarHBondContact O-CB 3.43Å; L75-L131 PolarHBondContact O-N 2.92Å; R77-L131 HydrophobicContact CB-CD1 4.01Å; R77-L131 HydrophobicContact CB-CD2 3.87Å; R77-L131 HydrophobicContact CB-CG 4.03Å; L131-N197 CarbonylContact O-C 3.57Å; L131-N197 WeakPolarHBondContact O-CA 3.43Å; L131-S198 WeakPolarHBondContact CD2-OG 3.2Å; L131-S198 PolarHBondContact O-N 2.92Å; L131-E199 HydrophobicContact CB-CG 4.35Å; L131-E199 HydrophobicContact CD2-CG 4.36Å; L131-E199 PolarHBondContact O-N 2.9Å
132A91.7Very high81.2Confident2 Ų269.2 Ų69.22%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-163157.3-175.500000112.6R74 L75 Y130 L134 N197 E199R74-A132 WeakPolarHBondContact CA-O 3.3Å; L75-A132 HydrophobicContact CB-CB 4.35Å; L75-A132 HydrophobicContact CD1-CB 4.36Å; L75-A132 PolarHBondContact N-O 3.35Å; L75-A132 PolarHBondContact O-N 2.85Å; Y130-A132 VanDerWaalsContact CZ-C 3.49Å; Y130-A132 VanDerWaalsContact OH-C 3.23Å; A132-L134 HydrophobicContact CB-CD2 4.26Å; A132-N197 WeakPolarHBondContact CA-OD1 3.43Å; A132-E199 WeakPolarHBondContact CB-O 3.34Å
133S92.5Very high84.2Confident21 Ų2160.3 Ų60.315%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-115.7128.6165.1-72.20000109.2R74 Y130 N197R74-S133 WeakPolarHBondContact CG-OG 3.48Å; Y130-S133 VanDerWaalsContact OH-CB 3.27Å; Y130-S133 WeakPolarHBondContact OH-CB 3.43Å; Y130-S133 PolarHBondContact OH-N 3.36Å; Y130-S133 PolarHBondContact OH-OG 3.37Å; S133-N197 PolarHBondContact N-OD1 2.82Å
134L94.7Very high87.1Confident5 Ų552.1 Ų52.13%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-102.985.7-178.8-42.6-177.1000108.5V73 L75 A132 R136 L153 W165 W201V73-L134 HydrophobicContact CB-CB 4.12Å; V73-L134 HydrophobicContact CB-CD1 4.18Å; V73-L134 HydrophobicContact CB-CG 4.32Å; V73-L134 HydrophobicContact CG1-CD1 4.12Å; V73-L134 PolarHBondContact N-O 2.65Å; V73-L134 WeakPolarHBondContact O-CG 3.16Å; V73-L134 PolarHBondContact O-N 3.19Å; L75-L134 HydrophobicContact CD1-CD1 4.25Å; L75-L134 HydrophobicContact CD1-CD2 4.33Å; L75-L134 HydrophobicContact CG-CD1 4.36Å; A132-L134 HydrophobicContact CB-CD2 4.26Å; L134-R136 PolarHBondContact O-N 2.94Å; L134-L153 HydrophobicContact CD1-CD2 3.85Å; L134-W165 HydrophobicContact CB-CD2 4.23Å; L134-W165 HydrophobicContact CB-CE3 4.16Å; L134-W165 HydrophobicContact CB-CH2 3.59Å; L134-W165 HydrophobicContact CB-CZ2 3.69Å; L134-W165 HydrophobicContact CB-CZ3 3.86Å; L134-W165 HydrophobicContact CD1-CB 4.38Å; L134-W165 HydrophobicContact CD1-CD2 3.78Å; L134-W165 HydrophobicContact CD1-CE3 4.18Å; L134-W165 HydrophobicContact CD1-CG 3.87Å; L134-W165 HydrophobicContact CD2-CE3 4.46Å; L134-W201 HydrophobicContact CD2-CB 3.5Å; L134-W201 VanDerWaalsContact CD2-CB 3.5Å; L134-W201 HydrophobicContact CD2-CG 4.05Å
135K93.1Very high89.7Confident118 Ų11845.5 Ų45.551%0.51321%0.211SC..EExtended strand (participates in β ladder)trans-87.198.3-178.8-70.2178.5167.3-179.80110.2V72 D193V72-K135 HydrophobicContact CG1-CG 4.3Å; V72-K135 HydrophobicContact CG2-CG 4.07Å; K135-D193 WeakPolarHBondContact CE-OD2 3.29Å; K135-D193 IonicContact NZ-OD2 2.91Å; K135-D193 PolarHBondContact NZ-OD2 2.83Å
136R94.6Very high91.7Very high114 Ų11443.1 Ų43.143%0.4320%0.2SC..  trans-158.5-16.7174.2-165.6167.6-177.8-97.71.1115.6L134 I163 W165 S206L134-R136 PolarHBondContact O-N 2.94Å; R136-I163 HydrophobicContact CB-CD1 3.9Å; R136-I163 HydrophobicContact CG-CD1 3.86Å; R136-W165 HydrophobicContact CB-CH2 3.46Å; R136-W165 VanDerWaalsContact CB-CH2 3.46Å; R136-W165 HydrophobicContact CB-CZ2 4.01Å; R136-W165 HydrophobicContact CB-CZ3 4.46Å; R136-W165 HydrophobicContact CG-CH2 4.46Å; R136-S206 PolarHBondContact NH1-OG 3.23Å
137H96.2Very high93.3Very high11 Ų1136.3 Ų36.35%0.05117%0.169CC..  trans-74.6138.9168.6-75.5-77.2000109.5V141 S155 D159H137-V141 HydrophobicContact CB-CG2 3.63Å; H137-V141 VanDerWaalsContact CD2-CG2 3.46Å; H137-V141 WeakPolarHBondContact CD2-CG2 3.36Å; H137-S155 WeakPolarHBondContact NE2-CB 3.41Å; H137-S155 PolarHBondContact NE2-OG 3.47Å; H137-D159 WeakPolarHBondContact CA-OD2 3.36Å; H137-D159 WeakPolarHBondContact CB-OD2 3.33Å; H137-D159 IonicContact CE1-OD1 3.23Å; H137-D159 IonicContact CE1-OD2 3.8Å; H137-D159 IonicContact CG-OD2 2.89Å; H137-D159 VanDerWaalsContact ND1-CG 3.3Å; H137-D159 IonicContact ND1-OD1 3.61Å; H137-D159 PolarHBondContact ND1-OD1 2.9Å; H137-D159 VanDerWaalsContact ND1-OD1 3.12Å; H137-D159 IonicContact ND1-OD2 3.12Å; H137-D159 PolarHBondContact ND1-OD2 2.97Å
138E96.3Very high94Very high156 Ų15636.2 Ų36.273%0.72917%0.172SC*.SBendtrans-88.5-8.6-178.3-66.8177.7-178.600112.7N71 D159N71-E138 PolarHBondContact ND2-O 3.01Å; E138-D159 HydrophobicContact CB-CB 4.42Å; E138-D159 PolarHBondContact N-OD2 2.95Å
139K96.8Very high94Very high96 Ų9636 Ų3642%0.41717%0.171SC..SBendtrans-147.3174.6-174.9-71.4-173.6-177.1178.60110.5N71 D158 D159 D213N71-K139 WeakPolarHBondContact CA-O 3.48Å; N71-K139 WeakPolarHBondContact CB-O 3.31Å; N71-K139 VanDerWaalsContact CG-CA 3.48Å; N71-K139 WeakPolarHBondContact OD1-CA 3.36Å; N71-K139 PolarHBondContact OD1-O 3.27Å; K139-D158 HydrophobicContact CB-CB 3.93Å; K139-D158 VanDerWaalsContact CD-C 3.46Å; K139-D158 HydrophobicContact CD-CB 3.65Å; K139-D158 VanDerWaalsContact CD-O 3.24Å; K139-D158 WeakPolarHBondContact CD-O 3.42Å; K139-D158 WeakPolarHBondContact CE-O 3.49Å; K139-D158 PolarHBondContact NZ-O 2.82Å; K139-D159 HydrophobicContact CB-CB 4.09Å; K139-D159 HydrophobicContact CD-CB 4.44Å; K139-D159 HydrophobicContact CG-CB 4.36Å; K139-D213 IonicContact NZ-OD1 3.98Å
140P96.5Very high94.2Very high29 Ų2933 Ų3319%0.18815%0.153CC..  trans-53.8145.2-177.7-34.240.4000115.4Y17 N71 G157 D158Y17-P140 HydrophobicContact CE2-CB 4.03Å; N71-P140 VanDerWaalsContact OD1-CD 3.29Å; N71-P140 WeakPolarHBondContact OD1-CD 3.35Å; P140-G157 VanDerWaalsContact O-CA 3.22Å; P140-G157 WeakPolarHBondContact O-CA 3.08Å; P140-D158 PolarHBondContact O-N 3.12Å
141V98Very high94.2Very high0 Ų031.6 Ų31.60%015%0.149CC..  trans-105.496.9-176.4-169.30000109.7A67 G68 V73 H137 V143 A156A67-V141 CarbonylContact C-O 3.59Å; A67-V141 HydrophobicContact CB-CB 3.99Å; A67-V141 HydrophobicContact CB-CG1 3.77Å; G68-V141 PolarHBondContact N-O 2.98Å; G68-V141 PolarHBondContact O-N 2.89Å; V73-V141 HydrophobicContact CG2-CB 4.47Å; V73-V141 HydrophobicContact CG2-CG1 3.92Å; V73-V141 HydrophobicContact CG2-CG2 4.38Å; H137-V141 HydrophobicContact CB-CG2 3.63Å; H137-V141 VanDerWaalsContact CD2-CG2 3.46Å; H137-V141 WeakPolarHBondContact CD2-CG2 3.36Å; V141-V143 VanDerWaalsContact C-N 3.33Å; V141-V143 PolarHBondContact O-N 3.34Å; V141-A156 CarbonylContact C-O 3.53Å; V141-A156 WeakPolarHBondContact CG1-O 2.91Å
142N97.8Very high94.4Very high7 Ų732.6 Ų32.64%0.03715%0.153CC..  trans-64.8-32.9-176.7-68.7-38.9000113.8Y17 S18 A156 D158 I214 F351 R353Y17-N142 WeakPolarHBondContact CB-O 3.38Å; S18-N142 WeakPolarHBondContact CB-O 3.22Å; N142-A156 PolarHBondContact N-O 3.27Å; N142-D158 PolarHBondContact ND2-OD1 2.8Å; N142-I214 VanDerWaalsContact CB-O 3.29Å; N142-I214 WeakPolarHBondContact CB-O 3.39Å; N142-I214 PolarHBondContact ND2-O 2.78Å; N142-F351 HydrophobicContact CB-CE1 4.21Å; N142-R353 PolarHBondContact O-NH2 3.15Å
143V98.2Very high94.6Very high0 Ų032.5 Ų32.50%015%0.152CC..EExtended strand (participates in β ladder)trans-142.7140.6-17163.10000113.3V141 R145 S155 A156 V217V141-V143 VanDerWaalsContact C-N 3.33Å; V141-V143 PolarHBondContact O-N 3.34Å; V143-R145 HydrophobicContact CG2-CG 4.13Å; V143-R145 VanDerWaalsContact CG2-CZ 3.48Å; V143-S155 WeakPolarHBondContact O-CA 3.46Å; V143-A156 HydrophobicContact CG1-CB 3.79Å; V143-A156 PolarHBondContact N-O 3.14Å; V143-A156 VanDerWaalsContact N-O 3.08Å; V143-A156 PolarHBondContact O-N 2.97Å; V143-V217 HydrophobicContact CG1-CB 4.45Å; V143-V217 HydrophobicContact CG1-CG1 4.04Å; V143-V217 HydrophobicContact CG1-CG2 3.96Å; V143-V217 HydrophobicContact CG2-CG2 3.98Å
144V98.2Very high94.9Very high0 Ų031.5 Ų31.50%015%0.145CC..EExtended strand (participates in β ladder)trans-136137.9168.2650000110.4S18 A65 A67 V73 L153 A154S18-V144 PolarHBondContact OG-N 3.36Å; S18-V144 VanDerWaalsContact OG-N 3.08Å; S18-V144 PolarHBondContact OG-O 3.2Å; A65-V144 HydrophobicContact CB-CG1 4.19Å; A65-V144 HydrophobicContact CB-CG2 3.79Å; A67-V144 HydrophobicContact CB-CB 3.83Å; A67-V144 HydrophobicContact CB-CG1 3.7Å; V73-V144 HydrophobicContact CG1-CG2 3.94Å; V144-L153 HydrophobicContact CG2-CD1 3.7Å; V144-L153 HydrophobicContact CG2-CD2 3.94Å; V144-L153 HydrophobicContact CG2-CG 3.81Å; V144-A154 CarbonylContact C-O 3.49Å; V144-A154 VanDerWaalsContact CA-O 3.31Å; V144-A154 WeakPolarHBondContact CA-O 3.28Å
145R97.9Very high95.1Very high16 Ų1631.3 Ų31.36%0.0614%0.144CC..EExtended strand (participates in β ladder)trans-142.2131-179.7-57.6-65.4171.7-127.41.5112.3S18 D20 V143 A154 D216 V217 W219 R353 D502S18-R145 PolarHBondContact OG-NH1 2.85Å; D20-R145 WeakPolarHBondContact OD2-CA 3.29Å; V143-R145 HydrophobicContact CG2-CG 4.13Å; V143-R145 VanDerWaalsContact CG2-CZ 3.48Å; R145-A154 PolarHBondContact N-O 3.16Å; R145-A154 PolarHBondContact O-N 3.29Å; R145-D216 IonicContact CZ-OD1 3.5Å; R145-D216 IonicContact NE-OD1 2.71Å; R145-D216 IonicContact NH2-OD1 3.44Å; R145-D216 PolarHBondContact NH2-OD1 3.01Å; R145-V217 HydrophobicContact CB-CG2 4.4Å; R145-V217 HydrophobicContact CG-CG2 3.77Å; R145-V217 VanDerWaalsContact CG-O 3.32Å; R145-V217 WeakPolarHBondContact CG-O 3.27Å; R145-V217 PolarHBondContact NE-O 2.89Å; R145-W219 PolarHBondContact O-NE1 2.81Å; R145-W219 VanDerWaalsContact O-NE1 3.11Å; R145-R353 VanDerWaalsContact NH2-CD 3.33Å; R145-R353 VanDerWaalsContact NH2-NE 3.15Å; R145-D502 IonicContact CZ-OD2 2.65Å; R145-D502 IonicContact NH1-OD2 3.66Å; R145-D502 PolarHBondContact NH1-OD2 2.86Å; R145-D502 IonicContact NH2-OD2 3.66Å; R145-D502 PolarHBondContact NH2-OD2 2.95Å
146W96.7Very high95.3Very high15 Ų1525.7 Ų25.76%0.05712%0.12CC..EExtended strand (participates in β ladder)trans-69.5144.6166-72.1101000111.3D20 Q22 R63 A65 L75 G150 L153 W201 W219D20-W146 PolarHBondContact O-NE1 3.14Å; D20-W146 PolarHBondContact OD2-N 2.92Å; Q22-W146 HydrophobicContact CB-CD2 3.76Å; Q22-W146 HydrophobicContact CB-CE3 4.23Å; Q22-W146 HydrophobicContact CB-CG 4.11Å; Q22-W146 HydrophobicContact CB-CZ2 4.07Å; Q22-W146 HydrophobicContact CG-CD2 3.78Å; Q22-W146 HydrophobicContact CG-CE3 3.74Å; Q22-W146 HydrophobicContact CG-CG 4.35Å; Q22-W146 HydrophobicContact CG-CH2 4.34Å; Q22-W146 HydrophobicContact CG-CZ2 4.37Å; Q22-W146 HydrophobicContact CG-CZ3 4.03Å; R63-W146 HydrophobicContact CB-CH2 4.13Å; R63-W146 HydrophobicContact CB-CZ2 3.65Å; A65-W146 HydrophobicContact CB-CZ2 4.16Å; L75-W146 HydrophobicContact CD2-CH2 4.42Å; L75-W146 HydrophobicContact CD2-CZ2 4.11Å; W146-G150 WeakPolarHBondContact CZ3-O 3.31Å; W146-L153 HydrophobicContact CD2-CD1 3.52Å; W146-L153 HydrophobicContact CE3-CB 4.38Å; W146-L153 HydrophobicContact CE3-CD1 3.75Å; W146-L153 HydrophobicContact CG-CD1 3.96Å; W146-L153 HydrophobicContact CH2-CD1 4.12Å; W146-L153 HydrophobicContact CZ2-CD1 3.91Å; W146-L153 HydrophobicContact CZ3-CB 4.26Å; W146-L153 HydrophobicContact CZ3-CD1 4.04Å; W146-W201 AromaticContact CH2-CH2 3.72Å; W146-W201 HydrophobicContact CH2-CH2 3.72Å; W146-W201 AromaticContact CH2-CZ2 3.9Å; W146-W201 HydrophobicContact CH2-CZ2 3.9Å; W146-W201 AromaticContact CZ3-CH2 3.55Å; W146-W201 HydrophobicContact CZ3-CH2 3.55Å; W146-W201 HydrophobicContact CZ3-CZ2 4.19Å; W146-W201 HydrophobicContact CZ3-CZ3 4.25Å; W146-W219 PolarHBondContact O-NE1 2.95Å
147S94.3Very high95.4Very high3 Ų320.2 Ų20.22%0.02110%0.099CC..  trans-72.8153.7166.884.60000110.2S149 G150 Y152 E223S147-S149 VanDerWaalsContact C-N 3.3Å; S147-S149 PolarHBondContact O-N 2.98Å; S147-S149 PolarHBondContact OG-OG 3.38Å; S147-G150 VanDerWaalsContact O-CA 3.29Å; S147-G150 WeakPolarHBondContact O-CA 3.23Å; S147-G150 PolarHBondContact O-N 2.72Å; S147-Y152 WeakPolarHBondContact CB-O 3.23Å; S147-Y152 PolarHBondContact N-O 2.89Å; S147-Y152 PolarHBondContact OG-N 2.94Å; S147-Y152 PolarHBondContact OG-O 2.87Å; S147-E223 WeakPolarHBondContact CB-OE1 3.31Å; S147-E223 PolarHBondContact OG-OE1 3.05Å
148P90Very high95.5Very high37 Ų3721.2 Ų21.224%0.2411%0.105CC..THydrogen-bonded Turntrans-49.3-38.7178.1-31.134000116.6L25 G150 E223L25-P148 PolarHBondContact N-O 3.48Å; P148-G150 VanDerWaalsContact C-N 3.26Å; P148-E223 HydrophobicContact CB-CG 4.38Å; P148-E223 VanDerWaalsContact CD-OE1 3.25Å; P148-E223 WeakPolarHBondContact CD-OE1 3.33Å; P148-E223 HydrophobicContact CG-CG 4.25Å
149S85.9Confident95.5Very high12 Ų1214.4 Ų14.48%0.0847%0.073CC..THydrogen-bonded Turntrans-73.1-20.4173.565.30000112.9R24 S147 D151 E223R24-S149 VanDerWaalsContact CG-O 3.25Å; R24-S149 WeakPolarHBondContact CG-O 3.32Å; R24-S149 PolarHBondContact NE-O 2.91Å; S147-S149 VanDerWaalsContact C-N 3.3Å; S147-S149 PolarHBondContact O-N 2.98Å; S147-S149 PolarHBondContact OG-OG 3.38Å; S149-D151 PolarHBondContact O-N 2.87Å; S149-D151 PolarHBondContact OG-N 2.82Å; S149-E223 WeakPolarHBondContact CB-OE1 3.16Å; S149-E223 VanDerWaalsContact CB-OE2 3.24Å; S149-E223 WeakPolarHBondContact CB-OE2 3.39Å; S149-E223 PolarHBondContact N-OE1 2.83Å; S149-E223 PolarHBondContact OG-OE1 2.75Å; S149-E223 PolarHBondContact OG-OE2 3.04Å
150G89.2Confident95.6Very high0 Ų011.6 Ų11.60%06%0.063CC..SBendtrans73.16.4-171.700000114.3Q22 W146 S147 P148Q22-G150 PolarHBondContact NE2-O 3.14Å; W146-G150 WeakPolarHBondContact CZ3-O 3.31Å; S147-G150 VanDerWaalsContact O-CA 3.29Å; S147-G150 WeakPolarHBondContact O-CA 3.23Å; S147-G150 PolarHBondContact O-N 2.72Å; P148-G150 VanDerWaalsContact C-N 3.26Å
151D88.9Confident95.6Very high21 Ų2112.1 Ų12.111%0.1126%0.062CC..SBendtrans-86-15.5-177-63.7-28.9000112.8R24 S149 S245 S247R24-D151 IonicContact CZ-OD1 3.26Å; R24-D151 IonicContact NE-OD1 2.8Å; R24-D151 PolarHBondContact NE-OD1 3.1Å; R24-D151 IonicContact NH2-OD1 3.34Å; R24-D151 PolarHBondContact NH2-OD1 3.4Å; S149-D151 PolarHBondContact O-N 2.87Å; S149-D151 PolarHBondContact OG-N 2.82Å; D151-S245 WeakPolarHBondContact OD2-CB 3.13Å; D151-S245 PolarHBondContact OD2-OG 3.48Å; D151-S247 VanDerWaalsContact OD2-CB 3.27Å; D151-S247 WeakPolarHBondContact OD2-CB 3.45Å; D151-S247 PolarHBondContact OD2-OG 3.17Å
152Y94.3Very high95.6Very high22 Ų2212.1 Ų12.19%0.0866%0.062CC..EExtended strand (participates in β ladder)trans-122.5155.3171.6-62.2-73.4000112.2S147 I164 W165 L242 I243S147-Y152 WeakPolarHBondContact CB-O 3.23Å; S147-Y152 PolarHBondContact N-O 2.89Å; S147-Y152 PolarHBondContact OG-N 2.94Å; S147-Y152 PolarHBondContact OG-O 2.87Å; Y152-I164 HydrophobicContact CD1-CG2 4.14Å; Y152-I164 HydrophobicContact CG-CG2 4.4Å; Y152-W165 WeakPolarHBondContact CA-O 3.4Å; Y152-L242 HydrophobicContact CD1-CD1 4.46Å; Y152-L242 HydrophobicContact CD1-CD2 4.39Å; Y152-L242 HydrophobicContact CD2-CD1 3.91Å; Y152-L242 HydrophobicContact CE1-CD2 4.07Å; Y152-L242 HydrophobicContact CE2-CB 4.02Å; Y152-L242 HydrophobicContact CE2-CD1 4.07Å; Y152-L242 HydrophobicContact CE2-CG 4.46Å; Y152-L242 HydrophobicContact CG-CD1 4.11Å; Y152-I243 PolarHBondContact OH-O 2.93Å
153L96.9Very high95.6Very high0 Ų011.9 Ų11.90%06%0.061CC..EExtended strand (participates in β ladder)trans-128.8131.5174.4-172.177.6000108.9A65 V73 L75 L134 V144 W146 I164 W165 W201A65-L153 HydrophobicContact CB-CD1 3.87Å; A65-L153 HydrophobicContact CB-CD2 4.29Å; V73-L153 HydrophobicContact CG1-CD2 4.09Å; L75-L153 HydrophobicContact CD2-CD2 3.87Å; L134-L153 HydrophobicContact CD1-CD2 3.85Å; V144-L153 HydrophobicContact CG2-CD1 3.7Å; V144-L153 HydrophobicContact CG2-CD2 3.94Å; V144-L153 HydrophobicContact CG2-CG 3.81Å; W146-L153 HydrophobicContact CD2-CD1 3.52Å; W146-L153 HydrophobicContact CE3-CB 4.38Å; W146-L153 HydrophobicContact CE3-CD1 3.75Å; W146-L153 HydrophobicContact CG-CD1 3.96Å; W146-L153 HydrophobicContact CH2-CD1 4.12Å; W146-L153 HydrophobicContact CZ2-CD1 3.91Å; W146-L153 HydrophobicContact CZ3-CB 4.26Å; W146-L153 HydrophobicContact CZ3-CD1 4.04Å; L153-I164 CarbonylContact O-C 3.56Å; L153-I164 WeakPolarHBondContact O-CA 3.49Å; L153-W165 HydrophobicContact CB-CB 4.28Å; L153-W165 PolarHBondContact N-O 2.88Å; L153-W165 VanDerWaalsContact N-O 3.08Å; L153-W165 PolarHBondContact O-N 2.53Å; L153-W201 HydrophobicContact CB-CZ3 4.39Å
154A98Very high95.5Very high0 Ų011.9 Ų11.90%06%0.061CC..EExtended strand (participates in β ladder)trans-103.7134.6171.600000110V144 R145 I163 I164 V217 W219 L226V144-A154 CarbonylContact C-O 3.49Å; V144-A154 VanDerWaalsContact CA-O 3.31Å; V144-A154 WeakPolarHBondContact CA-O 3.28Å; R145-A154 PolarHBondContact N-O 3.16Å; R145-A154 PolarHBondContact O-N 3.29Å; A154-I163 WeakPolarHBondContact CA-O 3.5Å; A154-I164 HydrophobicContact CB-CD1 3.73Å; A154-V217 HydrophobicContact CB-CG2 4.36Å; A154-W219 HydrophobicContact CB-CZ2 3.71Å; A154-L226 HydrophobicContact CB-CD1 4.03Å
155S98.5Very high95.4Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-129.4145.6169.562.10000111.2H137 V143 I162 I163 W165H137-S155 WeakPolarHBondContact NE2-CB 3.41Å; H137-S155 PolarHBondContact NE2-OG 3.47Å; V143-S155 WeakPolarHBondContact O-CA 3.46Å; S155-I162 CarbonylContact O-C 3.52Å; S155-I162 VanDerWaalsContact O-CA 3.29Å; S155-I162 WeakPolarHBondContact O-CA 3.23Å; S155-I162 WeakPolarHBondContact O-CG2 3.49Å; S155-I163 PolarHBondContact N-O 2.88Å; S155-I163 PolarHBondContact O-N 2.86Å; S155-W165 PolarHBondContact OG-NE1 2.82Å
156A98.4Very high95.2Very high0 Ų012.1 Ų12.10%06%0.064CC..EExtended strand (participates in β ladder)trans-151.3155.8177.100000112.1V141 N142 V143 F161 I162 I214 V217V141-A156 CarbonylContact C-O 3.53Å; V141-A156 WeakPolarHBondContact CG1-O 2.91Å; N142-A156 PolarHBondContact N-O 3.27Å; V143-A156 HydrophobicContact CG1-CB 3.79Å; V143-A156 PolarHBondContact N-O 3.14Å; V143-A156 VanDerWaalsContact N-O 3.08Å; V143-A156 PolarHBondContact O-N 2.97Å; A156-F161 WeakPolarHBondContact CA-O 3.49Å; A156-I162 HydrophobicContact CB-CB 4.32Å; A156-I162 HydrophobicContact CB-CG1 3.93Å; A156-I162 HydrophobicContact CB-CG2 4.28Å; A156-I214 HydrophobicContact CB-CB 4.02Å; A156-I214 HydrophobicContact CB-CD1 4.3Å; A156-I214 HydrophobicContact CB-CG2 3.68Å; A156-V217 HydrophobicContact CB-CG1 3.97Å
157G97.2Very high94.9Very high0 Ų013.4 Ų13.40%07%0.072CC..  trans-165.3-154.3-174.200000114.9P140 D159 I214P140-G157 VanDerWaalsContact O-CA 3.22Å; P140-G157 WeakPolarHBondContact O-CA 3.08Å; G157-D159 PolarHBondContact O-N 2.77Å; G157-I214 PolarHBondContact O-N 2.86Å; G157-I214 VanDerWaalsContact O-N 3.13Å
158D97.7Very high94.4Very high32 Ų3215 Ų1517%0.1718%0.079CC..THydrogen-bonded Turntrans-76.5-11-173-57.2-16.5000112.8K139 P140 N142 L160 D213K139-D158 HydrophobicContact CB-CB 3.93Å; K139-D158 VanDerWaalsContact CD-C 3.46Å; K139-D158 HydrophobicContact CD-CB 3.65Å; K139-D158 VanDerWaalsContact CD-O 3.24Å; K139-D158 WeakPolarHBondContact CD-O 3.42Å; K139-D158 WeakPolarHBondContact CE-O 3.49Å; K139-D158 PolarHBondContact NZ-O 2.82Å; P140-D158 PolarHBondContact O-N 3.12Å; N142-D158 PolarHBondContact ND2-OD1 2.8Å; D158-L160 PolarHBondContact O-N 3.4Å; D158-D213 VanDerWaalsContact CA-OD1 3.24Å; D158-D213 WeakPolarHBondContact CA-OD1 3.37Å; D158-D213 HydrophobicContact CB-CB 4.34Å; D158-D213 WeakPolarHBondContact CB-OD1 3.22Å; D158-D213 VanDerWaalsContact O-OD1 3.12Å
159D97.1Very high94Very high12 Ų1215.2 Ų15.26%0.0648%0.08CC..THydrogen-bonded Turntrans-81517866.3-1.9000113.6H137 E138 K139 G157 F161H137-D159 WeakPolarHBondContact CA-OD2 3.36Å; H137-D159 WeakPolarHBondContact CB-OD2 3.33Å; H137-D159 IonicContact CE1-OD1 3.23Å; H137-D159 IonicContact CE1-OD2 3.8Å; H137-D159 IonicContact CG-OD2 2.89Å; H137-D159 VanDerWaalsContact ND1-CG 3.3Å; H137-D159 IonicContact ND1-OD1 3.61Å; H137-D159 PolarHBondContact ND1-OD1 2.9Å; H137-D159 VanDerWaalsContact ND1-OD1 3.12Å; H137-D159 IonicContact ND1-OD2 3.12Å; H137-D159 PolarHBondContact ND1-OD2 2.97Å; E138-D159 HydrophobicContact CB-CB 4.42Å; E138-D159 PolarHBondContact N-OD2 2.95Å; K139-D159 HydrophobicContact CB-CB 4.09Å; K139-D159 HydrophobicContact CD-CB 4.44Å; K139-D159 HydrophobicContact CG-CB 4.36Å; G157-D159 PolarHBondContact O-N 2.77Å; D159-F161 HydrophobicContact CB-CD2 4.08Å; D159-F161 WeakPolarHBondContact O-CD2 3.41Å; D159-F161 PolarHBondContact O-N 2.99Å; D159-F161 PolarHBondContact OD1-N 3.35Å; D159-F161 VanDerWaalsContact OD1-N 3.1Å
160L97.4Very high93.2Very high37 Ų3716.5 Ų16.519%0.1949%0.087CC..SBendtrans66.57.4-179.5-37.7-177.8000114D158 L211 E212D158-L160 PolarHBondContact O-N 3.4Å; L160-L211 WeakPolarHBondContact CD1-O 3.46Å; L160-E212 VanDerWaalsContact CD2-CA 3.42Å; L160-E212 WeakPolarHBondContact CD2-O 3.03Å
161F96.8Very high92Very high40 Ų4021.7 Ų21.718%0.17512%0.119CC..EExtended strand (participates in β ladder)trans-97.5145.5178.3-71.1-79.7000111.6A156 D159 I163 R208A156-F161 WeakPolarHBondContact CA-O 3.49Å; D159-F161 HydrophobicContact CB-CD2 4.08Å; D159-F161 WeakPolarHBondContact O-CD2 3.41Å; D159-F161 PolarHBondContact O-N 2.99Å; D159-F161 PolarHBondContact OD1-N 3.35Å; D159-F161 VanDerWaalsContact OD1-N 3.1Å; F161-I163 HydrophobicContact CB-CG1 4.39Å; F161-R208 HydrophobicContact CD1-CB 4.02Å; F161-R208 HydrophobicContact CD1-CG 4.26Å; F161-R208 HydrophobicContact CE1-CB 3.96Å; F161-R208 HydrophobicContact CE1-CG 4.01Å
162I98Very high90.5Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-110.4122.9156.9-46.5177.7000106.9S155 A156 I164 L207 I214 V217 L226 W238S155-I162 CarbonylContact O-C 3.52Å; S155-I162 VanDerWaalsContact O-CA 3.29Å; S155-I162 WeakPolarHBondContact O-CA 3.23Å; S155-I162 WeakPolarHBondContact O-CG2 3.49Å; A156-I162 HydrophobicContact CB-CB 4.32Å; A156-I162 HydrophobicContact CB-CG1 3.93Å; A156-I162 HydrophobicContact CB-CG2 4.28Å; I162-I164 HydrophobicContact CG2-CD1 4.19Å; I162-L207 HydrophobicContact CB-CB 4.02Å; I162-L207 HydrophobicContact CB-CD1 4.05Å; I162-L207 HydrophobicContact CB-CG 4.17Å; I162-L207 HydrophobicContact CD1-CD1 4.31Å; I162-L207 HydrophobicContact CG2-CD1 4.15Å; I162-L207 PolarHBondContact N-O 2.88Å; I162-L207 PolarHBondContact O-N 2.84Å; I162-I214 HydrophobicContact CD1-CD1 4.31Å; I162-I214 HydrophobicContact CG1-CD1 3.66Å; I162-V217 HydrophobicContact CD1-CG1 4.25Å; I162-L226 HydrophobicContact CD1-CD2 3.95Å; I162-L226 HydrophobicContact CG2-CD2 3.68Å; I162-W238 HydrophobicContact CD1-CZ2 3.88Å
163I97.7Very high88.3Confident2 Ų232.4 Ų32.41%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-106128.8177-52.8178.6000108.1R136 A154 S155 F161 W165 P203R136-I163 HydrophobicContact CB-CD1 3.9Å; R136-I163 HydrophobicContact CG-CD1 3.86Å; A154-I163 WeakPolarHBondContact CA-O 3.5Å; S155-I163 PolarHBondContact N-O 2.88Å; S155-I163 PolarHBondContact O-N 2.86Å; F161-I163 HydrophobicContact CB-CG1 4.39Å; I163-W165 HydrophobicContact CB-CZ2 4.22Å; I163-W165 HydrophobicContact CD1-CZ2 4.08Å; I163-W165 HydrophobicContact CG2-CD2 3.88Å; I163-W165 VanDerWaalsContact CG2-CE2 3.43Å; I163-W165 HydrophobicContact CG2-CE3 4.48Å; I163-W165 HydrophobicContact CG2-CG 4.31Å; I163-W165 HydrophobicContact CG2-CH2 4.38Å; I163-W165 HydrophobicContact CG2-CZ2 3.72Å; I163-P203 HydrophobicContact CG2-CB 3.62Å
164I97.1Very high86.5Confident0 Ų035.9 Ų35.90%021%0.213CC..EExtended strand (participates in β ladder)trans-102.1123.2170.5-47.1-58.9000107.6Y152 L153 A154 I162 P203 C204 R205 L207 W219 L226 L240 L242Y152-I164 HydrophobicContact CD1-CG2 4.14Å; Y152-I164 HydrophobicContact CG-CG2 4.4Å; L153-I164 CarbonylContact O-C 3.56Å; L153-I164 WeakPolarHBondContact O-CA 3.49Å; A154-I164 HydrophobicContact CB-CD1 3.73Å; I162-I164 HydrophobicContact CG2-CD1 4.19Å; I164-P203 CarbonylContact O-C 3.58Å; I164-P203 WeakPolarHBondContact O-CA 3.39Å; I164-C204 PolarHBondContact O-N 3.25Å; I164-C204 PolarHBondContact O-SG 2.74Å; I164-C204 VanDerWaalsContact O-SG 3.35Å; I164-R205 HydrophobicContact CB-CB 3.99Å; I164-R205 HydrophobicContact CG1-CB 3.96Å; I164-R205 PolarHBondContact N-O 2.81Å; I164-R205 PolarHBondContact O-N 2.93Å; I164-L207 HydrophobicContact CD1-CD1 4.43Å; I164-W219 HydrophobicContact CD1-CH2 4.1Å; I164-W219 HydrophobicContact CD1-CZ2 4.2Å; I164-W219 HydrophobicContact CG2-CH2 3.78Å; I164-W219 HydrophobicContact CG2-CZ2 4.23Å; I164-L226 HydrophobicContact CD1-CD2 4.42Å; I164-L240 HydrophobicContact CD1-CD1 4.49Å; I164-L242 HydrophobicContact CG2-CD1 4.41Å; I164-L242 HydrophobicContact CG2-CD2 4.36Å
165W96Very high84.6Confident8 Ų840.3 Ų40.33%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-106.8147.5-178.5-50.785.8000111L134 R136 Y152 L153 S155 I163 W201 I202 P203L134-W165 HydrophobicContact CB-CD2 4.23Å; L134-W165 HydrophobicContact CB-CE3 4.16Å; L134-W165 HydrophobicContact CB-CH2 3.59Å; L134-W165 HydrophobicContact CB-CZ2 3.69Å; L134-W165 HydrophobicContact CB-CZ3 3.86Å; L134-W165 HydrophobicContact CD1-CB 4.38Å; L134-W165 HydrophobicContact CD1-CD2 3.78Å; L134-W165 HydrophobicContact CD1-CE3 4.18Å; L134-W165 HydrophobicContact CD1-CG 3.87Å; L134-W165 HydrophobicContact CD2-CE3 4.46Å; R136-W165 HydrophobicContact CB-CH2 3.46Å; R136-W165 VanDerWaalsContact CB-CH2 3.46Å; R136-W165 HydrophobicContact CB-CZ2 4.01Å; R136-W165 HydrophobicContact CB-CZ3 4.46Å; R136-W165 HydrophobicContact CG-CH2 4.46Å; Y152-W165 WeakPolarHBondContact CA-O 3.4Å; L153-W165 HydrophobicContact CB-CB 4.28Å; L153-W165 PolarHBondContact N-O 2.88Å; L153-W165 VanDerWaalsContact N-O 3.08Å; L153-W165 PolarHBondContact O-N 2.53Å; S155-W165 PolarHBondContact OG-NE1 2.82Å; I163-W165 HydrophobicContact CB-CZ2 4.22Å; I163-W165 HydrophobicContact CD1-CZ2 4.08Å; I163-W165 HydrophobicContact CG2-CD2 3.88Å; I163-W165 VanDerWaalsContact CG2-CE2 3.43Å; I163-W165 HydrophobicContact CG2-CE3 4.48Å; I163-W165 HydrophobicContact CG2-CG 4.31Å; I163-W165 HydrophobicContact CG2-CH2 4.38Å; I163-W165 HydrophobicContact CG2-CZ2 3.72Å; W165-W201 HydrophobicContact CB-CE3 4Å; W165-I202 CarbonylContact C-O 3.34Å; W165-I202 VanDerWaalsContact CA-O 3.3Å; W165-I202 WeakPolarHBondContact CA-O 3.21Å; W165-P203 HydrophobicContact CE3-CB 4.02Å; W165-P203 HydrophobicContact CZ3-CB 4.06Å; W165-P203 HydrophobicContact CZ3-CG 4.33Å
166S93.4Very high82.7Confident13 Ų1343.1 Ų43.19%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-132.8139.6176.1-172.20000110.5Q168 W201 I202S166-Q168 PolarHBondContact OG-NE2 3.08Å; S166-W201 VanDerWaalsContact C-CE3 3.4Å; S166-W201 WeakPolarHBondContact O-CA 3.34Å; S166-I202 PolarHBondContact N-O 2.91Å; S166-I202 PolarHBondContact O-N 3.28Å
167N89.1Confident80.9Confident42 Ų4244.6 Ų44.623%0.22526%0.264CS..EExtended strand (participates in β ladder)trans-74.4129.1177-161.7-43.8000110.1T169 E199 I200 W201N167-T169 WeakPolarHBondContact OD1-CB 3.37Å; N167-T169 PolarHBondContact OD1-N 2.91Å; N167-T169 PolarHBondContact OD1-OG1 2.85Å; N167-E199 PolarHBondContact ND2-OE2 2.85Å; N167-I200 PolarHBondContact OD1-O 2.87Å; N167-W201 HydrophobicContact CB-CD2 3.99Å; N167-W201 HydrophobicContact CB-CE3 4.11Å; N167-W201 HydrophobicContact CB-CH2 3.7Å; N167-W201 HydrophobicContact CB-CZ2 3.63Å; N167-W201 HydrophobicContact CB-CZ3 3.97Å; N167-W201 VanDerWaalsContact N-CE3 3.35Å; N167-W201 WeakPolarHBondContact ND2-CZ2 3.42Å; N167-W201 PolarHBondContact ND2-NE1 2.9Å
168Q84.8Confident79.1Confident36 Ų3646.5 Ų46.517%0.16828%0.277CS..  trans-126.421.2179.1-59.6-66.5-56.300111.6S166 T170 S178 I179 I200 I202S166-Q168 PolarHBondContact OG-NE2 3.08Å; Q168-T170 PolarHBondContact O-N 2.93Å; Q168-S178 WeakPolarHBondContact O-CA 3.23Å; Q168-I179 PolarHBondContact O-N 3.44Å; Q168-I200 PolarHBondContact N-O 2.84Å; Q168-I202 HydrophobicContact CB-CG2 4.29Å; Q168-I202 HydrophobicContact CG-CB 4.32Å; Q168-I202 HydrophobicContact CG-CD1 3.73Å; Q168-I202 HydrophobicContact CG-CG1 3.61Å; Q168-I202 HydrophobicContact CG-CG2 3.93Å
169T81.1Confident77.2Confident43 Ų4349.6 Ų49.626%0.26429%0.293SS..EExtended strand (participates in β ladder)trans-66110.4-178.7-53.20000110.6N167 I176 E199 I200N167-T169 WeakPolarHBondContact OD1-CB 3.37Å; N167-T169 PolarHBondContact OD1-N 2.91Å; N167-T169 PolarHBondContact OD1-OG1 2.85Å; T169-I176 HydrophobicContact CG2-CG2 3.86Å; T169-E199 VanDerWaalsContact OG1-CA 3.29Å; T169-E199 WeakPolarHBondContact OG1-CA 3.45Å; T169-E199 WeakPolarHBondContact OG1-CB 3.46Å; T169-I200 PolarHBondContact N-O 3.25Å; T169-I200 PolarHBondContact OG1-N 3.32Å; T169-I200 PolarHBondContact OG1-O 2.82Å
170T69.7Low75Confident39 Ų3953.1 Ų53.124%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-111.8149.6163.9530000110.4Q168 I176 T177 I179Q168-T170 PolarHBondContact O-N 2.93Å; T170-I176 CarbonylContact O-C 3.45Å; T170-I176 WeakPolarHBondContact O-CA 3.15Å; T170-T177 PolarHBondContact N-O 3.4Å; T170-T177 PolarHBondContact O-N 3.16Å; T170-T177 PolarHBondContact OG1-O 2.73Å; T170-T177 PolarHBondContact OG1-OG1 2.69Å; T170-I179 HydrophobicContact CG2-CD1 4.3Å; T170-I179 HydrophobicContact CG2-CG1 3.45Å; T170-I179 VanDerWaalsContact CG2-CG1 3.45Å
171T64.1Low72.5Confident108 Ų10857.8 Ų57.866%0.66334%0.337SS*.EExtended strand (participates in β ladder)trans-113.495.3178.453.30000109.7T175T171-T175 WeakPolarHBondContact CA-O 3.44Å
172N57.4Low69.8Low92 Ų9260.1 Ų60.149%0.49236%0.358SS..EExtended strand (participates in β ladder)trans-99.6114.3176.9-77.5-52.6000109.4G174 T175 T177N172-G174 PolarHBondContact O-N 2.97Å; N172-G174 VanDerWaalsContact O-N 3.14Å; N172-T175 PolarHBondContact N-O 2.95Å; N172-T175 PolarHBondContact O-N 3.22Å; N172-T177 PolarHBondContact ND2-OG1 3.49Å
173N48.8Very low66.8Low176 Ų17664.9 Ų64.994%0.94139%0.391SS*.THydrogen-bonded Turntrans52.730.8-178.1-61.9-19000115T175N173-T175 VanDerWaalsContact C-N 3.29Å; N173-T175 PolarHBondContact O-N 3.49Å
174G58.4Low63.9Low73 Ų7372.2 Ų72.275%0.75343%0.431SS*.THydrogen-bonded Turntrans86.5-12-177.800000114.9N172N172-G174 PolarHBondContact O-N 2.97Å; N172-G174 VanDerWaalsContact O-N 3.14Å
175T57Low61.5Low94 Ų9479.4 Ų79.458%0.57747%0.468SS*.EExtended strand (participates in β ladder)trans-82.8139.4169.2-550000109.7T171 N172 N173T171-T175 WeakPolarHBondContact CA-O 3.44Å; N172-T175 PolarHBondContact N-O 2.95Å; N172-T175 PolarHBondContact O-N 3.22Å; N173-T175 VanDerWaalsContact C-N 3.29Å; N173-T175 PolarHBondContact O-N 3.49Å
176I60.3Low58.9Low59 Ų5987.2 Ų87.230%0.30350%0.502SS..EExtended strand (participates in β ladder)trans-81.7128.4172.8-60.7163.2000108.9T169 T170 S198 I200T169-I176 HydrophobicContact CG2-CG2 3.86Å; T170-I176 CarbonylContact O-C 3.45Å; T170-I176 WeakPolarHBondContact O-CA 3.15Å; I176-S198 WeakPolarHBondContact CD1-O 3.47Å; I176-I200 HydrophobicContact CG2-CD1 3.76Å; I176-I200 HydrophobicContact CG2-CG1 3.85Å
177T60Low56.7Low30 Ų3092.8 Ų92.818%0.18453%0.531CS..EExtended strand (participates in β ladder)trans-130.6152.717849.60000110.6T170 N172T170-T177 PolarHBondContact N-O 3.4Å; T170-T177 PolarHBondContact O-N 3.16Å; T170-T177 PolarHBondContact OG1-O 2.73Å; T170-T177 PolarHBondContact OG1-OG1 2.69Å; N172-T177 PolarHBondContact ND2-OG1 3.49Å
178S58.7Low54.7Low40 Ų4098 Ų9828%0.2856%0.559SS.*EExtended strand (participates in β ladder)trans-69.5150.8163.844.20000110.4Q168 D180Q168-S178 WeakPolarHBondContact O-CA 3.23Å; S178-D180 VanDerWaalsContact C-N 3.3Å; S178-D180 WeakPolarHBondContact CB-O 3.28Å; S178-D180 PolarHBondContact OG-O 3.2Å
179I57.4Low53.2Low97 Ų97103.8 Ų103.850%0.49759%0.591SS.*SBendtrans-57.3-47.7171-69.8174.1000109.9Q168 T170 N181Q168-I179 PolarHBondContact O-N 3.44Å; T170-I179 HydrophobicContact CG2-CD1 4.3Å; T170-I179 HydrophobicContact CG2-CG1 3.45Å; T170-I179 VanDerWaalsContact CG2-CG1 3.45Å; I179-N181 PolarHBondContact O-N 2.7Å
180D50.8Low51.9Low87 Ų87105.2 Ų105.247%0.46560%0.597SS.*SBendtrans-80.9115.7171.5-61.6-41.8000110.3S178 S182S178-D180 VanDerWaalsContact C-N 3.3Å; S178-D180 WeakPolarHBondContact CB-O 3.28Å; S178-D180 PolarHBondContact OG-O 3.2Å; D180-S182 PolarHBondContact O-N 3.2Å
181N45.2Very low51Low135 Ų135112.5 Ų112.572%0.72262%0.622SS**  trans-74.426.9169.4-79-72.2000112.4I179 S183I179-N181 PolarHBondContact O-N 2.7Å; N181-S183 PolarHBondContact O-N 2.93Å
182S40.8Very low50.2Low89 Ų89116.2 Ų116.262%0.62263%0.625SS**  trans-78.484.2-178.557.20000111D180 N184D180-S182 PolarHBondContact O-N 3.2Å; S182-N184 PolarHBondContact O-N 3.42Å
183S35.5Very low49.9Very low99 Ų99114.3 Ų114.369%0.69262%0.615SS**  trans-62.688.9174.357.50000111.9N181N181-S183 PolarHBondContact O-N 2.93Å
184N36.7Very low50Low157 Ų157110.2 Ų110.284%0.8459%0.593SS**  trans-151.410171.4-95.7-27.4000114.1S182S182-N184 PolarHBondContact O-N 3.42Å
185L46.9Very low49.6Very low151 Ų151110.9 Ų110.979%0.79159%0.591SS**  trans-11479.7163.5-70.2176.5000108
186K41.6Very low50.1Low171 Ų171111.6 Ų111.674%0.74359%0.591SS**  trans-135.981.9167.2-76.8-167.4174.5-169.60107.3
187D45.4Very low50.7Low131 Ų131110.1 Ų110.170%0.70158%0.583SS**  trans-72127.5151-65.7-51.6000106.1D189 D190D187-D189 PolarHBondContact O-N 3.04Å; D187-D190 PolarHBondContact O-N 2.8Å
188D47.2Very low51.7Low150 Ų150110.7 Ų110.780%0.80259%0.589SS**G310 helixtrans-66.8-13.2-165.3-83.4-44000114.1D190D188-D190 VanDerWaalsContact C-N 3.35Å
189D53.4Low53Low159 Ų159109.3 Ų109.385%0.8558%0.578SS**G310 helixtrans-74.4-20.9177.4-65.9-48.5000113.6D187 Y191D187-D189 PolarHBondContact O-N 3.04Å; D189-Y191 PolarHBondContact O-N 2.97Å; D189-Y191 VanDerWaalsContact O-N 3.1Å
190D55.1Low54.4Low72 Ų72107.1 Ų107.139%0.38557%0.566SS.*G310 helixtrans-8210.9-166.1-135.135.4000114.2D187 D188 Y192 N194D187-D190 PolarHBondContact O-N 2.8Å; D188-D190 VanDerWaalsContact C-N 3.35Å; D190-Y192 PolarHBondContact O-N 2.88Å; D190-N194 PolarHBondContact O-ND2 3.28Å; D190-N194 PolarHBondContact OD2-ND2 2.84Å
191Y49.3Very low56.4Low192 Ų192103.9 Ų103.975%0.75355%0.548SS*.G310 helixtrans-65-31.7-171.5-175.5-102.7000114.4D189D189-Y191 PolarHBondContact O-N 2.97Å; D189-Y191 VanDerWaalsContact O-N 3.1Å
192Y49.2Very low58.6Low186 Ų186100 Ų10073%0.72953%0.526SS*.THydrogen-bonded Turntrans-87.8-37.4-177.8-81.1-81.1000113.9D190 A195D190-Y192 PolarHBondContact O-N 2.88Å; Y192-A195 WeakPolarHBondContact O-CB 3.33Å; Y192-A195 PolarHBondContact O-N 2.77Å
193D50.3Low61.2Low53 Ų5397.6 Ų97.628%0.28351%0.508SS..G310 helixtrans-70.3-36.3-176.1-89.34.7000112.6K135 A195 I196 N197K135-D193 WeakPolarHBondContact CE-OD2 3.29Å; K135-D193 IonicContact NZ-OD2 2.91Å; K135-D193 PolarHBondContact NZ-OD2 2.83Å; D193-A195 PolarHBondContact O-N 2.85Å; D193-A195 VanDerWaalsContact O-N 3.13Å; D193-I196 PolarHBondContact O-N 3.27Å; D193-N197 PolarHBondContact O-N 3.44Å
194N51.8Low63.8Low90 Ų9094.7 Ų94.748%0.48149%0.488SS..G310 helixtrans-65-14.7177.1-74.9-68.4000113.4D190 I196D190-N194 PolarHBondContact O-ND2 3.28Å; D190-N194 PolarHBondContact OD2-ND2 2.84Å; N194-I196 VanDerWaalsContact C-N 3.34Å
195A48.1Very low66.4Low87 Ų8791.6 Ų91.672%0.71946%0.464SS*.G310 helixtrans-80.6-10.8171.500000113.9Y192 D193Y192-A195 WeakPolarHBondContact O-CB 3.33Å; Y192-A195 PolarHBondContact O-N 2.77Å; D193-A195 PolarHBondContact O-N 2.85Å; D193-A195 VanDerWaalsContact O-N 3.13Å
196I67.7Low68.7Low109 Ų10986.6 Ų86.656%0.55944%0.442SS*.THydrogen-bonded Turntrans-105.2-28.6-178.6-49.9179.7000111.2Y130 D193 N194 S198Y130-I196 HydrophobicContact CD1-CG2 3.88Å; Y130-I196 HydrophobicContact CE1-CB 4.41Å; Y130-I196 HydrophobicContact CE1-CG2 3.77Å; D193-I196 PolarHBondContact O-N 3.27Å; N194-I196 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 2.78Å
197N74.4Confident71.3Confident27 Ų2778.6 Ų78.614%0.14441%0.408CS..  trans-68.4119.6179.3-64.5-29.2000111.5Y130 L131 A132 S133 D193Y130-N197 WeakPolarHBondContact CE1-OD1 3.41Å; Y130-N197 PolarHBondContact OH-OD1 2.99Å; L131-N197 CarbonylContact O-C 3.57Å; L131-N197 WeakPolarHBondContact O-CA 3.43Å; A132-N197 WeakPolarHBondContact CA-OD1 3.43Å; S133-N197 PolarHBondContact N-OD1 2.82Å; D193-N197 PolarHBondContact O-N 3.44Å
198S81.1Confident73.6Confident43 Ų4380.6 Ų80.630%0.30141%0.405SS..SBendtrans-94.4-3.3174.972.90000114L131 I176 I196L131-S198 WeakPolarHBondContact CD2-OG 3.2Å; L131-S198 PolarHBondContact O-N 2.92Å; I176-S198 WeakPolarHBondContact CD1-O 3.47Å; I196-S198 PolarHBondContact O-N 2.78Å
199E86.3Confident75.9Confident11 Ų1179.6 Ų79.65%0.05139%0.39CS..SBendtrans-136.5137.5171.4-62.4-170177.300110.5R63 L131 A132 N167 T169 W201R63-E199 IonicContact CZ-OE1 2.73Å; R63-E199 VanDerWaalsContact CZ-OE1 3.26Å; R63-E199 IonicContact CZ-OE2 3.67Å; R63-E199 IonicContact NE-OE1 3.51Å; R63-E199 PolarHBondContact NE-OE1 2.89Å; R63-E199 IonicContact NE-OE2 2.88Å; R63-E199 PolarHBondContact NE-OE2 2.83Å; R63-E199 IonicContact NH2-OE1 3.49Å; R63-E199 PolarHBondContact NH2-OE1 3.05Å; R63-E199 IonicContact NH2-OE2 2.69Å; R63-E199 PolarHBondContact NH2-OE2 2.74Å; L131-E199 HydrophobicContact CB-CG 4.35Å; L131-E199 HydrophobicContact CD2-CG 4.36Å; L131-E199 PolarHBondContact O-N 2.9Å; A132-E199 WeakPolarHBondContact CB-O 3.34Å; N167-E199 PolarHBondContact ND2-OE2 2.85Å; T169-E199 VanDerWaalsContact OG1-CA 3.29Å; T169-E199 WeakPolarHBondContact OG1-CA 3.45Å; T169-E199 WeakPolarHBondContact OG1-CB 3.46Å; E199-W201 PolarHBondContact OE2-NE1 2.95Å
200I86.7Confident77.9Confident50 Ų5072.3 Ų72.326%0.25635%0.351SS..  trans-97.3127.2172.2-65.3177.1000109N167 Q168 T169 I176 I202N167-I200 PolarHBondContact OD1-O 2.87Å; Q168-I200 PolarHBondContact N-O 2.84Å; T169-I200 PolarHBondContact N-O 3.25Å; T169-I200 PolarHBondContact OG1-N 3.32Å; T169-I200 PolarHBondContact OG1-O 2.82Å; I176-I200 HydrophobicContact CG2-CD1 3.76Å; I176-I200 HydrophobicContact CG2-CG1 3.85Å; I200-I202 HydrophobicContact CG2-CG2 4.46Å
201W91.8Very high79.9Confident20 Ų2074 Ų748%0.07636%0.36CS..EExtended strand (participates in β ladder)trans-128.5124.2-178.6-77.781.3000109.4L75 L134 W146 L153 W165 S166 N167 E199L75-W201 HydrophobicContact CD1-CD2 3.8Å; L75-W201 VanDerWaalsContact CD1-CE2 3.44Å; L75-W201 HydrophobicContact CD1-CG 3.92Å; L75-W201 HydrophobicContact CD1-CZ2 4.03Å; L75-W201 VanDerWaalsContact CD1-NE1 3.31Å; L134-W201 HydrophobicContact CD2-CB 3.5Å; L134-W201 VanDerWaalsContact CD2-CB 3.5Å; L134-W201 HydrophobicContact CD2-CG 4.05Å; W146-W201 AromaticContact CH2-CH2 3.72Å; W146-W201 HydrophobicContact CH2-CH2 3.72Å; W146-W201 AromaticContact CH2-CZ2 3.9Å; W146-W201 HydrophobicContact CH2-CZ2 3.9Å; W146-W201 AromaticContact CZ3-CH2 3.55Å; W146-W201 HydrophobicContact CZ3-CH2 3.55Å; W146-W201 HydrophobicContact CZ3-CZ2 4.19Å; W146-W201 HydrophobicContact CZ3-CZ3 4.25Å; L153-W201 HydrophobicContact CB-CZ3 4.39Å; W165-W201 HydrophobicContact CB-CE3 4Å; S166-W201 VanDerWaalsContact C-CE3 3.4Å; S166-W201 WeakPolarHBondContact O-CA 3.34Å; N167-W201 HydrophobicContact CB-CD2 3.99Å; N167-W201 HydrophobicContact CB-CE3 4.11Å; N167-W201 HydrophobicContact CB-CH2 3.7Å; N167-W201 HydrophobicContact CB-CZ2 3.63Å; N167-W201 HydrophobicContact CB-CZ3 3.97Å; N167-W201 VanDerWaalsContact N-CE3 3.35Å; N167-W201 WeakPolarHBondContact ND2-CZ2 3.42Å; N167-W201 PolarHBondContact ND2-NE1 2.9Å; E199-W201 PolarHBondContact OE2-NE1 2.95Å
202I92.1Very high82.3Confident52 Ų5269.7 Ų69.727%0.26735%0.346SS..EExtended strand (participates in β ladder)trans-106.5147.7179.976.2171.7000111.3W165 S166 Q168 I200 C204W165-I202 CarbonylContact C-O 3.34Å; W165-I202 VanDerWaalsContact CA-O 3.3Å; W165-I202 WeakPolarHBondContact CA-O 3.21Å; S166-I202 PolarHBondContact N-O 2.91Å; S166-I202 PolarHBondContact O-N 3.28Å; Q168-I202 HydrophobicContact CB-CG2 4.29Å; Q168-I202 HydrophobicContact CG-CB 4.32Å; Q168-I202 HydrophobicContact CG-CD1 3.73Å; Q168-I202 HydrophobicContact CG-CG1 3.61Å; Q168-I202 HydrophobicContact CG-CG2 3.93Å; I200-I202 HydrophobicContact CG2-CG2 4.46Å; I202-C204 PolarHBondContact O-N 2.91Å; I202-C204 VanDerWaalsContact O-N 3.15Å
203P94Very high84.5Confident39 Ų3962.6 Ų62.625%0.25332%0.321SS..EExtended strand (participates in β ladder)trans-77.393.9172.832.6-35.7000110.3I163 I164 W165I163-P203 HydrophobicContact CG2-CB 3.62Å; I164-P203 CarbonylContact O-C 3.58Å; I164-P203 WeakPolarHBondContact O-CA 3.39Å; W165-P203 HydrophobicContact CE3-CB 4.02Å; W165-P203 HydrophobicContact CZ3-CB 4.06Å; W165-P203 HydrophobicContact CZ3-CG 4.33Å
204C90.8Very high86.8Confident39 Ų3960.1 Ų60.126%0.26431%0.308SS..EExtended strand (participates in β ladder)trans-76.1-23.2-176.766.20000113.9I164 I202I164-C204 PolarHBondContact O-N 3.25Å; I164-C204 PolarHBondContact O-SG 2.74Å; I164-C204 VanDerWaalsContact O-SG 3.35Å; I202-C204 PolarHBondContact O-N 2.91Å; I202-C204 VanDerWaalsContact O-N 3.15Å
205R92.3Very high89Confident91 Ų9156.8 Ų56.834%0.34329%0.288SS..EExtended strand (participates in β ladder)trans-140.9150.5170.3-59.3-68.8-177.2-148.76.7110.8I164 L207 D241 L242I164-R205 HydrophobicContact CB-CB 3.99Å; I164-R205 HydrophobicContact CG1-CB 3.96Å; I164-R205 PolarHBondContact N-O 2.81Å; I164-R205 PolarHBondContact O-N 2.93Å; R205-L207 HydrophobicContact CB-CD2 4.22Å; R205-D241 PolarHBondContact NH2-O 3.45Å; R205-L242 HydrophobicContact CG-CD2 3.89Å
206S93.7Very high91.4Very high47 Ų4752.8 Ų52.833%0.32926%0.255SS..EExtended strand (participates in β ladder)trans-129.5119.3170.1-129.80000107.5R136R136-S206 PolarHBondContact NH1-OG 3.23Å
207L96Very high92.9Very high2 Ų247.6 Ų47.61%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-106.1126.5-178.6-36.5177.1000108.3I162 I164 R205 L226 W238 L240 I286I162-L207 HydrophobicContact CB-CB 4.02Å; I162-L207 HydrophobicContact CB-CD1 4.05Å; I162-L207 HydrophobicContact CB-CG 4.17Å; I162-L207 HydrophobicContact CD1-CD1 4.31Å; I162-L207 HydrophobicContact CG2-CD1 4.15Å; I162-L207 PolarHBondContact N-O 2.88Å; I162-L207 PolarHBondContact O-N 2.84Å; I164-L207 HydrophobicContact CD1-CD1 4.43Å; R205-L207 HydrophobicContact CB-CD2 4.22Å; L207-L226 HydrophobicContact CD1-CD2 4.23Å; L207-W238 HydrophobicContact CB-CD2 4.09Å; L207-W238 HydrophobicContact CB-CE3 3.73Å; L207-W238 HydrophobicContact CB-CH2 3.83Å; L207-W238 HydrophobicContact CB-CZ2 4.22Å; L207-W238 HydrophobicContact CB-CZ3 3.61Å; L207-W238 HydrophobicContact CD1-CB 4.11Å; L207-W238 HydrophobicContact CD1-CD2 3.86Å; L207-W238 HydrophobicContact CD1-CE3 4.15Å; L207-W238 HydrophobicContact CD1-CG 3.86Å; L207-W238 HydrophobicContact CG-CE3 4.36Å; L207-L240 HydrophobicContact CD1-CD2 3.86Å; L207-L240 HydrophobicContact CD2-CD2 3.9Å; L207-I286 HydrophobicContact CD2-CD1 3.76Å
208R94.3Very high94Very high174 Ų17447.9 Ų47.966%0.65723%0.232SC*.EExtended strand (participates in β ladder)trans-138.4117.7-179.2-170.8-174.7-173.3165.55.3109.6F161F161-R208 HydrophobicContact CD1-CB 4.02Å; F161-R208 HydrophobicContact CD1-CG 4.26Å; F161-R208 HydrophobicContact CE1-CB 3.96Å; F161-R208 HydrophobicContact CE1-CG 4.01Å
209R95Very high94.7Very high129 Ų12946.5 Ų46.549%0.48722%0.221SC..  trans-167.8-25.7178.9-163.1168.8-172.5130.415.8113.9I236 W238 T288R209-I236 HydrophobicContact CB-CD1 3.81Å; R209-I236 HydrophobicContact CG-CD1 3.96Å; R209-W238 HydrophobicContact CB-CH2 3.35Å; R209-W238 HydrophobicContact CB-CZ2 4.24Å; R209-W238 HydrophobicContact CB-CZ3 3.82Å; R209-T288 PolarHBondContact NH1-OG1 2.96Å
210H96.9Very high95.1Very high6 Ų646 Ų463%0.02822%0.218CC..  trans-61.7153.2168.2-81.1-62.4000111.1I214 S228 S230 D232 S234H210-I214 HydrophobicContact CB-CD1 4.18Å; H210-I214 HydrophobicContact CB-CG1 4.1Å; H210-S228 PolarHBondContact CD2-OG 2.82Å; H210-S228 PolarHBondContact NE2-OG 3.2Å; H210-S230 WeakPolarHBondContact CE1-CB 3.23Å; H210-S230 WeakPolarHBondContact ND1-CB 3.34Å; H210-D232 VanDerWaalsContact CA-OD2 3.26Å; H210-D232 WeakPolarHBondContact CA-OD2 3.35Å; H210-D232 IonicContact CE1-OD1 3.77Å; H210-D232 IonicContact CG-OD2 3.66Å; H210-D232 IonicContact ND1-OD1 3.81Å; H210-D232 PolarHBondContact ND1-OD1 3.23Å; H210-D232 IonicContact ND1-OD2 2.81Å; H210-D232 PolarHBondContact ND1-OD2 2.67Å; H210-S234 PolarHBondContact CE1-OG 2.88Å; H210-S234 PolarHBondContact ND1-OG 3.02Å
211L97.3Very high95.2Very high107 Ų10745.8 Ų45.856%0.5622%0.22SC*.SBendtrans-105-22.3-177.3-58.4179.1000113.2L160 D232L160-L211 WeakPolarHBondContact CD1-O 3.46Å; L211-D232 HydrophobicContact CB-CB 4.06Å; L211-D232 PolarHBondContact N-OD2 2.95Å
212E97.7Very high94.9Very high101 Ų10148 Ų4847%0.47223%0.233SC..SBendtrans-139.1171.4180-54.5-67.6172.900109.6L160 S230 V231 D232L160-E212 VanDerWaalsContact CD2-CA 3.42Å; L160-E212 WeakPolarHBondContact CD2-O 3.03Å; E212-S230 PolarHBondContact O-OG 3.22Å; E212-V231 HydrophobicContact CB-CB 3.56Å; E212-V231 HydrophobicContact CB-CG1 3.55Å; E212-V231 HydrophobicContact CG-CG1 4.12Å; E212-D232 HydrophobicContact CB-CB 4.07Å; E212-D232 HydrophobicContact CG-CB 4.12Å
213D97.4Very high94.7Very high38 Ų3846.4 Ų46.420%0.20323%0.225CC..  trans-49.2144.6-167.6-47.4-43000114.9K139 D158 S230 V231K139-D213 IonicContact NZ-OD1 3.98Å; D158-D213 VanDerWaalsContact CA-OD1 3.24Å; D158-D213 WeakPolarHBondContact CA-OD1 3.37Å; D158-D213 HydrophobicContact CB-CB 4.34Å; D158-D213 WeakPolarHBondContact CB-OD1 3.22Å; D158-D213 VanDerWaalsContact O-OD1 3.12Å; D213-S230 CarbonylContact O-C 3.5Å; D213-S230 WeakPolarHBondContact O-CA 3.25Å; D213-S230 WeakPolarHBondContact O-CB 3.31Å; D213-S230 PolarHBondContact O-OG 3.1Å; D213-V231 HydrophobicContact CB-CG2 3.93Å; D213-V231 PolarHBondContact O-N 2.71Å
214I98.3Very high94.6Very high0 Ų053 Ų530%025%0.245CC..EExtended strand (participates in β ladder)trans-102.2120.6-178.1-55173.8000109.2N142 A156 G157 I162 H210 V217N142-I214 VanDerWaalsContact CB-O 3.29Å; N142-I214 WeakPolarHBondContact CB-O 3.39Å; N142-I214 PolarHBondContact ND2-O 2.78Å; A156-I214 HydrophobicContact CB-CB 4.02Å; A156-I214 HydrophobicContact CB-CD1 4.3Å; A156-I214 HydrophobicContact CB-CG2 3.68Å; G157-I214 PolarHBondContact O-N 2.86Å; G157-I214 VanDerWaalsContact O-N 3.13Å; I162-I214 HydrophobicContact CD1-CD1 4.31Å; I162-I214 HydrophobicContact CG1-CD1 3.66Å; H210-I214 HydrophobicContact CB-CD1 4.18Å; H210-I214 HydrophobicContact CB-CG1 4.1Å; I214-V217 HydrophobicContact CG2-CG1 4.11Å
215Y97.7Very high94.7Very high20 Ų2051.4 Ų51.48%0.07823%0.234CC..EExtended strand (participates in β ladder)trans-99.9-28.6-172.7-71.8-41.4000115.1G229 V231 Q299 F350 F351 R353Y215-G229 PolarHBondContact N-O 2.81Å; Y215-G229 VanDerWaalsContact N-O 3.08Å; Y215-V231 HydrophobicContact CD2-CG2 4.02Å; Y215-V231 HydrophobicContact CE1-CG2 4.15Å; Y215-V231 HydrophobicContact CE2-CG2 3.26Å; Y215-V231 WeakPolarHBondContact OH-CG2 3.44Å; Y215-Q299 HydrophobicContact CD2-CB 4.49Å; Y215-Q299 HydrophobicContact CD2-CG 3.75Å; Y215-Q299 HydrophobicContact CE2-CG 4.09Å; Y215-F350 HydrophobicContact CD1-CB 4.34Å; Y215-F350 HydrophobicContact CE1-CB 4.07Å; Y215-F350 HydrophobicContact CE1-CD1 4.02Å; Y215-F350 HydrophobicContact CE1-CG 4.43Å; Y215-F350 AromaticContact CZ-CD1 3.97Å; Y215-F351 HydrophobicContact CD1-CE1 4.41Å; Y215-R353 PolarHBondContact O-NH2 2.99Å
216D98.1Very high94.9Very high3 Ų347 Ų472%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-153.4148.1-179.2-161.334.9000111.5R145 S228 G229 G300 V301 R353R145-D216 IonicContact CZ-OD1 3.5Å; R145-D216 IonicContact NE-OD1 2.71Å; R145-D216 IonicContact NH2-OD1 3.44Å; R145-D216 PolarHBondContact NH2-OD1 3.01Å; D216-S228 WeakPolarHBondContact O-CA 3.32Å; D216-G229 PolarHBondContact O-N 2.8Å; D216-G300 WeakPolarHBondContact OD2-CA 3.27Å; D216-V301 HydrophobicContact CB-CG2 4.24Å; D216-V301 WeakPolarHBondContact O-CG2 3.27Å; D216-V301 PolarHBondContact OD2-N 2.82Å; D216-R353 IonicContact OD1-NE 2.67Å; D216-R353 PolarHBondContact OD1-NE 2.86Å
217V98.3Very high95.1Very high1 Ų144.9 Ų44.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-136.4154.4174.1-58.20000110V143 R145 A154 A156 I162 I214 L226 I227V143-V217 HydrophobicContact CG1-CB 4.45Å; V143-V217 HydrophobicContact CG1-CG1 4.04Å; V143-V217 HydrophobicContact CG1-CG2 3.96Å; V143-V217 HydrophobicContact CG2-CG2 3.98Å; R145-V217 HydrophobicContact CB-CG2 4.4Å; R145-V217 HydrophobicContact CG-CG2 3.77Å; R145-V217 VanDerWaalsContact CG-O 3.32Å; R145-V217 WeakPolarHBondContact CG-O 3.27Å; R145-V217 PolarHBondContact NE-O 2.89Å; A154-V217 HydrophobicContact CB-CG2 4.36Å; A156-V217 HydrophobicContact CB-CG1 3.97Å; I162-V217 HydrophobicContact CD1-CG1 4.25Å; I214-V217 HydrophobicContact CG2-CG1 4.11Å; V217-L226 HydrophobicContact CB-CD1 4.36Å; V217-L226 HydrophobicContact CB-CD2 4.28Å; V217-L226 HydrophobicContact CB-CG 4.4Å; V217-L226 HydrophobicContact CG1-CD2 4.38Å; V217-I227 CarbonylContact C-O 3.58Å; V217-I227 WeakPolarHBondContact CA-O 3.47Å
218C97.9Very high95.2Very high33 Ų3344.8 Ų44.822%0.22320%0.202CC..EExtended strand (participates in β ladder)trans-143.3139.6172.8-174.50000110.5L226 I227 V301 W303C218-L226 CarbonylContact O-C 3.51Å; C218-L226 WeakPolarHBondContact O-CA 3.44Å; C218-L226 WeakPolarHBondContact O-CD1 3.42Å; C218-I227 HydrophobicContact CB-CG2 3.71Å; C218-I227 PolarHBondContact N-O 2.78Å; C218-I227 WeakPolarHBondContact O-CG2 3.28Å; C218-I227 PolarHBondContact O-N 3.47Å; C218-V301 HydrophobicContact CB-CG2 4.43Å; C218-V301 WeakPolarHBondContact CB-O 3.47Å; C218-W303 PolarHBondContact SG-N 2.88Å
219W96.4Very high95.4Very high14 Ų1436.5 Ų36.55%0.05317%0.17CC..EExtended strand (participates in β ladder)trans-76.8150.3174.5-71.696.1000111.6R145 W146 A154 I164 L226 L240 L242 W303R145-W219 PolarHBondContact O-NE1 2.81Å; R145-W219 VanDerWaalsContact O-NE1 3.11Å; W146-W219 PolarHBondContact O-NE1 2.95Å; A154-W219 HydrophobicContact CB-CZ2 3.71Å; I164-W219 HydrophobicContact CD1-CH2 4.1Å; I164-W219 HydrophobicContact CD1-CZ2 4.2Å; I164-W219 HydrophobicContact CG2-CH2 3.78Å; I164-W219 HydrophobicContact CG2-CZ2 4.23Å; W219-L226 HydrophobicContact CD2-CD1 3.75Å; W219-L226 HydrophobicContact CE3-CD1 4.19Å; W219-L226 HydrophobicContact CG-CD1 3.88Å; W219-L240 HydrophobicContact CE3-CD1 4.27Å; W219-L240 HydrophobicContact CH2-CD1 4.24Å; W219-L240 HydrophobicContact CZ3-CD1 3.63Å; W219-L242 HydrophobicContact CH2-CD1 3.93Å; W219-L242 HydrophobicContact CZ3-CD1 3.81Å; W219-W303 VanDerWaalsContact O-CB 3.28Å; W219-W303 WeakPolarHBondContact O-CB 3.12Å
220S94.2Very high95.5Very high1 Ų130.3 Ų30.31%0.00715%0.147CC..  trans-70.8148.5161.3700000110D222 E223 R224 A225S220-D222 WeakPolarHBondContact CB-OD1 3.47Å; S220-D222 PolarHBondContact O-N 3.41Å; S220-D222 PolarHBondContact OG-OD1 2.64Å; S220-E223 PolarHBondContact O-N 3.27Å; S220-E223 PolarHBondContact OG-N 2.95Å; S220-R224 PolarHBondContact OG-N 3.34Å; S220-A225 WeakPolarHBondContact CB-O 3.33Å; S220-A225 PolarHBondContact N-O 2.82Å; S220-A225 PolarHBondContact OG-N 2.7Å; S220-A225 PolarHBondContact OG-O 2.83Å
221P89.5Confident95.5Very high45 Ų4531 Ų3129%0.29215%0.151SC..THydrogen-bonded Turntrans-68.5-1.9179.527.7-36.2000114.3W303 D304 P305P221-W303 VanDerWaalsContact CD-CD1 3.47Å; P221-D304 WeakPolarHBondContact CG-O 3.39Å; P221-P305 WeakPolarHBondContact CB-O 3.27Å; P221-P305 VanDerWaalsContact CG-O 3.27Å; P221-P305 WeakPolarHBondContact CG-O 3.49Å
222D85.2Confident95.5Very high65 Ų6527.2 Ų27.235%0.34813%0.132SC..THydrogen-bonded Turntrans-112.98.5170.955.118.5000113.7R41 S220 R224R41-D222 IonicContact CZ-OD2 2.7Å; R41-D222 IonicContact NE-OD2 3.39Å; R41-D222 VanDerWaalsContact NH2-CB 3.34Å; R41-D222 IonicContact NH2-OD1 3.05Å; R41-D222 IonicContact NH2-OD2 2.83Å; R41-D222 PolarHBondContact NH2-OD2 2.72Å; S220-D222 WeakPolarHBondContact CB-OD1 3.47Å; S220-D222 PolarHBondContact O-N 3.41Å; S220-D222 PolarHBondContact OG-OD1 2.64Å; D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 PolarHBondContact OD1-N 3.23Å
223E88.7Confident95.5Very high19 Ų1925.6 Ų25.69%0.08912%0.124CC..SBendtrans61.2-7.8179.9-36.7-156.1115.100116.3S147 P148 S149 S220 A225S147-E223 WeakPolarHBondContact CB-OE1 3.31Å; S147-E223 PolarHBondContact OG-OE1 3.05Å; P148-E223 HydrophobicContact CB-CG 4.38Å; P148-E223 VanDerWaalsContact CD-OE1 3.25Å; P148-E223 WeakPolarHBondContact CD-OE1 3.33Å; P148-E223 HydrophobicContact CG-CG 4.25Å; S149-E223 WeakPolarHBondContact CB-OE1 3.16Å; S149-E223 VanDerWaalsContact CB-OE2 3.24Å; S149-E223 WeakPolarHBondContact CB-OE2 3.39Å; S149-E223 PolarHBondContact N-OE1 2.83Å; S149-E223 PolarHBondContact OG-OE1 2.75Å; S149-E223 PolarHBondContact OG-OE2 3.04Å; S220-E223 PolarHBondContact O-N 3.27Å; S220-E223 PolarHBondContact OG-N 2.95Å; E223-A225 PolarHBondContact O-N 3.44Å
224R90.1Very high95.5Very high179 Ų17923.8 Ų23.868%0.67511%0.114SC*.SBendtrans-73.3-3.7-179.9-68171.5-175.1-169.50.1113.5S220 D222 H239 L240S220-R224 PolarHBondContact OG-N 3.34Å; D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 PolarHBondContact OD1-N 3.23Å; R224-H239 WeakPolarHBondContact O-CA 3.44Å; R224-L240 PolarHBondContact O-N 2.64Å
225A93.8Very high95.5Very high4 Ų423.8 Ų23.83%0.03312%0.115CC..EExtended strand (participates in β ladder)trans-151.5163.4174.800000113.7S220 E223 I237 W238 W303S220-A225 WeakPolarHBondContact CB-O 3.33Å; S220-A225 PolarHBondContact N-O 2.82Å; S220-A225 PolarHBondContact OG-N 2.7Å; S220-A225 PolarHBondContact OG-O 2.83Å; E223-A225 PolarHBondContact O-N 3.44Å; A225-I237 HydrophobicContact CB-CG2 4.49Å; A225-W238 CarbonylContact C-O 3.53Å; A225-W238 WeakPolarHBondContact CA-O 3.39Å; A225-W238 WeakPolarHBondContact CB-O 3.47Å; A225-W303 HydrophobicContact CB-CH2 3.42Å; A225-W303 VanDerWaalsContact CB-CH2 3.42Å; A225-W303 HydrophobicContact CB-CZ2 4.26Å; A225-W303 HydrophobicContact CB-CZ3 3.79Å
226L96.5Very high95.5Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-133.2145.9171.1-171.387.4000108.2A154 I162 I164 L207 V217 C218 W219 I237 W238 L240A154-L226 HydrophobicContact CB-CD1 4.03Å; I162-L226 HydrophobicContact CD1-CD2 3.95Å; I162-L226 HydrophobicContact CG2-CD2 3.68Å; I164-L226 HydrophobicContact CD1-CD2 4.42Å; L207-L226 HydrophobicContact CD1-CD2 4.23Å; V217-L226 HydrophobicContact CB-CD1 4.36Å; V217-L226 HydrophobicContact CB-CD2 4.28Å; V217-L226 HydrophobicContact CB-CG 4.4Å; V217-L226 HydrophobicContact CG1-CD2 4.38Å; C218-L226 CarbonylContact O-C 3.51Å; C218-L226 WeakPolarHBondContact O-CA 3.44Å; C218-L226 WeakPolarHBondContact O-CD1 3.42Å; W219-L226 HydrophobicContact CD2-CD1 3.75Å; W219-L226 HydrophobicContact CE3-CD1 4.19Å; W219-L226 HydrophobicContact CG-CD1 3.88Å; L226-I237 CarbonylContact O-C 3.55Å; L226-I237 WeakPolarHBondContact O-CA 3.2Å; L226-W238 PolarHBondContact N-O 3.5Å; L226-W238 PolarHBondContact O-N 3.07Å; L226-L240 HydrophobicContact CB-CD1 3.85Å
227I97.7Very high95.5Very high1 Ų122.8 Ų22.81%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-111140.4167.5-174170.7000109.4V217 C218 I235 I236 I237 V301 W303 V310V217-I227 CarbonylContact C-O 3.58Å; V217-I227 WeakPolarHBondContact CA-O 3.47Å; C218-I227 HydrophobicContact CB-CG2 3.71Å; C218-I227 PolarHBondContact N-O 2.78Å; C218-I227 WeakPolarHBondContact O-CG2 3.28Å; C218-I227 PolarHBondContact O-N 3.47Å; I227-I235 HydrophobicContact CD1-CG2 3.57Å; I227-I235 HydrophobicContact CG1-CG2 3.57Å; I227-I236 WeakPolarHBondContact CA-O 3.5Å; I227-I237 HydrophobicContact CB-CG1 4.39Å; I227-I237 HydrophobicContact CD1-CG1 4.25Å; I227-I237 HydrophobicContact CG1-CG1 4.12Å; I227-V301 HydrophobicContact CD1-CB 4.26Å; I227-V301 HydrophobicContact CD1-CG1 4.34Å; I227-V301 HydrophobicContact CG1-CB 4.15Å; I227-V301 HydrophobicContact CG1-CG1 4.24Å; I227-V301 HydrophobicContact CG1-CG2 4.48Å; I227-V301 HydrophobicContact CG2-CB 4.05Å; I227-V301 HydrophobicContact CG2-CG2 4Å; I227-W303 HydrophobicContact CB-CE3 3.93Å; I227-W303 HydrophobicContact CB-CZ3 3.98Å; I227-W303 HydrophobicContact CG2-CE3 3.79Å; I227-W303 HydrophobicContact CG2-CZ3 4.37Å; I227-V310 HydrophobicContact CD1-CB 3.64Å; I227-V310 HydrophobicContact CD1-CG1 4.07Å; I227-V310 HydrophobicContact CD1-CG2 3.8Å
228S98.3Very high95.3Very high0 Ų023.1 Ų23.10%011%0.112CC..EExtended strand (participates in β ladder)trans-130.6145.8174.8570000112H210 D216 I235 I236 W238H210-S228 PolarHBondContact CD2-OG 2.82Å; H210-S228 PolarHBondContact NE2-OG 3.2Å; D216-S228 WeakPolarHBondContact O-CA 3.32Å; S228-I235 WeakPolarHBondContact O-CA 3.09Å; S228-I236 PolarHBondContact N-O 2.93Å; S228-I236 PolarHBondContact O-N 3.48Å; S228-I236 VanDerWaalsContact O-N 3.11Å; S228-I236 PolarHBondContact OG-O 3.37Å; S228-W238 PolarHBondContact OG-NE1 2.8Å
229G97.9Very high95.1Very high0 Ų024.8 Ų24.80%012%0.116CC..EExtended strand (participates in β ladder)trans-120.7141.4172.600000111.7Y215 D216 V298Y215-G229 PolarHBondContact N-O 2.81Å; Y215-G229 VanDerWaalsContact N-O 3.08Å; D216-G229 PolarHBondContact O-N 2.8Å; G229-V298 CarbonylContact C-O 3.54Å
230S98.1Very high94.9Very high0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-136.7162.3-169.8165.40000113.4H210 E212 D213 D232 H233 V298H210-S230 WeakPolarHBondContact CE1-CB 3.23Å; H210-S230 WeakPolarHBondContact ND1-CB 3.34Å; E212-S230 PolarHBondContact O-OG 3.22Å; D213-S230 CarbonylContact O-C 3.5Å; D213-S230 WeakPolarHBondContact O-CA 3.25Å; D213-S230 WeakPolarHBondContact O-CB 3.31Å; D213-S230 PolarHBondContact O-OG 3.1Å; S230-D232 WeakPolarHBondContact CB-OD1 3.38Å; S230-D232 PolarHBondContact O-N 2.81Å; S230-D232 VanDerWaalsContact OG-CG 3.24Å; S230-D232 PolarHBondContact OG-N 3.36Å; S230-D232 PolarHBondContact OG-OD1 3.27Å; S230-H233 PolarHBondContact O-N 3.05Å; S230-V298 PolarHBondContact N-O 3.26Å; S230-V298 PolarHBondContact O-N 3.01Å
231V97.2Very high94.5Very high19 Ų1929.1 Ų29.112%0.11514%0.14CC..THydrogen-bonded Turntrans-53.8-25.5162.4172.20000112.3E212 D213 Y215 H233 Y297E212-V231 HydrophobicContact CB-CB 3.56Å; E212-V231 HydrophobicContact CB-CG1 3.55Å; E212-V231 HydrophobicContact CG-CG1 4.12Å; D213-V231 HydrophobicContact CB-CG2 3.93Å; D213-V231 PolarHBondContact O-N 2.71Å; Y215-V231 HydrophobicContact CD2-CG2 4.02Å; Y215-V231 HydrophobicContact CE1-CG2 4.15Å; Y215-V231 HydrophobicContact CE2-CG2 3.26Å; Y215-V231 WeakPolarHBondContact OH-CG2 3.44Å; V231-H233 PolarHBondContact O-CD2 2.73Å; V231-H233 PolarHBondContact O-N 3.38Å; V231-Y297 HydrophobicContact CB-CD1 4.15Å; V231-Y297 HydrophobicContact CG1-CD1 3.76Å; V231-Y297 HydrophobicContact CG1-CE1 3.71Å; V231-Y297 HydrophobicContact CG2-CD1 4.36Å; V231-Y297 WeakPolarHBondContact O-CD1 3.42Å
232D97.2Very high94.2Very high28 Ų2828.4 Ų28.415%0.1513%0.134CC..THydrogen-bonded Turntrans-73.712-179.775.711.7000115.2H210 L211 E212 S230 S234H210-D232 VanDerWaalsContact CA-OD2 3.26Å; H210-D232 WeakPolarHBondContact CA-OD2 3.35Å; H210-D232 IonicContact CE1-OD1 3.77Å; H210-D232 IonicContact CG-OD2 3.66Å; H210-D232 IonicContact ND1-OD1 3.81Å; H210-D232 PolarHBondContact ND1-OD1 3.23Å; H210-D232 IonicContact ND1-OD2 2.81Å; H210-D232 PolarHBondContact ND1-OD2 2.67Å; L211-D232 HydrophobicContact CB-CB 4.06Å; L211-D232 PolarHBondContact N-OD2 2.95Å; E212-D232 HydrophobicContact CB-CB 4.07Å; E212-D232 HydrophobicContact CG-CB 4.12Å; S230-D232 WeakPolarHBondContact CB-OD1 3.38Å; S230-D232 PolarHBondContact O-N 2.81Å; S230-D232 VanDerWaalsContact OG-CG 3.24Å; S230-D232 PolarHBondContact OG-N 3.36Å; S230-D232 PolarHBondContact OG-OD1 3.27Å; D232-S234 VanDerWaalsContact CG-OG 3.31Å; D232-S234 PolarHBondContact O-N 2.6Å; D232-S234 WeakPolarHBondContact OD1-CA 3.47Å; D232-S234 WeakPolarHBondContact OD1-CB 3.44Å; D232-S234 PolarHBondContact OD1-N 2.73Å; D232-S234 PolarHBondContact OD1-OG 2.65Å; D232-S234 PolarHBondContact OD2-OG 3.03Å
233H97.4Very high93.8Very high67 Ų6731.6 Ų31.631%0.3115%0.149SC..SBendtrans61.16.9-177.1-49.1166000114.4S230 V231 H296 Y297S230-H233 PolarHBondContact O-N 3.05Å; V231-H233 PolarHBondContact O-CD2 2.73Å; V231-H233 PolarHBondContact O-N 3.38Å; H233-H296 VanDerWaalsContact CD2-CA 3.4Å; H233-H296 WeakPolarHBondContact CD2-CA 3.29Å; H233-H296 PolarHBondContact CD2-O 2.87Å; H233-H296 WeakPolarHBondContact NE2-CA 3.39Å; H233-Y297 PolarHBondContact CD2-N 3.38Å; H233-Y297 AromaticContact NE2-CD1 3.86Å
234S97.6Very high92.2Very high0 Ų034.7 Ų34.70%017%0.171CC..  trans-103.7157.5-179.584.50000112.9H210 D232 L291H210-S234 PolarHBondContact CE1-OG 2.88Å; H210-S234 PolarHBondContact ND1-OG 3.02Å; D232-S234 VanDerWaalsContact CG-OG 3.31Å; D232-S234 PolarHBondContact O-N 2.6Å; D232-S234 WeakPolarHBondContact OD1-CA 3.47Å; D232-S234 WeakPolarHBondContact OD1-CB 3.44Å; D232-S234 PolarHBondContact OD1-N 2.73Å; D232-S234 PolarHBondContact OD1-OG 2.65Å; D232-S234 PolarHBondContact OD2-OG 3.03Å; S234-L291 WeakPolarHBondContact CA-O 3.44Å; S234-L291 WeakPolarHBondContact CB-O 3.25Å
235I97.9Very high90.4Very high1 Ų126.8 Ų26.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-115.7130.1168.3-64.3154.6000106.2I227 S228 I290 L291 V298 S312 Y322I227-I235 HydrophobicContact CD1-CG2 3.57Å; I227-I235 HydrophobicContact CG1-CG2 3.57Å; S228-I235 WeakPolarHBondContact O-CA 3.09Å; I235-I290 WeakPolarHBondContact O-CA 3.23Å; I235-L291 HydrophobicContact CB-CB 4.18Å; I235-L291 HydrophobicContact CB-CD1 4.32Å; I235-L291 HydrophobicContact CG2-CD1 4.08Å; I235-L291 PolarHBondContact N-O 2.87Å; I235-L291 PolarHBondContact O-N 2.86Å; I235-V298 HydrophobicContact CD1-CG1 4.45Å; I235-V298 HydrophobicContact CG1-CG1 3.96Å; I235-V298 HydrophobicContact CG1-CG2 4.26Å; I235-S312 VanDerWaalsContact CD1-OG 3.26Å; I235-S312 WeakPolarHBondContact CD1-OG 3.17Å; I235-Y322 HydrophobicContact CD1-CE2 4.03Å
236I97.6Very high88.1Confident2 Ų232.7 Ų32.71%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-115.7125.2174.7-56.1-179.9000108.7R209 I227 S228 W238 T288 I290R209-I236 HydrophobicContact CB-CD1 3.81Å; R209-I236 HydrophobicContact CG-CD1 3.96Å; I227-I236 WeakPolarHBondContact CA-O 3.5Å; S228-I236 PolarHBondContact N-O 2.93Å; S228-I236 PolarHBondContact O-N 3.48Å; S228-I236 VanDerWaalsContact O-N 3.11Å; S228-I236 PolarHBondContact OG-O 3.37Å; I236-W238 HydrophobicContact CB-CZ2 4.06Å; I236-W238 HydrophobicContact CD1-CH2 4.44Å; I236-W238 HydrophobicContact CD1-CZ2 4.07Å; I236-W238 HydrophobicContact CG2-CD2 3.72Å; I236-W238 VanDerWaalsContact CG2-CE2 3.42Å; I236-W238 HydrophobicContact CG2-CE3 4.23Å; I236-W238 HydrophobicContact CG2-CG 4.16Å; I236-W238 HydrophobicContact CG2-CH2 4.31Å; I236-W238 HydrophobicContact CG2-CZ2 3.76Å; I236-W238 HydrophobicContact CG2-CZ3 4.49Å; I236-W238 PolarHBondContact O-NE1 3.27Å; I236-T288 HydrophobicContact CG2-CG2 4.43Å; I236-I290 HydrophobicContact CG1-CG2 4.23Å
237I97.1Very high85.6Confident0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-98120.6166.6-60.9168.9000107A225 L226 I227 T288 L289 L291 W303 V310A225-I237 HydrophobicContact CB-CG2 4.49Å; L226-I237 CarbonylContact O-C 3.55Å; L226-I237 WeakPolarHBondContact O-CA 3.2Å; I227-I237 HydrophobicContact CB-CG1 4.39Å; I227-I237 HydrophobicContact CD1-CG1 4.25Å; I227-I237 HydrophobicContact CG1-CG1 4.12Å; I237-T288 CarbonylContact O-C 3.55Å; I237-T288 VanDerWaalsContact O-CA 3.29Å; I237-T288 WeakPolarHBondContact O-CA 3.43Å; I237-L289 HydrophobicContact CB-CB 4.31Å; I237-L289 HydrophobicContact CD1-CD2 4.45Å; I237-L289 PolarHBondContact N-O 3.16Å; I237-L289 PolarHBondContact O-N 3.35Å; I237-L291 HydrophobicContact CD1-CD1 4.4Å; I237-W303 HydrophobicContact CG2-CH2 3.64Å; I237-W303 HydrophobicContact CG2-CZ3 4Å; I237-V310 HydrophobicContact CD1-CG2 4.1Å
238W95.9Very high82.7Confident7 Ų738.3 Ų38.33%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-103.3128.3-179.2-48.683.6000108.4I162 L207 R209 A225 L226 S228 I236 L240 I286 T288I162-W238 HydrophobicContact CD1-CZ2 3.88Å; L207-W238 HydrophobicContact CB-CD2 4.09Å; L207-W238 HydrophobicContact CB-CE3 3.73Å; L207-W238 HydrophobicContact CB-CH2 3.83Å; L207-W238 HydrophobicContact CB-CZ2 4.22Å; L207-W238 HydrophobicContact CB-CZ3 3.61Å; L207-W238 HydrophobicContact CD1-CB 4.11Å; L207-W238 HydrophobicContact CD1-CD2 3.86Å; L207-W238 HydrophobicContact CD1-CE3 4.15Å; L207-W238 HydrophobicContact CD1-CG 3.86Å; L207-W238 HydrophobicContact CG-CE3 4.36Å; R209-W238 HydrophobicContact CB-CH2 3.35Å; R209-W238 HydrophobicContact CB-CZ2 4.24Å; R209-W238 HydrophobicContact CB-CZ3 3.82Å; A225-W238 CarbonylContact C-O 3.53Å; A225-W238 WeakPolarHBondContact CA-O 3.39Å; A225-W238 WeakPolarHBondContact CB-O 3.47Å; L226-W238 PolarHBondContact N-O 3.5Å; L226-W238 PolarHBondContact O-N 3.07Å; S228-W238 PolarHBondContact OG-NE1 2.8Å; I236-W238 HydrophobicContact CB-CZ2 4.06Å; I236-W238 HydrophobicContact CD1-CH2 4.44Å; I236-W238 HydrophobicContact CD1-CZ2 4.07Å; I236-W238 HydrophobicContact CG2-CD2 3.72Å; I236-W238 VanDerWaalsContact CG2-CE2 3.42Å; I236-W238 HydrophobicContact CG2-CE3 4.23Å; I236-W238 HydrophobicContact CG2-CG 4.16Å; I236-W238 HydrophobicContact CG2-CH2 4.31Å; I236-W238 HydrophobicContact CG2-CZ2 3.76Å; I236-W238 HydrophobicContact CG2-CZ3 4.49Å; I236-W238 PolarHBondContact O-NE1 3.27Å; W238-L240 HydrophobicContact CB-CD2 4.1Å; W238-I286 HydrophobicContact CE3-CG2 4.34Å; W238-T288 HydrophobicContact CD2-CG2 4.2Å; W238-T288 HydrophobicContact CE3-CG2 3.4Å; W238-T288 HydrophobicContact CZ3-CG2 3.83Å
239H93.6Very high79.5Confident69 Ų6940.8 Ų40.832%0.31924%0.241SC..EExtended strand (participates in β ladder)trans-87.5128.7166.7-67.2-70.3000109.4R224 K287R224-H239 WeakPolarHBondContact O-CA 3.44Å; H239-K287 HydrophobicContact CB-CB 4.16Å; H239-K287 WeakPolarHBondContact CB-O 3.47Å; H239-K287 PolarHBondContact CD2-O 2.94Å; H239-K287 PolarHBondContact N-O 3.07Å
240L91.3Very high76.2Confident8 Ų848.2 Ų48.24%0.04228%0.28CS..  trans-114.5103.2-170-60-177.5000110.2I164 L207 W219 R224 L226 W238 L242I164-L240 HydrophobicContact CD1-CD1 4.49Å; L207-L240 HydrophobicContact CD1-CD2 3.86Å; L207-L240 HydrophobicContact CD2-CD2 3.9Å; W219-L240 HydrophobicContact CE3-CD1 4.27Å; W219-L240 HydrophobicContact CH2-CD1 4.24Å; W219-L240 HydrophobicContact CZ3-CD1 3.63Å; R224-L240 PolarHBondContact O-N 2.64Å; L226-L240 HydrophobicContact CB-CD1 3.85Å; W238-L240 HydrophobicContact CB-CD2 4.1Å; L240-L242 HydrophobicContact CB-CD1 4.15Å; L240-L242 HydrophobicContact CB-CG 4.09Å; L240-L242 HydrophobicContact CD1-CD1 4.27Å; L240-L242 PolarHBondContact O-N 2.94Å
241D86.4Confident73Confident98 Ų9853.5 Ų53.552%0.52431%0.314SS..  trans-75.471.5168.6-56.6-48.8000108.9R205R205-D241 PolarHBondContact NH2-O 3.45Å
242L83.7Confident70Confident30 Ų3057.2 Ų57.216%0.15735%0.347CS..PPolyproline II helixtrans-89.5153.2170.4-65.9170.6000109.6Y152 I164 R205 W219 L240 P244Y152-L242 HydrophobicContact CD1-CD1 4.46Å; Y152-L242 HydrophobicContact CD1-CD2 4.39Å; Y152-L242 HydrophobicContact CD2-CD1 3.91Å; Y152-L242 HydrophobicContact CE1-CD2 4.07Å; Y152-L242 HydrophobicContact CE2-CB 4.02Å; Y152-L242 HydrophobicContact CE2-CD1 4.07Å; Y152-L242 HydrophobicContact CE2-CG 4.46Å; Y152-L242 HydrophobicContact CG-CD1 4.11Å; I164-L242 HydrophobicContact CG2-CD1 4.41Å; I164-L242 HydrophobicContact CG2-CD2 4.36Å; R205-L242 HydrophobicContact CG-CD2 3.89Å; W219-L242 HydrophobicContact CH2-CD1 3.93Å; W219-L242 HydrophobicContact CZ3-CD1 3.81Å; L240-L242 HydrophobicContact CB-CD1 4.15Å; L240-L242 HydrophobicContact CB-CG 4.09Å; L240-L242 HydrophobicContact CD1-CD1 4.27Å; L240-L242 PolarHBondContact O-N 2.94Å; L242-P244 WeakPolarHBondContact O-CD 3.33Å
243I75Confident67Low132 Ų13263.9 Ų63.968%0.67738%0.377SS*.PPolyproline II helixtrans-74.6122.4174.6-59.4174.5000107.1Y152 S245Y152-I243 PolarHBondContact OH-O 2.93Å; I243-S245 PolarHBondContact O-N 2.67Å; I243-S245 VanDerWaalsContact O-N 3.13Å
244P56.4Low63.7Low83 Ų8367.8 Ų67.854%0.53940%0.401SS..PPolyproline II helixtrans-58121.3171.9-23.435.2000109.2L242 A249L242-P244 WeakPolarHBondContact O-CD 3.33Å; P244-A249 HydrophobicContact CB-CB 4.2Å
245S52.6Low60.6Low13 Ų1378.1 Ų78.19%0.09145%0.446CS..PPolyproline II helixtrans-62.9157.1179.164.60000110.6D151 I243 S247 S248 A249D151-S245 WeakPolarHBondContact OD2-CB 3.13Å; D151-S245 PolarHBondContact OD2-OG 3.48Å; I243-S245 PolarHBondContact O-N 2.67Å; I243-S245 VanDerWaalsContact O-N 3.13Å; S245-S247 PolarHBondContact O-N 2.85Å; S245-S247 WeakPolarHBondContact OG-CB 3.48Å; S245-S247 PolarHBondContact OG-OG 2.81Å; S245-S248 CarbonylContact O-C 3.45Å; S245-S248 WeakPolarHBondContact O-CA 3.27Å; S245-S248 WeakPolarHBondContact O-CB 3.22Å; S245-S248 PolarHBondContact O-N 3.38Å; S245-S248 WeakPolarHBondContact OG-CB 3.48Å; S245-A249 PolarHBondContact O-N 2.83Å
246P44.3Very low57.4Low129 Ų12982.5 Ų82.584%0.83848%0.476SS*.THydrogen-bonded Turntrans-62.9-9.8172.426.3-34.8000113.2S248P246-S248 VanDerWaalsContact C-N 3.33Å
247S45.1Very low54.3Low66 Ų6688 Ų8846%0.46252%0.515SS..THydrogen-bonded Turntrans-75-20.2167.8-29.70000113.7D151 S245D151-S247 VanDerWaalsContact OD2-CB 3.27Å; D151-S247 WeakPolarHBondContact OD2-CB 3.45Å; D151-S247 PolarHBondContact OD2-OG 3.17Å; S245-S247 PolarHBondContact O-N 2.85Å; S245-S247 WeakPolarHBondContact OG-CB 3.48Å; S245-S247 PolarHBondContact OG-OG 2.81Å
248S36Very low51.7Low53 Ų5395.2 Ų95.237%0.37156%0.559SS.*THydrogen-bonded Turntrans-120.8-26.9-166.9-174.70000112.4S245 P246S245-S248 CarbonylContact O-C 3.45Å; S245-S248 WeakPolarHBondContact O-CA 3.27Å; S245-S248 WeakPolarHBondContact O-CB 3.22Å; S245-S248 PolarHBondContact O-N 3.38Å; S245-S248 WeakPolarHBondContact OG-CB 3.48Å; P246-S248 VanDerWaalsContact C-N 3.33Å
249A30.4Very low48.6Very low51 Ų5198.4 Ų98.442%0.42159%0.594SS.*PPolyproline II helixtrans-88123.7177.600000112.5P244 S245P244-A249 HydrophobicContact CB-CB 4.2Å; S245-A249 PolarHBondContact O-N 2.83Å
250L29.4Very low45.8Very low156 Ų156104.4 Ų104.482%0.81762%0.622SS**PPolyproline II helixtrans-65.7154.6154.1-69.1170.3000109.5
251P30.3Very low43.2Very low112 Ų112111 Ų11173%0.72766%0.663SS**PPolyproline II helixtrans-55.3141.9171.7-22.933.9000111.4E253P251-E253 PolarHBondContact O-N 3.16Å
252A35Very low41Very low97 Ų97109.7 Ų109.780%0.80267%0.671SS**PPolyproline II helixtrans-71.9118.116500000108D254A252-D254 PolarHBondContact O-N 3.34Å
253E33.1Very low38.9Very low167 Ų167113 Ų11378%0.7870%0.695SS**PPolyproline II helixtrans-59.9126.7176.6-68.4-79.6147.800110.5P251 F255P251-E253 PolarHBondContact O-N 3.16Å; E253-F255 PolarHBondContact O-N 2.94Å; E253-F255 VanDerWaalsContact O-N 3.07Å
254D29.4Very low37Very low150 Ų150114.5 Ų114.580%0.80270%0.699SS**  trans-65.8105.2174.8-88.3-47.8000110.3A252 S256A252-D254 PolarHBondContact O-N 3.34Å; D254-S256 VanDerWaalsContact C-N 3.27Å; D254-S256 PolarHBondContact O-N 3.17Å
255F32.7Very low36.2Very low217 Ų217118.5 Ų118.595%0.95272%0.716SS**  trans-68.883.7172.7-88.1-84000111.3E253E253-F255 PolarHBondContact O-N 2.94Å; E253-F255 VanDerWaalsContact O-N 3.07Å
256S30.2Very low35.5Very low92 Ų92124.6 Ų124.664%0.64375%0.747SS**  trans-132.6152.6169.267.80000111D254D254-S256 VanDerWaalsContact C-N 3.27Å; D254-S256 PolarHBondContact O-N 3.17Å
257S33.3Very low35.4Very low118 Ų118123.9 Ų123.983%0.82574%0.743SS**  trans72.552172.972.60000119.9
258V40.6Very low34.9Very low152 Ų152124.8 Ų124.892%0.92175%0.749SS**  trans-139.5134136.9-167.10000108.1
259G31.7Very low34.9Very low74 Ų74129.9 Ų129.976%0.76377%0.773SS**  cis148.253.5-400000113.2
260E35.4Very low35.2Very low195 Ų195139.1 Ų139.191%0.91180%0.797SS**  trans-140.2156.6-179.1-160.2161.6-139.600111.9
261V35.7Very low35.7Very low147 Ų147137.4 Ų137.489%0.89180%0.795SS**  trans-121.7125.5-162178.10000111.6
262G40.2Very low35.8Very low69 Ų69140.3 Ų140.371%0.71180%0.798SS**  trans-160.5125.5170.700000110.1
263P40.1Very low36.2Very low101 Ų101143.4 Ų143.466%0.65680%0.802SS**  trans-92.3164.5-165.636.8-37.6000115
264E34.2Very low36.9Very low162 Ų162139.9 Ų139.976%0.75780%0.801SS**  trans43.9107.715070.2-142.114300120.4
265N41Very low37.5Very low167 Ų167139 Ų13989%0.89380%0.803SS**  -169.9129.4114.4-100.1-67.8000111.5
266N37.8Very low38.1Very low141 Ų141133 Ų13375%0.75479%0.794SS**  trans-119134.2172.3-175.219.8000106.8S268N266-S268 PolarHBondContact OD1-N 3.09Å
267P42.3Very low38.4Very low115 Ų115134.6 Ų134.675%0.74780%0.802SS**  -146.3145.8102.735.8-19.5000116
268S33.4Very low38.5Very low85 Ų85134.2 Ų134.259%0.59480%0.799SS**  trans-33.5132.7153.852.30000115.8N266N266-S268 PolarHBondContact OD1-N 3.09Å
269N37.3Very low38.4Very low160 Ų160131.2 Ų131.286%0.85679%0.791SS**  trans172.397.8136.4-92.9-38.4000114.2
270R36.5Very low38.6Very low245 Ų245134.9 Ų134.993%0.92579%0.793SS**  trans-164.6141.5139.7-130.6153.3-167.4-106.6-3.9112.8
271P38.7Very low38.6Very low120 Ų120132 Ų13278%0.77979%0.789SS**  trans-91.6-176.4-176.537.9-37.8000113.8
272E33.9Very low38.9Very low172 Ų172130.1 Ų130.180%0.80478%0.782SS**SBendtrans-58.5169.1-177.2-59.3162.2111.900115.4
273N43.4Very low38.8Very low163 Ų163134.3 Ų134.387%0.87278%0.783SS**  trans84.575.5175.8-52.8-75.7000116.5
274A46.5Very low39.4Very low93 Ų93133.7 Ų133.777%0.76978%0.779SS**  trans-138.9132.5148.800000109
275P43Very low40.5Very low131 Ų131131.3 Ų131.385%0.85178%0.776SS**PPolyproline II helixtrans-72.4132.9176.829.6-33.4000110.5
276A45.7Very low42Very low92 Ų92126.1 Ų126.176%0.7675%0.747SS**PPolyproline II helixtrans-67.3143.4174.200000110.9
277P36.8Very low44.1Very low125 Ų125126.7 Ų126.781%0.81274%0.743SS**PPolyproline II helixtrans-67.8140.1-179.228.2-34.9000111.5A279P277-A279 PolarHBondContact O-N 2.92Å; P277-A279 VanDerWaalsContact O-N 3.12Å
278S34.8Very low46.4Very low109 Ų109122.8 Ų122.876%0.76272%0.717SS**  trans-66.2108-179.854.40000111.7N280S278-N280 PolarHBondContact O-N 3.25Å
279A38.8Very low49.3Very low89 Ų89120.2 Ų120.274%0.73670%0.697SS**  trans-71.1114.5172.800000110.3P277 T281P277-A279 PolarHBondContact O-N 2.92Å; P277-A279 VanDerWaalsContact O-N 3.12Å; A279-T281 PolarHBondContact O-N 3.21Å
280N35.4Very low52.1Low152 Ų152114.4 Ų114.481%0.81367%0.665SS**  trans-64.6107.9177.8-72.9-28.7000110.6S278 S282S278-N280 PolarHBondContact O-N 3.25Å; N280-S282 PolarHBondContact O-N 2.73Å
281T34.7Very low55Low134 Ų134102.9 Ų102.982%0.82262%0.622SS**  trans-72.498177.3-52.90000111A279 Q283A279-T281 PolarHBondContact O-N 3.21Å; T281-Q283 PolarHBondContact O-N 2.94Å
282S41.5Very low57.7Low108 Ų108104.7 Ų104.776%0.75561%0.613SS**  trans-69.7119.8164.4400000110N280N280-S282 PolarHBondContact O-N 2.73Å
283Q40.2Very low60.6Low156 Ų156100.2 Ų100.273%0.72960%0.595SS**  trans-55.7134.5171.2-76-78.6-10.500110.2T281 T285T281-Q283 PolarHBondContact O-N 2.94Å; Q283-T285 PolarHBondContact O-N 3.43Å
284P52.2Low63.2Low89 Ų8992.9 Ų92.958%0.57856%0.555SS**  trans-66.5108.2178.826.6-33.3000110I286P284-I286 PolarHBondContact O-N 3Å
285T57.8Low65.6Low112 Ų11296.3 Ų96.369%0.68755%0.553SS**  trans-87.5108.1-177.141.60000110.8Q283 K287Q283-T285 PolarHBondContact O-N 3.43Å; T285-K287 PolarHBondContact O-N 3.38Å
286I70.5Confident68.1Low57 Ų5792.6 Ų92.629%0.29252%0.524SS..  trans-53.9113.2174.2-67.7176000109.2L207 W238 P284 T288L207-I286 HydrophobicContact CD2-CD1 3.76Å; W238-I286 HydrophobicContact CE3-CG2 4.34Å; P284-I286 PolarHBondContact O-N 3Å; I286-T288 HydrophobicContact CG2-CG2 3.98Å; I286-T288 PolarHBondContact O-N 2.95Å
287K83.2Confident70.5Confident153 Ų15391.7 Ų91.767%0.66550%0.502SS*.  trans-74.4126.1177.6-65.4170.2-174.6164.60108.5H239 T285H239-K287 HydrophobicContact CB-CB 4.16Å; H239-K287 WeakPolarHBondContact CB-O 3.47Å; H239-K287 PolarHBondContact CD2-O 2.94Å; H239-K287 PolarHBondContact N-O 3.07Å; T285-K287 PolarHBondContact O-N 3.38Å
288T90.3Very high73.4Confident33 Ų3385.7 Ų85.720%0.20246%0.463CS..EExtended strand (participates in β ladder)trans-127.4132.4180640000111.2R209 I236 I237 W238 I286R209-T288 PolarHBondContact NH1-OG1 2.96Å; I236-T288 HydrophobicContact CG2-CG2 4.43Å; I237-T288 CarbonylContact O-C 3.55Å; I237-T288 VanDerWaalsContact O-CA 3.29Å; I237-T288 WeakPolarHBondContact O-CA 3.43Å; W238-T288 HydrophobicContact CD2-CG2 4.2Å; W238-T288 HydrophobicContact CE3-CG2 3.4Å; W238-T288 HydrophobicContact CZ3-CG2 3.83Å; I286-T288 HydrophobicContact CG2-CG2 3.98Å; I286-T288 PolarHBondContact O-N 2.95Å
289L94.6Very high76.3Confident32 Ų3280.7 Ų80.717%0.16843%0.428CS..EExtended strand (participates in β ladder)trans-104.9121.9171.8-177.864.9000109.9I237 L291 K327I237-L289 HydrophobicContact CB-CB 4.31Å; I237-L289 HydrophobicContact CD1-CD2 4.45Å; I237-L289 PolarHBondContact N-O 3.16Å; I237-L289 PolarHBondContact O-N 3.35Å; L289-L291 HydrophobicContact CD2-CD2 4.39Å; L289-L291 HydrophobicContact CG-CD2 4.32Å; L289-K327 HydrophobicContact CD1-CD 4.28Å; L289-K327 HydrophobicContact CD1-CG 3.74Å; L289-K327 HydrophobicContact CD2-CG 4.47Å; L289-K327 HydrophobicContact CG-CG 4.4Å
290I96Very high79.1Confident37 Ų3776.5 Ų76.519%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-101.6131.1177.2-39.4175.8000110.1I235 I236 R292 K327I235-I290 WeakPolarHBondContact O-CA 3.23Å; I236-I290 HydrophobicContact CG1-CG2 4.23Å; I290-R292 HydrophobicContact CG2-CG 3.9Å; I290-K327 VanDerWaalsContact O-CE 3.29Å; I290-K327 WeakPolarHBondContact O-CE 3.45Å; I290-K327 PolarHBondContact O-NZ 3.24Å
291L96.7Very high82.1Confident4 Ų469.4 Ų69.42%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-111.8139.2169-41.3171.4000108S234 I235 I237 L289 Y322 K327S234-L291 WeakPolarHBondContact CA-O 3.44Å; S234-L291 WeakPolarHBondContact CB-O 3.25Å; I235-L291 HydrophobicContact CB-CB 4.18Å; I235-L291 HydrophobicContact CB-CD1 4.32Å; I235-L291 HydrophobicContact CG2-CD1 4.08Å; I235-L291 PolarHBondContact N-O 2.87Å; I235-L291 PolarHBondContact O-N 2.86Å; I237-L291 HydrophobicContact CD1-CD1 4.4Å; L289-L291 HydrophobicContact CD2-CD2 4.39Å; L289-L291 HydrophobicContact CG-CD2 4.32Å; L291-Y322 HydrophobicContact CB-CE1 4.29Å; L291-Y322 HydrophobicContact CD1-CD1 3.77Å; L291-Y322 HydrophobicContact CD1-CD2 3.84Å; L291-Y322 HydrophobicContact CD1-CE1 3.81Å; L291-Y322 HydrophobicContact CD1-CE2 3.89Å; L291-Y322 HydrophobicContact CD1-CG 3.78Å; L291-Y322 HydrophobicContact CD2-CD1 4.38Å; L291-Y322 HydrophobicContact CD2-CE1 4.33Å; L291-Y322 HydrophobicContact CG-CE1 4.37Å; L291-K327 HydrophobicContact CD2-CB 4.11Å; L291-K327 HydrophobicContact CD2-CG 3.9Å
292R96Very high85.2Confident157 Ų15763.3 Ų63.359%0.59232%0.318SS*.  trans-140.335.7-173.3-71.6-170.5168.2-175.6-7.3112.3I290I290-R292 HydrophobicContact CG2-CG 3.9Å
293D95.6Very high87.8Confident79 Ų7959.4 Ų59.442%0.42229%0.287SS..  trans-91-15.5-173.8-41.4-69.6000112.8R320 Y322D293-R320 VanDerWaalsContact O-CZ 3.25Å; D293-R320 PolarHBondContact O-NE 3.11Å; D293-R320 PolarHBondContact O-NH2 2.89Å; D293-Y322 VanDerWaalsContact OD2-CE1 3.24Å; D293-Y322 WeakPolarHBondContact OD2-CE1 3.48Å; D293-Y322 PolarHBondContact OD2-OH 2.94Å
294H97Very high90.4Very high8 Ų852 Ų524%0.03725%0.252CS..  trans-73.6151.9172.1-80.8-91.2000111.5V298 S312 S314 D316 A318 R320H294-V298 HydrophobicContact CB-CG2 3.87Å; H294-S312 PolarHBondContact NE2-OG 2.8Å; H294-S314 VanDerWaalsContact CE1-CB 3.46Å; H294-S314 WeakPolarHBondContact CE1-CB 3.47Å; H294-S314 WeakPolarHBondContact ND1-CB 3.48Å; H294-S314 PolarHBondContact ND1-OG 2.78Å; H294-D316 WeakPolarHBondContact CA-OD2 3.26Å; H294-D316 IonicContact CE1-OD1 3.29Å; H294-D316 IonicContact CG-OD1 3.34Å; H294-D316 IonicContact ND1-OD1 3.97Å; H294-D316 PolarHBondContact ND1-OD1 3.32Å; H294-D316 IonicContact ND1-OD2 2.88Å; H294-A318 PolarHBondContact CE1-O 2.98Å; H294-R320 PolarHBondContact CE1-NH1 3.36Å; H294-R320 VanDerWaalsContact CG-NH1 3.33Å; H294-R320 PolarHBondContact ND1-NH1 2.93Å
295K96.1Very high92.2Very high165 Ų16549.8 Ų49.872%0.71724%0.237SC*.SBendtrans-113.92.6-177.5-58.4-174.5178.7-175.20114.6D316K295-D316 HydrophobicContact CB-CB 4.01Å; K295-D316 PolarHBondContact N-OD2 3.48Å
296H95.9Very high93.7Very high54 Ų5445.3 Ų45.325%0.2521%0.209CC..SBendtrans-150.5177177.2-134.7-93.7000109.3H233 V298 S314 S315 D316 D345H233-H296 VanDerWaalsContact CD2-CA 3.4Å; H233-H296 WeakPolarHBondContact CD2-CA 3.29Å; H233-H296 PolarHBondContact CD2-O 2.87Å; H233-H296 WeakPolarHBondContact NE2-CA 3.39Å; H296-V298 PolarHBondContact O-N 2.96Å; H296-S314 PolarHBondContact O-OG 3.2Å; H296-S315 WeakPolarHBondContact ND1-CB 3.34Å; H296-D316 HydrophobicContact CB-CB 3.92Å; H296-D345 IonicContact CE1-OD1 2.78Å; H296-D345 PolarHBondContact CE1-OD1 2.86Å; H296-D345 IonicContact CE1-OD2 3.18Å; H296-D345 PolarHBondContact CE1-OD2 3.41Å; H296-D345 VanDerWaalsContact CE1-OD2 3.29Å; H296-D345 IonicContact ND1-OD1 3.4Å; H296-D345 PolarHBondContact ND1-OD1 3.13Å; H296-D345 IonicContact ND1-OD2 3.94Å
297Y96.2Very high94.7Very high72 Ų7243 Ų4328%0.28220%0.2SC..  trans-44.4131.3178.8-44.7-35.2000112.6V231 H233 S314 S315 D345V231-Y297 HydrophobicContact CB-CD1 4.15Å; V231-Y297 HydrophobicContact CG1-CD1 3.76Å; V231-Y297 HydrophobicContact CG1-CE1 3.71Å; V231-Y297 HydrophobicContact CG2-CD1 4.36Å; V231-Y297 WeakPolarHBondContact O-CD1 3.42Å; H233-Y297 PolarHBondContact CD2-N 3.38Å; H233-Y297 AromaticContact NE2-CD1 3.86Å; Y297-S314 WeakPolarHBondContact O-CA 3.45Å; Y297-S314 WeakPolarHBondContact O-CB 3.25Å; Y297-S314 PolarHBondContact O-OG 3.45Å; Y297-S315 PolarHBondContact O-N 2.84Å; Y297-D345 VanDerWaalsContact CD2-OD1 3.31Å; Y297-D345 WeakPolarHBondContact CD2-OD1 3.24Å
298V97.6Very high95.1Very high0 Ų039 Ų390%018%0.182CC..EExtended strand (participates in β ladder)trans-95.8113.7175.1-175.20000108.2G229 S230 I235 H294 H296 V301G229-V298 CarbonylContact C-O 3.54Å; S230-V298 PolarHBondContact N-O 3.26Å; S230-V298 PolarHBondContact O-N 3.01Å; I235-V298 HydrophobicContact CD1-CG1 4.45Å; I235-V298 HydrophobicContact CG1-CG1 3.96Å; I235-V298 HydrophobicContact CG1-CG2 4.26Å; H294-V298 HydrophobicContact CB-CG2 3.87Å; H296-V298 PolarHBondContact O-N 2.96Å; V298-V301 HydrophobicContact CG1-CG1 4.1Å
299Q97.2Very high95.3Very high4 Ų440.1 Ų40.12%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-117-0.7-161.2-64.6-175.6-65.800113.7Y215 L313 S315 S349 F350 R352Y215-Q299 HydrophobicContact CD2-CB 4.49Å; Y215-Q299 HydrophobicContact CD2-CG 3.75Å; Y215-Q299 HydrophobicContact CE2-CG 4.09Å; Q299-L313 PolarHBondContact N-O 2.77Å; Q299-S315 PolarHBondContact OE1-OG 3.09Å; Q299-S315 VanDerWaalsContact OE1-OG 3.05Å; Q299-S349 PolarHBondContact NE2-O 3.13Å; Q299-F350 WeakPolarHBondContact CB-O 3.47Å; Q299-F350 WeakPolarHBondContact CG-O 3.46Å; Q299-F350 VanDerWaalsContact NE2-C 3.3Å; Q299-F350 PolarHBondContact NE2-O 3.19Å; Q299-R352 HydrophobicContact CB-CB 3.91Å; Q299-R352 HydrophobicContact CB-CG 3.68Å; Q299-R352 PolarHBondContact O-N 3.02Å
300G97.6Very high95.4Very high0 Ų038.6 Ų38.60%018%0.175CC..EExtended strand (participates in β ladder)trans-157139.9170.100000110.6D216 S312 L313 R352 L354D216-G300 WeakPolarHBondContact OD2-CA 3.27Å; G300-S312 WeakPolarHBondContact O-CA 3.35Å; G300-L313 PolarHBondContact N-O 3.07Å; G300-L313 PolarHBondContact O-N 3.1Å; G300-R352 WeakPolarHBondContact CA-O 3.44Å; G300-L354 WeakPolarHBondContact O-CD2 3.43Å
301V98.2Very high95.5Very high4 Ų436.8 Ų36.82%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-135.9139.2174.3-68.60000110.3D216 C218 I227 V298 A311D216-V301 HydrophobicContact CB-CG2 4.24Å; D216-V301 WeakPolarHBondContact O-CG2 3.27Å; D216-V301 PolarHBondContact OD2-N 2.82Å; C218-V301 HydrophobicContact CB-CG2 4.43Å; C218-V301 WeakPolarHBondContact CB-O 3.47Å; I227-V301 HydrophobicContact CD1-CB 4.26Å; I227-V301 HydrophobicContact CD1-CG1 4.34Å; I227-V301 HydrophobicContact CG1-CB 4.15Å; I227-V301 HydrophobicContact CG1-CG1 4.24Å; I227-V301 HydrophobicContact CG1-CG2 4.48Å; I227-V301 HydrophobicContact CG2-CB 4.05Å; I227-V301 HydrophobicContact CG2-CG2 4Å; V298-V301 HydrophobicContact CG1-CG1 4.1Å; V301-A311 WeakPolarHBondContact CA-O 3.09Å
302A98.1Very high95.6Very high5 Ų536.6 Ų36.64%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-136.9135.617900000111.1V310 A311 L354 F356A302-V310 WeakPolarHBondContact O-CA 3.49Å; A302-A311 PolarHBondContact N-O 3Å; A302-A311 PolarHBondContact O-N 3.04Å; A302-L354 HydrophobicContact CB-CD2 4.14Å; A302-L354 HydrophobicContact CB-CG 3.94Å; A302-F356 HydrophobicContact CB-CD2 4Å; A302-F356 HydrophobicContact CB-CE2 4.16Å
303W96.7Very high95.7Very high27 Ų2729.1 Ų29.110%0.10214%0.137CC..EExtended strand (participates in β ladder)trans-92.4137.8169.2-146.6-61000109.6C218 W219 P221 A225 I227 I237 V310 A324 F356C218-W303 PolarHBondContact SG-N 2.88Å; W219-W303 VanDerWaalsContact O-CB 3.28Å; W219-W303 WeakPolarHBondContact O-CB 3.12Å; P221-W303 VanDerWaalsContact CD-CD1 3.47Å; A225-W303 HydrophobicContact CB-CH2 3.42Å; A225-W303 VanDerWaalsContact CB-CH2 3.42Å; A225-W303 HydrophobicContact CB-CZ2 4.26Å; A225-W303 HydrophobicContact CB-CZ3 3.79Å; I227-W303 HydrophobicContact CB-CE3 3.93Å; I227-W303 HydrophobicContact CB-CZ3 3.98Å; I227-W303 HydrophobicContact CG2-CE3 3.79Å; I227-W303 HydrophobicContact CG2-CZ3 4.37Å; I237-W303 HydrophobicContact CG2-CH2 3.64Å; I237-W303 HydrophobicContact CG2-CZ3 4Å; W303-V310 HydrophobicContact CD2-CG1 3.51Å; W303-V310 HydrophobicContact CE3-CG1 3.87Å; W303-V310 HydrophobicContact CG-CG1 3.86Å; W303-V310 HydrophobicContact CH2-CG1 4.34Å; W303-V310 HydrophobicContact CZ2-CG1 4.05Å; W303-V310 HydrophobicContact CZ3-CG1 4.26Å; W303-A324 HydrophobicContact CZ2-CB 4.08Å; W303-F356 WeakPolarHBondContact O-CD2 3.42Å
304D94.3Very high95.7Very high0 Ų025.4 Ų25.40%012%0.117CC..  trans-62.1128.7169.6166.830.6000110.6P221 L306 G307 F308 Y309 F356 R415P221-D304 WeakPolarHBondContact CG-O 3.39Å; D304-L306 PolarHBondContact O-N 3.01Å; D304-L306 PolarHBondContact OD1-N 2.87Å; D304-G307 VanDerWaalsContact O-CA 3.27Å; D304-G307 WeakPolarHBondContact O-CA 3.33Å; D304-G307 PolarHBondContact O-N 3.36Å; D304-G307 PolarHBondContact OD2-N 2.9Å; D304-F308 PolarHBondContact OD2-N 2.91Å; D304-Y309 WeakPolarHBondContact CB-O 3.4Å; D304-Y309 PolarHBondContact N-O 2.99Å; D304-Y309 PolarHBondContact OD2-N 3.21Å; D304-F356 HydrophobicContact CB-CD2 4.47Å; D304-F356 HydrophobicContact CB-CE1 4.47Å; D304-F356 HydrophobicContact CB-CE2 4.19Å; D304-F356 HydrophobicContact CB-CZ 4.19Å; D304-R415 VanDerWaalsContact CG-NH1 3.28Å; D304-R415 IonicContact OD1-CZ 2.76Å; D304-R415 IonicContact OD1-NH1 3.63Å; D304-R415 PolarHBondContact OD1-NH1 2.92Å; D304-R415 IonicContact OD1-NH2 2.77Å; D304-R415 IonicContact OD2-CZ 3.45Å; D304-R415 IonicContact OD2-NH1 3.24Å; D304-R415 PolarHBondContact OD2-NH1 3.06Å; D304-R415 IonicContact OD2-NH2 3.7Å; D304-R415 PolarHBondContact OD2-NH2 3.17Å
305P91.7Very high95.6Very high42 Ų4225.2 Ų25.227%0.27312%0.116SC..THydrogen-bonded Turntrans-63-26.2177.826.4-35.6000112.9P221 G307 F356 S357P221-P305 WeakPolarHBondContact CB-O 3.27Å; P221-P305 VanDerWaalsContact CG-O 3.27Å; P221-P305 WeakPolarHBondContact CG-O 3.49Å; P305-G307 PolarHBondContact O-N 2.81Å; P305-F356 HydrophobicContact CG-CB 4.49Å; P305-S357 WeakPolarHBondContact CG-O 3.47Å
306L89.2Confident95.6Very high18 Ų1818.9 Ų18.99%0.0949%0.091CC..THydrogen-bonded Turntrans-77.4-12.5171.6-54.7-176.5000112.3R41 L44 L47 D304 F308R41-L306 WeakPolarHBondContact CD-O 3.11Å; R41-L306 VanDerWaalsContact NH1-C 3.31Å; R41-L306 PolarHBondContact NH1-O 2.66Å; L44-L306 HydrophobicContact CD2-CD1 3.88Å; L44-L306 HydrophobicContact CD2-CD2 4.43Å; L44-L306 HydrophobicContact CG-CD1 4.23Å; L47-L306 HydrophobicContact CD1-CD2 4.21Å; D304-L306 PolarHBondContact O-N 3.01Å; D304-L306 PolarHBondContact OD1-N 2.87Å; L306-F308 HydrophobicContact CB-CD2 3.78Å; L306-F308 HydrophobicContact CB-CE2 4.04Å; L306-F308 WeakPolarHBondContact O-CD2 3.46Å
307G90Very high95.5Very high9 Ų918.6 Ų18.69%0.0939%0.087CC..SBendtrans81.75.5171.200000116.7D304 P305 A324D304-G307 VanDerWaalsContact O-CA 3.27Å; D304-G307 WeakPolarHBondContact O-CA 3.33Å; D304-G307 PolarHBondContact O-N 3.36Å; D304-G307 PolarHBondContact OD2-N 2.9Å; P305-G307 PolarHBondContact O-N 2.81Å; G307-A324 WeakPolarHBondContact O-CB 3.41Å
308F91.7Very high95.5Very high69 Ų6915.1 Ų15.130%0.3037%0.074SC..SBendtrans-83.1-27.7-178.8-65.5-87.9000113.2R41 D304 L306 A324R41-F308 HydrophobicContact CB-CE1 4.47Å; R41-F308 HydrophobicContact CB-CE2 3.85Å; R41-F308 HydrophobicContact CB-CZ 3.72Å; R41-F308 WeakPolarHBondContact O-CZ 3.43Å; D304-F308 PolarHBondContact OD2-N 2.91Å; L306-F308 HydrophobicContact CB-CD2 3.78Å; L306-F308 HydrophobicContact CB-CE2 4.04Å; L306-F308 WeakPolarHBondContact O-CD2 3.46Å; F308-A324 PolarHBondContact O-N 2.86Å
309Y95.4Very high95.5Very high56 Ų5615.2 Ų15.222%0.227%0.074CC..EExtended strand (participates in β ladder)trans-125.2157.6-174.7-48.6-53.6000113.3D304 I321 Y322 L330 R415 F418D304-Y309 WeakPolarHBondContact CB-O 3.4Å; D304-Y309 PolarHBondContact N-O 2.99Å; D304-Y309 PolarHBondContact OD2-N 3.21Å; Y309-I321 HydrophobicContact CG-CG2 4.34Å; Y309-Y322 CarbonylContact C-O 3.56Å; Y309-Y322 VanDerWaalsContact CA-O 3.22Å; Y309-Y322 WeakPolarHBondContact CA-O 3.42Å; Y309-L330 HydrophobicContact CD1-CD1 3.58Å; Y309-L330 HydrophobicContact CE1-CD1 3.37Å; Y309-R415 HydrophobicContact CE2-CG 4.1Å; Y309-F418 AromaticContact CD2-CE2 3.78Å; Y309-F418 HydrophobicContact CD2-CE2 3.78Å; Y309-F418 AromaticContact CD2-CZ 3.88Å; Y309-F418 HydrophobicContact CD2-CZ 3.88Å; Y309-F418 AromaticContact CE2-CE2 3.71Å; Y309-F418 HydrophobicContact CE2-CE2 3.71Å; Y309-F418 HydrophobicContact CE2-CZ 4.11Å; Y309-F418 HydrophobicContact CG-CE2 4.44Å
310V97.1Very high95.5Very high0 Ų015.7 Ų15.70%08%0.076CC..EExtended strand (participates in β ladder)trans-128.2142.8160-62.60000109.2I227 I237 A302 W303 I321 Y322 A324I227-V310 HydrophobicContact CD1-CB 3.64Å; I227-V310 HydrophobicContact CD1-CG1 4.07Å; I227-V310 HydrophobicContact CD1-CG2 3.8Å; I237-V310 HydrophobicContact CD1-CG2 4.1Å; A302-V310 WeakPolarHBondContact O-CA 3.49Å; W303-V310 HydrophobicContact CD2-CG1 3.51Å; W303-V310 HydrophobicContact CE3-CG1 3.87Å; W303-V310 HydrophobicContact CG-CG1 3.86Å; W303-V310 HydrophobicContact CH2-CG1 4.34Å; W303-V310 HydrophobicContact CZ2-CG1 4.05Å; W303-V310 HydrophobicContact CZ3-CG1 4.26Å; V310-I321 WeakPolarHBondContact O-CA 3.44Å; V310-Y322 HydrophobicContact CG2-CD2 4.42Å; V310-Y322 PolarHBondContact N-O 3.03Å; V310-Y322 PolarHBondContact O-N 2.82Å; V310-A324 HydrophobicContact CG1-CB 4.29Å
311A98Very high95.5Very high0 Ų015.7 Ų15.70%08%0.076CC..EExtended strand (participates in β ladder)trans-118.7147.1-178.300000110.5V301 A302 R320 I321 L354 F356 L363V301-A311 WeakPolarHBondContact CA-O 3.09Å; A302-A311 PolarHBondContact N-O 3Å; A302-A311 PolarHBondContact O-N 3.04Å; A311-R320 WeakPolarHBondContact CA-O 3.42Å; A311-I321 HydrophobicContact CB-CD1 3.5Å; A311-I321 VanDerWaalsContact CB-CD1 3.5Å; A311-L354 HydrophobicContact CB-CD1 3.75Å; A311-F356 HydrophobicContact CB-CE2 3.79Å; A311-F356 HydrophobicContact CB-CZ 3.92Å; A311-L363 HydrophobicContact CB-CD1 4.18Å; A311-L363 HydrophobicContact CB-CD2 3.89Å
312S98.1Very high95.4Very high0 Ų015.6 Ų15.60%08%0.075CC..EExtended strand (participates in β ladder)trans-141.7148.3179.855.90000111.5I235 H294 G300 C319 R320I235-S312 VanDerWaalsContact CD1-OG 3.26Å; I235-S312 WeakPolarHBondContact CD1-OG 3.17Å; H294-S312 PolarHBondContact NE2-OG 2.8Å; G300-S312 WeakPolarHBondContact O-CA 3.35Å; S312-C319 CarbonylContact O-C 3.59Å; S312-C319 WeakPolarHBondContact O-CA 3.29Å; S312-C319 PolarHBondContact O-SG 3.35Å; S312-R320 PolarHBondContact N-O 2.93Å; S312-R320 PolarHBondContact O-N 3.43Å; S312-R320 PolarHBondContact OG-O 2.76Å
313L97.6Very high95.3Very high0 Ų022.3 Ų22.30%010%0.099CC..EExtended strand (participates in β ladder)trans-137.9142.9180-178.157.5000111.1Q299 G300 C319 F342 R352 L354 C365 P366Q299-L313 PolarHBondContact N-O 2.77Å; G300-L313 PolarHBondContact N-O 3.07Å; G300-L313 PolarHBondContact O-N 3.1Å; L313-C319 HydrophobicContact CD1-CB 4.18Å; L313-F342 HydrophobicContact CD1-CB 4.49Å; L313-F342 HydrophobicContact CD1-CD1 3.83Å; L313-F342 HydrophobicContact CD1-CD2 4.23Å; L313-F342 HydrophobicContact CD1-CE1 4.07Å; L313-F342 HydrophobicContact CD1-CE2 4.45Å; L313-F342 HydrophobicContact CD1-CG 3.92Å; L313-F342 HydrophobicContact CD1-CZ 4.37Å; L313-R352 HydrophobicContact CB-CB 4.42Å; L313-R352 HydrophobicContact CD2-CB 3.86Å; L313-R352 HydrophobicContact CG-CB 3.93Å; L313-L354 HydrophobicContact CB-CD1 4.16Å; L313-L354 HydrophobicContact CB-CD2 4.3Å; L313-C365 HydrophobicContact CD2-CB 4.24Å; L313-P366 HydrophobicContact CD2-CG 3.98Å
314S97.1Very high95.1Very high0 Ų022 Ų220%010%0.103CC..EExtended strand (participates in β ladder)trans-150159.5-165.11700000112.8H294 H296 Y297 D316 R317 A318H294-S314 VanDerWaalsContact CE1-CB 3.46Å; H294-S314 WeakPolarHBondContact CE1-CB 3.47Å; H294-S314 WeakPolarHBondContact ND1-CB 3.48Å; H294-S314 PolarHBondContact ND1-OG 2.78Å; H296-S314 PolarHBondContact O-OG 3.2Å; Y297-S314 WeakPolarHBondContact O-CA 3.45Å; Y297-S314 WeakPolarHBondContact O-CB 3.25Å; Y297-S314 PolarHBondContact O-OG 3.45Å; S314-D316 VanDerWaalsContact CB-OD1 3.27Å; S314-D316 WeakPolarHBondContact CB-OD1 3.24Å; S314-D316 PolarHBondContact O-N 2.88Å; S314-D316 PolarHBondContact OG-N 2.89Å; S314-D316 VanDerWaalsContact OG-N 3.09Å; S314-D316 PolarHBondContact OG-OD1 3.03Å; S314-R317 PolarHBondContact O-N 2.66Å; S314-A318 PolarHBondContact N-O 2.94Å
315S94.7Very high94.8Very high4 Ų424 Ų243%0.02812%0.123CC..THydrogen-bonded Turntrans-60.8-9.5166.2-78.80000114.5H296 Y297 Q299 R317 D344 D345 R352H296-S315 WeakPolarHBondContact ND1-CB 3.34Å; Y297-S315 PolarHBondContact O-N 2.84Å; Q299-S315 PolarHBondContact OE1-OG 3.09Å; Q299-S315 VanDerWaalsContact OE1-OG 3.05Å; S315-R317 PolarHBondContact O-N 2.87Å; S315-D344 WeakPolarHBondContact O-CA 3.29Å; S315-D345 WeakPolarHBondContact CB-OD1 3.36Å; S315-D345 PolarHBondContact OG-OD1 3.41Å; S315-R352 PolarHBondContact OG-NH2 2.9Å
316D94.8Very high94.9Very high33 Ų3324.2 Ų24.218%0.17612%0.124CC..THydrogen-bonded Turntrans-72.417.5171.984.1-30.8000114.5H294 K295 H296 S314 A318 R320H294-D316 WeakPolarHBondContact CA-OD2 3.26Å; H294-D316 IonicContact CE1-OD1 3.29Å; H294-D316 IonicContact CG-OD1 3.34Å; H294-D316 IonicContact ND1-OD1 3.97Å; H294-D316 PolarHBondContact ND1-OD1 3.32Å; H294-D316 IonicContact ND1-OD2 2.88Å; K295-D316 HydrophobicContact CB-CB 4.01Å; K295-D316 PolarHBondContact N-OD2 3.48Å; H296-D316 HydrophobicContact CB-CB 3.92Å; S314-D316 VanDerWaalsContact CB-OD1 3.27Å; S314-D316 WeakPolarHBondContact CB-OD1 3.24Å; S314-D316 PolarHBondContact O-N 2.88Å; S314-D316 PolarHBondContact OG-N 2.89Å; S314-D316 VanDerWaalsContact OG-N 3.09Å; S314-D316 PolarHBondContact OG-OD1 3.03Å; D316-A318 PolarHBondContact O-N 3.24Å; D316-A318 WeakPolarHBondContact OD1-CB 3.37Å; D316-R320 IonicContact OD1-NH1 3.95Å; D316-R320 PolarHBondContact OD1-NH1 3Å; D316-R320 VanDerWaalsContact OD1-NH1 3.17Å; D316-R320 IonicContact OD2-CZ 3.64Å; D316-R320 VanDerWaalsContact OD2-CZ 3.29Å; D316-R320 IonicContact OD2-NH1 3.62Å; D316-R320 PolarHBondContact OD2-NH1 3.34Å; D316-R320 IonicContact OD2-NH2 3.17Å; D316-R320 PolarHBondContact OD2-NH2 2.87Å
317R94.3Very high95.1Very high47 Ų4730 Ų3018%0.17715%0.148CC..THydrogen-bonded Turntrans55.426.9-174.7-56.1-175.2176.5-109.27.4113.6S314 S315 S334 F342 D344S314-R317 PolarHBondContact O-N 2.66Å; S315-R317 PolarHBondContact O-N 2.87Å; R317-S334 VanDerWaalsContact O-CA 3.25Å; R317-S334 WeakPolarHBondContact O-CA 3.24Å; R317-S334 WeakPolarHBondContact O-CB 3.19Å; R317-F342 PolarHBondContact NH1-O 2.93Å; R317-D344 HydrophobicContact CG-CB 3.6Å; R317-D344 IonicContact CZ-OD2 3.02Å; R317-D344 IonicContact NE-OD2 3.29Å; R317-D344 PolarHBondContact NE-OD2 3.4Å; R317-D344 VanDerWaalsContact NE-OD2 3.17Å; R317-D344 IonicContact NH2-OD1 2.77Å; R317-D344 IonicContact NH2-OD2 2.61Å; R317-D344 PolarHBondContact NH2-OD2 2.87Å
318A96.1Very high95.3Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-133.5140.7-175.200000114.3H294 S314 D316 V333H294-A318 PolarHBondContact CE1-O 2.98Å; S314-A318 PolarHBondContact N-O 2.94Å; D316-A318 PolarHBondContact O-N 3.24Å; D316-A318 WeakPolarHBondContact OD1-CB 3.37Å; A318-V333 CarbonylContact C-O 3.49Å; A318-V333 VanDerWaalsContact CA-O 3.25Å; A318-V333 WeakPolarHBondContact CA-O 3.25Å
319C97.2Very high95.4Very high2 Ų232.6 Ų32.61%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-98135.3159.7-175.20000109.1S312 L313 V333 F342S312-C319 CarbonylContact O-C 3.59Å; S312-C319 WeakPolarHBondContact O-CA 3.29Å; S312-C319 PolarHBondContact O-SG 3.35Å; L313-C319 HydrophobicContact CD1-CB 4.18Å; C319-V333 HydrophobicContact CB-CB 4.41Å; C319-V333 PolarHBondContact N-O 3.05Å; C319-V333 PolarHBondContact O-N 3Å; C319-F342 HydrophobicContact CB-CE2 3.66Å; C319-F342 HydrophobicContact CB-CZ 3.78Å
320R97.6Very high95.4Very high13 Ų1333.8 Ų33.85%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-122.2138.1173.9-69178-176.166.5-6.5110.3D293 H294 A311 S312 D316 Y322 A331 H332D293-R320 VanDerWaalsContact O-CZ 3.25Å; D293-R320 PolarHBondContact O-NE 3.11Å; D293-R320 PolarHBondContact O-NH2 2.89Å; H294-R320 PolarHBondContact CE1-NH1 3.36Å; H294-R320 VanDerWaalsContact CG-NH1 3.33Å; H294-R320 PolarHBondContact ND1-NH1 2.93Å; A311-R320 WeakPolarHBondContact CA-O 3.42Å; S312-R320 PolarHBondContact N-O 2.93Å; S312-R320 PolarHBondContact O-N 3.43Å; S312-R320 PolarHBondContact OG-O 2.76Å; D316-R320 IonicContact OD1-NH1 3.95Å; D316-R320 PolarHBondContact OD1-NH1 3Å; D316-R320 VanDerWaalsContact OD1-NH1 3.17Å; D316-R320 IonicContact OD2-CZ 3.64Å; D316-R320 VanDerWaalsContact OD2-CZ 3.29Å; D316-R320 IonicContact OD2-NH1 3.62Å; D316-R320 PolarHBondContact OD2-NH1 3.34Å; D316-R320 IonicContact OD2-NH2 3.17Å; D316-R320 PolarHBondContact OD2-NH2 2.87Å; R320-Y322 HydrophobicContact CB-CD2 4.39Å; R320-Y322 HydrophobicContact CB-CE2 3.62Å; R320-Y322 WeakPolarHBondContact CD-OH 3.17Å; R320-A331 WeakPolarHBondContact CA-O 3.25Å; R320-H332 HydrophobicContact CG-CB 4.42Å
321I97.5Very high95.3Very high1 Ų134.1 Ų34.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-117.7124.9177.7-45.9-60.8000108.3Y309 V310 A311 C329 L330 A331 L363 F418Y309-I321 HydrophobicContact CG-CG2 4.34Å; V310-I321 WeakPolarHBondContact O-CA 3.44Å; A311-I321 HydrophobicContact CB-CD1 3.5Å; A311-I321 VanDerWaalsContact CB-CD1 3.5Å; I321-C329 CarbonylContact O-C 3.52Å; I321-L330 PolarHBondContact O-N 3.32Å; I321-A331 HydrophobicContact CB-CB 4.14Å; I321-A331 HydrophobicContact CG1-CB 4.07Å; I321-A331 PolarHBondContact N-O 2.68Å; I321-A331 PolarHBondContact O-N 3.26Å; I321-L363 HydrophobicContact CD1-CD2 3.39Å; I321-F418 HydrophobicContact CD1-CD1 4.42Å; I321-F418 HydrophobicContact CG1-CB 4.01Å; I321-F418 HydrophobicContact CG1-CD1 4.25Å; I321-F418 HydrophobicContact CG1-CG 4.02Å; I321-F418 HydrophobicContact CG2-CD2 4.15Å; I321-F418 HydrophobicContact CG2-CE2 4.22Å; I321-F418 HydrophobicContact CG2-CG 4.45Å
322Y97.2Very high95.2Very high1 Ų139.4 Ų39.40%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-115.9152.1-179.9-59.7-97.3000111.2I235 L291 D293 Y309 V310 R320 A324 N328 C329I235-Y322 HydrophobicContact CD1-CE2 4.03Å; L291-Y322 HydrophobicContact CB-CE1 4.29Å; L291-Y322 HydrophobicContact CD1-CD1 3.77Å; L291-Y322 HydrophobicContact CD1-CD2 3.84Å; L291-Y322 HydrophobicContact CD1-CE1 3.81Å; L291-Y322 HydrophobicContact CD1-CE2 3.89Å; L291-Y322 HydrophobicContact CD1-CG 3.78Å; L291-Y322 HydrophobicContact CD2-CD1 4.38Å; L291-Y322 HydrophobicContact CD2-CE1 4.33Å; L291-Y322 HydrophobicContact CG-CE1 4.37Å; D293-Y322 VanDerWaalsContact OD2-CE1 3.24Å; D293-Y322 WeakPolarHBondContact OD2-CE1 3.48Å; D293-Y322 PolarHBondContact OD2-OH 2.94Å; Y309-Y322 CarbonylContact C-O 3.56Å; Y309-Y322 VanDerWaalsContact CA-O 3.22Å; Y309-Y322 WeakPolarHBondContact CA-O 3.42Å; V310-Y322 HydrophobicContact CG2-CD2 4.42Å; V310-Y322 PolarHBondContact N-O 3.03Å; V310-Y322 PolarHBondContact O-N 2.82Å; R320-Y322 HydrophobicContact CB-CD2 4.39Å; R320-Y322 HydrophobicContact CB-CE2 3.62Å; R320-Y322 WeakPolarHBondContact CD-OH 3.17Å; Y322-A324 PolarHBondContact O-N 3.26Å; Y322-N328 CarbonylContact C-O 3.41Å; Y322-N328 VanDerWaalsContact CA-O 3.28Å; Y322-N328 WeakPolarHBondContact CA-O 3.49Å; Y322-C329 HydrophobicContact CD1-CB 3.78Å; Y322-C329 HydrophobicContact CE1-CB 3.64Å
323R95.4Very high95.1Very high146 Ų14639.6 Ų39.655%0.55121%0.205SC*.EExtended strand (participates in β ladder)trans-71.1120.8163.4-179.1175.1-177155.52.5109T326 N328 L330R323-T326 WeakPolarHBondContact CB-OG1 3.14Å; R323-T326 HydrophobicContact CG-CG2 4.27Å; R323-T326 PolarHBondContact O-N 2.86Å; R323-T326 PolarHBondContact O-OG1 2.88Å; R323-N328 PolarHBondContact N-O 3.14Å; R323-L330 HydrophobicContact CB-CD1 4.06Å; R323-L330 HydrophobicContact CB-CD2 4.45Å; R323-L330 HydrophobicContact CB-CG 4.31Å
324A91.6Very high94.9Very high22 Ų2241.2 Ų41.218%0.18222%0.216CC..THydrogen-bonded Turntrans-52.8139.9-176.100000112W303 G307 F308 V310 Y322 T326W303-A324 HydrophobicContact CZ2-CB 4.08Å; G307-A324 WeakPolarHBondContact O-CB 3.41Å; F308-A324 PolarHBondContact O-N 2.86Å; V310-A324 HydrophobicContact CG1-CB 4.29Å; Y322-A324 PolarHBondContact O-N 3.26Å; A324-T326 PolarHBondContact O-N 3.18Å
325G88.8Confident94.6Very high41 Ų4147.8 Ų47.842%0.42325%0.245SC..THydrogen-bonded Turntrans71.25.1-175.600000115.6
326T92.9Very high94.1Very high47 Ų4749.2 Ų49.229%0.28826%0.257SS..SBendtrans-131.9163.2-179.780.30000112.3R323 A324 N328R323-T326 WeakPolarHBondContact CB-OG1 3.14Å; R323-T326 HydrophobicContact CG-CG2 4.27Å; R323-T326 PolarHBondContact O-N 2.86Å; R323-T326 PolarHBondContact O-OG1 2.88Å; A324-T326 PolarHBondContact O-N 3.18Å; T326-N328 PolarHBondContact O-N 2.95Å; T326-N328 WeakPolarHBondContact OG1-CB 3.32Å; T326-N328 PolarHBondContact OG1-N 3.23Å
327K93.6Very high93.5Very high139 Ų13950.9 Ų50.960%0.60428%0.282SS*.  trans-82.97.6170.9-56.9-159.3175.9-166.20114L289 I290 L291 C329L289-K327 HydrophobicContact CD1-CD 4.28Å; L289-K327 HydrophobicContact CD1-CG 3.74Å; L289-K327 HydrophobicContact CD2-CG 4.47Å; L289-K327 HydrophobicContact CG-CG 4.4Å; I290-K327 VanDerWaalsContact O-CE 3.29Å; I290-K327 WeakPolarHBondContact O-CE 3.45Å; I290-K327 PolarHBondContact O-NZ 3.24Å; L291-K327 HydrophobicContact CD2-CB 4.11Å; L291-K327 HydrophobicContact CD2-CG 3.9Å; K327-C329 PolarHBondContact O-N 2.86Å; K327-C329 VanDerWaalsContact O-N 3.17Å
328N94.3Very high92.9Very high87 Ų8758.7 Ų58.747%0.46532%0.317SS..  trans-80.4102-173.8-170.70.4000110.7Y322 R323 T326 L330Y322-N328 CarbonylContact C-O 3.41Å; Y322-N328 VanDerWaalsContact CA-O 3.28Å; Y322-N328 WeakPolarHBondContact CA-O 3.49Å; R323-N328 PolarHBondContact N-O 3.14Å; T326-N328 PolarHBondContact O-N 2.95Å; T326-N328 WeakPolarHBondContact OG1-CB 3.32Å; T326-N328 PolarHBondContact OG1-N 3.23Å; N328-L330 PolarHBondContact O-N 2.62Å
329C95.1Very high92.3Very high46 Ų4660.6 Ų60.631%0.31133%0.326SS..EExtended strand (participates in β ladder)trans-75.4105.5171.6-171.80000109.3I321 Y322 K327I321-C329 CarbonylContact O-C 3.52Å; Y322-C329 HydrophobicContact CD1-CB 3.78Å; Y322-C329 HydrophobicContact CE1-CB 3.64Å; K327-C329 PolarHBondContact O-N 2.86Å; K327-C329 VanDerWaalsContact O-N 3.17Å
330L94.7Very high92Very high80 Ų8066.6 Ų66.642%0.41935%0.348SS..EExtended strand (participates in β ladder)trans-81-31.7-176.5-58.7179.4000112.6Y309 I321 R323 N328Y309-L330 HydrophobicContact CD1-CD1 3.58Å; Y309-L330 HydrophobicContact CE1-CD1 3.37Å; I321-L330 PolarHBondContact O-N 3.32Å; R323-L330 HydrophobicContact CB-CD1 4.06Å; R323-L330 HydrophobicContact CB-CD2 4.45Å; R323-L330 HydrophobicContact CB-CG 4.31Å; N328-L330 PolarHBondContact O-N 2.62Å
331A95Very high91.8Very high8 Ų866.1 Ų66.17%0.06635%0.347CS..EExtended strand (participates in β ladder)trans-144.8135.7176.900000110.9R320 I321 F418R320-A331 WeakPolarHBondContact CA-O 3.25Å; I321-A331 HydrophobicContact CB-CB 4.14Å; I321-A331 HydrophobicContact CG1-CB 4.07Å; I321-A331 PolarHBondContact N-O 2.68Å; I321-A331 PolarHBondContact O-N 3.26Å; A331-F418 HydrophobicContact CB-CB 3.85Å
332H95.5Very high91.6Very high110 Ų11066.1 Ų66.151%0.50935%0.346SS..EExtended strand (participates in β ladder)trans-124114.3171165.2-145.6000107.8R320R320-H332 HydrophobicContact CG-CB 4.42Å
333V95.5Very high91.3Very high4 Ų466.7 Ų66.72%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-119.2115.6-170.7-174.30000109.4A318 C319 L341 F342 F413 F418A318-V333 CarbonylContact C-O 3.49Å; A318-V333 VanDerWaalsContact CA-O 3.25Å; A318-V333 WeakPolarHBondContact CA-O 3.25Å; C319-V333 HydrophobicContact CB-CB 4.41Å; C319-V333 PolarHBondContact N-O 3.05Å; C319-V333 PolarHBondContact O-N 3Å; V333-L341 HydrophobicContact CG1-CD1 3.58Å; V333-F342 HydrophobicContact CB-CE2 4.47Å; V333-F342 HydrophobicContact CG1-CE2 4.16Å; V333-F342 WeakPolarHBondContact O-CE2 3.49Å; V333-F413 HydrophobicContact CG1-CE1 3.77Å; V333-F413 HydrophobicContact CG1-CZ 3.85Å; V333-F413 HydrophobicContact CG2-CE1 4.31Å; V333-F418 WeakPolarHBondContact CG2-O 3.38Å
334S93.8Very high91.1Very high34 Ų3461.8 Ų61.824%0.23833%0.334CS..  trans-139-20.5178.245.10000114.5R317 L341R317-S334 VanDerWaalsContact O-CA 3.25Å; R317-S334 WeakPolarHBondContact O-CA 3.24Å; R317-S334 WeakPolarHBondContact O-CB 3.19Å; S334-L341 PolarHBondContact O-N 3.32Å
335K91.2Very high90.9Very high139 Ų13963.6 Ų63.660%0.60434%0.341SS*.EExtended strand (participates in β ladder)trans-147.4151.7-178.760.3175.1-175.1171.80112.4Q339K335-Q339 CarbonylContact C-O 3.11Å; K335-Q339 WeakPolarHBondContact CA-O 3.16Å; K335-Q339 VanDerWaalsContact CB-O 3.25Å; K335-Q339 WeakPolarHBondContact CB-O 3.42Å
336A84.9Confident90.7Very high34 Ų3466.3 Ų66.328%0.28135%0.353SS..EExtended strand (participates in β ladder)trans-115.6102.6167.300000108.4K338 Q339 L341A336-K338 PolarHBondContact O-N 2.59Å; A336-Q339 PolarHBondContact N-O 2.97Å; A336-Q339 PolarHBondContact O-N 3.14Å; A336-L341 HydrophobicContact CB-CD1 4.18Å; A336-L341 HydrophobicContact CB-CD2 3.9Å; A336-L341 HydrophobicContact CB-CG 4.1Å
337G82.4Confident90.1Very high68 Ų6865.8 Ų65.870%0.70135%0.346SS*.THydrogen-bonded Turntrans64.5-107.7-171.700000111.7
338K81.2Confident89.2Confident211 Ų21168.7 Ų68.792%0.91736%0.358SS*.THydrogen-bonded Turntrans-92.5-36.3175.9-66.9-178.3179.5177.50113.1A336A336-K338 PolarHBondContact O-N 2.59Å
339Q83.6Confident88.7Confident39 Ų3965.3 Ų65.318%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-66.8137.3-174-176.8-166.7-19.300111.7K335 A336 N369 E371K335-Q339 CarbonylContact C-O 3.11Å; K335-Q339 WeakPolarHBondContact CA-O 3.16Å; K335-Q339 VanDerWaalsContact CB-O 3.25Å; K335-Q339 WeakPolarHBondContact CB-O 3.42Å; A336-Q339 PolarHBondContact N-O 2.97Å; A336-Q339 PolarHBondContact O-N 3.14Å; Q339-N369 PolarHBondContact NE2-O 3.37Å; Q339-E371 HydrophobicContact CG-CB 4.4Å; Q339-E371 HydrophobicContact CG-CG 4.46Å
340R90.5Very high88.3Confident129 Ų12968.6 Ų68.649%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-84.3124.9173-66.9168.7171.1173.9-3.9109.6N369 E371R340-N369 WeakPolarHBondContact O-CB 3.44Å; R340-N369 PolarHBondContact O-ND2 2.75Å; R340-N369 VanDerWaalsContact O-ND2 3.16Å; R340-E371 PolarHBondContact N-OE2 2.85Å
341L92.3Very high88.3Confident3 Ų364.9 Ų64.92%0.01633%0.331CS..  trans-78.6-26.3-173-75.2171.2000113.8V333 S334 A336 G368 N369 H411 P421V333-L341 HydrophobicContact CG1-CD1 3.58Å; S334-L341 PolarHBondContact O-N 3.32Å; A336-L341 HydrophobicContact CB-CD1 4.18Å; A336-L341 HydrophobicContact CB-CD2 3.9Å; A336-L341 HydrophobicContact CB-CG 4.1Å; L341-G368 CarbonylContact O-C 3.53Å; L341-G368 VanDerWaalsContact O-CA 3.32Å; L341-G368 WeakPolarHBondContact O-CA 3.46Å; L341-N369 PolarHBondContact O-N 3.35Å; L341-H411 PolarHBondContact O-CD2 3.4Å; L341-H411 VanDerWaalsContact O-CD2 3.28Å; L341-H411 PolarHBondContact O-NE2 2.89Å; L341-P421 HydrophobicContact CD1-CG 4.45Å; L341-P421 HydrophobicContact CD2-CG 4Å
342F94.2Very high88.4Confident0 Ų064.5 Ų64.50%033%0.328CS..BIsolated β-bridgetrans-124.7147.9-175.9-58.2-70.2000111.7L313 R317 C319 V333 C365 S367 H411 F413L313-F342 HydrophobicContact CD1-CB 4.49Å; L313-F342 HydrophobicContact CD1-CD1 3.83Å; L313-F342 HydrophobicContact CD1-CD2 4.23Å; L313-F342 HydrophobicContact CD1-CE1 4.07Å; L313-F342 HydrophobicContact CD1-CE2 4.45Å; L313-F342 HydrophobicContact CD1-CG 3.92Å; L313-F342 HydrophobicContact CD1-CZ 4.37Å; R317-F342 PolarHBondContact NH1-O 2.93Å; C319-F342 HydrophobicContact CB-CE2 3.66Å; C319-F342 HydrophobicContact CB-CZ 3.78Å; V333-F342 HydrophobicContact CB-CE2 4.47Å; V333-F342 HydrophobicContact CG1-CE2 4.16Å; V333-F342 WeakPolarHBondContact O-CE2 3.49Å; F342-C365 HydrophobicContact CE1-CB 3.69Å; F342-C365 HydrophobicContact CZ-CB 4.06Å; F342-S367 WeakPolarHBondContact CA-O 3.48Å; F342-H411 AromaticContact CE1-CD2 3.94Å; F342-F413 HydrophobicContact CZ-CE2 4.24Å; F342-F413 HydrophobicContact CZ-CZ 4.14Å
343Q91.4Very high88.5Confident14 Ų1459.2 Ų59.27%0.06530%0.304CS..  trans-61.4154.8170.1-55-57.2-21.600110.3W347 R352 S367 G368 N369 H408Q343-W347 HydrophobicContact CB-CB 4.26Å; Q343-W347 HydrophobicContact CB-CE3 4.34Å; Q343-R352 PolarHBondContact O-NH1 3.34Å; Q343-S367 WeakPolarHBondContact CG-O 3.47Å; Q343-S367 PolarHBondContact N-O 2.76Å; Q343-G368 PolarHBondContact NE2-O 2.77Å; Q343-N369 VanDerWaalsContact NE2-CB 3.26Å; Q343-N369 VanDerWaalsContact NE2-CG 3.35Å; Q343-N369 PolarHBondContact NE2-OD1 2.87Å; Q343-H408 PolarHBondContact NE2-ND1 3.42Å
344D90.4Very high88.6Confident42 Ų4259.2 Ų59.223%0.22530%0.303CS..  trans-100.1-162.7168.359.87.9000111.9S315 R317 S346 W347 R352S315-D344 WeakPolarHBondContact O-CA 3.29Å; R317-D344 HydrophobicContact CG-CB 3.6Å; R317-D344 IonicContact CZ-OD2 3.02Å; R317-D344 IonicContact NE-OD2 3.29Å; R317-D344 PolarHBondContact NE-OD2 3.4Å; R317-D344 VanDerWaalsContact NE-OD2 3.17Å; R317-D344 IonicContact NH2-OD1 2.77Å; R317-D344 IonicContact NH2-OD2 2.61Å; R317-D344 PolarHBondContact NH2-OD2 2.87Å; D344-S346 PolarHBondContact O-N 3.2Å; D344-S346 VanDerWaalsContact OD1-CB 3.28Å; D344-S346 WeakPolarHBondContact OD1-CB 3.42Å; D344-S346 PolarHBondContact OD1-N 3.25Å; D344-S346 VanDerWaalsContact OD1-N 3.11Å; D344-S346 PolarHBondContact OD1-OG 3.27Å; D344-W347 PolarHBondContact O-N 3.32Å; D344-R352 PolarHBondContact O-NH2 2.97Å
345D87Confident88.7Confident61 Ų6158.8 Ų58.833%0.32630%0.299SS..THydrogen-bonded Turntrans-68.8-9.7178.3-138.963.4000114.3H296 Y297 S315 W347H296-D345 IonicContact CE1-OD1 2.78Å; H296-D345 PolarHBondContact CE1-OD1 2.86Å; H296-D345 IonicContact CE1-OD2 3.18Å; H296-D345 PolarHBondContact CE1-OD2 3.41Å; H296-D345 VanDerWaalsContact CE1-OD2 3.29Å; H296-D345 IonicContact ND1-OD1 3.4Å; H296-D345 PolarHBondContact ND1-OD1 3.13Å; H296-D345 IonicContact ND1-OD2 3.94Å; Y297-D345 VanDerWaalsContact CD2-OD1 3.31Å; Y297-D345 WeakPolarHBondContact CD2-OD1 3.24Å; S315-D345 WeakPolarHBondContact CB-OD1 3.36Å; S315-D345 PolarHBondContact OG-OD1 3.41Å; D345-W347 PolarHBondContact O-N 3.28Å
346S85.2Confident89Confident97 Ų9752.7 Ų52.768%0.67827%0.273SS*.THydrogen-bonded Turntrans-64.5-24.6171.567.40000112D344D344-S346 PolarHBondContact O-N 3.2Å; D344-S346 VanDerWaalsContact OD1-CB 3.28Å; D344-S346 WeakPolarHBondContact OD1-CB 3.42Å; D344-S346 PolarHBondContact OD1-N 3.25Å; D344-S346 VanDerWaalsContact OD1-N 3.11Å; D344-S346 PolarHBondContact OD1-OG 3.27Å
347W80.1Confident89.5Confident36 Ų3651 Ų5114%0.13626%0.259CS..SBendtrans-86.6107.8168.6173.556000110.9Q343 D344 D345 S349 R352 S367 P431 V432 V433Q343-W347 HydrophobicContact CB-CB 4.26Å; Q343-W347 HydrophobicContact CB-CE3 4.34Å; D344-W347 PolarHBondContact O-N 3.32Å; D345-W347 PolarHBondContact O-N 3.28Å; W347-S349 VanDerWaalsContact C-N 3.28Å; W347-S349 VanDerWaalsContact CE2-CB 3.42Å; W347-S349 PolarHBondContact O-N 3.04Å; W347-R352 HydrophobicContact CZ3-CG 4.04Å; W347-S367 WeakPolarHBondContact CH2-OG 3.45Å; W347-S367 WeakPolarHBondContact CZ3-OG 3.42Å; W347-P431 HydrophobicContact CD2-CB 4.38Å; W347-P431 HydrophobicContact CH2-CB 4.48Å; W347-P431 HydrophobicContact CZ2-CB 3.6Å; W347-P431 HydrophobicContact CZ2-CG 3.81Å; W347-V432 WeakPolarHBondContact CH2-O 3.36Å; W347-V433 HydrophobicContact CH2-CG2 4.39Å; W347-V433 HydrophobicContact CZ2-CG2 4.06Å
348K75.6Confident89.9Confident200 Ų20049.8 Ų49.887%0.8724%0.239SC*.  trans-77.466.2-176.6-61-174.9178.6-175.30113.3
349S83.5Confident90.3Very high16 Ų1639.8 Ų39.811%0.11220%0.195CC..  trans-115.7140.4162.3173.60000109.8Q299 W347 F351Q299-S349 PolarHBondContact NE2-O 3.13Å; W347-S349 VanDerWaalsContact C-N 3.28Å; W347-S349 VanDerWaalsContact CE2-CB 3.42Å; W347-S349 PolarHBondContact O-N 3.04Å; S349-F351 VanDerWaalsContact C-N 3.35Å; S349-F351 PolarHBondContact OG-N 3.1Å; S349-F351 VanDerWaalsContact OG-N 3.15Å; S349-F351 PolarHBondContact OG-O 3.3Å
350F87.3Confident90.6Very high115 Ų11537.9 Ų37.950%0.50419%0.187SC..SBendtrans-78.4-20174.6-57.7-71000112.8Y215 Q299Y215-F350 HydrophobicContact CD1-CB 4.34Å; Y215-F350 HydrophobicContact CE1-CB 4.07Å; Y215-F350 HydrophobicContact CE1-CD1 4.02Å; Y215-F350 HydrophobicContact CE1-CG 4.43Å; Y215-F350 AromaticContact CZ-CD1 3.97Å; Q299-F350 WeakPolarHBondContact CB-O 3.47Å; Q299-F350 WeakPolarHBondContact CG-O 3.46Å; Q299-F350 VanDerWaalsContact NE2-C 3.3Å; Q299-F350 PolarHBondContact NE2-O 3.19Å
351F94.6Very high90.7Very high2 Ų233.6 Ų33.61%0.00917%0.173CC..  trans-122.4140.1-168.6-42.8-57.4000112.7Y17 N142 Y215 S349 R353 V433 N501Y17-F351 HydrophobicContact CD1-CE2 4.05Å; Y17-F351 AromaticContact CD1-CZ 3.91Å; Y17-F351 HydrophobicContact CD1-CZ 3.91Å; Y17-F351 HydrophobicContact CG-CE2 4.44Å; Y17-F351 AromaticContact CG-CZ 3.95Å; Y17-F351 HydrophobicContact CG-CZ 3.95Å; N142-F351 HydrophobicContact CB-CE1 4.21Å; Y215-F351 HydrophobicContact CD1-CE1 4.41Å; S349-F351 VanDerWaalsContact C-N 3.35Å; S349-F351 PolarHBondContact OG-N 3.1Å; S349-F351 VanDerWaalsContact OG-N 3.15Å; S349-F351 PolarHBondContact OG-O 3.3Å; F351-R353 HydrophobicContact CB-CG 4.36Å; F351-R353 VanDerWaalsContact CD1-NH2 3.31Å; F351-V433 HydrophobicContact CB-CG1 3.88Å; F351-V433 HydrophobicContact CD2-CG1 4.4Å; F351-N501 HydrophobicContact CD2-CB 4.12Å; F351-N501 HydrophobicContact CE2-CB 4Å
352R95.8Very high90.8Very high0 Ų033.7 Ų33.70%017%0.173CC..  trans-139.251.8177.7-57.4-165.8-171-131.10.6110.8Q299 G300 L313 S315 Q343 D344 W347 L354 P366 S367 V433Q299-R352 HydrophobicContact CB-CB 3.91Å; Q299-R352 HydrophobicContact CB-CG 3.68Å; Q299-R352 PolarHBondContact O-N 3.02Å; G300-R352 WeakPolarHBondContact CA-O 3.44Å; L313-R352 HydrophobicContact CB-CB 4.42Å; L313-R352 HydrophobicContact CD2-CB 3.86Å; L313-R352 HydrophobicContact CG-CB 3.93Å; S315-R352 PolarHBondContact OG-NH2 2.9Å; Q343-R352 PolarHBondContact O-NH1 3.34Å; D344-R352 PolarHBondContact O-NH2 2.97Å; W347-R352 HydrophobicContact CZ3-CG 4.04Å; R352-L354 PolarHBondContact O-N 3.44Å; R352-P366 HydrophobicContact CB-CG 4.41Å; R352-P366 WeakPolarHBondContact O-CG 3.19Å; R352-S367 WeakPolarHBondContact CG-OG 3.28Å; R352-V433 CarbonylContact C-O 3.55Å; R352-V433 WeakPolarHBondContact CA-O 3.48Å
353R97.2Very high91Very high0 Ų033.7 Ų33.70%017%0.174CC..BIsolated β-bridgetrans-72.386.5-165.8-70.4171172.3160.715.3112.1Y17 N142 R145 Y215 D216 F351 V433 A434 V435 D502Y17-R353 PolarHBondContact O-NH1 3.43Å; N142-R353 PolarHBondContact O-NH2 3.15Å; R145-R353 VanDerWaalsContact NH2-CD 3.33Å; R145-R353 VanDerWaalsContact NH2-NE 3.15Å; Y215-R353 PolarHBondContact O-NH2 2.99Å; D216-R353 IonicContact OD1-NE 2.67Å; D216-R353 PolarHBondContact OD1-NE 2.86Å; F351-R353 HydrophobicContact CB-CG 4.36Å; F351-R353 VanDerWaalsContact CD1-NH2 3.31Å; R353-V433 PolarHBondContact N-O 2.89Å; R353-A434 HydrophobicContact CB-CB 3.77Å; R353-V435 PolarHBondContact O-N 2.99Å; R353-D502 WeakPolarHBondContact CD-OD2 3.46Å; R353-D502 IonicContact CZ-OD2 3.3Å; R353-D502 IonicContact NE-OD2 3.17Å; R353-D502 IonicContact NH1-OD2 3.2Å; R353-D502 PolarHBondContact NH1-OD2 3.02Å
354L97.9Very high91.3Very high3 Ų333 Ų332%0.01617%0.171CC..  trans-70.4158.5171.577.8176.8000112.2G300 A302 A311 L313 R352 L363 V364G300-L354 WeakPolarHBondContact O-CD2 3.43Å; A302-L354 HydrophobicContact CB-CD2 4.14Å; A302-L354 HydrophobicContact CB-CG 3.94Å; A311-L354 HydrophobicContact CB-CD1 3.75Å; L313-L354 HydrophobicContact CB-CD1 4.16Å; L313-L354 HydrophobicContact CB-CD2 4.3Å; R352-L354 PolarHBondContact O-N 3.44Å; L354-L363 HydrophobicContact CD1-CD1 4.2Å; L354-L363 HydrophobicContact CG-CD1 4.4Å; L354-V364 WeakPolarHBondContact CA-O 3.29Å
355T97.6Very high91.6Very high25 Ų2531 Ų3115%0.15316%0.16CC..EExtended strand (participates in β ladder)trans-153.2145.7-178.7-165.90000112.5V364 V435 F437T355-V364 PolarHBondContact N-O 2.81Å; T355-V364 VanDerWaalsContact N-O 3.1Å; T355-V364 PolarHBondContact O-N 3.29Å; T355-V435 HydrophobicContact CG2-CB 3.87Å; T355-V435 HydrophobicContact CG2-CG1 3.75Å; T355-V435 WeakPolarHBondContact CG2-O 3.33Å; T355-F437 HydrophobicContact CG2-CD2 3.58Å; T355-F437 HydrophobicContact CG2-CE2 3.81Å
356F96.5Very high92Very high11 Ų1128.1 Ų28.15%0.04814%0.144CC..EExtended strand (participates in β ladder)trans-81.9151167.9-72.6-88.3000110.3A302 W303 D304 P305 A311 L362 L363 F418 F437A302-F356 HydrophobicContact CB-CD2 4Å; A302-F356 HydrophobicContact CB-CE2 4.16Å; W303-F356 WeakPolarHBondContact O-CD2 3.42Å; D304-F356 HydrophobicContact CB-CD2 4.47Å; D304-F356 HydrophobicContact CB-CE1 4.47Å; D304-F356 HydrophobicContact CB-CE2 4.19Å; D304-F356 HydrophobicContact CB-CZ 4.19Å; P305-F356 HydrophobicContact CG-CB 4.49Å; A311-F356 HydrophobicContact CB-CE2 3.79Å; A311-F356 HydrophobicContact CB-CZ 3.92Å; F356-L362 CarbonylContact C-O 3.49Å; F356-L362 VanDerWaalsContact CA-O 3.28Å; F356-L362 WeakPolarHBondContact CA-O 3.49Å; F356-L363 HydrophobicContact CD1-CB 3.91Å; F356-L363 HydrophobicContact CD1-CD1 4.1Å; F356-L363 HydrophobicContact CD2-CD1 4Å; F356-L363 HydrophobicContact CE1-CB 3.88Å; F356-L363 HydrophobicContact CE1-CD1 4.09Å; F356-L363 HydrophobicContact CE1-CD2 4.28Å; F356-L363 HydrophobicContact CE1-CG 4.31Å; F356-L363 HydrophobicContact CE2-CD1 3.99Å; F356-L363 HydrophobicContact CG-CD1 4.05Å; F356-L363 HydrophobicContact CZ-CD1 4.03Å; F356-L363 HydrophobicContact CZ-CD2 4.21Å; F356-F418 AromaticContact CE1-CE1 3.99Å; F356-F418 HydrophobicContact CE1-CE1 3.99Å; F356-F418 HydrophobicContact CE1-CZ 4.07Å; F356-F437 VanDerWaalsContact O-CD2 3.23Å; F356-F437 WeakPolarHBondContact O-CD2 3.48Å
357S94.9Very high92.4Very high0 Ų023.6 Ų23.60%011%0.112CC..  trans-63153.3163.952.30000110.1P305 D359 G360 L361 L362 F437P305-S357 WeakPolarHBondContact CG-O 3.47Å; S357-D359 VanDerWaalsContact CB-OD1 3.29Å; S357-D359 WeakPolarHBondContact CB-OD1 3.32Å; S357-D359 PolarHBondContact O-N 3.13Å; S357-D359 VanDerWaalsContact O-N 3.08Å; S357-D359 PolarHBondContact OG-OD1 3.37Å; S357-G360 WeakPolarHBondContact O-CA 3.46Å; S357-G360 PolarHBondContact O-N 3.14Å; S357-L361 PolarHBondContact OG-N 2.98Å; S357-L362 PolarHBondContact N-O 3.29Å; S357-L362 WeakPolarHBondContact OG-CB 3.43Å; S357-L362 PolarHBondContact OG-N 2.64Å; S357-L362 PolarHBondContact OG-O 3.14Å; S357-F437 VanDerWaalsContact CA-CE2 3.48Å
358P91.6Very high93Very high42 Ų4221.9 Ų21.927%0.27311%0.106SC..THydrogen-bonded Turntrans-65.7-15.1-174.1-22.134000115F437 W468P358-F437 HydrophobicContact CG-CB 4.03Å; P358-W468 HydrophobicContact CB-CH2 3.59Å; P358-W468 HydrophobicContact CB-CZ2 3.87Å; P358-W468 HydrophobicContact CB-CZ3 3.95Å; P358-W468 HydrophobicContact CG-CD2 4.24Å; P358-W468 HydrophobicContact CG-CE3 3.88Å; P358-W468 HydrophobicContact CG-CH2 3.85Å; P358-W468 HydrophobicContact CG-CZ2 4.19Å; P358-W468 HydrophobicContact CG-CZ3 3.66Å
359D88.2Confident93.7Very high0 Ų012.4 Ų12.40%07%0.065CC..THydrogen-bonded Turntrans-86.9-7.8169.458.214.3000113.9L44 L47 S357 L361 Y466 W468 F539L44-D359 HydrophobicContact CD2-CB 4.41Å; L44-D359 WeakPolarHBondContact CD2-O 3.41Å; L47-D359 HydrophobicContact CD1-CB 4.42Å; S357-D359 VanDerWaalsContact CB-OD1 3.29Å; S357-D359 WeakPolarHBondContact CB-OD1 3.32Å; S357-D359 PolarHBondContact O-N 3.13Å; S357-D359 VanDerWaalsContact O-N 3.08Å; S357-D359 PolarHBondContact OG-OD1 3.37Å; D359-L361 HydrophobicContact CB-CG 4.34Å; D359-L361 PolarHBondContact O-N 2.77Å; D359-L361 WeakPolarHBondContact OD1-CB 3.37Å; D359-L361 PolarHBondContact OD1-N 2.78Å; D359-Y466 PolarHBondContact OD2-OH 3.19Å; D359-W468 HydrophobicContact CB-CZ2 4.21Å; D359-W468 VanDerWaalsContact CG-NE1 3.28Å; D359-W468 PolarHBondContact OD2-NE1 3.06Å; D359-F539 HydrophobicContact CB-CD1 4.3Å
360G91.7Very high93.7Very high0 Ų012.6 Ų12.60%06%0.064CC..SBendtrans70.19.6-175.500000115.2S357 R415S357-G360 WeakPolarHBondContact O-CA 3.46Å; S357-G360 PolarHBondContact O-N 3.14Å; G360-R415 WeakPolarHBondContact O-CD 3.12Å; G360-R415 PolarHBondContact O-NH1 3.29Å
361L92.4Very high93Very high38 Ų3810.2 Ų10.220%0.1996%0.055CC..SBendtrans-78.1-29.4179.9-72179.9000113.6L44 S357 D359 R415 L464L44-L361 HydrophobicContact CD1-CD2 3.65Å; L44-L361 HydrophobicContact CD1-CG 4.43Å; L44-L361 HydrophobicContact CD2-CD2 4.18Å; L44-L361 HydrophobicContact CD2-CG 4.17Å; S357-L361 PolarHBondContact OG-N 2.98Å; D359-L361 HydrophobicContact CB-CG 4.34Å; D359-L361 PolarHBondContact O-N 2.77Å; D359-L361 WeakPolarHBondContact OD1-CB 3.37Å; D359-L361 PolarHBondContact OD1-N 2.78Å; L361-R415 WeakPolarHBondContact O-CB 3.19Å; L361-R415 PolarHBondContact O-N 3.45Å; L361-L464 HydrophobicContact CD1-CD2 3.78Å
362L94.6Very high91.3Very high5 Ų516.3 Ų16.33%0.0269%0.088CC..EExtended strand (participates in β ladder)trans-120.3149.4-179.3-53.1177.4000110.7F356 S357 I412 F413 V414 F462 T483F356-L362 CarbonylContact C-O 3.49Å; F356-L362 VanDerWaalsContact CA-O 3.28Å; F356-L362 WeakPolarHBondContact CA-O 3.49Å; S357-L362 PolarHBondContact N-O 3.29Å; S357-L362 WeakPolarHBondContact OG-CB 3.43Å; S357-L362 PolarHBondContact OG-N 2.64Å; S357-L362 PolarHBondContact OG-O 3.14Å; L362-I412 HydrophobicContact CB-CG2 4.27Å; L362-I412 HydrophobicContact CD1-CG2 4.42Å; L362-I412 HydrophobicContact CD2-CG2 4.18Å; L362-F413 WeakPolarHBondContact CA-O 3.44Å; L362-V414 HydrophobicContact CD2-CG1 3.97Å; L362-F462 HydrophobicContact CD1-CD2 4.23Å; L362-F462 HydrophobicContact CD1-CE2 4Å; L362-F462 HydrophobicContact CD1-CZ 4.16Å; L362-F462 HydrophobicContact CD2-CD1 3.94Å; L362-F462 HydrophobicContact CD2-CE1 3.51Å; L362-F462 HydrophobicContact CD2-CE2 4.41Å; L362-F462 HydrophobicContact CD2-CZ 3.78Å; L362-T483 HydrophobicContact CD1-CG2 3.83Å
363L97.1Very high89.2Confident1 Ų117.8 Ų17.81%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-123.7126.8165.2172.264.4000107.9A311 I321 L354 F356 I412 F413 F418A311-L363 HydrophobicContact CB-CD1 4.18Å; A311-L363 HydrophobicContact CB-CD2 3.89Å; I321-L363 HydrophobicContact CD1-CD2 3.39Å; L354-L363 HydrophobicContact CD1-CD1 4.2Å; L354-L363 HydrophobicContact CG-CD1 4.4Å; F356-L363 HydrophobicContact CD1-CB 3.91Å; F356-L363 HydrophobicContact CD1-CD1 4.1Å; F356-L363 HydrophobicContact CD2-CD1 4Å; F356-L363 HydrophobicContact CE1-CB 3.88Å; F356-L363 HydrophobicContact CE1-CD1 4.09Å; F356-L363 HydrophobicContact CE1-CD2 4.28Å; F356-L363 HydrophobicContact CE1-CG 4.31Å; F356-L363 HydrophobicContact CE2-CD1 3.99Å; F356-L363 HydrophobicContact CG-CD1 4.05Å; F356-L363 HydrophobicContact CZ-CD1 4.03Å; F356-L363 HydrophobicContact CZ-CD2 4.21Å; L363-I412 CarbonylContact O-C 3.56Å; L363-I412 WeakPolarHBondContact O-CA 3.22Å; L363-F413 HydrophobicContact CB-CB 4.35Å; L363-F413 PolarHBondContact N-O 3.01Å; L363-F413 PolarHBondContact O-N 2.91Å; L363-F418 HydrophobicContact CB-CE1 4.08Å; L363-F418 HydrophobicContact CD2-CD1 4.17Å; L363-F418 HydrophobicContact CD2-CE1 4.16Å
364V97.5Very high86.7Confident0 Ų024.3 Ų24.30%014%0.14CC..EExtended strand (participates in β ladder)trans-113.1118.4178.1-167.40000109.6L354 T355 A410 H411 I412 V435 F437L354-V364 WeakPolarHBondContact CA-O 3.29Å; T355-V364 PolarHBondContact N-O 2.81Å; T355-V364 VanDerWaalsContact N-O 3.1Å; T355-V364 PolarHBondContact O-N 3.29Å; V364-A410 HydrophobicContact CG1-CB 4.18Å; V364-H411 WeakPolarHBondContact CA-O 3.33Å; V364-I412 HydrophobicContact CG1-CG1 4.24Å; V364-I412 HydrophobicContact CG2-CG1 4.2Å; V364-I412 HydrophobicContact CG2-CG2 4.31Å; V364-V435 HydrophobicContact CB-CG1 3.96Å; V364-V435 HydrophobicContact CG1-CB 4.46Å; V364-V435 HydrophobicContact CG1-CG1 3.89Å; V364-V435 HydrophobicContact CG1-CG2 4.11Å; V364-F437 HydrophobicContact CG2-CE2 3.83Å; V364-F437 HydrophobicContact CG2-CZ 3.7Å
365C97.4Very high83.9Confident0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-102.6126.1180-63.60000110.4L313 F342 A410 H411 F413L313-C365 HydrophobicContact CD2-CB 4.24Å; F342-C365 HydrophobicContact CE1-CB 3.69Å; F342-C365 HydrophobicContact CZ-CB 4.06Å; C365-A410 CarbonylContact O-C 3.6Å; C365-A410 WeakPolarHBondContact O-CA 3.25Å; C365-H411 PolarHBondContact N-O 3.27Å; C365-H411 PolarHBondContact O-N 2.84Å; C365-F413 HydrophobicContact CB-CE2 4.21Å
366P96Very high81.3Confident0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-73.1-172.217133.5-37000111.1L313 R352 G368 V432 V435L313-P366 HydrophobicContact CD2-CG 3.98Å; R352-P366 HydrophobicContact CB-CG 4.41Å; R352-P366 WeakPolarHBondContact O-CG 3.19Å; P366-G368 PolarHBondContact O-N 2.84Å; P366-G368 VanDerWaalsContact O-N 3.1Å; P366-V432 HydrophobicContact CB-CB 3.96Å; P366-V432 HydrophobicContact CB-CG1 3.67Å; P366-V432 WeakPolarHBondContact CB-O 3.44Å; P366-V435 HydrophobicContact CB-CG2 4.1Å
367S93.3Very high78.6Confident1 Ų134.6 Ų34.61%0.00721%0.214CC..EExtended strand (participates in β ladder)trans56.831.4170.8-35.20000114.2F342 Q343 W347 R352 V432F342-S367 WeakPolarHBondContact CA-O 3.48Å; Q343-S367 WeakPolarHBondContact CG-O 3.47Å; Q343-S367 PolarHBondContact N-O 2.76Å; W347-S367 WeakPolarHBondContact CH2-OG 3.45Å; W347-S367 WeakPolarHBondContact CZ3-OG 3.42Å; R352-S367 WeakPolarHBondContact CG-OG 3.28Å; S367-V432 PolarHBondContact N-O 3.28Å; S367-V432 VanDerWaalsContact N-O 3.09Å; S367-V432 PolarHBondContact OG-O 3.38Å
368G92.2Very high75.9Confident0 Ų039.6 Ų39.60%024%0.24CC..EExtended strand (participates in β ladder)trans-73164.3177.100000113L341 Q343 P366 A409 H411L341-G368 CarbonylContact O-C 3.53Å; L341-G368 VanDerWaalsContact O-CA 3.32Å; L341-G368 WeakPolarHBondContact O-CA 3.46Å; Q343-G368 PolarHBondContact NE2-O 2.77Å; P366-G368 PolarHBondContact O-N 2.84Å; P366-G368 VanDerWaalsContact O-N 3.1Å; G368-A409 VanDerWaalsContact CA-O 3.23Å; G368-A409 WeakPolarHBondContact CA-O 2.96Å; G368-A409 PolarHBondContact N-O 3.18Å; G368-A409 PolarHBondContact O-N 3.47Å; G368-H411 VanDerWaalsContact CA-CD2 3.44Å; G368-H411 WeakPolarHBondContact CA-CD2 3.49Å; G368-H411 WeakPolarHBondContact CA-NE2 3.34Å
369N89.9Confident73.1Confident2 Ų242.8 Ų42.81%0.01126%0.259CS..EExtended strand (participates in β ladder)trans-143.3123.4-172.3-172.541.6000111.5Q339 R340 L341 Q343 E371 H411Q339-N369 PolarHBondContact NE2-O 3.37Å; R340-N369 WeakPolarHBondContact O-CB 3.44Å; R340-N369 PolarHBondContact O-ND2 2.75Å; R340-N369 VanDerWaalsContact O-ND2 3.16Å; L341-N369 PolarHBondContact O-N 3.35Å; Q343-N369 VanDerWaalsContact NE2-CB 3.26Å; Q343-N369 VanDerWaalsContact NE2-CG 3.35Å; Q343-N369 PolarHBondContact NE2-OD1 2.87Å; N369-E371 WeakPolarHBondContact ND2-CG 3.41Å; N369-E371 PolarHBondContact ND2-OE1 2.95Å; N369-H411 PolarHBondContact N-NE2 2.95Å
370L84.5Confident70.5Confident19 Ų1949.8 Ų49.810%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-12190.8179.8-61.5178.7000108.8A373 Q407 A409 P426L370-A373 HydrophobicContact CB-CB 3.77Å; L370-A373 HydrophobicContact CD1-CB 4.31Å; L370-Q407 HydrophobicContact CB-CB 4.04Å; L370-Q407 HydrophobicContact CB-CG 4.33Å; L370-Q407 WeakPolarHBondContact CB-O 3.37Å; L370-Q407 HydrophobicContact CD1-CG 4.34Å; L370-Q407 PolarHBondContact N-O 2.91Å; L370-Q407 PolarHBondContact O-N 2.71Å; L370-A409 HydrophobicContact CD1-CB 3.79Å; L370-A409 HydrophobicContact CG-CB 3.88Å; L370-P426 HydrophobicContact CD1-CB 3.95Å
371E71.3Confident67.8Low65 Ų6553.8 Ų53.830%0.30433%0.325SS..SBendtrans-75.7-27.4-173.8-59.5173.9139.100112Q339 R340 N369Q339-E371 HydrophobicContact CG-CB 4.4Å; Q339-E371 HydrophobicContact CG-CG 4.46Å; R340-E371 PolarHBondContact N-OE2 2.85Å; N369-E371 WeakPolarHBondContact ND2-CG 3.41Å; N369-E371 PolarHBondContact ND2-OE1 2.95Å
372D60Low65Low131 Ų13157.7 Ų57.770%0.70135%0.35SS*.SBendtrans-110.510-173.9-59.6-58.3000114.2
373A52.4Low62Low30 Ų3064.3 Ų64.325%0.24838%0.384CS..  trans-92.3117.4-170.300000113.8L370L370-A373 HydrophobicContact CB-CB 3.77Å; L370-A373 HydrophobicContact CD1-CB 4.31Å
374T44.2Very low58.8Low137 Ų13771.7 Ų71.784%0.8442%0.422SS*.  trans-70.2130.5172.545.80000111.4A376T374-A376 PolarHBondContact O-N 2.79Å
375F39.2Very low55.5Low110 Ų11077.8 Ų77.848%0.48246%0.464SS..  trans-80.3112.7-175.5177.1-102.4000112.1G377 L378F375-G377 PolarHBondContact O-N 2.9Å; F375-L378 HydrophobicContact CD1-CB 3.81Å; F375-L378 HydrophobicContact CD1-CD1 3.82Å; F375-L378 HydrophobicContact CD1-CG 3.54Å; F375-L378 HydrophobicContact CE1-CB 4.35Å; F375-L378 HydrophobicContact CE1-CG 3.92Å
376A42.7Very low52.3Low100 Ų10082 Ų8283%0.82649%0.494SS*.THydrogen-bonded Turntrans-65.7-2.1-175.400000116.1T374T374-A376 PolarHBondContact O-N 2.79Å
377G39Very low49.3Very low46 Ų4688.2 Ų88.247%0.47453%0.532SS..THydrogen-bonded Turntrans-1110.4-176.700000116.6F375F375-G377 PolarHBondContact O-N 2.9Å
378L38.1Very low46.4Very low105 Ų10595.9 Ų95.955%0.5557%0.573SS.*G310 helixtrans-89.41.7-176-95.4167.4000114.4F375 N380 S381F375-L378 HydrophobicContact CD1-CB 3.81Å; F375-L378 HydrophobicContact CD1-CD1 3.82Å; F375-L378 HydrophobicContact CD1-CG 3.54Å; F375-L378 HydrophobicContact CE1-CB 4.35Å; F375-L378 HydrophobicContact CE1-CG 3.92Å; L378-N380 PolarHBondContact O-N 2.78Å; L378-S381 VanDerWaalsContact CD2-OG 3.29Å; L378-S381 WeakPolarHBondContact CD2-OG 3.48Å; L378-S381 PolarHBondContact O-OG 2.94Å
379T33.3Very low43.6Very low109 Ų10999.3 Ų99.367%0.66961%0.609SS**G310 helixtrans-65.9-16.4-177.343.10000114.6
380N33.5Very low40.8Very low146 Ų146108.3 Ų108.378%0.78165%0.648SS**G310 helixtrans-108.212.6-173.1-73.8-16.4000115.3L378L378-N380 PolarHBondContact O-N 2.78Å
381S36.3Very low38.3Very low85 Ų85115.5 Ų115.559%0.59468%0.681SS**SBendtrans-117.69.5-177.4530000115.7L378L378-S381 VanDerWaalsContact CD2-OG 3.29Å; L378-S381 WeakPolarHBondContact CD2-OG 3.48Å; L378-S381 PolarHBondContact O-OG 2.94Å
382T31.7Very low36.5Very low120 Ų120122.2 Ų122.274%0.73671%0.712SS**SBendtrans-118.3-6.5-176.1-39.90000113.8
383I31.9Very low35.1Very low144 Ų144120.9 Ų120.974%0.73871%0.714SS**  trans-137.560.4-173.8-39.5-179.4000112.8
384I30.6Very low34.3Very low156 Ų156125.1 Ų125.180%0.873%0.732SS**  trans-135.464.2156.8-46.8-179.6000109.5
385S27.2Very low33.9Very low127 Ų127126.9 Ų126.989%0.88873%0.728SS**  trans-127.647.5172.1-63.70000110.6
386S30.4Very low33.6Very low90 Ų90129.8 Ų129.863%0.62975%0.747SS**  trans-153.588.3-178.150.50000113.4
387T34.7Very low33.3Very low129 Ų129130.8 Ų130.879%0.79174%0.742SS**SBendtrans-172.4136.5131.9150000111.9
388N31.6Very low32.8Very low162 Ų162136.1 Ų136.187%0.86676%0.76SS**  trans62.394.2155.2-51-16.2000119
389G33Very low32.5Very low73 Ų73137.2 Ų137.275%0.75377%0.771SS**  trans162.496.4158.600000116.5
390F32.1Very low32.8Very low190 Ų190136.5 Ų136.583%0.83378%0.777SS**  trans36.8105.7157.7-77.8-88.1000120.9
391E32.1Very low32.9Very low171 Ų171136.7 Ų136.780%0.79978%0.776SS**  28.299.5124.9-58.3-179.3169.700119.2
392Q32.2Very low33Very low205 Ų205137.8 Ų137.896%0.95878%0.781SS**  -170.5160105.3-100.8176.46.800111.4
393S31.3Very low33.5Very low104 Ų104140 Ų14073%0.72779%0.787SS**  trans-113.3135.5-169.256.30000113.3
394D35.4Very low34.5Very low119 Ų119137.4 Ų137.464%0.63678%0.778SS**  -174.5144.5116-111.216.9000114.2
395K35.5Very low35.5Very low173 Ų173133.3 Ų133.375%0.75277%0.768SS**  trans55.881.1152.9-64163.2-173.5132.80118.5
396I33.6Very low37Very low171 Ų171130.7 Ų130.788%0.87775%0.748SS**  trans-81.7138.3146.6-61.8172.9000107.8
397V35Very low39.3Very low121 Ų121127.2 Ų127.273%0.73372%0.722SS**  trans-114.1131.2176.5175.30000109.6T399V397-T399 PolarHBondContact O-N 2.9Å
398D30.2Very low41.9Very low159 Ų159122.5 Ų122.585%0.8569%0.69SS**  trans-68.1112.3178.5-68.4-62.2000112.4
399T30.6Very low44.8Very low127 Ų127114.8 Ų114.878%0.77965%0.649SS**  trans-15478.7154.9-32.40000111.9V397V397-T399 PolarHBondContact O-N 2.9Å
400A39.3Very low47.8Very low95 Ų95111.3 Ų111.379%0.78561%0.613SS**  trans-126.274.7175.500000111.2P402A400-P402 WeakPolarHBondContact O-CD 3.14Å
401I37.2Very low50.8Low149 Ų149102.2 Ų102.276%0.76457%0.574SS**  trans-66.5122162-59.1174.2000106.5L403I401-L403 PolarHBondContact O-N 3.21Å
402P38Very low53.8Low109 Ų10994.2 Ų94.271%0.70854%0.536SS*.  trans-68.5102.5173.928.1-32.5000108.4A400 V404A400-P402 WeakPolarHBondContact O-CD 3.14Å; P402-V404 PolarHBondContact O-N 3.08Å
403L41.3Very low56.8Low165 Ų16584.6 Ų84.686%0.86449%0.491SS*.  trans-63.6101170.2-178.468.7000107.6I401 A405I401-L403 PolarHBondContact O-N 3.21Å; L403-A405 VanDerWaalsContact C-N 3.29Å; L403-A405 PolarHBondContact O-N 3.3Å
404V53.2Low59.8Low90 Ų9081.3 Ų81.355%0.54547%0.466SS..  trans-66.691.9176.7-177.70000107.7P402P402-V404 PolarHBondContact O-N 3.08Å
405A52.7Low62.6Low70 Ų7077.4 Ų77.458%0.57944%0.443SS*.PPolyproline II helixtrans-63.9133.7176.600000109L403 Q407L403-A405 VanDerWaalsContact C-N 3.29Å; L403-A405 PolarHBondContact O-N 3.3Å; A405-Q407 PolarHBondContact O-N 3.31Å; A405-Q407 VanDerWaalsContact O-N 3.09Å
406P57.2Low65.2Low73 Ų7374.7 Ų74.747%0.47445%0.446SS..PPolyproline II helixtrans-59.8118-178.724.6-33.7000109.5
407Q78.6Confident68Low17 Ų1770 Ų708%0.07942%0.423CS..EExtended strand (participates in β ladder)trans-81.2126.3-175.9171.7175.997.700109.4L370 A405 P426L370-Q407 HydrophobicContact CB-CB 4.04Å; L370-Q407 HydrophobicContact CB-CG 4.33Å; L370-Q407 WeakPolarHBondContact CB-O 3.37Å; L370-Q407 HydrophobicContact CD1-CG 4.34Å; L370-Q407 PolarHBondContact N-O 2.91Å; L370-Q407 PolarHBondContact O-N 2.71Å; A405-Q407 PolarHBondContact O-N 3.31Å; A405-Q407 VanDerWaalsContact O-N 3.09Å; Q407-P426 HydrophobicContact CG-CB 4.11Å
408H89.7Confident70.8Confident29 Ų2965.1 Ų65.113%0.13439%0.391CS..EExtended strand (participates in β ladder)trans-74.4155.2175.1-61.2-61.3000111.3Q343 T427 G428 K430 P431Q343-H408 PolarHBondContact NE2-ND1 3.42Å; H408-T427 PolarHBondContact O-N 2.86Å; H408-T427 PolarHBondContact O-OG1 2.87Å; H408-G428 PolarHBondContact N-O 2.77Å; H408-K430 WeakPolarHBondContact CB-O 3.43Å; H408-P431 HydrophobicContact CB-CB 4.41Å
409A92.6Very high73.7Confident0 Ų061.8 Ų61.80%038%0.377CS..EExtended strand (participates in β ladder)trans-151.9170.9179.100000113.1G368 L370 L425G368-A409 VanDerWaalsContact CA-O 3.23Å; G368-A409 WeakPolarHBondContact CA-O 2.96Å; G368-A409 PolarHBondContact N-O 3.18Å; G368-A409 PolarHBondContact O-N 3.47Å; L370-A409 HydrophobicContact CD1-CB 3.79Å; L370-A409 HydrophobicContact CG-CB 3.88Å; A409-L425 CarbonylContact C-O 3.53Å; A409-L425 WeakPolarHBondContact CA-O 3.39Å; A409-L425 VanDerWaalsContact CB-O 3.31Å; A409-L425 WeakPolarHBondContact CB-O 3.44Å
410A95.3Very high76.5Confident0 Ų064.2 Ų64.20%037%0.372CS..EExtended strand (participates in β ladder)trans-109.9140.9153.600000110V364 C365 S424 L425 V432 L472V364-A410 HydrophobicContact CG1-CB 4.18Å; C365-A410 CarbonylContact O-C 3.6Å; C365-A410 WeakPolarHBondContact O-CA 3.25Å; A410-S424 WeakPolarHBondContact O-CA 3.05Å; A410-L425 PolarHBondContact N-O 2.86Å; A410-L425 PolarHBondContact O-N 2.93Å; A410-V432 HydrophobicContact CB-CG2 4.33Å; A410-L472 HydrophobicContact CB-CD1 3.87Å; A410-L472 HydrophobicContact CB-CD2 3.77Å; A410-L472 HydrophobicContact CB-CG 4.5Å
411H95.6Very high79Confident0 Ų060.3 Ų60.30%034%0.338CS..EExtended strand (participates in β ladder)trans-108.1123.9-178.7-69.6-57.2000110.9L341 F342 V364 C365 G368 N369 F413 P421 S424L341-H411 PolarHBondContact O-CD2 3.4Å; L341-H411 VanDerWaalsContact O-CD2 3.28Å; L341-H411 PolarHBondContact O-NE2 2.89Å; F342-H411 AromaticContact CE1-CD2 3.94Å; V364-H411 WeakPolarHBondContact CA-O 3.33Å; C365-H411 PolarHBondContact N-O 3.27Å; C365-H411 PolarHBondContact O-N 2.84Å; G368-H411 VanDerWaalsContact CA-CD2 3.44Å; G368-H411 WeakPolarHBondContact CA-CD2 3.49Å; G368-H411 WeakPolarHBondContact CA-NE2 3.34Å; N369-H411 PolarHBondContact N-NE2 2.95Å; H411-F413 HydrophobicContact CB-CE2 3.71Å; H411-F413 HydrophobicContact CB-CZ 4.2Å; H411-P421 HydrophobicContact CB-CB 4.06Å; H411-S424 PolarHBondContact CE1-OG 3.08Å; H411-S424 VanDerWaalsContact CE1-OG 3.25Å; H411-S424 PolarHBondContact ND1-OG 2.82Å
412I95.9Very high81.7Confident3 Ų356.8 Ų56.82%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-96.6132175.3-47.7-178.3000109.1L362 L363 V364 P421 V422 V423 L425 F462 F470L362-I412 HydrophobicContact CB-CG2 4.27Å; L362-I412 HydrophobicContact CD1-CG2 4.42Å; L362-I412 HydrophobicContact CD2-CG2 4.18Å; L363-I412 CarbonylContact O-C 3.56Å; L363-I412 WeakPolarHBondContact O-CA 3.22Å; V364-I412 HydrophobicContact CG1-CG1 4.24Å; V364-I412 HydrophobicContact CG2-CG1 4.2Å; V364-I412 HydrophobicContact CG2-CG2 4.31Å; I412-P421 CarbonylContact O-C 3.53Å; I412-P421 WeakPolarHBondContact O-CA 3.39Å; I412-P421 WeakPolarHBondContact O-CB 3.39Å; I412-V422 HydrophobicContact CB-CG1 4.25Å; I412-V422 HydrophobicContact CG2-CG1 4.13Å; I412-V422 WeakPolarHBondContact O-CG1 3.26Å; I412-V422 PolarHBondContact O-N 3.46Å; I412-V423 HydrophobicContact CB-CB 4.24Å; I412-V423 HydrophobicContact CD1-CB 4.19Å; I412-V423 HydrophobicContact CD1-CG1 4.18Å; I412-V423 HydrophobicContact CG1-CB 4.37Å; I412-V423 PolarHBondContact N-O 3.37Å; I412-V423 PolarHBondContact O-N 2.88Å; I412-L425 HydrophobicContact CD1-CD1 4.08Å; I412-L425 HydrophobicContact CD1-CG 4.25Å; I412-F462 HydrophobicContact CD1-CE2 4.48Å; I412-F462 HydrophobicContact CG2-CZ 3.97Å; I412-F470 HydrophobicContact CD1-CZ 4.34Å
413F95.4Very high84.2Confident3 Ų352.6 Ų52.61%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-116.5149.3173.6-61.4-96.3000109.7V333 F342 L362 L363 C365 H411 F418 R420 P421V333-F413 HydrophobicContact CG1-CE1 3.77Å; V333-F413 HydrophobicContact CG1-CZ 3.85Å; V333-F413 HydrophobicContact CG2-CE1 4.31Å; F342-F413 HydrophobicContact CZ-CE2 4.24Å; F342-F413 HydrophobicContact CZ-CZ 4.14Å; L362-F413 WeakPolarHBondContact CA-O 3.44Å; L363-F413 HydrophobicContact CB-CB 4.35Å; L363-F413 PolarHBondContact N-O 3.01Å; L363-F413 PolarHBondContact O-N 2.91Å; C365-F413 HydrophobicContact CB-CE2 4.21Å; H411-F413 HydrophobicContact CB-CE2 3.71Å; H411-F413 HydrophobicContact CB-CZ 4.2Å; F413-F418 HydrophobicContact CB-CD1 4.21Å; F413-F418 WeakPolarHBondContact CD1-O 3.47Å; F413-F418 WeakPolarHBondContact CE1-O 3.41Å; F413-R420 VanDerWaalsContact CD1-C 3.5Å; F413-R420 WeakPolarHBondContact CD1-O 3.47Å; F413-R420 VanDerWaalsContact CE1-C 3.47Å; F413-P421 HydrophobicContact CD1-CB 4.34Å; F413-P421 HydrophobicContact CE1-CB 3.98Å; F413-P421 HydrophobicContact CE1-CG 4.34Å; F413-P421 VanDerWaalsContact CE1-N 3.25Å; F413-P421 HydrophobicContact CE2-CB 4.35Å; F413-P421 HydrophobicContact CZ-CB 3.97Å; F413-P421 HydrophobicContact CZ-CG 4.34Å
414V94.3Very high86.6Confident34 Ų3446.9 Ų46.921%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-98.2143.6172.5-72.10000110.5L362 S416 N417 V422 F462L362-V414 HydrophobicContact CD2-CG1 3.97Å; V414-S416 PolarHBondContact O-N 2.96Å; V414-S416 VanDerWaalsContact O-N 3.16Å; V414-N417 HydrophobicContact CG2-CB 4.39Å; V414-N417 CarbonylContact O-C 3.56Å; V414-N417 PolarHBondContact O-N 2.98Å; V414-V422 HydrophobicContact CG1-CB 4.27Å; V414-V422 HydrophobicContact CG1-CG1 3.9Å; V414-F462 HydrophobicContact CG1-CE1 4.03Å
415R92.8Very high88.5Confident37 Ų3742.7 Ų42.714%0.1424%0.244CC..THydrogen-bonded Turntrans-54.4-35.5179.9-169.1-171.8-168.8794.1113.7D304 Y309 G360 L361 N417 F418D304-R415 VanDerWaalsContact CG-NH1 3.28Å; D304-R415 IonicContact OD1-CZ 2.76Å; D304-R415 IonicContact OD1-NH1 3.63Å; D304-R415 PolarHBondContact OD1-NH1 2.92Å; D304-R415 IonicContact OD1-NH2 2.77Å; D304-R415 IonicContact OD2-CZ 3.45Å; D304-R415 IonicContact OD2-NH1 3.24Å; D304-R415 PolarHBondContact OD2-NH1 3.06Å; D304-R415 IonicContact OD2-NH2 3.7Å; D304-R415 PolarHBondContact OD2-NH2 3.17Å; Y309-R415 HydrophobicContact CE2-CG 4.1Å; G360-R415 WeakPolarHBondContact O-CD 3.12Å; G360-R415 PolarHBondContact O-NH1 3.29Å; L361-R415 WeakPolarHBondContact O-CB 3.19Å; L361-R415 PolarHBondContact O-N 3.45Å; R415-N417 VanDerWaalsContact C-N 3.25Å; R415-N417 PolarHBondContact O-N 2.99Å; R415-F418 HydrophobicContact CB-CZ 4.38Å; R415-F418 HydrophobicContact CG-CE2 4.45Å; R415-F418 HydrophobicContact CG-CZ 4.13Å; R415-F418 WeakPolarHBondContact O-CE2 3.28Å
416S91.6Very high90.3Very high116 Ų11642.2 Ų42.281%0.81124%0.236SC*.THydrogen-bonded Turntrans-69.3-19.2178520000113.9V414V414-S416 PolarHBondContact O-N 2.96Å; V414-S416 VanDerWaalsContact O-N 3.16Å
417N91.8Very high91.8Very high74 Ų7439.7 Ų39.740%0.39622%0.219SC..BIsolated β-bridgetrans-156.694.3175.7-173.51.4000112.1V414 R415 T419V414-N417 HydrophobicContact CG2-CB 4.39Å; V414-N417 CarbonylContact O-C 3.56Å; V414-N417 PolarHBondContact O-N 2.98Å; R415-N417 VanDerWaalsContact C-N 3.25Å; R415-N417 PolarHBondContact O-N 2.99Å; N417-T419 VanDerWaalsContact C-N 3.28Å; N417-T419 PolarHBondContact O-N 2.91Å; N417-T419 WeakPolarHBondContact OD1-CB 3.38Å; N417-T419 PolarHBondContact OD1-N 3.3Å; N417-T419 PolarHBondContact OD1-OG1 2.94Å
418F92.8Very high92Very high17 Ų1739.5 Ų39.58%0.07522%0.221CC..THydrogen-bonded Turntrans-74.2-9.9173.3-64.1-70.6000114.3Y309 I321 A331 V333 F356 L363 F413 R415 R420Y309-F418 AromaticContact CD2-CE2 3.78Å; Y309-F418 HydrophobicContact CD2-CE2 3.78Å; Y309-F418 AromaticContact CD2-CZ 3.88Å; Y309-F418 HydrophobicContact CD2-CZ 3.88Å; Y309-F418 AromaticContact CE2-CE2 3.71Å; Y309-F418 HydrophobicContact CE2-CE2 3.71Å; Y309-F418 HydrophobicContact CE2-CZ 4.11Å; Y309-F418 HydrophobicContact CG-CE2 4.44Å; I321-F418 HydrophobicContact CD1-CD1 4.42Å; I321-F418 HydrophobicContact CG1-CB 4.01Å; I321-F418 HydrophobicContact CG1-CD1 4.25Å; I321-F418 HydrophobicContact CG1-CG 4.02Å; I321-F418 HydrophobicContact CG2-CD2 4.15Å; I321-F418 HydrophobicContact CG2-CE2 4.22Å; I321-F418 HydrophobicContact CG2-CG 4.45Å; A331-F418 HydrophobicContact CB-CB 3.85Å; V333-F418 WeakPolarHBondContact CG2-O 3.38Å; F356-F418 AromaticContact CE1-CE1 3.99Å; F356-F418 HydrophobicContact CE1-CE1 3.99Å; F356-F418 HydrophobicContact CE1-CZ 4.07Å; L363-F418 HydrophobicContact CB-CE1 4.08Å; L363-F418 HydrophobicContact CD2-CD1 4.17Å; L363-F418 HydrophobicContact CD2-CE1 4.16Å; F413-F418 HydrophobicContact CB-CD1 4.21Å; F413-F418 WeakPolarHBondContact CD1-O 3.47Å; F413-F418 WeakPolarHBondContact CE1-O 3.41Å; R415-F418 HydrophobicContact CB-CZ 4.38Å; R415-F418 HydrophobicContact CG-CE2 4.45Å; R415-F418 HydrophobicContact CG-CZ 4.13Å; R415-F418 WeakPolarHBondContact O-CE2 3.28Å; F418-R420 VanDerWaalsContact C-N 3.29Å; F418-R420 PolarHBondContact O-N 2.85Å
419T91.3Very high91.6Very high89 Ų8943.1 Ų43.155%0.54625%0.25SS..THydrogen-bonded Turntrans-72.1-18.7-16968.20000114.8N417N417-T419 VanDerWaalsContact C-N 3.28Å; N417-T419 PolarHBondContact O-N 2.91Å; N417-T419 WeakPolarHBondContact OD1-CB 3.38Å; N417-T419 PolarHBondContact OD1-N 3.3Å; N417-T419 PolarHBondContact OD1-OG1 2.94Å
420R90Very high91.1Very high178 Ų17845.9 Ų45.967%0.67226%0.262SS*.SBendtrans-147.8140.6-178.5178.3-172.7160.9166.6-2.3109.3F413 F418F413-R420 VanDerWaalsContact CD1-C 3.5Å; F413-R420 WeakPolarHBondContact CD1-O 3.47Å; F413-R420 VanDerWaalsContact CE1-C 3.47Å; F418-R420 VanDerWaalsContact C-N 3.29Å; F418-R420 PolarHBondContact O-N 2.85Å
421P92.4Very high90.8Very high13 Ų1346.1 Ų46.18%0.08426%0.264CS..  trans-65.9140.5173.627.5-34.3000111.3L341 H411 I412 F413L341-P421 HydrophobicContact CD1-CG 4.45Å; L341-P421 HydrophobicContact CD2-CG 4Å; H411-P421 HydrophobicContact CB-CB 4.06Å; I412-P421 CarbonylContact O-C 3.53Å; I412-P421 WeakPolarHBondContact O-CA 3.39Å; I412-P421 WeakPolarHBondContact O-CB 3.39Å; F413-P421 HydrophobicContact CD1-CB 4.34Å; F413-P421 HydrophobicContact CE1-CB 3.98Å; F413-P421 HydrophobicContact CE1-CG 4.34Å; F413-P421 VanDerWaalsContact CE1-N 3.25Å; F413-P421 HydrophobicContact CE2-CB 4.35Å; F413-P421 HydrophobicContact CZ-CB 3.97Å; F413-P421 HydrophobicContact CZ-CG 4.34Å
422V92.3Very high90.8Very high76 Ų7646.1 Ų46.146%0.46126%0.264SS..SBendtrans-79-35.3172.462.80000111I412 V414 F462I412-V422 HydrophobicContact CB-CG1 4.25Å; I412-V422 HydrophobicContact CG2-CG1 4.13Å; I412-V422 WeakPolarHBondContact O-CG1 3.26Å; I412-V422 PolarHBondContact O-N 3.46Å; V414-V422 HydrophobicContact CG1-CB 4.27Å; V414-V422 HydrophobicContact CG1-CG1 3.9Å; V422-F462 HydrophobicContact CG1-CE1 3.94Å; V422-F462 HydrophobicContact CG1-CZ 3.92Å
423V91.7Very high90.7Very high20 Ų2046.3 Ų46.312%0.12127%0.265CS..EExtended strand (participates in β ladder)trans-142.1141.1-176.9173.80000108.8I412 L425 L461 F462 T486I412-V423 HydrophobicContact CB-CB 4.24Å; I412-V423 HydrophobicContact CD1-CB 4.19Å; I412-V423 HydrophobicContact CD1-CG1 4.18Å; I412-V423 HydrophobicContact CG1-CB 4.37Å; I412-V423 PolarHBondContact N-O 3.37Å; I412-V423 PolarHBondContact O-N 2.88Å; V423-L425 HydrophobicContact CG1-CD2 3.77Å; V423-L425 HydrophobicContact CG1-CG 4.32Å; V423-L461 HydrophobicContact CG2-CD1 3.94Å; V423-L461 HydrophobicContact CG2-CD2 4.21Å; V423-L461 HydrophobicContact CG2-CG 4.32Å; V423-F462 HydrophobicContact CG2-CZ 4.46Å; V423-T486 HydrophobicContact CG1-CG2 4.23Å
424S91.8Very high90.8Very high46 Ų4646.2 Ų46.232%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-115.5125.3167.3-580000108A410 H411 P426A410-S424 WeakPolarHBondContact O-CA 3.05Å; H411-S424 PolarHBondContact CE1-OG 3.08Å; H411-S424 VanDerWaalsContact CE1-OG 3.25Å; H411-S424 PolarHBondContact ND1-OG 2.82Å; S424-P426 VanDerWaalsContact O-CD 3.32Å; S424-P426 WeakPolarHBondContact O-CD 3.27Å
425L92.5Very high91Very high1 Ų144.6 Ų44.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-97.6102.7176.4-60.2-179.7000108.6A409 A410 I412 V423 F470 L472 Y481A409-L425 CarbonylContact C-O 3.53Å; A409-L425 WeakPolarHBondContact CA-O 3.39Å; A409-L425 VanDerWaalsContact CB-O 3.31Å; A409-L425 WeakPolarHBondContact CB-O 3.44Å; A410-L425 PolarHBondContact N-O 2.86Å; A410-L425 PolarHBondContact O-N 2.93Å; I412-L425 HydrophobicContact CD1-CD1 4.08Å; I412-L425 HydrophobicContact CD1-CG 4.25Å; V423-L425 HydrophobicContact CG1-CD2 3.77Å; V423-L425 HydrophobicContact CG1-CG 4.32Å; L425-F470 HydrophobicContact CD1-CE2 3.77Å; L425-F470 HydrophobicContact CD1-CZ 3.88Å; L425-L472 HydrophobicContact CB-CD1 4.4Å; L425-L472 HydrophobicContact CD1-CD1 4.27Å; L425-Y481 HydrophobicContact CB-CE1 4.34Å; L425-Y481 HydrophobicContact CD1-CD1 3.84Å; L425-Y481 HydrophobicContact CD1-CD2 4.38Å; L425-Y481 HydrophobicContact CD1-CE1 3.86Å; L425-Y481 HydrophobicContact CD1-CE2 4.39Å; L425-Y481 HydrophobicContact CD1-CG 4.09Å; L425-Y481 HydrophobicContact CD2-CD1 4.21Å; L425-Y481 HydrophobicContact CD2-CE1 3.89Å; L425-Y481 HydrophobicContact CG-CE1 4.25Å
426P90.7Very high91.2Very high61 Ų6144.6 Ų44.640%0.39626%0.255SS..EExtended strand (participates in β ladder)trans-71.6136.6-179.330-35.5000111.4L370 Q407 S424L370-P426 HydrophobicContact CD1-CB 3.95Å; Q407-P426 HydrophobicContact CG-CB 4.11Å; S424-P426 VanDerWaalsContact O-CD 3.32Å; S424-P426 WeakPolarHBondContact O-CD 3.27Å
427T88.5Confident91.5Very high19 Ų1940 Ų4012%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-116.19.6178.257.70000113.2H408 K430 V432 L472 L474 L479H408-T427 PolarHBondContact O-N 2.86Å; H408-T427 PolarHBondContact O-OG1 2.87Å; T427-K430 WeakPolarHBondContact CB-O 3.5Å; T427-K430 PolarHBondContact OG1-O 2.88Å; T427-V432 HydrophobicContact CG2-CG2 3.63Å; T427-L472 HydrophobicContact CG2-CD1 3.99Å; T427-L474 HydrophobicContact CG2-CD1 4.4Å; T427-L474 HydrophobicContact CG2-CD2 4.19Å; T427-L474 HydrophobicContact CG2-CG 4.42Å; T427-L479 HydrophobicContact CG2-CD1 3.98Å
428G83.2Confident91.6Very high13 Ų1336.5 Ų36.513%0.13420%0.202CC..EExtended strand (participates in β ladder)trans71.6-132.7176.600000112.4H408 K430H408-G428 PolarHBondContact N-O 2.77Å; G428-K430 VanDerWaalsContact C-N 3.26Å; G428-K430 PolarHBondContact O-N 2.81Å
429S82Confident91.5Very high106 Ų10637 Ų3774%0.74121%0.207SC*.THydrogen-bonded Turntrans-81.54-179.454.90000114.4
430K82.2Confident91.5Very high58 Ų5833.1 Ų33.125%0.25218%0.182SC..SBendtrans-116.1123.3-178.5-76-75.8166.1171.70112.6H408 T427 G428 L474 E475 D476H408-K430 WeakPolarHBondContact CB-O 3.43Å; T427-K430 WeakPolarHBondContact CB-O 3.5Å; T427-K430 PolarHBondContact OG1-O 2.88Å; G428-K430 VanDerWaalsContact C-N 3.26Å; G428-K430 PolarHBondContact O-N 2.81Å; K430-L474 HydrophobicContact CB-CB 4.47Å; K430-L474 HydrophobicContact CB-CD2 3.99Å; K430-E475 HydrophobicContact CD-CB 4.19Å; K430-E475 IonicContact NZ-OE2 2.64Å; K430-E475 PolarHBondContact NZ-OE2 2.74Å; K430-D476 HydrophobicContact CD-CB 4.49Å; K430-D476 VanDerWaalsContact CD-OD2 3.25Å; K430-D476 WeakPolarHBondContact CD-OD2 3.21Å; K430-D476 WeakPolarHBondContact CE-OD2 3.39Å; K430-D476 IonicContact NZ-OD2 3.58Å; K430-D476 PolarHBondContact NZ-OD2 2.61Å
431P88.5Confident91.5Very high5 Ų524.6 Ų24.63%0.03215%0.15CC..  trans-78.5148.1-175.731-33.4000112W347 H408 L474 E475W347-P431 HydrophobicContact CD2-CB 4.38Å; W347-P431 HydrophobicContact CH2-CB 4.48Å; W347-P431 HydrophobicContact CZ2-CB 3.6Å; W347-P431 HydrophobicContact CZ2-CG 3.81Å; H408-P431 HydrophobicContact CB-CB 4.41Å; P431-L474 VanDerWaalsContact O-CA 3.31Å; P431-L474 WeakPolarHBondContact O-CA 3.41Å; P431-E475 PolarHBondContact O-N 3.13Å
432V94.5Very high91.5Very high0 Ų024 Ų240%015%0.146CC..EExtended strand (participates in β ladder)trans-86.7128173.4-170.30000109.5W347 P366 S367 A410 T427 V435 L472 L474W347-V432 WeakPolarHBondContact CH2-O 3.36Å; P366-V432 HydrophobicContact CB-CB 3.96Å; P366-V432 HydrophobicContact CB-CG1 3.67Å; P366-V432 WeakPolarHBondContact CB-O 3.44Å; S367-V432 PolarHBondContact N-O 3.28Å; S367-V432 VanDerWaalsContact N-O 3.09Å; S367-V432 PolarHBondContact OG-O 3.38Å; A410-V432 HydrophobicContact CB-CG2 4.33Å; T427-V432 HydrophobicContact CG2-CG2 3.63Å; V432-V435 HydrophobicContact CG1-CG2 4.07Å; V432-L472 HydrophobicContact CG1-CB 3.99Å; V432-L472 HydrophobicContact CG1-CD2 4.43Å; V432-L472 HydrophobicContact CG2-CB 4.44Å; V432-L472 HydrophobicContact CG2-CD1 4.31Å; V432-L474 HydrophobicContact CG2-CD1 4.35Å; V432-L474 HydrophobicContact CG2-CG 4.38Å
433V95.2Very high91.4Very high7 Ų725.2 Ų25.24%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-97.8-46.7-178.5-179.10000111W347 F351 R352 R353 V473W347-V433 HydrophobicContact CH2-CG2 4.39Å; W347-V433 HydrophobicContact CZ2-CG2 4.06Å; F351-V433 HydrophobicContact CB-CG1 3.88Å; F351-V433 HydrophobicContact CD2-CG1 4.4Å; R352-V433 CarbonylContact C-O 3.55Å; R352-V433 WeakPolarHBondContact CA-O 3.48Å; R353-V433 PolarHBondContact N-O 2.89Å; V433-V473 PolarHBondContact N-O 3.23Å
434A97.3Very high91.3Very high0 Ų026.1 Ų26.10%015%0.15CC..EExtended strand (participates in β ladder)trans-140155.4-178.300000111.9R353 V473R353-A434 HydrophobicContact CB-CB 3.77Å; A434-V473 HydrophobicContact CB-CB 4.08Å; A434-V473 HydrophobicContact CB-CG2 4.21Å; A434-V473 PolarHBondContact N-O 3.46Å; A434-V473 PolarHBondContact O-N 2.95Å
435V97.9Very high90.9Very high0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-128.3136.6171.8-174.60000109.5R353 T355 V364 P366 V432 F470 C471 L472R353-V435 PolarHBondContact O-N 2.99Å; T355-V435 HydrophobicContact CG2-CB 3.87Å; T355-V435 HydrophobicContact CG2-CG1 3.75Å; T355-V435 WeakPolarHBondContact CG2-O 3.33Å; V364-V435 HydrophobicContact CB-CG1 3.96Å; V364-V435 HydrophobicContact CG1-CB 4.46Å; V364-V435 HydrophobicContact CG1-CG1 3.89Å; V364-V435 HydrophobicContact CG1-CG2 4.11Å; P366-V435 HydrophobicContact CB-CG2 4.1Å; V432-V435 HydrophobicContact CG1-CG2 4.07Å; V435-F470 HydrophobicContact CG1-CD2 4.19Å; V435-C471 WeakPolarHBondContact CA-O 3.4Å; V435-L472 HydrophobicContact CB-CD2 4.34Å; V435-L472 HydrophobicContact CG1-CD2 3.86Å; V435-L472 HydrophobicContact CG2-CD2 3.66Å
436R97.5Very high90Very high37 Ų3736 Ų3614%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-139.2122.1-177.7-61.8-72.4177.6-145.9-0.1111.5F470 C471 D502 A503 W505R436-F470 CarbonylContact O-C 3.57Å; R436-F470 WeakPolarHBondContact O-CA 3.45Å; R436-F470 WeakPolarHBondContact O-CB 3.2Å; R436-C471 PolarHBondContact N-O 2.89Å; R436-C471 PolarHBondContact O-N 3.05Å; R436-D502 IonicContact CZ-OD1 3.6Å; R436-D502 VanDerWaalsContact CZ-OD1 3.24Å; R436-D502 IonicContact CZ-OD2 2.77Å; R436-D502 IonicContact NE-OD1 3.23Å; R436-D502 PolarHBondContact NE-OD1 2.77Å; R436-D502 IonicContact NH2-OD1 2.74Å; R436-D502 PolarHBondContact NH2-OD1 2.89Å; R436-D502 IonicContact NH2-OD2 3.29Å; R436-D502 PolarHBondContact NH2-OD2 3.09Å; R436-A503 VanDerWaalsContact CD-O 3.25Å; R436-A503 WeakPolarHBondContact CD-O 3.29Å; R436-A503 HydrophobicContact CG-CB 4.34Å; R436-A503 VanDerWaalsContact CG-O 3.23Å; R436-A503 WeakPolarHBondContact CG-O 3.39Å; R436-A503 PolarHBondContact NE-O 2.9Å; R436-W505 PolarHBondContact O-NE1 3.48Å; R436-W505 VanDerWaalsContact O-NE1 3.16Å
437F96.9Very high88.5Confident21 Ų2137.3 Ų37.39%0.09219%0.194CC..EExtended strand (participates in β ladder)trans-78.5146.4170.1-78.8-85.4000111.8T355 F356 S357 P358 V364 W468 F470T355-F437 HydrophobicContact CG2-CD2 3.58Å; T355-F437 HydrophobicContact CG2-CE2 3.81Å; F356-F437 VanDerWaalsContact O-CD2 3.23Å; F356-F437 WeakPolarHBondContact O-CD2 3.48Å; S357-F437 VanDerWaalsContact CA-CE2 3.48Å; P358-F437 HydrophobicContact CG-CB 4.03Å; V364-F437 HydrophobicContact CG2-CE2 3.83Å; V364-F437 HydrophobicContact CG2-CZ 3.7Å; F437-W468 HydrophobicContact CD1-CB 3.87Å; F437-W468 HydrophobicContact CD1-CG 4.42Å; F437-W468 HydrophobicContact CE1-CB 3.93Å; F437-F470 HydrophobicContact CD1-CB 3.68Å; F437-F470 HydrophobicContact CD1-CD1 4.18Å; F437-F470 HydrophobicContact CD1-CG 4.27Å; F437-F470 HydrophobicContact CE1-CB 3.88Å; F437-F470 AromaticContact CE1-CD1 3.63Å; F437-F470 HydrophobicContact CE1-CD1 3.63Å; F437-F470 HydrophobicContact CE1-CE1 4.43Å; F437-F470 AromaticContact CE1-CG 3.96Å; F437-F470 HydrophobicContact CE1-CG 3.96Å; F437-F470 HydrophobicContact CG-CB 4.02Å; F437-F470 HydrophobicContact CZ-CB 4.38Å; F437-F470 HydrophobicContact CZ-CD1 4.22Å; F437-F470 HydrophobicContact CZ-CG 4.31Å
438C94.9Very high86.3Confident0 Ų042.2 Ų42.20%022%0.22CC..  trans-69133.3162-174.50000109.4Q440 L469 W505 G509C438-Q440 PolarHBondContact O-N 3.06Å; C438-L469 HydrophobicContact CB-CB 4.01Å; C438-L469 WeakPolarHBondContact CB-O 3.35Å; C438-L469 PolarHBondContact N-O 2.81Å; C438-W505 HydrophobicContact CB-CD2 3.77Å; C438-W505 HydrophobicContact CB-CE3 3.71Å; C438-W505 HydrophobicContact CB-CG 4.34Å; C438-W505 HydrophobicContact CB-CH2 4.28Å; C438-W505 HydrophobicContact CB-CZ2 4.33Å; C438-W505 HydrophobicContact CB-CZ3 3.98Å; C438-W505 VanDerWaalsContact SG-CE3 3.59Å; C438-G509 WeakPolarHBondContact SG-CA 3.47Å
439P90.8Very high84.2Confident28 Ų2846 Ų4618%0.18224%0.237CC..SBendtrans-73.7-12179.229.8-35.8000113.6S506P439-S506 WeakPolarHBondContact CG-O 3.46Å
440Q89.7Confident82Confident6 Ų647.9 Ų47.93%0.02824%0.238CC..SBendtrans-94.2134.8173.5-70.8-61.7-43.100111.8C438 F442 K507 D508 F534C438-Q440 PolarHBondContact O-N 3.06Å; Q440-F442 HydrophobicContact CB-CE2 4.03Å; Q440-F442 HydrophobicContact CB-CZ 4.45Å; Q440-F442 VanDerWaalsContact O-CD2 3.3Å; Q440-F442 WeakPolarHBondContact O-CD2 3.43Å; Q440-F442 WeakPolarHBondContact O-CE2 3.2Å; Q440-K507 WeakPolarHBondContact CG-O 3.43Å; Q440-K507 PolarHBondContact NE2-O 2.77Å; Q440-D508 WeakPolarHBondContact CG-O 3.29Å; Q440-F534 HydrophobicContact CB-CD1 3.69Å; Q440-F534 HydrophobicContact CB-CE1 3.6Å; Q440-F534 HydrophobicContact CG-CD1 4.05Å; Q440-F534 HydrophobicContact CG-CE1 3.71Å; Q440-F534 HydrophobicContact CG-CZ 4.36Å
441P91.2Very high79.8Confident0 Ų050 Ų500%026%0.259CS..  trans-82.5147.2169.636.7-37.6000110.4F49 W468 F534 Y535 F539F49-P441 HydrophobicContact CD2-CG 3.85Å; F49-P441 HydrophobicContact CE2-CG 4.11Å; P441-W468 HydrophobicContact CB-CE3 4.19Å; P441-W468 HydrophobicContact CB-CH2 3.86Å; P441-W468 HydrophobicContact CB-CZ2 4.37Å; P441-W468 HydrophobicContact CB-CZ3 3.77Å; P441-W468 HydrophobicContact CG-CH2 4.4Å; P441-W468 HydrophobicContact CG-CZ3 4.43Å; P441-F534 CarbonylContact O-C 3.59Å; P441-F534 WeakPolarHBondContact O-CA 3.4Å; P441-Y535 PolarHBondContact O-N 2.97Å; P441-F539 HydrophobicContact CB-CE1 4.18Å; P441-F539 HydrophobicContact CB-CZ 3.6Å; P441-F539 HydrophobicContact CG-CE2 4.44Å; P441-F539 HydrophobicContact CG-CZ 3.72Å
442F91.6Very high77.1Confident0 Ų059 Ų590%030%0.301CS..BIsolated β-bridgetrans-117154.6179.8-70.9-97.7000111.3Q440 Y466 R467 L469 L531 A533 F534Q440-F442 HydrophobicContact CB-CE2 4.03Å; Q440-F442 HydrophobicContact CB-CZ 4.45Å; Q440-F442 VanDerWaalsContact O-CD2 3.3Å; Q440-F442 WeakPolarHBondContact O-CD2 3.43Å; Q440-F442 WeakPolarHBondContact O-CE2 3.2Å; F442-Y466 WeakPolarHBondContact O-CA 3.25Å; F442-R467 HydrophobicContact CB-CG 3.74Å; F442-R467 PolarHBondContact N-O 3.22Å; F442-R467 PolarHBondContact O-N 3.33Å; F442-L469 HydrophobicContact CD1-CD1 4.34Å; F442-L469 HydrophobicContact CD2-CD1 3.51Å; F442-L469 HydrophobicContact CD2-CD2 4.46Å; F442-L469 HydrophobicContact CD2-CG 3.57Å; F442-L469 HydrophobicContact CE1-CD1 4.25Å; F442-L469 HydrophobicContact CE2-CD1 3.4Å; F442-L469 HydrophobicContact CE2-CG 3.86Å; F442-L469 HydrophobicContact CG-CD1 3.98Å; F442-L469 HydrophobicContact CG-CG 4.2Å; F442-L469 HydrophobicContact CZ-CD1 3.78Å; F442-L531 HydrophobicContact CD1-CB 4.26Å; F442-L531 WeakPolarHBondContact CD1-O 3.39Å; F442-L531 HydrophobicContact CE1-CB 3.59Å; F442-L531 HydrophobicContact CZ-CB 3.93Å; F442-L531 HydrophobicContact CZ-CD1 4.25Å; F442-A533 WeakPolarHBondContact CA-O 3.4Å; F442-F534 HydrophobicContact CD1-CD1 4.12Å; F442-F534 HydrophobicContact CD1-CE1 4.49Å; F442-F534 AromaticContact CE1-CD1 3.69Å; F442-F534 HydrophobicContact CE1-CD1 3.69Å; F442-F534 AromaticContact CE1-CE1 3.62Å; F442-F534 HydrophobicContact CE1-CE1 3.62Å; F442-F534 HydrophobicContact CE2-CD1 4.28Å; F442-F534 HydrophobicContact CE2-CE1 4.21Å; F442-F534 AromaticContact CZ-CD1 3.8Å; F442-F534 HydrophobicContact CZ-CD1 3.8Å; F442-F534 AromaticContact CZ-CE1 3.47Å; F442-F534 HydrophobicContact CZ-CE1 3.47Å; F442-F534 VanDerWaalsContact CZ-CE1 3.47Å
443Q91.2Very high74.2Confident102 Ų10265.8 Ų65.848%0.47734%0.337SS..PPolyproline II helixtrans-67.3149.9171-62.2177.92200109.7R445 R467 A533 F534Q443-R445 PolarHBondContact O-N 2.97Å; Q443-R467 VanDerWaalsContact O-CD 3.25Å; Q443-R467 WeakPolarHBondContact O-CD 3.33Å; Q443-R467 PolarHBondContact O-NE 2.94Å; Q443-R467 VanDerWaalsContact O-NE 3.1Å; Q443-A533 HydrophobicContact CG-CB 4.38Å; Q443-A533 PolarHBondContact N-O 3.36Å; Q443-F534 WeakPolarHBondContact CG-O 3.25Å; Q443-F534 PolarHBondContact NE2-O 3.17Å
444L89.1Confident71.1Confident38 Ų3870.1 Ų70.120%0.19937%0.374CS..PPolyproline II helixtrans-58.3131.5171.2-61.3176.3000109.3Q446 R467 Q484L444-Q446 PolarHBondContact O-N 3.29Å; L444-R467 HydrophobicContact CD2-CB 4.32Å; L444-Q484 HydrophobicContact CD2-CG 3.95Å
445R84.6Confident68.1Low94 Ų9476 Ų7636%0.35541%0.41SS..PPolyproline II helixtrans-65.2120.5171.7-69.7-179.5-73.5147.80.8108.8Q443 R467 D482 Q485Q443-R445 PolarHBondContact O-N 2.97Å; R445-R467 VanDerWaalsContact NE-NH1 3.16Å; R445-D482 IonicContact CZ-OD2 3.31Å; R445-D482 VanDerWaalsContact CZ-OD2 3.31Å; R445-D482 IonicContact NE-OD2 3.14Å; R445-D482 PolarHBondContact NE-OD2 2.89Å; R445-D482 VanDerWaalsContact NE-OD2 3.14Å; R445-D482 IonicContact NH2-OD1 3.45Å; R445-D482 PolarHBondContact NH2-OD1 3.21Å; R445-D482 IonicContact NH2-OD2 2.71Å; R445-D482 PolarHBondContact NH2-OD2 2.85Å; R445-Q485 VanDerWaalsContact NH2-CD 3.29Å
446Q71.9Confident65Low161 Ų16182.2 Ų82.275%0.75244%0.443SS*.PPolyproline II helixtrans-77.6123.5168-69.2-173.8-21.200109.1L444L444-Q446 PolarHBondContact O-N 3.29Å
447V59.6Low62.2Low88 Ų8887.5 Ų87.553%0.53347%0.469SS..  trans-87.7106.4170.4-179.60000107.2L449 C458V447-L449 PolarHBondContact O-N 3.21Å; V447-C458 HydrophobicContact CB-CB 4.46Å; V447-C458 HydrophobicContact CG2-CB 3.96Å
448N43.3Very low59.8Low123 Ų12391.1 Ų91.166%0.65850%0.496SS*.  trans-68.596.8176-79.4-8.7000110N450N448-N450 PolarHBondContact O-N 3.35Å
449L39.4Very low58.3Low93 Ų9396.7 Ų96.749%0.48753%0.53SS..  trans-71.666.8172.7-72.2160.2000110.6V447 C451 N456V447-L449 PolarHBondContact O-N 3.21Å; L449-C451 PolarHBondContact O-N 2.81Å; L449-N456 WeakPolarHBondContact CD1-O 3.46Å
450N35.2Very low57.6Low144 Ų14496.7 Ų96.777%0.7753%0.531SS*.  trans-74.96.3174.6-73.813.9000112.9N448N448-N450 PolarHBondContact O-N 3.35Å
451C34.8Very low57.2Low103 Ų10399.4 Ų99.470%0.69655%0.545SS*.SBendtrans-95.7122.7166.7-64.20000108.9L449 N453L449-C451 PolarHBondContact O-N 2.81Å; C451-N453 PolarHBondContact O-N 2.91Å
452Q32.3Very low56.8Low195 Ų195100.6 Ų100.691%0.91155%0.55SS**SBendtrans-7532-169-64.8-179.4-2100115.6
453N33.4Very low56.4Low141 Ų141105.9 Ų105.975%0.75458%0.579SS**  trans-110.494.9170.8-78.5-15.6000109.4C451 T455C451-N453 PolarHBondContact O-N 2.91Å; N453-T455 PolarHBondContact O-N 3.29Å
454A29.9Very low56Low99 Ų99102 Ų10282%0.81856%0.562SS**THydrogen-bonded Turntrans-72.1114177.800000111
455T35.1Very low55.8Low123 Ų123100.8 Ų100.876%0.75556%0.557SS**THydrogen-bonded Turntrans-172.7-41.1160.48.10000111.6N453 Q457N453-T455 PolarHBondContact O-N 3.29Å; T455-Q457 VanDerWaalsContact C-N 3.29Å; T455-Q457 PolarHBondContact O-N 3.35Å
456N33.5Very low56.1Low131 Ų13196.3 Ų96.370%0.70154%0.54SS*.  trans-79.667.8-175.4-74.4-6000113.4L449 C458L449-N456 WeakPolarHBondContact CD1-O 3.46Å; N456-C458 PolarHBondContact O-N 2.57Å
457Q38.1Very low57Low148 Ų14889.1 Ų89.169%0.69251%0.506SS*.  trans-59.8120.9158.9-70.6-175.9-6.600108.8T455 T459T455-Q457 VanDerWaalsContact C-N 3.29Å; T455-Q457 PolarHBondContact O-N 3.35Å; Q457-T459 PolarHBondContact O-N 3.34Å
458C46.8Very low58.6Low96 Ų9685 Ų8565%0.64948%0.48SS*.  trans-74.192178.7-169.80000109.8V447 N456 S460V447-C458 HydrophobicContact CB-CB 4.46Å; V447-C458 HydrophobicContact CG2-CB 3.96Å; N456-C458 PolarHBondContact O-N 2.57Å; C458-S460 PolarHBondContact O-N 2.85Å
459T62.4Low61.1Low118 Ų11879.1 Ų79.172%0.72445%0.449SS*.  trans-63.4127.4-179.251.70000111.2Q457 L461Q457-T459 PolarHBondContact O-N 3.34Å; T459-L461 PolarHBondContact O-N 3.11Å
460S75.8Confident63.9Low28 Ų2874.9 Ų74.920%0.19643%0.427CS..  trans-64.5130.6173-178.30000110.6C458 F462 T483C458-S460 PolarHBondContact O-N 2.85Å; S460-F462 VanDerWaalsContact CB-O 3.29Å; S460-F462 WeakPolarHBondContact CB-O 3.47Å; S460-F462 PolarHBondContact O-N 2.65Å; S460-F462 VanDerWaalsContact O-N 3.08Å; S460-F462 PolarHBondContact OG-O 3.17Å; S460-T483 PolarHBondContact OG-O 3.39Å
461L81.3Confident66.8Low63 Ų6368 Ų6833%0.3339%0.39SS..SBendtrans-48.7-35.3177.4-179.463.1000113.3V423 T459 Q484 T486V423-L461 HydrophobicContact CG2-CD1 3.94Å; V423-L461 HydrophobicContact CG2-CD2 4.21Å; V423-L461 HydrophobicContact CG2-CG 4.32Å; T459-L461 PolarHBondContact O-N 3.11Å; L461-Q484 VanDerWaalsContact CB-O 3.31Å; L461-Q484 WeakPolarHBondContact CB-O 3.28Å; L461-Q484 PolarHBondContact N-O 3.09Å; L461-T486 HydrophobicContact CD1-CG2 3.82Å; L461-T486 HydrophobicContact CD2-CG2 3.71Å; L461-T486 HydrophobicContact CG-CG2 4.4Å
462F84.3Confident69.8Low24 Ų2463.1 Ų63.111%0.10536%0.357CS..SBendtrans-117.6134167.7-62.7-81.2000110.3L362 I412 V414 V422 V423 S460 L464 T483L362-F462 HydrophobicContact CD1-CD2 4.23Å; L362-F462 HydrophobicContact CD1-CE2 4Å; L362-F462 HydrophobicContact CD1-CZ 4.16Å; L362-F462 HydrophobicContact CD2-CD1 3.94Å; L362-F462 HydrophobicContact CD2-CE1 3.51Å; L362-F462 HydrophobicContact CD2-CE2 4.41Å; L362-F462 HydrophobicContact CD2-CZ 3.78Å; I412-F462 HydrophobicContact CD1-CE2 4.48Å; I412-F462 HydrophobicContact CG2-CZ 3.97Å; V414-F462 HydrophobicContact CG1-CE1 4.03Å; V422-F462 HydrophobicContact CG1-CE1 3.94Å; V422-F462 HydrophobicContact CG1-CZ 3.92Å; V423-F462 HydrophobicContact CG2-CZ 4.46Å; S460-F462 VanDerWaalsContact CB-O 3.29Å; S460-F462 WeakPolarHBondContact CB-O 3.47Å; S460-F462 PolarHBondContact O-N 2.65Å; S460-F462 VanDerWaalsContact O-N 3.08Å; S460-F462 PolarHBondContact OG-O 3.17Å; F462-L464 HydrophobicContact CB-CD1 4.07Å; F462-L464 HydrophobicContact CB-CG 4.06Å; F462-L464 PolarHBondContact O-N 2.74Å; F462-T483 HydrophobicContact CD2-CG2 4.41Å; F462-T483 PolarHBondContact N-O 2.93Å
463N83.2Confident72.9Confident112 Ų11253.8 Ų53.860%0.59931%0.314SS*.  trans-7872.1177.1-174.710.9000111.3N543N463-N543 VanDerWaalsContact OD1-CB 3.3Å; N463-N543 WeakPolarHBondContact OD1-CB 3.24Å; N463-N543 PolarHBondContact OD1-N 3.23Å
464L82.7Confident75.8Confident21 Ų2147.3 Ų47.311%0.1128%0.279CS..  trans-116.8148176.4-57.5175.1000108.7L361 F462 Y466L361-L464 HydrophobicContact CD1-CD2 3.78Å; F462-L464 HydrophobicContact CB-CD1 4.07Å; F462-L464 HydrophobicContact CB-CG 4.06Å; F462-L464 PolarHBondContact O-N 2.74Å; L464-Y466 HydrophobicContact CB-CD2 4.4Å; L464-Y466 HydrophobicContact CB-CE1 4.31Å; L464-Y466 HydrophobicContact CB-CE2 4.2Å; L464-Y466 WeakPolarHBondContact CB-O 3.31Å; L464-Y466 HydrophobicContact CD1-CE2 3.92Å; L464-Y466 HydrophobicContact CG-CE2 4.48Å; L464-Y466 PolarHBondContact O-N 3.02Å; L464-Y466 VanDerWaalsContact O-N 3.12Å
465A85Confident78.7Confident12 Ų1246.4 Ų46.410%0.09926%0.258CS..SBendtrans-71.83.1174.600000114.3Y535A465-Y535 HydrophobicContact CB-CE2 4.33Å; A465-Y535 WeakPolarHBondContact O-CE2 3.49Å
466Y89.5Confident81.3Confident0 Ų043.7 Ų43.70%024%0.238CC..SBendtrans-150.1166.3-172.951.4-89.5000109.6D359 F442 L464 W468 Y535 F539D359-Y466 PolarHBondContact OD2-OH 3.19Å; F442-Y466 WeakPolarHBondContact O-CA 3.25Å; L464-Y466 HydrophobicContact CB-CD2 4.4Å; L464-Y466 HydrophobicContact CB-CE1 4.31Å; L464-Y466 HydrophobicContact CB-CE2 4.2Å; L464-Y466 WeakPolarHBondContact CB-O 3.31Å; L464-Y466 HydrophobicContact CD1-CE2 3.92Å; L464-Y466 HydrophobicContact CG-CE2 4.48Å; L464-Y466 PolarHBondContact O-N 3.02Å; L464-Y466 VanDerWaalsContact O-N 3.12Å; Y466-W468 AromaticContact CE2-NE1 3.56Å; Y466-Y535 HydrophobicContact CD1-CD1 4.14Å; Y466-Y535 AromaticContact CD1-CE1 3.7Å; Y466-Y535 HydrophobicContact CD1-CE1 3.7Å; Y466-Y535 AromaticContact CD1-CZ 3.96Å; Y466-Y535 HydrophobicContact CG-CD1 4.16Å; Y466-Y535 HydrophobicContact CG-CE1 4.19Å; Y466-F539 HydrophobicContact CD1-CD1 4.32Å; Y466-F539 HydrophobicContact CD1-CE1 4.12Å; Y466-F539 HydrophobicContact CD1-CZ 4.49Å; Y466-F539 HydrophobicContact CD2-CD1 4.39Å; Y466-F539 AromaticContact CD2-CE1 3.76Å; Y466-F539 HydrophobicContact CD2-CE1 3.76Å; Y466-F539 HydrophobicContact CD2-CZ 4.44Å; Y466-F539 AromaticContact CE1-CD1 3.73Å; Y466-F539 HydrophobicContact CE1-CD1 3.73Å; Y466-F539 AromaticContact CE1-CE1 3.95Å; Y466-F539 HydrophobicContact CE1-CE1 3.95Å; Y466-F539 HydrophobicContact CE1-CG 4.28Å; Y466-F539 AromaticContact CE2-CD1 3.78Å; Y466-F539 HydrophobicContact CE2-CD1 3.78Å; Y466-F539 AromaticContact CE2-CE1 3.55Å; Y466-F539 HydrophobicContact CE2-CE1 3.55Å; Y466-F539 HydrophobicContact CG-CE1 4.05Å; Y466-F539 HydrophobicContact CG-CZ 4.4Å; Y466-F539 AromaticContact CZ-CD1 3.43Å; Y466-F539 VanDerWaalsContact CZ-CD1 3.43Å; Y466-F539 AromaticContact CZ-CE1 3.67Å
467R91.6Very high84.1Confident9 Ų937.6 Ų37.63%0.03421%0.206CC..BIsolated β-bridgetrans-118.8140.9170.273.5-165.1-175115.24.7111.2F442 Q443 L444 R445 L469 D482 T483 Q484 L531F442-R467 HydrophobicContact CB-CG 3.74Å; F442-R467 PolarHBondContact N-O 3.22Å; F442-R467 PolarHBondContact O-N 3.33Å; Q443-R467 VanDerWaalsContact O-CD 3.25Å; Q443-R467 WeakPolarHBondContact O-CD 3.33Å; Q443-R467 PolarHBondContact O-NE 2.94Å; Q443-R467 VanDerWaalsContact O-NE 3.1Å; L444-R467 HydrophobicContact CD2-CB 4.32Å; R445-R467 VanDerWaalsContact NE-NH1 3.16Å; R467-L469 HydrophobicContact CG-CD2 4.29Å; R467-D482 WeakPolarHBondContact CD-OD2 3.45Å; R467-D482 IonicContact CZ-OD2 3.69Å; R467-D482 IonicContact NE-OD2 3.97Å; R467-D482 IonicContact NH1-OD2 2.68Å; R467-D482 PolarHBondContact NH1-OD2 3.25Å; R467-T483 VanDerWaalsContact CA-OG1 3.31Å; R467-T483 WeakPolarHBondContact CA-OG1 3.49Å; R467-Q484 HydrophobicContact CB-CG 3.96Å; R467-L531 PolarHBondContact NH2-O 3.2Å
468W93.9Very high86.9Confident1 Ų130.6 Ų30.60%0.00417%0.173CC..  trans-89.9149.7161.6-67.9112.1000109.9F49 P358 D359 F437 P441 Y466 D482 T483 F539F49-W468 HydrophobicContact CE2-CH2 4.15Å; P358-W468 HydrophobicContact CB-CH2 3.59Å; P358-W468 HydrophobicContact CB-CZ2 3.87Å; P358-W468 HydrophobicContact CB-CZ3 3.95Å; P358-W468 HydrophobicContact CG-CD2 4.24Å; P358-W468 HydrophobicContact CG-CE3 3.88Å; P358-W468 HydrophobicContact CG-CH2 3.85Å; P358-W468 HydrophobicContact CG-CZ2 4.19Å; P358-W468 HydrophobicContact CG-CZ3 3.66Å; D359-W468 HydrophobicContact CB-CZ2 4.21Å; D359-W468 VanDerWaalsContact CG-NE1 3.28Å; D359-W468 PolarHBondContact OD2-NE1 3.06Å; F437-W468 HydrophobicContact CD1-CB 3.87Å; F437-W468 HydrophobicContact CD1-CG 4.42Å; F437-W468 HydrophobicContact CE1-CB 3.93Å; P441-W468 HydrophobicContact CB-CE3 4.19Å; P441-W468 HydrophobicContact CB-CH2 3.86Å; P441-W468 HydrophobicContact CB-CZ2 4.37Å; P441-W468 HydrophobicContact CB-CZ3 3.77Å; P441-W468 HydrophobicContact CG-CH2 4.4Å; P441-W468 HydrophobicContact CG-CZ3 4.43Å; Y466-W468 AromaticContact CE2-NE1 3.56Å; W468-D482 CarbonylContact O-C 3.41Å; W468-D482 WeakPolarHBondContact O-CA 3.44Å; W468-D482 WeakPolarHBondContact O-CB 3.42Å; W468-T483 HydrophobicContact CB-CG2 3.92Å; W468-T483 PolarHBondContact N-OG1 3.41Å; W468-T483 PolarHBondContact O-N 3.08Å; W468-T483 VanDerWaalsContact O-N 3.09Å; W468-F539 HydrophobicContact CH2-CE1 4.09Å; W468-F539 HydrophobicContact CH2-CZ 4.44Å; W468-F539 HydrophobicContact CZ2-CD1 4.25Å; W468-F539 AromaticContact CZ2-CE1 3.49Å; W468-F539 HydrophobicContact CZ2-CE1 3.49Å; W468-F539 VanDerWaalsContact CZ2-CE1 3.49Å; W468-F539 HydrophobicContact CZ2-CZ 4.26Å
469L95.8Very high89.2Confident0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-106.6144.7167.4-48.8-177000108.5C438 F442 R467 Y481 D482 F489 L531C438-L469 HydrophobicContact CB-CB 4.01Å; C438-L469 WeakPolarHBondContact CB-O 3.35Å; C438-L469 PolarHBondContact N-O 2.81Å; F442-L469 HydrophobicContact CD1-CD1 4.34Å; F442-L469 HydrophobicContact CD2-CD1 3.51Å; F442-L469 HydrophobicContact CD2-CD2 4.46Å; F442-L469 HydrophobicContact CD2-CG 3.57Å; F442-L469 HydrophobicContact CE1-CD1 4.25Å; F442-L469 HydrophobicContact CE2-CD1 3.4Å; F442-L469 HydrophobicContact CE2-CG 3.86Å; F442-L469 HydrophobicContact CG-CD1 3.98Å; F442-L469 HydrophobicContact CG-CG 4.2Å; F442-L469 HydrophobicContact CZ-CD1 3.78Å; R467-L469 HydrophobicContact CG-CD2 4.29Å; L469-Y481 WeakPolarHBondContact CA-O 3.37Å; L469-D482 HydrophobicContact CD2-CB 3.54Å; L469-F489 HydrophobicContact CD1-CZ 4.48Å; L469-F489 HydrophobicContact CD2-CE1 4.03Å; L469-F489 HydrophobicContact CD2-CZ 4.37Å; L469-L531 HydrophobicContact CD1-CB 3.86Å; L469-L531 HydrophobicContact CD1-CD1 3.81Å; L469-L531 HydrophobicContact CD1-CD2 4.16Å; L469-L531 HydrophobicContact CD1-CG 4.16Å
470F97.1Very high90.8Very high4 Ų421 Ų212%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-147.1158.4173.656.9-78.7000110.6I412 L425 V435 R436 F437 L472 Y481 T483I412-F470 HydrophobicContact CD1-CZ 4.34Å; L425-F470 HydrophobicContact CD1-CE2 3.77Å; L425-F470 HydrophobicContact CD1-CZ 3.88Å; V435-F470 HydrophobicContact CG1-CD2 4.19Å; R436-F470 CarbonylContact O-C 3.57Å; R436-F470 WeakPolarHBondContact O-CA 3.45Å; R436-F470 WeakPolarHBondContact O-CB 3.2Å; F437-F470 HydrophobicContact CD1-CB 3.68Å; F437-F470 HydrophobicContact CD1-CD1 4.18Å; F437-F470 HydrophobicContact CD1-CG 4.27Å; F437-F470 HydrophobicContact CE1-CB 3.88Å; F437-F470 AromaticContact CE1-CD1 3.63Å; F437-F470 HydrophobicContact CE1-CD1 3.63Å; F437-F470 HydrophobicContact CE1-CE1 4.43Å; F437-F470 AromaticContact CE1-CG 3.96Å; F437-F470 HydrophobicContact CE1-CG 3.96Å; F437-F470 HydrophobicContact CG-CB 4.02Å; F437-F470 HydrophobicContact CZ-CB 4.38Å; F437-F470 HydrophobicContact CZ-CD1 4.22Å; F437-F470 HydrophobicContact CZ-CG 4.31Å; F470-L472 HydrophobicContact CD2-CD2 4.09Å; F470-L472 HydrophobicContact CE2-CD2 4.08Å; F470-Y481 HydrophobicContact CE2-CD2 4.35Å; F470-Y481 HydrophobicContact CE2-CG 4.09Å; F470-Y481 HydrophobicContact CZ-CG 4.16Å; F470-Y481 PolarHBondContact N-O 3.08Å; F470-Y481 PolarHBondContact O-N 2.93Å; F470-T483 HydrophobicContact CE1-CG2 4.3Å
471C97Very high91.7Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-115.5138.4169.863.30000111.2V435 R436 V478 L479 F480 W505V435-C471 WeakPolarHBondContact CA-O 3.4Å; R436-C471 PolarHBondContact N-O 2.89Å; R436-C471 PolarHBondContact O-N 3.05Å; C471-V478 HydrophobicContact CB-CG1 3.59Å; C471-L479 CarbonylContact C-O 3.53Å; C471-L479 VanDerWaalsContact CA-O 3.23Å; C471-L479 WeakPolarHBondContact CA-O 3.46Å; C471-F480 HydrophobicContact CB-CD1 3.88Å; C471-F480 HydrophobicContact CB-CE1 3.84Å; C471-F480 HydrophobicContact CB-CG 4.49Å; C471-F480 HydrophobicContact CB-CZ 4.42Å; C471-W505 HydrophobicContact CB-CZ2 4.3Å; C471-W505 PolarHBondContact SG-NE1 2.61Å; C471-W505 VanDerWaalsContact SG-NE1 3.38Å
472L97.2Very high92.3Very high0 Ų016.9 Ų16.90%09%0.087CC..EExtended strand (participates in β ladder)trans-90.8124162.7-51.2-176.1000107.2A410 L425 T427 V432 V435 F470 L474 V478 L479 Y481A410-L472 HydrophobicContact CB-CD1 3.87Å; A410-L472 HydrophobicContact CB-CD2 3.77Å; A410-L472 HydrophobicContact CB-CG 4.5Å; L425-L472 HydrophobicContact CB-CD1 4.4Å; L425-L472 HydrophobicContact CD1-CD1 4.27Å; T427-L472 HydrophobicContact CG2-CD1 3.99Å; V432-L472 HydrophobicContact CG1-CB 3.99Å; V432-L472 HydrophobicContact CG1-CD2 4.43Å; V432-L472 HydrophobicContact CG2-CB 4.44Å; V432-L472 HydrophobicContact CG2-CD1 4.31Å; V435-L472 HydrophobicContact CB-CD2 4.34Å; V435-L472 HydrophobicContact CG1-CD2 3.86Å; V435-L472 HydrophobicContact CG2-CD2 3.66Å; F470-L472 HydrophobicContact CD2-CD2 4.09Å; F470-L472 HydrophobicContact CE2-CD2 4.08Å; L472-L474 HydrophobicContact CB-CD1 3.71Å; L472-L474 WeakPolarHBondContact O-CD1 3.26Å; L472-V478 WeakPolarHBondContact O-CA 3.3Å; L472-L479 HydrophobicContact CB-CB 4.45Å; L472-L479 PolarHBondContact N-O 3.41Å; L472-L479 PolarHBondContact O-N 3.05Å; L472-Y481 HydrophobicContact CD1-CD2 4Å; L472-Y481 HydrophobicContact CD1-CE2 3.44Å; L472-Y481 VanDerWaalsContact CD1-CE2 3.44Å; L472-Y481 HydrophobicContact CG-CD2 3.93Å; L472-Y481 HydrophobicContact CG-CE2 3.84Å
473V96.6Very high92.7Very high0 Ų015.8 Ų15.80%08%0.083CC..EExtended strand (participates in β ladder)trans-90.1112170.6-175.90000107.1V433 A434 L500 A503V433-V473 PolarHBondContact N-O 3.23Å; A434-V473 HydrophobicContact CB-CB 4.08Å; A434-V473 HydrophobicContact CB-CG2 4.21Å; A434-V473 PolarHBondContact N-O 3.46Å; A434-V473 PolarHBondContact O-N 2.95Å; V473-L500 HydrophobicContact CG1-CB 3.59Å; V473-L500 HydrophobicContact CG1-CD1 4.4Å; V473-A503 HydrophobicContact CG2-CB 3.65Å
474L94.6Very high93Very high4 Ų411.7 Ų11.72%0.0216%0.06CC..EExtended strand (participates in β ladder)trans-97.9166.4173.1-65.961.5000108.1T427 K430 P431 V432 L472 D476 S477 L479T427-L474 HydrophobicContact CG2-CD1 4.4Å; T427-L474 HydrophobicContact CG2-CD2 4.19Å; T427-L474 HydrophobicContact CG2-CG 4.42Å; K430-L474 HydrophobicContact CB-CB 4.47Å; K430-L474 HydrophobicContact CB-CD2 3.99Å; P431-L474 VanDerWaalsContact O-CA 3.31Å; P431-L474 WeakPolarHBondContact O-CA 3.41Å; V432-L474 HydrophobicContact CG2-CD1 4.35Å; V432-L474 HydrophobicContact CG2-CG 4.38Å; L472-L474 HydrophobicContact CB-CD1 3.71Å; L472-L474 WeakPolarHBondContact O-CD1 3.26Å; L474-D476 VanDerWaalsContact C-N 3.27Å; L474-D476 PolarHBondContact O-N 3.27Å; L474-S477 CarbonylContact C-O 3.51Å; L474-S477 WeakPolarHBondContact CA-O 3.38Å; L474-S477 WeakPolarHBondContact CB-O 3.39Å; L474-S477 PolarHBondContact N-O 3.48Å; L474-L479 HydrophobicContact CD1-CB 4.31Å; L474-L479 HydrophobicContact CD1-CD1 3.97Å; L474-L479 HydrophobicContact CD1-CG 3.9Å; L474-L479 HydrophobicContact CD2-CD1 3.87Å; L474-L479 HydrophobicContact CD2-CG 4.17Å
475E90.6Very high93.2Very high80 Ų8012.3 Ų12.337%0.3746%0.062SC..SBendtrans-51.1-39.9179.9-171-171.3-161.900114.1K430 P431 A499 L500K430-E475 HydrophobicContact CD-CB 4.19Å; K430-E475 IonicContact NZ-OE2 2.64Å; K430-E475 PolarHBondContact NZ-OE2 2.74Å; P431-E475 PolarHBondContact O-N 3.13Å; E475-A499 HydrophobicContact CG-CB 3.99Å; E475-A499 CarbonylContact O-C 3.59Å; E475-A499 VanDerWaalsContact O-CA 3.24Å; E475-A499 WeakPolarHBondContact O-CA 3.48Å; E475-L500 PolarHBondContact O-N 3.31Å
476D90.2Very high93.3Very high66 Ų6615.2 Ų15.235%0.3538%0.079SC..SBendtrans-119.6-0-173.363.27.4000115K430 L474 Q494K430-D476 HydrophobicContact CD-CB 4.49Å; K430-D476 VanDerWaalsContact CD-OD2 3.25Å; K430-D476 WeakPolarHBondContact CD-OD2 3.21Å; K430-D476 WeakPolarHBondContact CE-OD2 3.39Å; K430-D476 IonicContact NZ-OD2 3.58Å; K430-D476 PolarHBondContact NZ-OD2 2.61Å; L474-D476 VanDerWaalsContact C-N 3.27Å; L474-D476 PolarHBondContact O-N 3.27Å; D476-Q494 PolarHBondContact O-N 2.88Å
477S93.7Very high93.3Very high4 Ų418.4 Ų18.43%0.02810%0.098CC..EExtended strand (participates in β ladder)trans-163.5162.7-165.654.80000113.2L474 V492L474-S477 CarbonylContact C-O 3.51Å; L474-S477 WeakPolarHBondContact CA-O 3.38Å; L474-S477 WeakPolarHBondContact CB-O 3.39Å; L474-S477 PolarHBondContact N-O 3.48Å; S477-V492 CarbonylContact C-O 3.49Å; S477-V492 VanDerWaalsContact CA-O 3.23Å; S477-V492 WeakPolarHBondContact CA-O 3.43Å; S477-V492 VanDerWaalsContact CB-O 3.27Å; S477-V492 WeakPolarHBondContact CB-O 3.46Å
478V95.5Very high93.3Very high0 Ų018.8 Ų18.80%010%0.102CC..EExtended strand (participates in β ladder)trans-124.4126.2175.6-178.90000109.1C471 L472 F480 Q491 V492 L500 I514C471-V478 HydrophobicContact CB-CG1 3.59Å; L472-V478 WeakPolarHBondContact O-CA 3.3Å; V478-F480 HydrophobicContact CB-CE2 4.27Å; V478-F480 HydrophobicContact CG1-CD2 4.36Å; V478-F480 HydrophobicContact CG1-CE1 4.43Å; V478-F480 HydrophobicContact CG1-CE2 3.75Å; V478-F480 HydrophobicContact CG1-CZ 3.78Å; V478-Q491 WeakPolarHBondContact O-CA 3.42Å; V478-V492 PolarHBondContact N-O 2.91Å; V478-V492 PolarHBondContact O-N 2.77Å; V478-L500 HydrophobicContact CG2-CD1 3.7Å; V478-I514 HydrophobicContact CB-CD1 4.3Å; V478-I514 HydrophobicContact CG2-CD1 3.56Å; V478-I514 HydrophobicContact CG2-CG1 4.13Å
479L95.7Very high93.2Very high12 Ų1220.2 Ų20.26%0.06311%0.108CC..EExtended strand (participates in β ladder)trans-105.4129.6177.4-63.5179.5000109.9T427 C471 L472 L474 Y481 P488 Q491T427-L479 HydrophobicContact CG2-CD1 3.98Å; C471-L479 CarbonylContact C-O 3.53Å; C471-L479 VanDerWaalsContact CA-O 3.23Å; C471-L479 WeakPolarHBondContact CA-O 3.46Å; L472-L479 HydrophobicContact CB-CB 4.45Å; L472-L479 PolarHBondContact N-O 3.41Å; L472-L479 PolarHBondContact O-N 3.05Å; L474-L479 HydrophobicContact CD1-CB 4.31Å; L474-L479 HydrophobicContact CD1-CD1 3.97Å; L474-L479 HydrophobicContact CD1-CG 3.9Å; L474-L479 HydrophobicContact CD2-CD1 3.87Å; L474-L479 HydrophobicContact CD2-CG 4.17Å; L479-Y481 HydrophobicContact CB-CD2 4.16Å; L479-Y481 HydrophobicContact CB-CE2 3.61Å; L479-Y481 HydrophobicContact CD1-CE2 4.12Å; L479-P488 HydrophobicContact CB-CB 4.17Å; L479-P488 HydrophobicContact CD2-CB 4.32Å; L479-P488 HydrophobicContact CD2-CG 4.24Å; L479-Q491 HydrophobicContact CD2-CB 3.69Å; L479-Q491 HydrophobicContact CD2-CG 3.57Å
480F95.9Very high93Very high0 Ų020.8 Ų20.80%011%0.113CC..EExtended strand (participates in β ladder)trans-103125.4179.7-65.4-92.3000110.7M1 C471 V478 P488 F489 A490 V492 W505 V512 I524 F526M1-F480 HydrophobicContact CE-CE2 4.05Å; M1-F480 HydrophobicContact CE-CZ 4.34Å; C471-F480 HydrophobicContact CB-CD1 3.88Å; C471-F480 HydrophobicContact CB-CE1 3.84Å; C471-F480 HydrophobicContact CB-CG 4.49Å; C471-F480 HydrophobicContact CB-CZ 4.42Å; V478-F480 HydrophobicContact CB-CE2 4.27Å; V478-F480 HydrophobicContact CG1-CD2 4.36Å; V478-F480 HydrophobicContact CG1-CE1 4.43Å; V478-F480 HydrophobicContact CG1-CE2 3.75Å; V478-F480 HydrophobicContact CG1-CZ 3.78Å; F480-P488 CarbonylContact O-C 3.44Å; F480-P488 VanDerWaalsContact O-CA 3.22Å; F480-P488 WeakPolarHBondContact O-CA 3.45Å; F480-P488 WeakPolarHBondContact O-CB 3.28Å; F480-F489 HydrophobicContact CB-CD2 4.3Å; F480-F489 HydrophobicContact CB-CE1 4.09Å; F480-F489 HydrophobicContact CB-CE2 3.8Å; F480-F489 HydrophobicContact CB-CZ 3.69Å; F480-F489 WeakPolarHBondContact O-CD1 3.3Å; F480-F489 PolarHBondContact O-N 3.24Å; F480-A490 HydrophobicContact CB-CB 4.23Å; F480-A490 HydrophobicContact CD2-CB 4.25Å; F480-A490 PolarHBondContact N-O 3.01Å; F480-V492 HydrophobicContact CE2-CG2 4.11Å; F480-W505 AromaticContact CD1-CH2 3.89Å; F480-W505 HydrophobicContact CD1-CH2 3.89Å; F480-W505 AromaticContact CD1-CZ2 3.78Å; F480-W505 HydrophobicContact CD1-CZ2 3.78Å; F480-W505 AromaticContact CE1-CH2 3.9Å; F480-W505 HydrophobicContact CE1-CH2 3.9Å; F480-W505 AromaticContact CE1-CZ2 3.74Å; F480-W505 HydrophobicContact CE1-CZ2 3.74Å; F480-V512 HydrophobicContact CE1-CG2 4.31Å; F480-I524 HydrophobicContact CE2-CD1 4.34Å; F480-I524 HydrophobicContact CZ-CD1 4.05Å; F480-I524 HydrophobicContact CZ-CG2 4.42Å; F480-F526 AromaticContact CD1-CZ 3.94Å; F480-F526 HydrophobicContact CD1-CZ 3.94Å; F480-F526 AromaticContact CE1-CE2 3.99Å; F480-F526 HydrophobicContact CE1-CE2 3.99Å; F480-F526 AromaticContact CE1-CZ 3.67Å; F480-F526 HydrophobicContact CE1-CZ 3.67Å; F480-F526 HydrophobicContact CE2-CZ 4.46Å; F480-F526 HydrophobicContact CG-CZ 4.45Å; F480-F526 HydrophobicContact CZ-CE2 4.43Å; F480-F526 AromaticContact CZ-CZ 3.95Å; F480-F526 HydrophobicContact CZ-CZ 3.95Å
481Y95.3Very high92.8Very high4 Ų423.4 Ų23.42%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-124.7159-177.8-73.7-97.6000110.9L425 L469 F470 L472 L479 P488 F489L425-Y481 HydrophobicContact CB-CE1 4.34Å; L425-Y481 HydrophobicContact CD1-CD1 3.84Å; L425-Y481 HydrophobicContact CD1-CD2 4.38Å; L425-Y481 HydrophobicContact CD1-CE1 3.86Å; L425-Y481 HydrophobicContact CD1-CE2 4.39Å; L425-Y481 HydrophobicContact CD1-CG 4.09Å; L425-Y481 HydrophobicContact CD2-CD1 4.21Å; L425-Y481 HydrophobicContact CD2-CE1 3.89Å; L425-Y481 HydrophobicContact CG-CE1 4.25Å; L469-Y481 WeakPolarHBondContact CA-O 3.37Å; F470-Y481 HydrophobicContact CE2-CD2 4.35Å; F470-Y481 HydrophobicContact CE2-CG 4.09Å; F470-Y481 HydrophobicContact CZ-CG 4.16Å; F470-Y481 PolarHBondContact N-O 3.08Å; F470-Y481 PolarHBondContact O-N 2.93Å; L472-Y481 HydrophobicContact CD1-CD2 4Å; L472-Y481 HydrophobicContact CD1-CE2 3.44Å; L472-Y481 VanDerWaalsContact CD1-CE2 3.44Å; L472-Y481 HydrophobicContact CG-CD2 3.93Å; L472-Y481 HydrophobicContact CG-CE2 3.84Å; L479-Y481 HydrophobicContact CB-CD2 4.16Å; L479-Y481 HydrophobicContact CB-CE2 3.61Å; L479-Y481 HydrophobicContact CD1-CE2 4.12Å; Y481-P488 HydrophobicContact CD1-CB 4.36Å; Y481-P488 HydrophobicContact CD2-CB 4.12Å; Y481-P488 HydrophobicContact CE1-CB 4.04Å; Y481-P488 HydrophobicContact CE1-CG 4.25Å; Y481-P488 VanDerWaalsContact CE1-N 3.34Å; Y481-P488 HydrophobicContact CE2-CB 3.78Å; Y481-P488 HydrophobicContact CE2-CG 4.31Å; Y481-P488 HydrophobicContact CG-CB 4.41Å; Y481-F489 VanDerWaalsContact C-CE1 3.46Å; Y481-F489 WeakPolarHBondContact O-CE1 3.46Å
482D92.8Very high92.6Very high1 Ų123.6 Ų23.61%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-122.9172.9165.278.36.5000111.4R445 R467 W468 L469 Q484 Q485 F489R445-D482 IonicContact CZ-OD2 3.31Å; R445-D482 VanDerWaalsContact CZ-OD2 3.31Å; R445-D482 IonicContact NE-OD2 3.14Å; R445-D482 PolarHBondContact NE-OD2 2.89Å; R445-D482 VanDerWaalsContact NE-OD2 3.14Å; R445-D482 IonicContact NH2-OD1 3.45Å; R445-D482 PolarHBondContact NH2-OD1 3.21Å; R445-D482 IonicContact NH2-OD2 2.71Å; R445-D482 PolarHBondContact NH2-OD2 2.85Å; R467-D482 WeakPolarHBondContact CD-OD2 3.45Å; R467-D482 IonicContact CZ-OD2 3.69Å; R467-D482 IonicContact NE-OD2 3.97Å; R467-D482 IonicContact NH1-OD2 2.68Å; R467-D482 PolarHBondContact NH1-OD2 3.25Å; W468-D482 CarbonylContact O-C 3.41Å; W468-D482 WeakPolarHBondContact O-CA 3.44Å; W468-D482 WeakPolarHBondContact O-CB 3.42Å; L469-D482 HydrophobicContact CD2-CB 3.54Å; D482-Q484 PolarHBondContact O-N 2.68Å; D482-Q484 WeakPolarHBondContact OD1-CA 3.41Å; D482-Q484 WeakPolarHBondContact OD1-CB 3.04Å; D482-Q484 PolarHBondContact OD1-N 2.73Å; D482-Q485 WeakPolarHBondContact OD1-CG 3.48Å; D482-Q485 PolarHBondContact OD1-N 3.04Å; D482-F489 HydrophobicContact CB-CD1 4.39Å; D482-F489 HydrophobicContact CB-CE1 4.29Å
483T92.3Very high92.3Very high2 Ų225.1 Ų25.11%0.01214%0.137CC..SBendtrans-8414.1176.457.90000114.1L362 S460 F462 R467 W468 F470L362-T483 HydrophobicContact CD1-CG2 3.83Å; S460-T483 PolarHBondContact OG-O 3.39Å; F462-T483 HydrophobicContact CD2-CG2 4.41Å; F462-T483 PolarHBondContact N-O 2.93Å; R467-T483 VanDerWaalsContact CA-OG1 3.31Å; R467-T483 WeakPolarHBondContact CA-OG1 3.49Å; W468-T483 HydrophobicContact CB-CG2 3.92Å; W468-T483 PolarHBondContact N-OG1 3.41Å; W468-T483 PolarHBondContact O-N 3.08Å; W468-T483 VanDerWaalsContact O-N 3.09Å; F470-T483 HydrophobicContact CE1-CG2 4.3Å
484Q89.6Confident91.8Very high26 Ų2631.1 Ų31.112%0.12117%0.165CC..SBendtrans-100.1-33.7173.4-60.3-171.2-9800112.9L444 L461 R467 D482L444-Q484 HydrophobicContact CD2-CG 3.95Å; L461-Q484 VanDerWaalsContact CB-O 3.31Å; L461-Q484 WeakPolarHBondContact CB-O 3.28Å; L461-Q484 PolarHBondContact N-O 3.09Å; R467-Q484 HydrophobicContact CB-CG 3.96Å; D482-Q484 PolarHBondContact O-N 2.68Å; D482-Q484 WeakPolarHBondContact OD1-CA 3.41Å; D482-Q484 WeakPolarHBondContact OD1-CB 3.04Å; D482-Q484 PolarHBondContact OD1-N 2.73Å
485Q87.7Confident91.4Very high33 Ų3332.1 Ų32.115%0.15417%0.17CC..  trans-130.2152.1-173.667.3179.953.500113.7R445 D482 V487R445-Q485 VanDerWaalsContact NH2-CD 3.29Å; D482-Q485 WeakPolarHBondContact OD1-CG 3.48Å; D482-Q485 PolarHBondContact OD1-N 3.04Å; Q485-V487 VanDerWaalsContact C-N 3.33Å; Q485-V487 WeakPolarHBondContact CG-O 3.46Å; Q485-V487 PolarHBondContact NE2-O 3.45Å
486T87.8Confident91.4Very high73 Ų7329.5 Ų29.545%0.44816%0.158SC..SBendtrans-85-1.6177.549.30000114.5V423 L461V423-T486 HydrophobicContact CG1-CG2 4.23Å; L461-T486 HydrophobicContact CD1-CG2 3.82Å; L461-T486 HydrophobicContact CD2-CG2 3.71Å; L461-T486 HydrophobicContact CG-CG2 4.4Å
487V88.4Confident91.3Very high67 Ų6736.4 Ų36.441%0.40618%0.181SC..SBendtrans-107.5140.9-177.3-178.70000108.8Q485Q485-V487 VanDerWaalsContact C-N 3.33Å; Q485-V487 WeakPolarHBondContact CG-O 3.46Å; Q485-V487 PolarHBondContact NE2-O 3.45Å
488P92Very high91.2Very high18 Ų1841.1 Ų41.112%0.11720%0.202CC..  trans-66.4137.2174.323.1-27000110.8L479 F480 Y481 L637L479-P488 HydrophobicContact CB-CB 4.17Å; L479-P488 HydrophobicContact CD2-CB 4.32Å; L479-P488 HydrophobicContact CD2-CG 4.24Å; F480-P488 CarbonylContact O-C 3.44Å; F480-P488 VanDerWaalsContact O-CA 3.22Å; F480-P488 WeakPolarHBondContact O-CA 3.45Å; F480-P488 WeakPolarHBondContact O-CB 3.28Å; Y481-P488 HydrophobicContact CD1-CB 4.36Å; Y481-P488 HydrophobicContact CD2-CB 4.12Å; Y481-P488 HydrophobicContact CE1-CB 4.04Å; Y481-P488 HydrophobicContact CE1-CG 4.25Å; Y481-P488 VanDerWaalsContact CE1-N 3.34Å; Y481-P488 HydrophobicContact CE2-CB 3.78Å; Y481-P488 HydrophobicContact CE2-CG 4.31Å; Y481-P488 HydrophobicContact CG-CB 4.41Å; P488-L637 HydrophobicContact CB-CD1 4.44Å; P488-L637 HydrophobicContact CG-CD1 3.81Å
489F91.3Very high91.1Very high31 Ų3142.5 Ų42.514%0.13621%0.214CC..SBendtrans-85.2-19.9177.967.5-106.2000113L469 F480 Y481 D482 L531L469-F489 HydrophobicContact CD1-CZ 4.48Å; L469-F489 HydrophobicContact CD2-CE1 4.03Å; L469-F489 HydrophobicContact CD2-CZ 4.37Å; F480-F489 HydrophobicContact CB-CD2 4.3Å; F480-F489 HydrophobicContact CB-CE1 4.09Å; F480-F489 HydrophobicContact CB-CE2 3.8Å; F480-F489 HydrophobicContact CB-CZ 3.69Å; F480-F489 WeakPolarHBondContact O-CD1 3.3Å; F480-F489 PolarHBondContact O-N 3.24Å; Y481-F489 VanDerWaalsContact C-CE1 3.46Å; Y481-F489 WeakPolarHBondContact O-CE1 3.46Å; D482-F489 HydrophobicContact CB-CD1 4.39Å; D482-F489 HydrophobicContact CB-CE1 4.29Å; F489-L531 HydrophobicContact CE2-CD2 3.82Å; F489-L531 HydrophobicContact CZ-CD2 4.03Å
490A91.8Very high91.1Very high12 Ų1242 Ų4210%0.09921%0.211CC..EExtended strand (participates in β ladder)trans-149.2151.7171.700000111.1F480F480-A490 HydrophobicContact CB-CB 4.23Å; F480-A490 HydrophobicContact CD2-CB 4.25Å; F480-A490 PolarHBondContact N-O 3.01Å
491Q92.9Very high91Very high58 Ų5842.6 Ų42.627%0.27121%0.214SC..EExtended strand (participates in β ladder)trans-129.7140.5171.1175.5170.921.800109.5V478 L479 L634V478-Q491 WeakPolarHBondContact O-CA 3.42Å; L479-Q491 HydrophobicContact CD2-CB 3.69Å; L479-Q491 HydrophobicContact CD2-CG 3.57Å; Q491-L634 WeakPolarHBondContact O-CD1 3.44Å
492V92.3Very high91.1Very high5 Ų542.4 Ų42.43%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-125.9128.4165.4-168.60000108.2M1 S477 V478 F480 L495 I524 L634M1-V492 HydrophobicContact CE-CG2 3.37Å; M1-V492 HydrophobicContact SD-CG2 3.98Å; S477-V492 CarbonylContact C-O 3.49Å; S477-V492 VanDerWaalsContact CA-O 3.23Å; S477-V492 WeakPolarHBondContact CA-O 3.43Å; S477-V492 VanDerWaalsContact CB-O 3.27Å; S477-V492 WeakPolarHBondContact CB-O 3.46Å; V478-V492 PolarHBondContact N-O 2.91Å; V478-V492 PolarHBondContact O-N 2.77Å; F480-V492 HydrophobicContact CE2-CG2 4.11Å; V492-L495 HydrophobicContact CG1-CD1 3.78Å; V492-L495 HydrophobicContact CG1-CD2 3.73Å; V492-L495 HydrophobicContact CG1-CG 3.74Å; V492-I524 HydrophobicContact CB-CD1 4.33Å; V492-I524 HydrophobicContact CG1-CD1 4.47Å; V492-I524 HydrophobicContact CG2-CD1 4.05Å; V492-L634 HydrophobicContact CG2-CD1 3.95Å
493S90.8Very high91.3Very high32 Ų3242.4 Ų42.422%0.22421%0.213CC..EExtended strand (participates in β ladder)trans-137.5164.3-176.3600000111L495S493-L495 VanDerWaalsContact C-N 3.26Å; S493-L495 PolarHBondContact O-N 3.17Å
494Q86.6Confident91.6Very high126 Ų12642.6 Ų42.659%0.58922%0.215SC*.  trans58.434177.6-50.6-179.120.100113.7D476D476-Q494 PolarHBondContact O-N 2.88Å
495L86.1Confident91.8Very high24 Ų2441.5 Ų41.513%0.12621%0.21CC..SBendtrans-74.5-35.3173.7-71.5177.6000112.9V492 S493 I514 I524V492-L495 HydrophobicContact CG1-CD1 3.78Å; V492-L495 HydrophobicContact CG1-CD2 3.73Å; V492-L495 HydrophobicContact CG1-CG 3.74Å; S493-L495 VanDerWaalsContact C-N 3.26Å; S493-L495 PolarHBondContact O-N 3.17Å; L495-I514 HydrophobicContact CD1-CD1 3.92Å; L495-I524 HydrophobicContact CD1-CD1 4.4Å
496H90.1Very high92.1Very high26 Ų2640 Ų4012%0.1220%0.202CC..  trans-127.8159.8-170.5-74.5-86.9000110.3L500 S516 D518 Y520 S522H496-L500 HydrophobicContact CB-CD2 3.89Å; H496-L500 VanDerWaalsContact CD2-CD2 3.47Å; H496-L500 WeakPolarHBondContact CD2-CD2 3.06Å; H496-S516 VanDerWaalsContact CG-CB 3.44Å; H496-S516 VanDerWaalsContact ND1-CB 3.26Å; H496-S516 WeakPolarHBondContact ND1-CB 3.44Å; H496-D518 WeakPolarHBondContact CA-OD2 3.38Å; H496-D518 VanDerWaalsContact CB-OD2 3.24Å; H496-D518 WeakPolarHBondContact CB-OD2 3.29Å; H496-D518 IonicContact CE1-OD1 3.8Å; H496-D518 IonicContact CG-OD1 3.89Å; H496-D518 IonicContact CG-OD2 3.15Å; H496-D518 VanDerWaalsContact ND1-CG 3.35Å; H496-D518 IonicContact ND1-OD1 2.64Å; H496-D518 PolarHBondContact ND1-OD1 3.19Å; H496-D518 IonicContact ND1-OD2 3.68Å; H496-D518 PolarHBondContact ND1-OD2 3.18Å; H496-D518 VanDerWaalsContact ND1-OD2 3.17Å; H496-Y520 PolarHBondContact CE1-O 3.21Å; H496-Y520 VanDerWaalsContact CE1-O 3.25Å; H496-S522 WeakPolarHBondContact NE2-CB 3.22Å; H496-S522 PolarHBondContact NE2-OG 2.89Å
497Y89.1Confident92.1Very high211 Ų21138.7 Ų38.783%0.82719%0.191SC*.SBendtrans-88.8-13.5177.6-70.1-81.1000113.4D518Y497-D518 PolarHBondContact N-OD2 3.36Å
498Q91.8Very high91.9Very high102 Ų10236.3 Ų36.348%0.47718%0.176SC..SBendtrans-131.3-179177.2-57.6-174.123.300111.1S516 T517 D518Q498-S516 PolarHBondContact O-OG 2.86Å; Q498-T517 PolarHBondContact OE1-O 2.76Å; Q498-D518 HydrophobicContact CB-CB 3.97Å; Q498-D518 HydrophobicContact CG-CB 3.9Å
499A92.7Very high91.8Very high30 Ų3035.4 Ų35.425%0.24817%0.17CC..  trans-56.4145.8-174.900000113.7E475 S516 T517E475-A499 HydrophobicContact CG-CB 3.99Å; E475-A499 CarbonylContact O-C 3.59Å; E475-A499 VanDerWaalsContact O-CA 3.24Å; E475-A499 WeakPolarHBondContact O-CA 3.48Å; A499-S516 VanDerWaalsContact O-CA 3.25Å; A499-S516 WeakPolarHBondContact O-CA 3.17Å; A499-S516 WeakPolarHBondContact O-CB 3.29Å; A499-S516 PolarHBondContact O-OG 3.49Å; A499-T517 PolarHBondContact O-N 2.97Å; A499-T517 PolarHBondContact O-OG1 3.44Å
500L95Very high91.6Very high2 Ų234.4 Ų34.41%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-87.3130.7168.1-48.5-178.1000109.9V473 E475 V478 H496 I514V473-L500 HydrophobicContact CG1-CB 3.59Å; V473-L500 HydrophobicContact CG1-CD1 4.4Å; E475-L500 PolarHBondContact O-N 3.31Å; V478-L500 HydrophobicContact CG2-CD1 3.7Å; H496-L500 HydrophobicContact CB-CD2 3.89Å; H496-L500 VanDerWaalsContact CD2-CD2 3.47Å; H496-L500 WeakPolarHBondContact CD2-CD2 3.06Å; L500-I514 HydrophobicContact CB-CG2 4.27Å; L500-I514 HydrophobicContact CD1-CG2 4.09Å; L500-I514 HydrophobicContact CD2-CG2 3.95Å; L500-I514 HydrophobicContact CG-CG2 4.33Å
501N95.4Very high91.6Very high12 Ų1234 Ų346%0.06416%0.162CC..EExtended strand (participates in β ladder)trans-106.2-37.8-171.3-64.6-42.7000113.6I16 F351 C515 T517I16-N501 PolarHBondContact O-ND2 2.77Å; F351-N501 HydrophobicContact CD2-CB 4.12Å; F351-N501 HydrophobicContact CE2-CB 4Å; N501-C515 PolarHBondContact N-O 2.88Å; N501-T517 PolarHBondContact ND2-N 2.98Å; N501-T517 VanDerWaalsContact ND2-N 3.19Å; N501-T517 PolarHBondContact ND2-OG1 2.88Å; N501-T517 PolarHBondContact OD1-OG1 3.28Å
502D97Very high91.7Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-154.5168.7178.4-144.2-24.7000111.5R145 R353 R436 I514 C515R145-D502 IonicContact CZ-OD2 2.65Å; R145-D502 IonicContact NH1-OD2 3.66Å; R145-D502 PolarHBondContact NH1-OD2 2.86Å; R145-D502 IonicContact NH2-OD2 3.66Å; R145-D502 PolarHBondContact NH2-OD2 2.95Å; R353-D502 WeakPolarHBondContact CD-OD2 3.46Å; R353-D502 IonicContact CZ-OD2 3.3Å; R353-D502 IonicContact NE-OD2 3.17Å; R353-D502 IonicContact NH1-OD2 3.2Å; R353-D502 PolarHBondContact NH1-OD2 3.02Å; R436-D502 IonicContact CZ-OD1 3.6Å; R436-D502 VanDerWaalsContact CZ-OD1 3.24Å; R436-D502 IonicContact CZ-OD2 2.77Å; R436-D502 IonicContact NE-OD1 3.23Å; R436-D502 PolarHBondContact NE-OD1 2.77Å; R436-D502 IonicContact NH2-OD1 2.74Å; R436-D502 PolarHBondContact NH2-OD1 2.89Å; R436-D502 IonicContact NH2-OD2 3.29Å; R436-D502 PolarHBondContact NH2-OD2 3.09Å; D502-I514 WeakPolarHBondContact O-CA 3.44Å; D502-C515 PolarHBondContact O-N 2.84Å
503A97.4Very high91.8Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-141.4163.7166.700000110.4R436 V473 V512 V513 I514R436-A503 VanDerWaalsContact CD-O 3.25Å; R436-A503 WeakPolarHBondContact CD-O 3.29Å; R436-A503 HydrophobicContact CG-CB 4.34Å; R436-A503 VanDerWaalsContact CG-O 3.23Å; R436-A503 WeakPolarHBondContact CG-O 3.39Å; R436-A503 PolarHBondContact NE-O 2.9Å; V473-A503 HydrophobicContact CG2-CB 3.65Å; A503-V512 HydrophobicContact CB-CG1 4.29Å; A503-V513 CarbonylContact C-O 3.54Å; A503-V513 WeakPolarHBondContact CA-O 3.24Å; A503-V513 VanDerWaalsContact CB-O 3.28Å; A503-V513 WeakPolarHBondContact CB-O 3.36Å; A503-I514 HydrophobicContact CB-CG1 4.1Å
504S97.2Very high92Very high6 Ų629.5 Ų29.54%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-146.8145.2167-169.40000110.9D20 L21 V512 V513D20-S504 WeakPolarHBondContact OD1-CB 3.16Å; D20-S504 PolarHBondContact OD1-OG 2.71Å; L21-S504 WeakPolarHBondContact CD1-O 3.2Å; L21-S504 PolarHBondContact N-OG 3.34Å; S504-V512 WeakPolarHBondContact O-CA 3.34Å; S504-V513 PolarHBondContact N-O 2.83Å; S504-V513 PolarHBondContact O-N 2.84Å
505W95.3Very high92.4Very high4 Ų423.5 Ų23.52%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-96.7146.1179.1-73.179.5000110.2L21 N23 R436 C438 C471 F480 L511 V512 F526 L531L21-W505 VanDerWaalsContact CD1-C 3.5Å; N23-W505 PolarHBondContact ND2-O 2.92Å; N23-W505 PolarHBondContact OD1-O 2.92Å; R436-W505 PolarHBondContact O-NE1 3.48Å; R436-W505 VanDerWaalsContact O-NE1 3.16Å; C438-W505 HydrophobicContact CB-CD2 3.77Å; C438-W505 HydrophobicContact CB-CE3 3.71Å; C438-W505 HydrophobicContact CB-CG 4.34Å; C438-W505 HydrophobicContact CB-CH2 4.28Å; C438-W505 HydrophobicContact CB-CZ2 4.33Å; C438-W505 HydrophobicContact CB-CZ3 3.98Å; C438-W505 VanDerWaalsContact SG-CE3 3.59Å; C471-W505 HydrophobicContact CB-CZ2 4.3Å; C471-W505 PolarHBondContact SG-NE1 2.61Å; C471-W505 VanDerWaalsContact SG-NE1 3.38Å; F480-W505 AromaticContact CD1-CH2 3.89Å; F480-W505 HydrophobicContact CD1-CH2 3.89Å; F480-W505 AromaticContact CD1-CZ2 3.78Å; F480-W505 HydrophobicContact CD1-CZ2 3.78Å; F480-W505 AromaticContact CE1-CH2 3.9Å; F480-W505 HydrophobicContact CE1-CH2 3.9Å; F480-W505 AromaticContact CE1-CZ2 3.74Å; F480-W505 HydrophobicContact CE1-CZ2 3.74Å; W505-L511 WeakPolarHBondContact CA-O 3.4Å; W505-V512 HydrophobicContact CD2-CG2 3.38Å; W505-V512 HydrophobicContact CE3-CG2 3.36Å; W505-V512 HydrophobicContact CG-CG2 3.97Å; W505-V512 HydrophobicContact CH2-CG2 3.94Å; W505-V512 HydrophobicContact CZ2-CG2 3.96Å; W505-V512 HydrophobicContact CZ3-CG2 3.64Å; W505-F526 HydrophobicContact CH2-CE2 4.04Å; W505-F526 HydrophobicContact CZ3-CD2 4.36Å; W505-F526 HydrophobicContact CZ3-CE2 4.01Å; W505-L531 HydrophobicContact CH2-CD1 4.5Å; W505-L531 HydrophobicContact CZ3-CD1 4.12Å
506S92.2Very high92.8Very high0 Ų022.3 Ų22.30%010%0.103CC..  trans-74.2157.2169.455.60000112.5P439 D508 G509 L511P439-S506 WeakPolarHBondContact CG-O 3.46Å; S506-D508 VanDerWaalsContact CB-OD1 3.3Å; S506-D508 WeakPolarHBondContact CB-OD1 3.49Å; S506-D508 PolarHBondContact O-N 3.11Å; S506-D508 VanDerWaalsContact O-N 3.17Å; S506-D508 PolarHBondContact OG-OD1 2.88Å; S506-G509 PolarHBondContact O-N 2.6Å; S506-L511 PolarHBondContact N-O 3.35Å; S506-L511 WeakPolarHBondContact OG-CA 3.5Å; S506-L511 WeakPolarHBondContact OG-CB 3.03Å; S506-L511 PolarHBondContact OG-N 3.26Å; S506-L511 PolarHBondContact OG-O 3.41Å; S506-L511 VanDerWaalsContact OG-O 3.09Å
507K87.8Confident93Very high46 Ų4622.5 Ų22.520%0.211%0.106CC..THydrogen-bonded Turntrans-57.5-27.4179.9-178.4176.2171-178.80114.5N23 R24 Q440N23-K507 HydrophobicContact CB-CB 4.48Å; N23-K507 WeakPolarHBondContact OD1-CA 3.27Å; N23-K507 PolarHBondContact OD1-N 2.94Å; R24-K507 WeakPolarHBondContact O-CE 3.38Å; R24-K507 PolarHBondContact O-NZ 3.45Å; Q440-K507 WeakPolarHBondContact CG-O 3.43Å; Q440-K507 PolarHBondContact NE2-O 2.77Å
508D84.8Confident93.1Very high17 Ų1713.3 Ų13.39%0.0917%0.071CC..THydrogen-bonded Turntrans-84.8-11.2174.258.213.6000113.6L55 Q440 S506 H510 F534L55-D508 HydrophobicContact CD2-CB 3.9Å; Q440-D508 WeakPolarHBondContact CG-O 3.29Å; S506-D508 VanDerWaalsContact CB-OD1 3.3Å; S506-D508 WeakPolarHBondContact CB-OD1 3.49Å; S506-D508 PolarHBondContact O-N 3.11Å; S506-D508 VanDerWaalsContact O-N 3.17Å; S506-D508 PolarHBondContact OG-OD1 2.88Å; D508-H510 VanDerWaalsContact C-N 3.25Å; D508-H510 PolarHBondContact O-N 2.67Å; D508-H510 PolarHBondContact OD1-N 3.15Å; D508-F534 WeakPolarHBondContact O-CE1 3.35Å; D508-F534 WeakPolarHBondContact O-CZ 3.17Å
509G89.3Confident93Very high0 Ų08.5 Ų8.50%05%0.048CC..SBendtrans71.912.3-175.700000115.1C438 S506C438-G509 WeakPolarHBondContact SG-CA 3.47Å; S506-G509 PolarHBondContact O-N 2.6Å
510H88.4Confident92.9Very high10 Ų1010.6 Ų10.65%0.0465%0.05CC..SBendtrans-98.8-22.2-178.9-69.3-37.4000114.3D508 H525 F526 H528 F534D508-H510 VanDerWaalsContact C-N 3.25Å; D508-H510 PolarHBondContact O-N 2.67Å; D508-H510 PolarHBondContact OD1-N 3.15Å; H510-H525 CarbonylContact O-C 3.55Å; H510-H525 WeakPolarHBondContact O-CA 3.4Å; H510-F526 PolarHBondContact O-N 3.03Å; H510-H528 AromaticContact CD2-CD2 3.52Å; H510-H528 AromaticContact CD2-NE2 3.75Å; H510-H528 AromaticContact NE2-CD2 3.31Å; H510-H528 PolarHBondContact NE2-CD2 3.36Å; H510-H528 VanDerWaalsContact NE2-CD2 3.31Å; H510-F534 AromaticContact CE1-CZ 3.74Å; H510-F534 AromaticContact NE2-CZ 3.6Å
511L91Very high92.8Very high3 Ų310.5 Ų10.52%0.0165%0.05CC..EExtended strand (participates in β ladder)trans-114.9139177.5175.773.1000110.8V78 L80 W505 S506 V513 L523 I524V78-L511 HydrophobicContact CG1-CD2 3.87Å; L80-L511 HydrophobicContact CD2-CD2 4.23Å; W505-L511 WeakPolarHBondContact CA-O 3.4Å; S506-L511 PolarHBondContact N-O 3.35Å; S506-L511 WeakPolarHBondContact OG-CA 3.5Å; S506-L511 WeakPolarHBondContact OG-CB 3.03Å; S506-L511 PolarHBondContact OG-N 3.26Å; S506-L511 PolarHBondContact OG-O 3.41Å; S506-L511 VanDerWaalsContact OG-O 3.09Å; L511-V513 HydrophobicContact CD2-CG2 4.5Å; L511-L523 HydrophobicContact CD1-CB 4.03Å; L511-L523 HydrophobicContact CD1-CD2 4.22Å; L511-L523 HydrophobicContact CD1-CG 4.25Å; L511-I524 CarbonylContact C-O 3.6Å; L511-I524 WeakPolarHBondContact CA-O 3.43Å
512V94.7Very high92.6Very high0 Ų010 Ų100%05%0.047CC..EExtended strand (participates in β ladder)trans-126.5124.7167.6-177.50000108.6F480 A503 S504 W505 I514 I524 F526F480-V512 HydrophobicContact CE1-CG2 4.31Å; A503-V512 HydrophobicContact CB-CG1 4.29Å; S504-V512 WeakPolarHBondContact O-CA 3.34Å; W505-V512 HydrophobicContact CD2-CG2 3.38Å; W505-V512 HydrophobicContact CE3-CG2 3.36Å; W505-V512 HydrophobicContact CG-CG2 3.97Å; W505-V512 HydrophobicContact CH2-CG2 3.94Å; W505-V512 HydrophobicContact CZ2-CG2 3.96Å; W505-V512 HydrophobicContact CZ3-CG2 3.64Å; V512-I514 HydrophobicContact CG1-CG1 4.37Å; V512-I524 HydrophobicContact CB-CB 4.25Å; V512-I524 HydrophobicContact CB-CG2 4.46Å; V512-I524 PolarHBondContact N-O 2.96Å; V512-I524 PolarHBondContact O-N 2.93Å; V512-F526 HydrophobicContact CG2-CE2 4.1Å
513V95Very high92.4Very high0 Ų010.2 Ų10.20%05%0.048CC..EExtended strand (participates in β ladder)trans-94.6139.6169178.70000108.2C19 L21 L64 A503 S504 L511 C521 S522 L523C19-V513 HydrophobicContact CB-CG1 4.17Å; L21-V513 HydrophobicContact CD1-CB 4.48Å; L21-V513 HydrophobicContact CD1-CG2 3.96Å; L21-V513 HydrophobicContact CD2-CG2 4.12Å; L21-V513 HydrophobicContact CG-CG2 4.23Å; L64-V513 HydrophobicContact CD1-CB 4.32Å; L64-V513 HydrophobicContact CD1-CG1 3.98Å; L64-V513 HydrophobicContact CD1-CG2 4.22Å; L64-V513 HydrophobicContact CD2-CG1 4.03Å; L64-V513 HydrophobicContact CD2-CG2 4.15Å; A503-V513 CarbonylContact C-O 3.54Å; A503-V513 WeakPolarHBondContact CA-O 3.24Å; A503-V513 VanDerWaalsContact CB-O 3.28Å; A503-V513 WeakPolarHBondContact CB-O 3.36Å; S504-V513 PolarHBondContact N-O 2.83Å; S504-V513 PolarHBondContact O-N 2.84Å; L511-V513 HydrophobicContact CD2-CG2 4.5Å; V513-C521 HydrophobicContact CG1-CB 4.2Å; V513-S522 WeakPolarHBondContact CA-O 3.44Å; V513-L523 HydrophobicContact CG2-CG 4.24Å
514I95.6Very high92.2Very high0 Ų010.3 Ų10.30%05%0.049CC..EExtended strand (participates in β ladder)trans-125.5141.2173.3-61.2158.4000107.5V478 L495 L500 D502 A503 V512 C521 S522 I524V478-I514 HydrophobicContact CB-CD1 4.3Å; V478-I514 HydrophobicContact CG2-CD1 3.56Å; V478-I514 HydrophobicContact CG2-CG1 4.13Å; L495-I514 HydrophobicContact CD1-CD1 3.92Å; L500-I514 HydrophobicContact CB-CG2 4.27Å; L500-I514 HydrophobicContact CD1-CG2 4.09Å; L500-I514 HydrophobicContact CD2-CG2 3.95Å; L500-I514 HydrophobicContact CG-CG2 4.33Å; D502-I514 WeakPolarHBondContact O-CA 3.44Å; A503-I514 HydrophobicContact CB-CG1 4.1Å; V512-I514 HydrophobicContact CG1-CG1 4.37Å; I514-C521 CarbonylContact O-C 3.57Å; I514-C521 WeakPolarHBondContact O-CA 3.35Å; I514-S522 PolarHBondContact N-O 3.13Å; I514-S522 PolarHBondContact O-N 3.05Å; I514-I524 HydrophobicContact CD1-CD1 3.51Å; I514-I524 HydrophobicContact CD1-CG1 4.34Å
515C95.1Very high91.8Very high0 Ų010.8 Ų10.80%05%0.05CC..EExtended strand (participates in β ladder)trans-120.3148.9174.774.40000112.8I16 C19 N501 D502I16-C515 HydrophobicContact CB-CB 3.89Å; I16-C515 HydrophobicContact CG2-CB 3.62Å; I16-C515 PolarHBondContact O-SG 3.45Å; C19-C515 HydrophobicContact CB-CB 3.91Å; N501-C515 PolarHBondContact N-O 2.88Å; D502-C515 PolarHBondContact O-N 2.84Å
516S94.4Very high91.5Very high0 Ų010.8 Ų10.80%05%0.05CC..EExtended strand (participates in β ladder)trans-131.5157.6-175-179.70000113.4I16 H496 Q498 A499 D518 G519 Y520I16-S516 PolarHBondContact N-O 3.18Å; H496-S516 VanDerWaalsContact CG-CB 3.44Å; H496-S516 VanDerWaalsContact ND1-CB 3.26Å; H496-S516 WeakPolarHBondContact ND1-CB 3.44Å; Q498-S516 PolarHBondContact O-OG 2.86Å; A499-S516 VanDerWaalsContact O-CA 3.25Å; A499-S516 WeakPolarHBondContact O-CA 3.17Å; A499-S516 WeakPolarHBondContact O-CB 3.29Å; A499-S516 PolarHBondContact O-OG 3.49Å; S516-D518 WeakPolarHBondContact CB-OD1 3.46Å; S516-D518 PolarHBondContact O-N 3.29Å; S516-D518 PolarHBondContact OG-N 3.39Å; S516-D518 PolarHBondContact OG-OD1 3.12Å; S516-G519 PolarHBondContact O-N 3.1Å; S516-Y520 PolarHBondContact N-O 3.37Å
517T93.7Very high91.2Very high30 Ų3013 Ų1318%0.1847%0.069CC..THydrogen-bonded Turntrans-62.7-16.7170.5-44.50000112.7P15 Q498 A499 N501 G519P15-T517 WeakPolarHBondContact CA-O 3.39Å; P15-T517 HydrophobicContact CB-CG2 3.8Å; P15-T517 HydrophobicContact CG-CG2 3.76Å; Q498-T517 PolarHBondContact OE1-O 2.76Å; A499-T517 PolarHBondContact O-N 2.97Å; A499-T517 PolarHBondContact O-OG1 3.44Å; N501-T517 PolarHBondContact ND2-N 2.98Å; N501-T517 VanDerWaalsContact ND2-N 3.19Å; N501-T517 PolarHBondContact ND2-OG1 2.88Å; N501-T517 PolarHBondContact OD1-OG1 3.28Å; T517-G519 PolarHBondContact O-N 3.4Å
518D90.7Very high91Very high18 Ų1816.8 Ų16.810%0.0969%0.087CC..THydrogen-bonded Turntrans-77.32.3175.573.15.4000115.2H496 Y497 Q498 S516 Y520H496-D518 WeakPolarHBondContact CA-OD2 3.38Å; H496-D518 VanDerWaalsContact CB-OD2 3.24Å; H496-D518 WeakPolarHBondContact CB-OD2 3.29Å; H496-D518 IonicContact CE1-OD1 3.8Å; H496-D518 IonicContact CG-OD1 3.89Å; H496-D518 IonicContact CG-OD2 3.15Å; H496-D518 VanDerWaalsContact ND1-CG 3.35Å; H496-D518 IonicContact ND1-OD1 2.64Å; H496-D518 PolarHBondContact ND1-OD1 3.19Å; H496-D518 IonicContact ND1-OD2 3.68Å; H496-D518 PolarHBondContact ND1-OD2 3.18Å; H496-D518 VanDerWaalsContact ND1-OD2 3.17Å; Y497-D518 PolarHBondContact N-OD2 3.36Å; Q498-D518 HydrophobicContact CB-CB 3.97Å; Q498-D518 HydrophobicContact CG-CB 3.9Å; S516-D518 WeakPolarHBondContact CB-OD1 3.46Å; S516-D518 PolarHBondContact O-N 3.29Å; S516-D518 PolarHBondContact OG-N 3.39Å; S516-D518 PolarHBondContact OG-OD1 3.12Å; D518-Y520 HydrophobicContact CB-CD2 4.5Å; D518-Y520 WeakPolarHBondContact O-CD2 3.38Å; D518-Y520 VanDerWaalsContact O-CE2 3.29Å; D518-Y520 WeakPolarHBondContact O-CE2 3.22Å; D518-Y520 WeakPolarHBondContact OD1-CD2 3.48Å; D518-Y520 PolarHBondContact OD1-N 3.34Å
519G90.6Very high90.9Very high0 Ų018.5 Ų18.50%011%0.109CC..SBendtrans88.69173.700000115.2L14 S516 T517L14-G519 VanDerWaalsContact O-CA 3.26Å; L14-G519 WeakPolarHBondContact O-CA 3.36Å; S516-G519 PolarHBondContact O-N 3.1Å; T517-G519 PolarHBondContact O-N 3.4Å
520Y91.2Very high90.9Very high74 Ų7422.6 Ų22.629%0.2913%0.128SC..  trans-118.3154.5179.7-59-89.7000113.2I8 H496 S516 D518I8-Y520 WeakPolarHBondContact O-CD1 3.31Å; H496-Y520 PolarHBondContact CE1-O 3.21Å; H496-Y520 VanDerWaalsContact CE1-O 3.25Å; S516-Y520 PolarHBondContact N-O 3.37Å; D518-Y520 HydrophobicContact CB-CD2 4.5Å; D518-Y520 WeakPolarHBondContact O-CD2 3.38Å; D518-Y520 VanDerWaalsContact O-CE2 3.29Å; D518-Y520 WeakPolarHBondContact O-CE2 3.22Å; D518-Y520 WeakPolarHBondContact OD1-CD2 3.48Å; D518-Y520 PolarHBondContact OD1-N 3.34Å
521C91.9Very high91Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-107.6138.9163.4-70.90000111.1P6 W10 I16 V513 I514P6-C521 WeakPolarHBondContact CD-O 3.24Å; W10-C521 HydrophobicContact CD2-CB 4.07Å; W10-C521 HydrophobicContact CE3-CB 4.49Å; W10-C521 HydrophobicContact CH2-CB 4.27Å; W10-C521 HydrophobicContact CZ2-CB 3.8Å; I16-C521 WeakPolarHBondContact CD1-SG 3.38Å; V513-C521 HydrophobicContact CG1-CB 4.2Å; I514-C521 CarbonylContact O-C 3.57Å; I514-C521 WeakPolarHBondContact O-CA 3.35Å
522S92Very high90.8Very high2 Ų224 Ų241%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-103.8138.8171.2-75.60000111.2T5 H496 V513 I514T5-S522 VanDerWaalsContact CG2-OG 3.31Å; T5-S522 WeakPolarHBondContact CG2-OG 3.29Å; H496-S522 WeakPolarHBondContact NE2-CB 3.22Å; H496-S522 PolarHBondContact NE2-OG 2.89Å; V513-S522 WeakPolarHBondContact CA-O 3.44Å; I514-S522 PolarHBondContact N-O 3.13Å; I514-S522 PolarHBondContact O-N 3.05Å
523L92.1Very high90.5Very high4 Ų426.6 Ų26.62%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-111.5115.9177.8-76.975.3000109.9F3 L4 P6 W10 V78 W82 L511 V513F3-L523 CarbonylContact C-O 3.41Å; F3-L523 VanDerWaalsContact CA-O 3.3Å; F3-L523 WeakPolarHBondContact CA-O 3.13Å; L4-L523 PolarHBondContact N-O 3.3Å; L4-L523 PolarHBondContact O-N 3.03Å; P6-L523 HydrophobicContact CG-CD1 4.01Å; W10-L523 HydrophobicContact CZ2-CD1 4.28Å; V78-L523 HydrophobicContact CG1-CD2 3.73Å; W82-L523 HydrophobicContact CH2-CD2 3.72Å; W82-L523 HydrophobicContact CZ2-CD2 3.49Å; W82-L523 VanDerWaalsContact CZ2-CD2 3.49Å; L511-L523 HydrophobicContact CD1-CB 4.03Å; L511-L523 HydrophobicContact CD1-CD2 4.22Å; L511-L523 HydrophobicContact CD1-CG 4.25Å; V513-L523 HydrophobicContact CG2-CG 4.24Å
524I92.1Very high90.2Very high2 Ų229.3 Ų29.31%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-101.2124.3174.8-75.6174.9000109M1 F480 V492 L495 L511 V512 I514 F526M1-I524 HydrophobicContact CE-CB 4.43Å; M1-I524 HydrophobicContact CE-CD1 4.11Å; M1-I524 HydrophobicContact CE-CG1 4.35Å; M1-I524 HydrophobicContact CE-CG2 3.3Å; M1-I524 HydrophobicContact CG-CG2 4.38Å; F480-I524 HydrophobicContact CE2-CD1 4.34Å; F480-I524 HydrophobicContact CZ-CD1 4.05Å; F480-I524 HydrophobicContact CZ-CG2 4.42Å; V492-I524 HydrophobicContact CB-CD1 4.33Å; V492-I524 HydrophobicContact CG1-CD1 4.47Å; V492-I524 HydrophobicContact CG2-CD1 4.05Å; L495-I524 HydrophobicContact CD1-CD1 4.4Å; L511-I524 CarbonylContact C-O 3.6Å; L511-I524 WeakPolarHBondContact CA-O 3.43Å; V512-I524 HydrophobicContact CB-CB 4.25Å; V512-I524 HydrophobicContact CB-CG2 4.46Å; V512-I524 PolarHBondContact N-O 2.96Å; V512-I524 PolarHBondContact O-N 2.93Å; I514-I524 HydrophobicContact CD1-CD1 3.51Å; I514-I524 HydrophobicContact CD1-CG1 4.34Å; I524-F526 HydrophobicContact CG2-CD2 4.3Å; I524-F526 HydrophobicContact CG2-CE2 3.73Å; I524-F526 HydrophobicContact CG2-CZ 3.9Å
525H89.9Confident89.8Confident16 Ų1630.8 Ų30.87%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-120.4120.8179.6179.7-60.4000111.4M1 R2 H510M1-H525 CarbonylContact C-O 3.57Å; M1-H525 WeakPolarHBondContact CA-O 3.48Å; R2-H525 HydrophobicContact CB-CB 4.36Å; R2-H525 PolarHBondContact N-O 3.33Å; R2-H525 PolarHBondContact O-N 2.84Å; H510-H525 CarbonylContact O-C 3.55Å; H510-H525 WeakPolarHBondContact O-CA 3.4Å
526F89.7Confident89.3Confident4 Ų434.7 Ų34.72%0.01820%0.198CC..PPolyproline II helixtrans-89.5136.5170.3-60.2-80.8000110M1 F480 W505 H510 V512 I524 L531M1-F526 HydrophobicContact CE-CE1 3.65Å; M1-F526 HydrophobicContact CE-CZ 3.68Å; M1-F526 HydrophobicContact CG-CD1 4.31Å; M1-F526 HydrophobicContact CG-CE1 4.22Å; M1-F526 HydrophobicContact SD-CE1 4.23Å; F480-F526 AromaticContact CD1-CZ 3.94Å; F480-F526 HydrophobicContact CD1-CZ 3.94Å; F480-F526 AromaticContact CE1-CE2 3.99Å; F480-F526 HydrophobicContact CE1-CE2 3.99Å; F480-F526 AromaticContact CE1-CZ 3.67Å; F480-F526 HydrophobicContact CE1-CZ 3.67Å; F480-F526 HydrophobicContact CE2-CZ 4.46Å; F480-F526 HydrophobicContact CG-CZ 4.45Å; F480-F526 HydrophobicContact CZ-CE2 4.43Å; F480-F526 AromaticContact CZ-CZ 3.95Å; F480-F526 HydrophobicContact CZ-CZ 3.95Å; W505-F526 HydrophobicContact CH2-CE2 4.04Å; W505-F526 HydrophobicContact CZ3-CD2 4.36Å; W505-F526 HydrophobicContact CZ3-CE2 4.01Å; H510-F526 PolarHBondContact O-N 3.03Å; V512-F526 HydrophobicContact CG2-CE2 4.1Å; I524-F526 HydrophobicContact CG2-CD2 4.3Å; I524-F526 HydrophobicContact CG2-CE2 3.73Å; I524-F526 HydrophobicContact CG2-CZ 3.9Å; F526-L531 HydrophobicContact CB-CD1 3.96Å; F526-L531 HydrophobicContact CB-CG 3.99Å; F526-L531 HydrophobicContact CD1-CD1 4.17Å; F526-L531 HydrophobicContact CD1-CD2 3.73Å; F526-L531 HydrophobicContact CD1-CG 3.96Å; F526-L531 HydrophobicContact CD2-CD1 3.72Å; F526-L531 HydrophobicContact CD2-CG 4.4Å; F526-L531 HydrophobicContact CE1-CD2 3.91Å; F526-L531 HydrophobicContact CE2-CD1 4.22Å; F526-L531 HydrophobicContact CG-CD1 3.68Å; F526-L531 HydrophobicContact CG-CD2 4.13Å; F526-L531 HydrophobicContact CG-CG 3.86Å; F526-L531 HydrophobicContact CZ-CD2 4.44Å
527A85.7Confident88.6Confident48 Ų4835.6 Ų35.640%0.39721%0.207SC..PPolyproline II helixtrans-69.5155.1175.600000111.3G529 E530A527-G529 PolarHBondContact O-N 3.45Å; A527-E530 HydrophobicContact CB-CB 4.18Å; A527-E530 PolarHBondContact N-OE2 3.12Å; A527-E530 WeakPolarHBondContact O-CB 3.35Å; A527-E530 PolarHBondContact O-N 3.46Å
528H82.6Confident87.6Confident124 Ų12436.8 Ų36.857%0.57422%0.215SC*.THydrogen-bonded Turntrans-52.9126.1172.3-64102.7000110.4H510 E530H510-H528 AromaticContact CD2-CD2 3.52Å; H510-H528 AromaticContact CD2-NE2 3.75Å; H510-H528 AromaticContact NE2-CD2 3.31Å; H510-H528 PolarHBondContact NE2-CD2 3.36Å; H510-H528 VanDerWaalsContact NE2-CD2 3.31Å; H528-E530 VanDerWaalsContact C-N 3.28Å; H528-E530 PolarHBondContact O-N 3.2Å
529G84Confident86.8Confident53 Ų5336.2 Ų36.255%0.54621%0.211SC..THydrogen-bonded Turntrans78.3-8.4-175.800000116.3A527 L531 G532A527-G529 PolarHBondContact O-N 3.45Å; G529-L531 VanDerWaalsContact C-N 3.27Å; G529-L531 PolarHBondContact O-N 3.1Å; G529-G532 WeakPolarHBondContact O-CA 3.44Å; G529-G532 PolarHBondContact O-N 2.72Å
530E88.1Confident85.5Confident87 Ų8738.1 Ų38.141%0.40723%0.231SC..THydrogen-bonded Turntrans-62.9-34.9179-173.2177.3165.800112.2M1 A527 H528 G532M1-E530 WeakPolarHBondContact CA-OE1 3.19Å; M1-E530 WeakPolarHBondContact CA-OE2 3.36Å; M1-E530 WeakPolarHBondContact CB-OE1 3.19Å; M1-E530 PolarHBondContact N-OE1 2.78Å; M1-E530 PolarHBondContact N-OE2 3.4Å; A527-E530 HydrophobicContact CB-CB 4.18Å; A527-E530 PolarHBondContact N-OE2 3.12Å; A527-E530 WeakPolarHBondContact O-CB 3.35Å; A527-E530 PolarHBondContact O-N 3.46Å; H528-E530 VanDerWaalsContact C-N 3.28Å; H528-E530 PolarHBondContact O-N 3.2Å; E530-G532 VanDerWaalsContact C-N 3.28Å
531L90.1Very high83.9Confident8 Ų836.1 Ų36.14%0.04223%0.23CC..THydrogen-bonded Turntrans-89.513.7173.1-62.8178.6000112.8F442 R467 L469 F489 W505 F526 G529F442-L531 HydrophobicContact CD1-CB 4.26Å; F442-L531 WeakPolarHBondContact CD1-O 3.39Å; F442-L531 HydrophobicContact CE1-CB 3.59Å; F442-L531 HydrophobicContact CZ-CB 3.93Å; F442-L531 HydrophobicContact CZ-CD1 4.25Å; R467-L531 PolarHBondContact NH2-O 3.2Å; L469-L531 HydrophobicContact CD1-CB 3.86Å; L469-L531 HydrophobicContact CD1-CD1 3.81Å; L469-L531 HydrophobicContact CD1-CD2 4.16Å; L469-L531 HydrophobicContact CD1-CG 4.16Å; F489-L531 HydrophobicContact CE2-CD2 3.82Å; F489-L531 HydrophobicContact CZ-CD2 4.03Å; W505-L531 HydrophobicContact CH2-CD1 4.5Å; W505-L531 HydrophobicContact CZ3-CD1 4.12Å; F526-L531 HydrophobicContact CB-CD1 3.96Å; F526-L531 HydrophobicContact CB-CG 3.99Å; F526-L531 HydrophobicContact CD1-CD1 4.17Å; F526-L531 HydrophobicContact CD1-CD2 3.73Å; F526-L531 HydrophobicContact CD1-CG 3.96Å; F526-L531 HydrophobicContact CD2-CD1 3.72Å; F526-L531 HydrophobicContact CD2-CG 4.4Å; F526-L531 HydrophobicContact CE1-CD2 3.91Å; F526-L531 HydrophobicContact CE2-CD1 4.22Å; F526-L531 HydrophobicContact CG-CD1 3.68Å; F526-L531 HydrophobicContact CG-CD2 4.13Å; F526-L531 HydrophobicContact CG-CG 3.86Å; F526-L531 HydrophobicContact CZ-CD2 4.44Å; G529-L531 VanDerWaalsContact C-N 3.27Å; G529-L531 PolarHBondContact O-N 3.1Å
532G87.5Confident82.5Confident35 Ų3540.3 Ų40.336%0.36126%0.257SS..  trans77.8-173.4-172.900000113.4G529 E530G529-G532 WeakPolarHBondContact O-CA 3.44Å; G529-G532 PolarHBondContact O-N 2.72Å; E530-G532 VanDerWaalsContact C-N 3.28Å
533A88.3Confident80.9Confident54 Ų5442.5 Ų42.545%0.44627%0.269SS..PPolyproline II helixtrans-82.7146.6-178.400000112.5F442 Q443F442-A533 WeakPolarHBondContact CA-O 3.4Å; Q443-A533 HydrophobicContact CG-CB 4.38Å; Q443-A533 PolarHBondContact N-O 3.36Å
534F89.7Confident79Confident57 Ų5747.7 Ų47.725%0.2530%0.303CS..BIsolated β-bridgetrans-69.6147.5174.5-58.9-61.6000112.5Q440 P441 F442 Q443 D508 H510Q440-F534 HydrophobicContact CB-CD1 3.69Å; Q440-F534 HydrophobicContact CB-CE1 3.6Å; Q440-F534 HydrophobicContact CG-CD1 4.05Å; Q440-F534 HydrophobicContact CG-CE1 3.71Å; Q440-F534 HydrophobicContact CG-CZ 4.36Å; P441-F534 CarbonylContact O-C 3.59Å; P441-F534 WeakPolarHBondContact O-CA 3.4Å; F442-F534 HydrophobicContact CD1-CD1 4.12Å; F442-F534 HydrophobicContact CD1-CE1 4.49Å; F442-F534 AromaticContact CE1-CD1 3.69Å; F442-F534 HydrophobicContact CE1-CD1 3.69Å; F442-F534 AromaticContact CE1-CE1 3.62Å; F442-F534 HydrophobicContact CE1-CE1 3.62Å; F442-F534 HydrophobicContact CE2-CD1 4.28Å; F442-F534 HydrophobicContact CE2-CE1 4.21Å; F442-F534 AromaticContact CZ-CD1 3.8Å; F442-F534 HydrophobicContact CZ-CD1 3.8Å; F442-F534 AromaticContact CZ-CE1 3.47Å; F442-F534 HydrophobicContact CZ-CE1 3.47Å; F442-F534 VanDerWaalsContact CZ-CE1 3.47Å; Q443-F534 WeakPolarHBondContact CG-O 3.25Å; Q443-F534 PolarHBondContact NE2-O 3.17Å; D508-F534 WeakPolarHBondContact O-CE1 3.35Å; D508-F534 WeakPolarHBondContact O-CZ 3.17Å; H510-F534 AromaticContact CE1-CZ 3.74Å; H510-F534 AromaticContact NE2-CZ 3.6Å
535Y87Confident76.6Confident31 Ų3153.3 Ų53.312%0.12233%0.329CS..PPolyproline II helixtrans-85.4140.9170.6-174.8-102.4000111P441 A465 Y466 G537 T538 F539P441-Y535 PolarHBondContact O-N 2.97Å; A465-Y535 HydrophobicContact CB-CE2 4.33Å; A465-Y535 WeakPolarHBondContact O-CE2 3.49Å; Y466-Y535 HydrophobicContact CD1-CD1 4.14Å; Y466-Y535 AromaticContact CD1-CE1 3.7Å; Y466-Y535 HydrophobicContact CD1-CE1 3.7Å; Y466-Y535 AromaticContact CD1-CZ 3.96Å; Y466-Y535 HydrophobicContact CG-CD1 4.16Å; Y466-Y535 HydrophobicContact CG-CE1 4.19Å; Y535-G537 VanDerWaalsContact CE1-C 3.4Å; Y535-G537 VanDerWaalsContact CE1-CA 3.41Å; Y535-G537 VanDerWaalsContact CE1-N 3.34Å; Y535-G537 VanDerWaalsContact CZ-CA 3.46Å; Y535-T538 PolarHBondContact OH-O 2.89Å; Y535-F539 AromaticContact CD1-CE2 3.81Å; Y535-F539 HydrophobicContact CD1-CE2 3.81Å; Y535-F539 AromaticContact CD1-CZ 3.83Å; Y535-F539 HydrophobicContact CD1-CZ 3.83Å; Y535-F539 HydrophobicContact CE1-CD2 4.45Å; Y535-F539 AromaticContact CE1-CE2 3.93Å; Y535-F539 HydrophobicContact CE1-CE2 3.93Å; Y535-F539 HydrophobicContact CE1-CZ 4.21Å
536R84.7Confident73.8Confident81 Ų8158.1 Ų58.131%0.30636%0.362SS..  trans-13821179.4-61.5-66.4178.9-111.29.3112.4K50K50-R536 VanDerWaalsContact CG-O 3.29Å; K50-R536 WeakPolarHBondContact CG-O 3.43Å
537G78.4Confident70.9Confident19 Ų1964.8 Ų64.820%0.19640%0.396CS..SBendtrans-85.1-170.9171.900000112.7Y535Y535-G537 VanDerWaalsContact CE1-C 3.4Å; Y535-G537 VanDerWaalsContact CE1-CA 3.41Å; Y535-G537 VanDerWaalsContact CE1-N 3.34Å; Y535-G537 VanDerWaalsContact CZ-CA 3.46Å
538T73.7Confident68Low56 Ų5667.6 Ų67.634%0.34441%0.413SS..  trans-84.9142.2176.444.90000111.6Y535Y535-T538 PolarHBondContact OH-O 2.89Å
539F73.3Confident65.4Low5 Ų567.7 Ų67.72%0.02242%0.416CS..THydrogen-bonded Turntrans-83.9166.6178.1-76.4-104.1000111.7L44 L47 F49 D359 P441 Y466 W468 Y535 A541L44-F539 WeakPolarHBondContact O-CB 3.29Å; L47-F539 HydrophobicContact CB-CB 3.95Å; L47-F539 HydrophobicContact CB-CD2 4.47Å; L47-F539 HydrophobicContact CB-CG 4.2Å; L47-F539 WeakPolarHBondContact O-CB 3.43Å; L47-F539 WeakPolarHBondContact O-CD2 3.49Å; L47-F539 PolarHBondContact O-N 3.35Å; F49-F539 HydrophobicContact CD2-CD2 4.31Å; F49-F539 AromaticContact CD2-CE2 3.47Å; F49-F539 HydrophobicContact CD2-CE2 3.47Å; F49-F539 VanDerWaalsContact CD2-CE2 3.47Å; F49-F539 AromaticContact CD2-CZ 3.76Å; F49-F539 HydrophobicContact CD2-CZ 3.76Å; F49-F539 AromaticContact CE2-CE2 3.97Å; F49-F539 HydrophobicContact CE2-CE2 3.97Å; F49-F539 AromaticContact CE2-CZ 3.91Å; F49-F539 HydrophobicContact CE2-CZ 3.91Å; F49-F539 HydrophobicContact CG-CE2 4.47Å; D359-F539 HydrophobicContact CB-CD1 4.3Å; P441-F539 HydrophobicContact CB-CE1 4.18Å; P441-F539 HydrophobicContact CB-CZ 3.6Å; P441-F539 HydrophobicContact CG-CE2 4.44Å; P441-F539 HydrophobicContact CG-CZ 3.72Å; Y466-F539 HydrophobicContact CD1-CD1 4.32Å; Y466-F539 HydrophobicContact CD1-CE1 4.12Å; Y466-F539 HydrophobicContact CD1-CZ 4.49Å; Y466-F539 HydrophobicContact CD2-CD1 4.39Å; Y466-F539 AromaticContact CD2-CE1 3.76Å; Y466-F539 HydrophobicContact CD2-CE1 3.76Å; Y466-F539 HydrophobicContact CD2-CZ 4.44Å; Y466-F539 AromaticContact CE1-CD1 3.73Å; Y466-F539 HydrophobicContact CE1-CD1 3.73Å; Y466-F539 AromaticContact CE1-CE1 3.95Å; Y466-F539 HydrophobicContact CE1-CE1 3.95Å; Y466-F539 HydrophobicContact CE1-CG 4.28Å; Y466-F539 AromaticContact CE2-CD1 3.78Å; Y466-F539 HydrophobicContact CE2-CD1 3.78Å; Y466-F539 AromaticContact CE2-CE1 3.55Å; Y466-F539 HydrophobicContact CE2-CE1 3.55Å; Y466-F539 HydrophobicContact CG-CE1 4.05Å; Y466-F539 HydrophobicContact CG-CZ 4.4Å; Y466-F539 AromaticContact CZ-CD1 3.43Å; Y466-F539 VanDerWaalsContact CZ-CD1 3.43Å; Y466-F539 AromaticContact CZ-CE1 3.67Å; W468-F539 HydrophobicContact CH2-CE1 4.09Å; W468-F539 HydrophobicContact CH2-CZ 4.44Å; W468-F539 HydrophobicContact CZ2-CD1 4.25Å; W468-F539 AromaticContact CZ2-CE1 3.49Å; W468-F539 HydrophobicContact CZ2-CE1 3.49Å; W468-F539 VanDerWaalsContact CZ2-CE1 3.49Å; W468-F539 HydrophobicContact CZ2-CZ 4.26Å; Y535-F539 AromaticContact CD1-CE2 3.81Å; Y535-F539 HydrophobicContact CD1-CE2 3.81Å; Y535-F539 AromaticContact CD1-CZ 3.83Å; Y535-F539 HydrophobicContact CD1-CZ 3.83Å; Y535-F539 HydrophobicContact CE1-CD2 4.45Å; Y535-F539 AromaticContact CE1-CE2 3.93Å; Y535-F539 HydrophobicContact CE1-CE2 3.93Å; Y535-F539 HydrophobicContact CE1-CZ 4.21Å; F539-A541 PolarHBondContact O-N 3.45Å
540G64.3Low62.8Low40 Ų4073.2 Ų73.241%0.41243%0.428SS..THydrogen-bonded Turntrans70-15.5-171.600000115.9
541A57.7Low59.9Low32 Ų3277.4 Ų77.426%0.26445%0.453SS..PPolyproline II helixtrans-67.9132.1177.500000111.9F539F539-A541 PolarHBondContact O-N 3.45Å
542P62Low57Low88 Ų8881.1 Ų81.157%0.57149%0.485SS*.PPolyproline II helixtrans-65.6161.3170.729.9-35000110.7P544P542-P544 WeakPolarHBondContact O-CD 3.15Å
543N59.1Low54.3Low49 Ų4986 Ų8626%0.26251%0.507SS..PPolyproline II helixtrans-60.1119.6178.8-178.717.4000110.7N463 Q545N463-N543 VanDerWaalsContact OD1-CB 3.3Å; N463-N543 WeakPolarHBondContact OD1-CB 3.24Å; N463-N543 PolarHBondContact OD1-N 3.23Å; N543-Q545 PolarHBondContact O-N 2.91Å
544P51.5Low51.5Low113 Ų11389.2 Ų89.273%0.73453%0.527SS*.  trans-78.514.7-171.932.7-38000114.7P542P542-P544 WeakPolarHBondContact O-CD 3.15Å
545Q41.5Very low48.7Very low119 Ų11995.5 Ų95.556%0.55656%0.557SS**SBendtrans-73.3126.9168.3-69.1-156-20.400109.5N543 I547N543-Q545 PolarHBondContact O-N 2.91Å; Q545-I547 PolarHBondContact O-N 2.57Å
546P31.3Very low45.9Very low118 Ų118100.3 Ų100.377%0.76659%0.59SS**  trans-68.6128.8-173.727.2-34.1000110.8S548P546-S548 PolarHBondContact O-N 3.06Å
547I27.7Very low43.3Very low144 Ų144102.4 Ų102.474%0.73861%0.607SS**  trans-68.3109.5154.5-48.8174.7000105.3Q545 I549Q545-I547 PolarHBondContact O-N 2.57Å; I547-I549 HydrophobicContact CB-CG1 4.09Å; I547-I549 HydrophobicContact CG2-CD1 4.09Å; I547-I549 HydrophobicContact CG2-CG1 3.52Å; I547-I549 PolarHBondContact O-N 2.79Å
548S25.9Very low41Very low107 Ų107109.2 Ų109.275%0.74863%0.631SS**  trans-72.777.3174.355.30000109.8P546 E550P546-S548 PolarHBondContact O-N 3.06Å; S548-E550 PolarHBondContact O-N 2.94Å
549I28.8Very low38.7Very low126 Ų126111.5 Ų111.565%0.64665%0.648SS**  trans-82.169.4170.9-48.1-178.3000108.6I547I547-I549 HydrophobicContact CB-CG1 4.09Å; I547-I549 HydrophobicContact CG2-CD1 4.09Å; I547-I549 HydrophobicContact CG2-CG1 3.52Å; I547-I549 PolarHBondContact O-N 2.79Å
550E27.9Very low36.6Very low169 Ų169119.8 Ų119.879%0.7969%0.687SS**  trans-123.6151.3160.1-67.7-171.6154.800107.7S548S548-E550 PolarHBondContact O-N 2.94Å
551N27.4Very low34.9Very low174 Ų174122.2 Ų122.293%0.9370%0.698SS**SBendtrans69.841.8-174.3-51.6-30.4000116.5
552A28.6Very low33.5Very low87 Ų87127.3 Ų127.372%0.71972%0.72SS**  trans-145.738.5163.800000113.4
553V32Very low32.1Very low137 Ų137129.9 Ų129.983%0.8373%0.729SS**  trans-135.179.7178.7-173.10000110.6
554S28.8Very low30.8Very low122 Ų122132.8 Ų132.885%0.85375%0.749SS**  trans-163.838.2169.6620000113.6
555E32.2Very low29.9Very low188 Ų188135.5 Ų135.588%0.87975%0.752SS**  trans-83.7114160.7-77.4-164.5146.100109.6
556T27.2Very low29.4Very low133 Ų133136.8 Ų136.882%0.81676%0.759SS**  trans46.799.5157.559.10000118.6
557D30Very low29.4Very low125 Ų125137.8 Ų137.867%0.66876%0.758SS**  -158.8144116.2-130.8-20000114.7
558K30.7Very low29.5Very low161 Ų161135.7 Ų135.770%0.776%0.755SS**  trans44.2114.3157.1-69.4141-166.6155.30122.4
559C25.2Very low29.7Very low104 Ų104135.6 Ų135.670%0.70376%0.755SS**  66.1130.9124.4-57.80000122.1
560Q28.6Very low30Very low180 Ų180135.3 Ų135.384%0.84176%0.759SS**  trans50.8133.2130.9-59.8171.50.800119.7
561S29.2Very low30.3Very low91 Ų91134 Ų13464%0.63676%0.762SS**  cis-176.6151.7-1.8480000110.8
562N28.5Very low30.6Very low138 Ų138128.4 Ų128.474%0.73875%0.745SS**  trans74145.8155.1-62.911.1000120.9
563D32Very low30.8Very low142 Ų142132.3 Ų132.376%0.75975%0.754SS**  trans67.7137.1149.7-55.4-20.1000119.9
564V32.7Very low30.9Very low110 Ų110129.6 Ų129.667%0.66775%0.746SS**  cis-161.2163-5.6110.50000111
565E31.4Very low31.2Very low171 Ų171130.7 Ų130.780%0.79974%0.742SS**  trans69.7148.7163.8-94.5161.6-146.700119
566M30.5Very low31.2Very low146 Ų146126.1 Ų126.172%0.71973%0.731SS**  cis-157.6145.74.3-170.6158.8-169.900113.4
567L32.7Very low31.5Very low139 Ų139127.2 Ų127.273%0.72873%0.732SS**  trans58.8108.6167-66.1159.8000118.1
568S29Very low31.8Very low99 Ų99126.6 Ų126.669%0.69274%0.735SS**  70.713868.882.70000114.9
569S31.2Very low31.9Very low106 Ų106126.3 Ų126.374%0.74174%0.739SS**  cis-153.8172.89.645.40000109
570V33.8Very low32.2Very low119 Ų119129.4 Ų129.472%0.72174%0.741SS**  -173.4135.861.61680000109.5
571V35.5Very low32.3Very low142 Ų142127.5 Ų127.586%0.86173%0.732SS**  trans58.6135.9164.6172.80000118
572G33.3Very low32.2Very low56 Ų56128.5 Ų128.558%0.57773%0.734SS**  cis156.9121.3-8.400000113.1
573D33Very low32.4Very low169 Ų169129.8 Ų129.890%0.90474%0.741SS**  trans48.6145.5150.2-50.2-19000121.9
574A34.5Very low32.3Very low80 Ų80130.3 Ų130.366%0.66174%0.744SS**  cis-169.7172-17.700000110
575D33.8Very low32.5Very low146 Ų146129.9 Ų129.978%0.78174%0.744SS**  trans64.5127.9165.2-68.4-45.8000119.1
576S32.9Very low32.5Very low91 Ų91126.2 Ų126.264%0.63674%0.736SS**  cis82.2133.745.588.10000113.1
577D34Very low32.5Very low156 Ų156128.3 Ų128.383%0.83474%0.742SS**  cis-147.3163.52.4-116.4-18.7000111.7
578P35Very low32.4Very low112 Ų112125.9 Ų125.973%0.72774%0.736SS**  trans-112139.2-168.238.5-30.9000117
579I32.7Very low32.6Very low155 Ų155127.4 Ų127.480%0.79574%0.737SS**  trans-139.4109173-66-172.9000114.3
580K31.5Very low32.8Very low170 Ų170130.1 Ų130.174%0.73974%0.741SS**  trans60.1152.1138.6-67176.1136.8-136.10125.3
581E30.9Very low32.8Very low139 Ų139129.6 Ų129.665%0.6574%0.743SS**  trans70.393.9144.8-77.2155.8-134.600119.6
582T27.8Very low32.6Very low112 Ų112127.2 Ų127.269%0.68773%0.733SS**  73.7116.989.356.20000117.1
583N32.1Very low32.5Very low166 Ų166130.2 Ų130.289%0.88874%0.74SS**  176.4163117.9-93-51.1000114.9
584N29.8Very low32.5Very low153 Ų153128 Ų12882%0.81873%0.732SS**  trans-111.4-176.2179.8-106.9-25.4000109.7
585P37.7Very low32.4Very low101 Ų101130.7 Ų130.766%0.65674%0.74SS**  cis-141.9-175.2-42.540.7-23.5000115
586S30.4Very low32.5Very low93 Ų93128.5 Ų128.565%0.6573%0.734SS**  trans88.1157.3139.681.50000123.8
587K31.2Very low32.5Very low191 Ų191131.4 Ų131.483%0.8374%0.743SS**  trans81147.1161.8-67.2172.9-175175.50118.5
588S31.6Very low32.4Very low88 Ų88128 Ų12862%0.61573%0.731SS**  cis-170.8-171.6-12.953.60000112.5
589N32.6Very low32.2Very low130 Ų130130.3 Ų130.370%0.69574%0.737SS**  trans101.2116.4160.3-54.8-9.7000116
590I34.3Very low32.2Very low163 Ų163132.3 Ų132.384%0.83674%0.74SS**  85.6136.671.8-74.4163.8000111.3
591S34Very low32.3Very low108 Ų108128.8 Ų128.876%0.75574%0.735SS**  cis-141.7-167.732.269.10000117.3
592S31.7Very low32.2Very low93 Ų93128 Ų12865%0.6574%0.74SS**  trans-83.8-168.5168.155.80000112.6
593T31.7Very low32.3Very low118 Ų118128.5 Ų128.572%0.72474%0.743SS**  cis-165.3176.422.9-19.30000108.2
594T31.5Very low32.2Very low122 Ų122129 Ų12975%0.74874%0.74SS**  cis-158.8169.27.5-31.10000109.7
595V33.8Very low32.3Very low137 Ų137130.8 Ų130.883%0.8374%0.743SS**  trans-147.7133.9173.8170.10000110.9
596P36.3Very low31.8Very low101 Ų101135.4 Ų135.466%0.65675%0.753SS**  -159.1162.9128.141.7-23.1000119
597D31.5Very low31.9Very low151 Ų151138.5 Ų138.581%0.80776%0.761SS**  trans60.3153.6134.7-68.3-11.2000125.6
598S31.4Very low31.7Very low85 Ų85133.4 Ų133.459%0.59475%0.75SS**  cis-172.2175.2-13.852.80000114.2
599N32.8Very low31.5Very low160 Ų160138.4 Ų138.486%0.85676%0.764SS**  trans104.7149.1151.4-64.5-40.2000123.8
600K30.6Very low31.4Very low197 Ų197137.7 Ų137.786%0.85777%0.769SS**  trans-114.3-160.4-176.1-128.8-169.3178.7179.70109
601P34.5Very low31Very low97 Ų97135.3 Ų135.363%0.6377%0.767SS**  cis-143.817813.141.4-19.6000119.2
602T28.6Very low30.9Very low122 Ų122136.2 Ų136.275%0.74877%0.767SS**  trans59.7163.1150.643.20000120.2
603T31Very low30.6Very low122 Ų122139.2 Ų139.275%0.74878%0.776SS**  cis-138.4-148.522-37.90000113.1
604E28.6Very low30.6Very low177 Ų177140.7 Ų140.783%0.82778%0.779SS**  trans-118.9-164.1-150-58.7174.2102.900116.4
605E32.1Very low30.2Very low190 Ų190142.5 Ų142.589%0.88878%0.784SS**  trans91.4117.2176.9-55-166.1157.700116.1
606K27.6Very low30.2Very low198 Ų198142 Ų14286%0.86178%0.784SS**  cis106.1149.912.9-161.7177.8-177.4-176.50113.8
607L32.6Very low29.6Very low158 Ų158143 Ų14383%0.82779%0.788SS**  trans94.3152.1-172.6-57.6167000114.9
608S27.8Very low29.4Very low85 Ų85142 Ų14259%0.59479%0.788SS**  -179.1138.3-59.146.10000111.2
609E27.5Very low29.4Very low193 Ų193144 Ų14490%0.90280%0.796SS**  trans64.4163160.5-63.4172.6-165.300116.4
610S30Very low28.9Very low115 Ų115144.3 Ų144.380%0.80480%0.798SS**  cis-1411742.256.20000111.8
611S25.7Very low28.9Very low113 Ų113138.2 Ų138.279%0.7979%0.79SS**  trans-104148.2-178.153.40000113.7
612V31.5Very low28.4Very low127 Ų127139 Ų13977%0.7781%0.806SS**  trans-140.8123.7166.9-179.80000110.5
613N26.3Very low28.5Very low156 Ų156138 Ų13883%0.83480%0.804SS**  trans-78.9149.7168.3-70.2-32.3000110.6
614N31Very low28.3Very low148 Ų148139.6 Ų139.679%0.79181%0.813SS**  trans-153.8122.6156-93.1-44.6000112.3
615N23.9Very low28.3Very low160 Ų160137.3 Ų137.386%0.85681%0.811SS**  trans-85.1152.9154.2-72.3-18.1000108.6
616P32.7Very low28.1Very low126 Ų126133 Ų13382%0.81880%0.802SS**  trans-126.1141.8148.835-24.4000112.8
617T23.4Very low28.2Very low122 Ų122131 Ų13175%0.74879%0.793SS**  trans-105.2170.8165.342.10000110
618V27.3Very low28Very low131 Ų131132 Ų13279%0.79479%0.794SS**  trans67.5152.6173.7-132.20000111.5
619V31.3Very low28Very low128 Ų128138.1 Ų138.178%0.77681%0.81SS**  cis-148.4153.321.6-166.70000110.3
620D23.2Very low28.3Very low166 Ų166138.1 Ų138.189%0.88880%0.801SS**  trans-59.7140167.3-70.5-68.3000113
621G30.7Very low28.2Very low68 Ų68143.6 Ų143.670%0.70180%0.804SS**  trans-161.974.3-176.400000113.5S623G621-S623 PolarHBondContact O-N 2.96Å
622A24.3Very low28.7Very low115 Ų115140.1 Ų140.195%0.9578%0.778SS**  trans-64.6116.5176.800000111.5
623S29.8Very low28.8Very low101 Ų101142 Ų14271%0.70678%0.778SS**  trans-130.7138169.762.80000111G621 V625G621-S623 PolarHBondContact O-N 2.96Å; S623-V625 PolarHBondContact O-N 3.47Å
624T26.9Very low29.1Very low154 Ų154138.6 Ų138.695%0.94576%0.76SS**  trans-87.587.4-167.235.50000112.6
625V29.6Very low29.3Very low129 Ų129135.3 Ų135.378%0.78275%0.745SS**  trans-76.6125.8172.6-176.40000110.8S623 K627S623-V625 PolarHBondContact O-N 3.47Å; V625-K627 PolarHBondContact O-N 2.98Å
626S27.2Very low30.3Very low101 Ų101132.1 Ų132.171%0.70673%0.732SS**  trans-71.2122.2-179.953.70000112.7Q628S626-Q628 PolarHBondContact O-N 2.89Å
627K30.5Very low30.7Very low154 Ų154129 Ų12967%0.6771%0.708SS**  trans-62.596.4175.2-72.5-169.7178.2-170.40112E7 V625E7-K627 IonicContact OE1-NZ 2.93Å; E7-K627 PolarHBondContact OE1-NZ 3.31Å; E7-K627 IonicContact OE2-NZ 3.04Å; E7-K627 PolarHBondContact OE2-NZ 2.89Å; V625-K627 PolarHBondContact O-N 2.98Å
628Q26.8Very low31.3Very low181 Ų181128 Ų12885%0.84670%0.701SS**  trans-71.9128.2160.7-77.2-170.3-18.600109.7S626 R630S626-Q628 PolarHBondContact O-N 2.89Å; Q628-R630 PolarHBondContact O-N 3.01Å; Q628-R630 VanDerWaalsContact O-N 3.12Å
629K28.1Very low31.5Very low213 Ų213125.2 Ų125.293%0.92669%0.688SS**  trans-70.6104.9173.9-75.8-174.7174.7-179.50110.4
630R33.3Very low31.3Very low193 Ų193127 Ų12773%0.72869%0.685SS**  trans-75.7138.3173.2-160.9173.6-176.7-177-1.7110.3Q628Q628-R630 PolarHBondContact O-N 3.01Å; Q628-R630 VanDerWaalsContact O-N 3.12Å
631R29.1Very low31.7Very low229 Ų229124.3 Ų124.386%0.86468%0.68SS**  trans-95.5112.2177.9-177.5179.1-178.3177.30.3109.6
632V36.1Very low31.5Very low40 Ų40128.5 Ų128.524%0.24269%0.686CS.*PPolyproline II helixtrans-63133171.2-177.60000109.1F3F3-V632 HydrophobicContact CE2-CB 4.44Å; F3-V632 HydrophobicContact CE2-CG2 4.2Å; F3-V632 HydrophobicContact CZ-CB 4Å; F3-V632 HydrophobicContact CZ-CG2 4.25Å
633Q34.1Very low31.7Very low166 Ų166125.8 Ų125.878%0.77667%0.669SS**PPolyproline II helixtrans-92.3127.1169.8-75.7-176.3-49.500109.4
634L32Very low31.5Very low86 Ų86128.4 Ų128.445%0.4568%0.675SS.*PPolyproline II helixtrans-93.9128.7169.6-175.477.9000108.7M1 Q491 V492M1-L634 HydrophobicContact SD-CD1 3.65Å; M1-L634 HydrophobicContact SD-CD2 4.25Å; Q491-L634 WeakPolarHBondContact O-CD1 3.44Å; V492-L634 HydrophobicContact CG2-CD1 3.95Å
635T34.4Very low31.7Very low78 Ų78129 Ų12948%0.47967%0.671SS.*EExtended strand (participates in β ladder)trans-110.7102.8170.9-56.10000109.1L637T635-L637 HydrophobicContact CG2-CD2 3.85Å; T635-L637 HydrophobicContact CG2-CG 4.42Å; T635-L637 PolarHBondContact O-N 2.79Å
636T46.1Very low31.7Very low94 Ų94129.3 Ų129.358%0.57767%0.673SS**EExtended strand (participates in β ladder)trans-72.4115.1164.8-55.90000108V638T636-V638 PolarHBondContact O-N 2.87Å
637L41.1Very low31.8Very low60 Ų60127.9 Ų127.931%0.31467%0.674SS.*  trans-82.299.8-178.7-67.3170.2000109.3P488 T635 S639P488-L637 HydrophobicContact CB-CD1 4.44Å; P488-L637 HydrophobicContact CG-CD1 3.81Å; T635-L637 HydrophobicContact CG2-CD2 3.85Å; T635-L637 HydrophobicContact CG2-CG 4.42Å; T635-L637 PolarHBondContact O-N 2.79Å; L637-S639 PolarHBondContact O-N 3.43Å
638V34.7Very low31.9Very low100 Ų100128.9 Ų128.961%0.60669%0.687SS**  trans-73.9116.7174.5-167.60000108.2T636 F640T636-V638 PolarHBondContact O-N 2.87Å; V638-F640 VanDerWaalsContact C-N 3.32Å; V638-F640 HydrophobicContact CB-CD2 4.22Å; V638-F640 HydrophobicContact CB-CE2 3.85Å; V638-F640 HydrophobicContact CG1-CD2 4.27Å; V638-F640 HydrophobicContact CG1-CE2 3.88Å; V638-F640 HydrophobicContact CG1-CZ 4.14Å; V638-F640 PolarHBondContact O-N 3.25Å
639S32.2Very low32Very low73 Ų73125.5 Ų125.551%0.5168%0.683SS.*  trans-74.183.5177.858.10000110.7L637 S641L637-S639 PolarHBondContact O-N 3.43Å; S639-S641 PolarHBondContact O-N 3.06Å
640F26.4Very low32.2Very low165 Ų165127.1 Ų127.172%0.72468%0.684SS**  trans-69.7114.7163.7-70.3-79.5000108.7V638 D642V638-F640 VanDerWaalsContact C-N 3.32Å; V638-F640 HydrophobicContact CB-CD2 4.22Å; V638-F640 HydrophobicContact CB-CE2 3.85Å; V638-F640 HydrophobicContact CG1-CD2 4.27Å; V638-F640 HydrophobicContact CG1-CE2 3.88Å; V638-F640 HydrophobicContact CG1-CZ 4.14Å; V638-F640 PolarHBondContact O-N 3.25Å; F640-D642 PolarHBondContact O-N 3.48Å
641S31.4Very low32Very low110 Ų110123.9 Ų123.977%0.76969%0.685SS**  trans-77.2108.9160.554.80000107.5S639 G643S639-S641 PolarHBondContact O-N 3.06Å; S641-G643 PolarHBondContact O-N 3.04Å
642D27.7Very low32.1Very low157 Ų157120.4 Ų120.484%0.8468%0.684SS**  trans-69.677.4-178.7-73.9-36.8000112F640F640-D642 PolarHBondContact O-N 3.48Å
643G28.4Very low31.6Very low57 Ų57126.1 Ų126.159%0.58871%0.713SS**  trans-80120.6159.500000109.1S641 I645S641-G643 PolarHBondContact O-N 3.04Å; G643-I645 PolarHBondContact O-N 2.75Å
644N26Very low31.6Very low157 Ų157124.1 Ų124.184%0.8472%0.717SS**  trans-54.4110.6177.3-80.8-47.2000111.6
645I30.6Very low31.4Very low167 Ų167128.7 Ų128.786%0.85674%0.737SS**  trans-106.881.6166.4-56.3-179.4000108.5G643G643-I645 PolarHBondContact O-N 2.75Å
646T30.2Very low31.3Very low134 Ų134133.2 Ų133.282%0.82276%0.756SS**  trans-94.5134.3158.1490000108.3
647G29.7Very low30.4Very low71 Ų71134 Ų13473%0.73277%0.766SS**  trans136.439.8177.800000116.6S649G647-S649 PolarHBondContact O-N 3.35Å
648N31.8Very low30Very low176 Ų176140.9 Ų140.994%0.94179%0.793SS**  trans-77.8109.8162.9-135.40.6000107.9R650N648-R650 PolarHBondContact O-N 3.07Å
649S29.6Very low29.7Very low110 Ų110145.8 Ų145.877%0.76981%0.806SS**  trans-78.6116.7-170.247.20000112.4G647G647-S649 PolarHBondContact O-N 3.35Å
650R30.9Very low29.6Very low247 Ų247150.1 Ų150.193%0.93282%0.823SS**  trans-149.2140.8152.5-109.3162.3-162.2-168.22.3110.2N648N648-R650 PolarHBondContact O-N 3.07Å
651T28.8Very low29.9Very low124 Ų124147.8 Ų147.876%0.76182%0.824SS**  trans-69.4133.4-17846.40000111.3
652D31Very low29.7Very low157 Ų157149.9 Ų149.984%0.8483%0.827SS**  -164.2157.6120-97.6-29.8000111.8
653N27.5Very low30Very low159 Ų159150.6 Ų150.685%0.8583%0.831SS**  trans-100.2125.4-169.8-66.2-72.4000112.6
654S32.6Very low30.1Very low124 Ų124152.8 Ų152.887%0.86784%0.837SS**  trans-164.4158.9137.450.70000111.5
655Q29.3Very low30.4Very low183 Ų183152.9 Ų152.986%0.85584%0.837SS**  trans-93.7148.1-174.2-59.7169-3.400111.4
656I31.2Very low30.3Very low172 Ų172154.7 Ų154.788%0.88284%0.839SS**  -179.2135.4121-93.1153.8000108.8
657S27Very low30.2Very low112 Ų112159.2 Ų159.278%0.78384%0.841SS**  trans-128.8135.8-177.159.90000112
658K32.5Very low30.4Very low204 Ų204161.9 Ų161.989%0.88785%0.846SS**  trans-134.4135.1160.9-75.6-171.7174.9179.80109.6
659K29.4Very low30.5Very low202 Ų202159.8 Ų159.888%0.87884%0.839SS**  trans-92.7149.9178.8-63.7179.3176.6-178.60110.6
660L30.5Very low30.5Very low165 Ų165162.5 Ų162.586%0.86485%0.845SS**  trans-127164.6148.6-93.7100.6000109.2
661P32.7Very low30.5Very low116 Ų116158.7 Ų158.775%0.75384%0.843SS**PPolyproline II helixtrans-82.3163.5-155.5-14.831.5000115.9
662N27.1Very low30.6Very low153 Ų153161.9 Ų161.982%0.81885%0.846SS**PPolyproline II helixtrans-78.6130.8157.5-62.1-13.8000108.8
663D32.6Very low30.6Very low173 Ų173159.2 Ų159.293%0.92585%0.846SS**PPolyproline II helixtrans-99136148.9-90.7-46.9000108.4
664S30.8Very low30.7Very low103 Ų103158.3 Ų158.372%0.7284%0.841SS**  trans-135.1103.7-174.661.90000111.2
665D32.4Very low30.6Very low158 Ų158161.1 Ų161.185%0.84584%0.838SS**  trans-160.8117.6156.4-112.1-29.1000111.9
666F29.6Very low30.7Very low206 Ų206161.8 Ų161.890%0.90484%0.838SS**  trans170.797.8135.8-109.6-81.2000109.4
667R28.2Very low30.7Very low228 Ų228159.5 Ų159.586%0.8682%0.824SS**PPolyproline II helixtrans-84.4135.7168-78.3-179169-176.8-3.5110.2
668P33.6Very low30.7Very low128 Ų128163.3 Ų163.383%0.83183%0.829SS**PPolyproline II helixtrans-65.2139.7161.129.6-33.1000109.5
669T33.5Very low30.8Very low131 Ų131161 Ų16180%0.80482%0.819SS**PPolyproline II helixtrans-83.2125.3-174.838.10000112.4L671T669-L671 PolarHBondContact O-N 2.9Å; T669-L671 VanDerWaalsContact O-N 3.12Å
670N29.4Very low30.8Very low167 Ų167158.4 Ų158.489%0.89382%0.815SS**  trans-64.1109.5169.5-87.6-30.9000110.4K672N670-K672 PolarHBondContact O-N 3.39Å
671L31.8Very low30.9Very low168 Ų168158.7 Ų158.788%0.8882%0.815SS**  trans-75.7108.5165.7-84.9164.5000109.1T669 A673T669-L671 PolarHBondContact O-N 2.9Å; T669-L671 VanDerWaalsContact O-N 3.12Å; L671-A673 PolarHBondContact O-N 3.41Å
672K30.9Very low30.8Very low190 Ų190159.8 Ų159.883%0.82681%0.813SS**  trans-60.2133.6172.2-72.3-173.5174.2-174.10110N670 N674N670-K672 PolarHBondContact O-N 3.39Å; K672-N674 PolarHBondContact O-N 3.07Å
673A29.7Very low30.8Very low102 Ų102159.7 Ų159.784%0.84381%0.808SS**  trans-71.6111.3170.600000109.9L671 K675L671-A673 PolarHBondContact O-N 3.41Å; A673-K675 PolarHBondContact O-N 3.06Å
674N30.4Very low30.8Very low139 Ų139159.5 Ų159.574%0.74381%0.805SS**  trans-79.2107.9165.1-79.1-3.5000108.6K672 F676K672-N674 PolarHBondContact O-N 3.07Å; N674-F676 PolarHBondContact O-N 3.3Å
675K29.3Very low30.7Very low184 Ų184162.7 Ų162.780%0.881%0.806SS**  trans-55.6128.9155.1-89-175.1168.8-172.30108.1A673A673-K675 PolarHBondContact O-N 3.06Å
676F31.4Very low30.8Very low197 Ų197163.1 Ų163.186%0.86481%0.808SS**  trans-107.7127.3149.7-105.6-93.2000106.9N674N674-F676 PolarHBondContact O-N 3.3Å
677E31.8Very low30.9Very low123 Ų123158.4 Ų158.458%0.57580%0.801SS**  trans-82.4122.5175.1-64.4-172.115300109K679E677-K679 WeakPolarHBondContact OE2-CE 3.26Å; E677-K679 IonicContact OE2-NZ 2.65Å; E677-K679 PolarHBondContact OE2-NZ 3.12Å
678E27.5Very low31.4Very low192 Ų192153.6 Ų153.690%0.89780%0.802SS**  trans-74.5126162-171.3162.7-137.700107.7
679K33.5Very low31.4Very low157 Ų157153.8 Ų153.868%0.68380%0.801SS**  trans-140.1115179.4-90.3175.7172.4153.90109.9E677E677-K679 WeakPolarHBondContact OE2-CE 3.26Å; E677-K679 IonicContact OE2-NZ 2.65Å; E677-K679 PolarHBondContact OE2-NZ 3.12Å
680D29.4Very low31.9Very low147 Ų147153.3 Ų153.379%0.78680%0.804SS**  trans-61.3137172.4-52.3-84.6000111.4
681I32.7Very low32.1Very low170 Ų170153.9 Ų153.987%0.87280%0.801SS**  trans-132.6126.1153.2-61.5-175.2000107.5
682I31.5Very low32.6Very low139 Ų139151.1 Ų151.171%0.71380%0.795SS**  trans-92.3161-175.4-70.4170.9000110.1
683E26Very low33.1Very low151 Ų151150.8 Ų150.871%0.70680%0.799SS**  trans-5.9146.6171.1-61.5-176106.100119.9
684I33.6Very low34.1Very low169 Ų169156.3 Ų156.387%0.86782%0.823SS**  -154.2141.9115.5-101.4150.4000109
685K28.8Very low34.3Very low170 Ų170157.2 Ų157.274%0.73983%0.827SS**  trans-83.1147.9169.1-64.4167.1-177.1162.30108.8
686D33.9Very low34.6Very low167 Ų167155.7 Ų155.789%0.89383%0.828SS**  trans-155.9157.8130.8-119.2-29000113.1
687S31.6Very low34.7Very low108 Ų108153.4 Ų153.476%0.75583%0.826SS**  trans-126.5131.6-176.7600000111.3
688S38.3Very low34.9Very low126 Ų126155.2 Ų155.288%0.88184%0.841SS**  trans-143.6142.9161.157.50000111.7
689T35.4Very low35.4Very low132 Ų132152.9 Ų152.981%0.8184%0.837SS**  trans-105.5143.1-173.5-54.10000109.8
690S42.6Very low35.5Very low122 Ų122152.7 Ų152.785%0.85385%0.847SS**  trans-127.6120.6161.953.50000111.1
691Q34.6Very low35.9Very low179 Ų179153.1 Ų153.184%0.83685%0.852SS**  trans-104.6142163-67.8179.7-1600107.9
692S40.8Very low36.2Very low109 Ų109151.8 Ų151.876%0.76285%0.85SS**  168.8129.8116.458.80000113.1
693M42.8Very low36.6Very low183 Ų183152.8 Ų152.890%0.90186%0.862SS**  trans43.7107144.1-59.1179.1-177.400119.7
694T50.4Low37.5Very low218 Ų218153 Ų153100%1.33788%0.876SS**  -135.30100.4-12.10000109.6

Retrieved 694 of 694 residues in 607.1 ms (Link to these results)

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