G4M0J1_SCHMA Loading...

GFO_IDH_MocA domain-containing protein

AlphaFold DB , UniProt , Accession G4M0J1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 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
1M51.7Low83.4Confident165 Ų16545 Ų4581%0.81323%0.23SC*.  0135.60-85.3167.5159.200106.9S3 K442M1-S3 PolarHBondContact O-N 3.02Å; M1-K442 HydrophobicContact CE-CG 3.78Å
2N64.8Low82.8Confident155 Ų15541.7 Ų41.783%0.82921%0.213SC*.PPolyproline II helixtrans-75.4122.4175.2-72.2-4.8000107.1
3S83.1Confident82Confident50 Ų5042.5 Ų42.535%0.3522%0.215SC..PPolyproline II helixtrans-61.7140.2173.856.70000109.6M1 D27M1-S3 PolarHBondContact O-N 3.02Å; S3-D27 CarbonylContact C-O 3.47Å; S3-D27 WeakPolarHBondContact CA-O 3.49Å
4I88.6Confident81.7Confident1 Ų139.6 Ų39.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-78.9138.6174.766.4176.4000110.2D27 V28 N29 F67 L440 T441 F444I4-D27 PolarHBondContact N-O 3.09Å; I4-V28 HydrophobicContact CD1-CG1 4.4Å; I4-V28 HydrophobicContact CD1-CG2 3.99Å; I4-V28 HydrophobicContact CG1-CB 4.28Å; I4-V28 HydrophobicContact CG1-CG1 4.14Å; I4-V28 HydrophobicContact CG1-CG2 4.01Å; I4-N29 PolarHBondContact O-N 2.95Å; I4-F67 HydrophobicContact CB-CD2 4.06Å; I4-F67 HydrophobicContact CB-CE2 4.02Å; I4-F67 HydrophobicContact CD1-CD2 3.81Å; I4-F67 HydrophobicContact CD1-CE2 3.86Å; I4-F67 HydrophobicContact CG1-CD2 4.36Å; I4-F67 HydrophobicContact CG2-CE2 3.96Å; I4-L440 HydrophobicContact CD1-CD2 3.26Å; I4-T441 HydrophobicContact CD1-CG2 3.81Å; I4-T441 HydrophobicContact CG1-CG2 4.08Å; I4-T441 HydrophobicContact CG2-CG2 4.34Å; I4-F444 HydrophobicContact CG2-CB 4.21Å; I4-F444 HydrophobicContact CG2-CD1 4.13Å; I4-F444 HydrophobicContact CG2-CG 4.03Å
5N91.8Very high81.6Confident41 Ų4137 Ų3722%0.21919%0.188CC..EExtended strand (participates in β ladder)trans-89.6119.1173.3-74.2-14.9000110N29 I31 D64 Q66 F67N5-N29 WeakPolarHBondContact CA-O 3.47Å; N5-N29 PolarHBondContact OD1-ND2 2.79Å; N5-I31 HydrophobicContact CB-CD1 4.07Å; N5-I31 HydrophobicContact CB-CG1 4.5Å; N5-I31 HydrophobicContact CB-CG2 4.23Å; N5-D64 WeakPolarHBondContact CB-O 2.92Å; N5-D64 PolarHBondContact ND2-O 3.16Å; N5-Q66 HydrophobicContact CB-CG 4.49Å; N5-Q66 WeakPolarHBondContact O-CB 3.5Å; N5-Q66 PolarHBondContact O-N 3.24Å; N5-F67 PolarHBondContact O-N 2.88Å; N5-F67 VanDerWaalsContact O-N 3.13Å
6A93.5Very high81.4Confident0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-124.4142.3-176.500000112.2V28 N29 I30 I31 F67 F69A6-V28 HydrophobicContact CB-CG1 4.17Å; A6-N29 PolarHBondContact N-O 2.94Å; A6-I30 CarbonylContact O-C 3.56Å; A6-I30 WeakPolarHBondContact O-CA 3.4Å; A6-I31 VanDerWaalsContact O-CG1 3.29Å; A6-I31 WeakPolarHBondContact O-CG1 3.38Å; A6-I31 PolarHBondContact O-N 3.13Å; A6-F67 WeakPolarHBondContact CA-O 3.42Å; A6-F67 HydrophobicContact CB-CB 4.37Å; A6-F69 HydrophobicContact CB-CD2 3.89Å; A6-F69 HydrophobicContact CB-CE2 3.54Å
7V94Very high81.1Confident0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-111.7135.9163.71700000108.5I31 G32 W34 I52 L59 I65 F67 L68 F69V7-I31 HydrophobicContact CG2-CD1 3.97Å; V7-I31 HydrophobicContact CG2-CG1 3.69Å; V7-G32 WeakPolarHBondContact CA-O 3.42Å; V7-W34 HydrophobicContact CG1-CB 4.37Å; V7-I52 HydrophobicContact CB-CD1 4.49Å; V7-I52 HydrophobicContact CG1-CD1 3.97Å; V7-I52 HydrophobicContact CG2-CD1 3.62Å; V7-L59 HydrophobicContact CG1-CD2 4.45Å; V7-I65 HydrophobicContact CB-CD1 4.36Å; V7-I65 HydrophobicContact CB-CG2 4.25Å; V7-I65 HydrophobicContact CG2-CD1 3.66Å; V7-I65 HydrophobicContact CG2-CG1 3.98Å; V7-I65 HydrophobicContact CG2-CG2 4.09Å; V7-F67 PolarHBondContact N-O 3.49Å; V7-L68 HydrophobicContact CB-CD2 3.77Å; V7-L68 HydrophobicContact CG1-CD2 3.88Å; V7-L68 WeakPolarHBondContact O-CA 3.33Å; V7-F69 PolarHBondContact O-N 2.89Å
8V91.9Very high81.2Confident0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-103.7129.7175.1-171.40000108.9T15 V18 I19 L22 I30 G32 Y33 W34 F69V8-T15 HydrophobicContact CG1-CG2 3.65Å; V8-V18 HydrophobicContact CG1-CG1 4.29Å; V8-I19 HydrophobicContact CB-CD1 4.48Å; V8-I19 HydrophobicContact CB-CG1 4.06Å; V8-I19 HydrophobicContact CG1-CD1 4.48Å; V8-I19 HydrophobicContact CG1-CG1 4.02Å; V8-I19 HydrophobicContact CG2-CG1 4.05Å; V8-L22 HydrophobicContact CG2-CD1 3.74Å; V8-I30 HydrophobicContact CG2-CG2 4.21Å; V8-G32 PolarHBondContact N-O 3.38Å; V8-Y33 WeakPolarHBondContact O-CA 3.09Å; V8-W34 PolarHBondContact O-N 3.23Å; V8-F69 HydrophobicContact CG1-CB 4.5Å; V8-F69 HydrophobicContact CG2-CD2 4.4Å
9C90.7Very high81.4Confident0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-115.8135.8-177.5-57.80000110.5W34 F69 L70 C71C9-W34 WeakPolarHBondContact CA-O 3.19Å; C9-W34 HydrophobicContact CB-CE3 4.13Å; C9-F69 PolarHBondContact N-O 3.45Å; C9-L70 HydrophobicContact CB-CD2 3.56Å; C9-C71 CarbonylContact O-C 3.59Å; C9-C71 PolarHBondContact O-N 2.98Å
10G87.2Confident81.3Confident0 Ų029.9 Ų29.90%015%0.15CC..  trans138.8173.9178.800000110.9Y33 W34G10-Y33 WeakPolarHBondContact O-CE2 3.36Å; G10-Y33 PolarHBondContact O-OH 3.49Å; G10-W34 PolarHBondContact N-O 3.44Å
11W79.8Confident81.3Confident83 Ų8328.5 Ų28.531%0.31414%0.144SC..  trans-137.76.7-177.264.2-79.6000113.5T15 Y33 C35 N40 I42 D72 N76W11-T15 PolarHBondContact N-OG1 3.46Å; W11-Y33 WeakPolarHBondContact CA-OH 3.33Å; W11-C35 HydrophobicContact CB-CB 4.06Å; W11-N40 HydrophobicContact CB-CB 4.5Å; W11-N40 HydrophobicContact CE3-CB 4.12Å; W11-I42 VanDerWaalsContact O-CG1 3.3Å; W11-I42 WeakPolarHBondContact O-CG1 3.46Å; W11-D72 PolarHBondContact NE1-OD1 2.89Å; W11-D72 VanDerWaalsContact NE1-OD1 3.09Å; W11-D72 PolarHBondContact NE1-OD2 3.2Å; W11-N76 PolarHBondContact NE1-ND2 3.49Å
12N76.5Confident82.9Confident5 Ų520.7 Ų20.73%0.02711%0.105CC..SBendtrans-103.2171-173.268.937.5000111.8I14 T15 A16 I42 D72 W192N12-I14 PolarHBondContact O-N 3.22Å; N12-I14 VanDerWaalsContact O-N 3.09Å; N12-I14 WeakPolarHBondContact OD1-CA 3.08Å; N12-I14 VanDerWaalsContact OD1-CB 3.23Å; N12-I14 WeakPolarHBondContact OD1-CB 3.44Å; N12-I14 PolarHBondContact OD1-N 3.49Å; N12-T15 PolarHBondContact N-OG1 3.18Å; N12-T15 WeakPolarHBondContact O-CA 3.49Å; N12-T15 WeakPolarHBondContact O-CB 3.38Å; N12-T15 PolarHBondContact O-N 3.44Å; N12-T15 PolarHBondContact O-OG1 3.2Å; N12-T15 PolarHBondContact OD1-N 3.4Å; N12-T15 VanDerWaalsContact OD1-N 3.14Å; N12-T15 PolarHBondContact OD1-OG1 3.09Å; N12-A16 PolarHBondContact O-N 3.36Å; N12-I42 WeakPolarHBondContact O-CD1 3.41Å; N12-D72 WeakPolarHBondContact ND2-CA 2.54Å; N12-W192 HydrophobicContact CB-CZ2 4.11Å
13Q73Confident83.8Confident52 Ų5218.4 Ų18.424%0.2439%0.085CC..Hα-helixtrans-56.8-25179.666.7-147.3-10.200114.8A16 S17 P292Q13-A16 PolarHBondContact O-N 3.41Å; Q13-S17 PolarHBondContact O-N 3.19Å; Q13-S17 PolarHBondContact O-OG 2.92Å; Q13-P292 HydrophobicContact CB-CB 4.02Å; Q13-P292 HydrophobicContact CB-CG 3.97Å
14I77.1Confident83.6Confident3 Ų322.3 Ų22.32%0.0159%0.092CC..Hα-helixtrans-70.1-40.6174.5-63.4173.2000110N12 A16 S17 V18 P109 W192 M206 F296N12-I14 PolarHBondContact O-N 3.22Å; N12-I14 VanDerWaalsContact O-N 3.09Å; N12-I14 WeakPolarHBondContact OD1-CA 3.08Å; N12-I14 VanDerWaalsContact OD1-CB 3.23Å; N12-I14 WeakPolarHBondContact OD1-CB 3.44Å; N12-I14 PolarHBondContact OD1-N 3.49Å; I14-A16 VanDerWaalsContact C-N 3.28Å; I14-A16 PolarHBondContact O-N 3.45Å; I14-S17 PolarHBondContact O-N 2.75Å; I14-S17 VanDerWaalsContact O-N 3.13Å; I14-V18 HydrophobicContact CG2-CG2 4.26Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.4Å; I14-P109 VanDerWaalsContact CD1-CD 3.41Å; I14-P109 HydrophobicContact CD1-CG 4.43Å; I14-W192 HydrophobicContact CD1-CH2 3.59Å; I14-W192 HydrophobicContact CD1-CZ2 3.83Å; I14-W192 HydrophobicContact CG1-CZ2 4.35Å; I14-M206 HydrophobicContact CD1-CE 3.8Å; I14-M206 HydrophobicContact CD1-SD 3.98Å; I14-F296 HydrophobicContact CG2-CE2 4.04Å; I14-F296 HydrophobicContact CG2-CZ 3.79Å
15T81.1Confident83.4Confident0 Ų023.4 Ų23.40%010%0.097CC..Hα-helixtrans-55.6-44.4174.8-37.70000111.3V8 W11 N12 S17 V18 I19 Y33 C71V8-T15 HydrophobicContact CG1-CG2 3.65Å; W11-T15 PolarHBondContact N-OG1 3.46Å; N12-T15 PolarHBondContact N-OG1 3.18Å; N12-T15 WeakPolarHBondContact O-CA 3.49Å; N12-T15 WeakPolarHBondContact O-CB 3.38Å; N12-T15 PolarHBondContact O-N 3.44Å; N12-T15 PolarHBondContact O-OG1 3.2Å; N12-T15 PolarHBondContact OD1-N 3.4Å; N12-T15 VanDerWaalsContact OD1-N 3.14Å; N12-T15 PolarHBondContact OD1-OG1 3.09Å; T15-S17 PolarHBondContact O-N 3.11Å; T15-V18 PolarHBondContact O-N 3.12Å; T15-I19 HydrophobicContact CG2-CD1 4.41Å; T15-I19 WeakPolarHBondContact O-CG1 3.44Å; T15-I19 PolarHBondContact O-N 2.92Å; T15-Y33 HydrophobicContact CG2-CD2 4.27Å; T15-Y33 HydrophobicContact CG2-CE2 3.78Å; T15-C71 HydrophobicContact CG2-CB 4.29Å; T15-C71 PolarHBondContact OG1-O 2.84Å
16A77.3Confident83.1Confident1 Ų129.1 Ų29.11%0.00812%0.12CC..Hα-helixtrans-61.3-43.9176.300000112.5N12 Q13 I14 V18 I19 K20 I42 D45N12-A16 PolarHBondContact O-N 3.36Å; Q13-A16 PolarHBondContact O-N 3.41Å; I14-A16 VanDerWaalsContact C-N 3.28Å; I14-A16 PolarHBondContact O-N 3.45Å; A16-V18 PolarHBondContact O-N 3.49Å; A16-I19 PolarHBondContact O-N 3.28Å; A16-K20 WeakPolarHBondContact O-CG 3.38Å; A16-K20 PolarHBondContact O-N 3.36Å; A16-I42 HydrophobicContact CB-CD1 4.07Å; A16-I42 HydrophobicContact CB-CG2 4.12Å; A16-D45 HydrophobicContact CB-CB 3.98Å
17S77Confident82.7Confident2 Ų231.8 Ų31.81%0.01413%0.134CC..Hα-helixtrans-66.8-36.6178.3-60.50000112.7Q13 I14 T15 K20 M21 P292Q13-S17 PolarHBondContact O-N 3.19Å; Q13-S17 PolarHBondContact O-OG 2.92Å; I14-S17 PolarHBondContact O-N 2.75Å; I14-S17 VanDerWaalsContact O-N 3.13Å; T15-S17 PolarHBondContact O-N 3.11Å; S17-K20 PolarHBondContact O-N 2.94Å; S17-M21 VanDerWaalsContact O-CB 3.31Å; S17-M21 WeakPolarHBondContact O-CB 3.48Å; S17-M21 PolarHBondContact O-N 3.28Å; S17-P292 PolarHBondContact OG-O 3.1Å
18V82.4Confident82.5Confident1 Ų132.4 Ų32.41%0.00614%0.138CC..Hα-helixtrans-64.7-41.9172.6170.50000111.2V8 I14 T15 A16 M21 L22 C71 L107 F296V8-V18 HydrophobicContact CG1-CG1 4.29Å; I14-V18 HydrophobicContact CG2-CG2 4.26Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.4Å; T15-V18 PolarHBondContact O-N 3.12Å; A16-V18 PolarHBondContact O-N 3.49Å; V18-M21 HydrophobicContact CB-CE 4.36Å; V18-M21 HydrophobicContact CG1-CE 3.97Å; V18-M21 HydrophobicContact CG2-CE 4.29Å; V18-M21 WeakPolarHBondContact O-CB 3.32Å; V18-M21 PolarHBondContact O-N 3.5Å; V18-L22 HydrophobicContact CG1-CD1 3.76Å; V18-L22 HydrophobicContact CG1-CG 4.19Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.22Å; V18-C71 HydrophobicContact CG2-CB 4.32Å; V18-L107 HydrophobicContact CB-CD2 4.47Å; V18-L107 HydrophobicContact CG1-CD2 3.98Å; V18-L107 HydrophobicContact CG2-CD2 3.61Å; V18-F296 HydrophobicContact CG2-CZ 4.38Å
19I84.5Confident82.5Confident0 Ų035.8 Ų35.80%016%0.156CC..Hα-helixtrans-61.8-49.6175.5-73.1169.7000110.9V8 T15 A16 M21 L22 R23 I30 Y33 V46 I49V8-I19 HydrophobicContact CB-CD1 4.48Å; V8-I19 HydrophobicContact CB-CG1 4.06Å; V8-I19 HydrophobicContact CG1-CD1 4.48Å; V8-I19 HydrophobicContact CG1-CG1 4.02Å; V8-I19 HydrophobicContact CG2-CG1 4.05Å; T15-I19 HydrophobicContact CG2-CD1 4.41Å; T15-I19 WeakPolarHBondContact O-CG1 3.44Å; T15-I19 PolarHBondContact O-N 2.92Å; A16-I19 PolarHBondContact O-N 3.28Å; I19-M21 PolarHBondContact O-N 3.19Å; I19-L22 PolarHBondContact O-N 3.42Å; I19-R23 HydrophobicContact CG2-CG 4.42Å; I19-R23 WeakPolarHBondContact O-CB 2.91Å; I19-R23 WeakPolarHBondContact O-CG 3.41Å; I19-R23 PolarHBondContact O-N 3.22Å; I19-I30 HydrophobicContact CG2-CD1 4.34Å; I19-Y33 HydrophobicContact CD1-CD2 3.79Å; I19-Y33 HydrophobicContact CD1-CE2 4.32Å; I19-V46 HydrophobicContact CD1-CG1 4.16Å; I19-V46 HydrophobicContact CD1-CG2 4.4Å; I19-I49 HydrophobicContact CD1-CD1 4.45Å; I19-I49 HydrophobicContact CG1-CD1 4.47Å; I19-I49 HydrophobicContact CG2-CD1 3.33Å
20K79.4Confident82.5Confident38 Ų3836.8 Ų36.817%0.16516%0.161CC..Hα-helixtrans-55.6-39.2175.8-77.2177.9176.4173.30111.1A16 S17 D45 E293A16-K20 WeakPolarHBondContact O-CG 3.38Å; A16-K20 PolarHBondContact O-N 3.36Å; S17-K20 PolarHBondContact O-N 2.94Å; K20-D45 WeakPolarHBondContact CE-OD1 3.32Å; K20-D45 VanDerWaalsContact CE-OD2 3.31Å; K20-D45 WeakPolarHBondContact CE-OD2 3.48Å; K20-D45 IonicContact NZ-OD1 3.43Å; K20-D45 PolarHBondContact NZ-OD1 3.29Å; K20-D45 IonicContact NZ-OD2 2.76Å; K20-D45 PolarHBondContact NZ-OD2 2.92Å; K20-E293 HydrophobicContact CD-CG 4.41Å; K20-E293 IonicContact NZ-OE1 3.82Å; K20-E293 PolarHBondContact NZ-OE1 3.36Å
21M81.1Confident82.7Confident1 Ų139.1 Ų39.11%0.00517%0.173CC..Hα-helixtrans-63.4-58.9176.3162.4176.98600112.3S17 V18 I19 R23 R24 H25 L107 Y297 W433 I437S17-M21 VanDerWaalsContact O-CB 3.31Å; S17-M21 WeakPolarHBondContact O-CB 3.48Å; S17-M21 PolarHBondContact O-N 3.28Å; V18-M21 HydrophobicContact CB-CE 4.36Å; V18-M21 HydrophobicContact CG1-CE 3.97Å; V18-M21 HydrophobicContact CG2-CE 4.29Å; V18-M21 WeakPolarHBondContact O-CB 3.32Å; V18-M21 PolarHBondContact O-N 3.5Å; I19-M21 PolarHBondContact O-N 3.19Å; M21-R23 PolarHBondContact O-N 3.29Å; M21-R24 WeakPolarHBondContact O-CB 3.07Å; M21-R24 PolarHBondContact O-N 3.29Å; M21-H25 PolarHBondContact O-CD2 3.5Å; M21-H25 VanDerWaalsContact O-CD2 3.28Å; M21-L107 HydrophobicContact CE-CD2 4.48Å; M21-Y297 WeakPolarHBondContact CA-OH 3.45Å; M21-Y297 HydrophobicContact CB-CE2 3.69Å; M21-Y297 WeakPolarHBondContact CB-OH 3.38Å; M21-Y297 WeakPolarHBondContact CG-OH 3.49Å; M21-W433 HydrophobicContact CE-CD2 4.16Å; M21-W433 HydrophobicContact CE-CE3 3.68Å; M21-W433 HydrophobicContact CE-CZ3 4.07Å; M21-W433 HydrophobicContact SD-CB 3.56Å; M21-W433 VanDerWaalsContact SD-CB 3.56Å; M21-W433 HydrophobicContact SD-CD2 3.73Å; M21-W433 HydrophobicContact SD-CE3 3.77Å; M21-W433 HydrophobicContact SD-CG 3.67Å; M21-I437 HydrophobicContact CE-CD1 3.93Å; M21-I437 HydrophobicContact CG-CD1 3.45Å; M21-I437 VanDerWaalsContact CG-CD1 3.45Å; M21-I437 HydrophobicContact SD-CD1 3.77Å
22L85.4Confident83.2Confident2 Ų235.1 Ų35.11%0.0116%0.158CC..Hα-helixtrans-59.8-36.1-175.9-68.4172.6000111.7V8 V18 I19 R24 H25 V28 I30 F69 I437V8-L22 HydrophobicContact CG2-CD1 3.74Å; V18-L22 HydrophobicContact CG1-CD1 3.76Å; V18-L22 HydrophobicContact CG1-CG 4.19Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.22Å; I19-L22 PolarHBondContact O-N 3.42Å; L22-R24 PolarHBondContact O-N 3.09Å; L22-R24 VanDerWaalsContact O-N 3.15Å; L22-H25 PolarHBondContact O-N 3.03Å; L22-V28 HydrophobicContact CB-CG1 4.23Å; L22-V28 HydrophobicContact CD2-CG1 4.24Å; L22-I30 HydrophobicContact CB-CD1 3.68Å; L22-I30 HydrophobicContact CB-CG1 4.17Å; L22-F69 HydrophobicContact CD1-CD2 3.63Å; L22-F69 HydrophobicContact CD1-CE2 3.8Å; L22-F69 HydrophobicContact CD1-CG 4.41Å; L22-F69 HydrophobicContact CD2-CE2 4.16Å; L22-F69 HydrophobicContact CD2-CZ 4.47Å; L22-I437 HydrophobicContact CD2-CD1 3.79Å; L22-I437 HydrophobicContact CD2-CG1 4.05Å; L22-I437 HydrophobicContact CD2-CG2 4.49Å
23R84.2Confident83.8Confident107 Ų10735 Ų3540%0.40416%0.157SC..THydrogen-bonded Turntrans-58.9-24.2175.9-80.2179.5170.5169.3-2.9114.6I19 M21 H25 I30 D45 V46 A47 I49I19-R23 HydrophobicContact CG2-CG 4.42Å; I19-R23 WeakPolarHBondContact O-CB 2.91Å; I19-R23 WeakPolarHBondContact O-CG 3.41Å; I19-R23 PolarHBondContact O-N 3.22Å; M21-R23 PolarHBondContact O-N 3.29Å; R23-H25 PolarHBondContact O-N 3.29Å; R23-I30 HydrophobicContact CG-CD1 3.83Å; R23-D45 PolarHBondContact NH1-O 3.04Å; R23-V46 PolarHBondContact NH2-O 3.35Å; R23-A47 PolarHBondContact NH2-O 3.06Å; R23-I49 VanDerWaalsContact NH2-CG1 3.28Å
24R80.3Confident84.6Confident131 Ų13133 Ų3349%0.49415%0.148SC..THydrogen-bonded Turntrans-75.2-13.6177.7-65.6173.1-179.1-175.31.6112.4M21 L22M21-R24 WeakPolarHBondContact O-CB 3.07Å; M21-R24 PolarHBondContact O-N 3.29Å; L22-R24 PolarHBondContact O-N 3.09Å; L22-R24 VanDerWaalsContact O-N 3.15Å
25H83.6Confident85Confident25 Ų2533.3 Ų33.312%0.11615%0.15CC..  trans-101.6111.2-178.2-63.1-85.1000110.7M21 L22 R23 D27 V28 I437M21-H25 PolarHBondContact O-CD2 3.5Å; M21-H25 VanDerWaalsContact O-CD2 3.28Å; L22-H25 PolarHBondContact O-N 3.03Å; R23-H25 PolarHBondContact O-N 3.29Å; H25-D27 PolarHBondContact O-N 2.83Å; H25-D27 VanDerWaalsContact O-N 3.13Å; H25-V28 HydrophobicContact CB-CB 4.36Å; H25-V28 HydrophobicContact CB-CG2 3.91Å; H25-V28 PolarHBondContact O-N 3.22Å; H25-I437 HydrophobicContact CB-CG2 4.1Å; H25-I437 WeakPolarHBondContact NE2-CD1 3.43Å
26K85.1Confident84.7Confident160 Ų16040 Ų4070%0.69618%0.181SC*.THydrogen-bonded Turntrans-59.7-24.6178.5-63.4-178.8-176.3174.10113.3V28 D414K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 PolarHBondContact O-N 3.32Å; K26-D414 PolarHBondContact NZ-O 2.94Å
27D85.5Confident84.5Confident56 Ų5642 Ų4230%0.29920%0.195SC..THydrogen-bonded Turntrans-83.41.5179.3-56.8-47.3000113.1S3 I4 H25 T441S3-D27 CarbonylContact C-O 3.47Å; S3-D27 WeakPolarHBondContact CA-O 3.49Å; I4-D27 PolarHBondContact N-O 3.09Å; H25-D27 PolarHBondContact O-N 2.83Å; H25-D27 VanDerWaalsContact O-N 3.13Å; D27-T441 HydrophobicContact CB-CG2 3.81Å
28V89.6Confident83.8Confident13 Ų1345.7 Ų45.78%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-116.7117.4176-175.10000109.7I4 A6 L22 H25 K26 I30 I437 T441I4-V28 HydrophobicContact CD1-CG1 4.4Å; I4-V28 HydrophobicContact CD1-CG2 3.99Å; I4-V28 HydrophobicContact CG1-CB 4.28Å; I4-V28 HydrophobicContact CG1-CG1 4.14Å; I4-V28 HydrophobicContact CG1-CG2 4.01Å; A6-V28 HydrophobicContact CB-CG1 4.17Å; L22-V28 HydrophobicContact CB-CG1 4.23Å; L22-V28 HydrophobicContact CD2-CG1 4.24Å; H25-V28 HydrophobicContact CB-CB 4.36Å; H25-V28 HydrophobicContact CB-CG2 3.91Å; H25-V28 PolarHBondContact O-N 3.22Å; K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 PolarHBondContact O-N 3.32Å; V28-I30 HydrophobicContact CG1-CG1 4.37Å; V28-I437 HydrophobicContact CG2-CG2 3.67Å; V28-T441 HydrophobicContact CG2-CG2 3.88Å
29N91.7Very high82.8Confident71 Ų7152.3 Ų52.338%0.3825%0.254SS..EExtended strand (participates in β ladder)trans-99.6105173.5-179.229.9000109.8I4 N5 A6 I31I4-N29 PolarHBondContact O-N 2.95Å; N5-N29 WeakPolarHBondContact CA-O 3.47Å; N5-N29 PolarHBondContact OD1-ND2 2.79Å; A6-N29 PolarHBondContact N-O 2.94Å; N29-I31 WeakPolarHBondContact ND2-CG2 3.46Å; N29-I31 PolarHBondContact O-N 2.9Å; N29-I31 VanDerWaalsContact O-N 3.13Å
30I91.5Very high81.6Confident22 Ų2256 Ų5611%0.11327%0.274CS..EExtended strand (participates in β ladder)trans-8094.7175.8-50.6175.2000108.7A6 V8 I19 L22 R23 V28 G32 I49A6-I30 CarbonylContact O-C 3.56Å; A6-I30 WeakPolarHBondContact O-CA 3.4Å; V8-I30 HydrophobicContact CG2-CG2 4.21Å; I19-I30 HydrophobicContact CG2-CD1 4.34Å; L22-I30 HydrophobicContact CB-CD1 3.68Å; L22-I30 HydrophobicContact CB-CG1 4.17Å; R23-I30 HydrophobicContact CG-CD1 3.83Å; V28-I30 HydrophobicContact CG1-CG1 4.37Å; I30-G32 VanDerWaalsContact C-N 3.29Å; I30-G32 PolarHBondContact O-N 3.41Å; I30-I49 HydrophobicContact CB-CD1 4.37Å; I30-I49 HydrophobicContact CB-CG1 4.49Å; I30-I49 HydrophobicContact CD1-CD1 4.17Å; I30-I49 HydrophobicContact CG2-CD1 3.9Å; I30-I49 HydrophobicContact CG2-CG1 4.16Å; I30-I49 HydrophobicContact CG2-CG2 4.13Å
31I91.7Very high80.5Confident48 Ų4857.3 Ų57.325%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-76.2-18.6-176.651.8168.5000113N5 A6 V7 N29 I65N5-I31 HydrophobicContact CB-CD1 4.07Å; N5-I31 HydrophobicContact CB-CG1 4.5Å; N5-I31 HydrophobicContact CB-CG2 4.23Å; A6-I31 VanDerWaalsContact O-CG1 3.29Å; A6-I31 WeakPolarHBondContact O-CG1 3.38Å; A6-I31 PolarHBondContact O-N 3.13Å; V7-I31 HydrophobicContact CG2-CD1 3.97Å; V7-I31 HydrophobicContact CG2-CG1 3.69Å; N29-I31 WeakPolarHBondContact ND2-CG2 3.46Å; N29-I31 PolarHBondContact O-N 2.9Å; N29-I31 VanDerWaalsContact O-N 3.13Å; I31-I65 HydrophobicContact CD1-CB 4.32Å; I31-I65 HydrophobicContact CD1-CG1 3.69Å
32G89.5Confident79.4Confident0 Ų059 Ų590%029%0.289CS..EExtended strand (participates in β ladder)trans-176.1173.317300000114.7V7 V8 I30 K50V7-G32 WeakPolarHBondContact CA-O 3.42Å; V8-G32 PolarHBondContact N-O 3.38Å; I30-G32 VanDerWaalsContact C-N 3.29Å; I30-G32 PolarHBondContact O-N 3.41Å; G32-K50 CarbonylContact C-O 3.5Å; G32-K50 WeakPolarHBondContact CA-O 3.24Å
33Y88.9Confident77.9Confident1 Ų167.1 Ų67.10%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-125.6136.7176.6162.1-94.6000108.8V8 G10 W11 T15 I19 C35 Q41 V46 K50 V51 I52V8-Y33 WeakPolarHBondContact O-CA 3.09Å; G10-Y33 WeakPolarHBondContact O-CE2 3.36Å; G10-Y33 PolarHBondContact O-OH 3.49Å; W11-Y33 WeakPolarHBondContact CA-OH 3.33Å; T15-Y33 HydrophobicContact CG2-CD2 4.27Å; T15-Y33 HydrophobicContact CG2-CE2 3.78Å; I19-Y33 HydrophobicContact CD1-CD2 3.79Å; I19-Y33 HydrophobicContact CD1-CE2 4.32Å; Y33-C35 HydrophobicContact CE1-CB 4.02Å; Y33-Q41 HydrophobicContact CE1-CG 4.48Å; Y33-V46 HydrophobicContact CD1-CG1 4.07Å; Y33-V46 HydrophobicContact CD2-CG1 4.29Å; Y33-V46 HydrophobicContact CG-CG1 3.83Å; Y33-K50 PolarHBondContact N-O 3Å; Y33-V51 HydrophobicContact CD1-CG1 4.31Å; Y33-V51 HydrophobicContact CD1-CG2 4.22Å; Y33-V51 CarbonylContact O-C 3.57Å; Y33-V51 WeakPolarHBondContact O-CA 3.43Å; Y33-I52 PolarHBondContact O-N 3.36Å
34W89.4Confident76.3Confident12 Ų1265.6 Ų65.65%0.04534%0.337CS..EExtended strand (participates in β ladder)trans-126.1137178.4-179.191.8000111.5V7 V8 C9 G10 E36 I52 G54 F56 L59 L80V7-W34 HydrophobicContact CG1-CB 4.37Å; V8-W34 PolarHBondContact O-N 3.23Å; C9-W34 WeakPolarHBondContact CA-O 3.19Å; C9-W34 HydrophobicContact CB-CE3 4.13Å; G10-W34 PolarHBondContact N-O 3.44Å; W34-E36 HydrophobicContact CH2-CB 3.92Å; W34-E36 HydrophobicContact CH2-CG 4.49Å; W34-E36 HydrophobicContact CZ2-CB 4.4Å; W34-I52 VanDerWaalsContact CD1-O 3.31Å; W34-G54 PolarHBondContact NE1-O 2.85Å; W34-F56 HydrophobicContact CD2-CD2 4.22Å; W34-F56 AromaticContact CE3-CD2 3.98Å; W34-F56 HydrophobicContact CE3-CD2 3.98Å; W34-F56 HydrophobicContact CH2-CB 4.04Å; W34-F56 HydrophobicContact CH2-CD2 4.12Å; W34-F56 HydrophobicContact CH2-CG 4.45Å; W34-F56 HydrophobicContact CZ2-CB 3.84Å; W34-F56 HydrophobicContact CZ2-CD2 4.33Å; W34-F56 AromaticContact CZ3-CD2 3.93Å; W34-F56 HydrophobicContact CZ3-CD2 3.93Å; W34-L59 HydrophobicContact CB-CD1 3.67Å; W34-L59 HydrophobicContact CD2-CD1 3.88Å; W34-L59 HydrophobicContact CG-CD1 3.45Å; W34-L59 VanDerWaalsContact CG-CD1 3.45Å; W34-L59 HydrophobicContact CG-CG 4.47Å; W34-L80 HydrophobicContact CH2-CD2 3.5Å; W34-L80 VanDerWaalsContact CH2-CD2 3.5Å; W34-L80 HydrophobicContact CZ3-CD1 3.94Å; W34-L80 HydrophobicContact CZ3-CD2 3.57Å; W34-L80 HydrophobicContact CZ3-CG 4.4Å
35C84.9Confident75.1Confident9 Ų961.4 Ų61.46%0.06133%0.325CS..  trans-143.4148.9168.967.60000110W11 Y33 S37W11-C35 HydrophobicContact CB-CB 4.06Å; Y33-C35 HydrophobicContact CE1-CB 4.02Å; C35-S37 PolarHBondContact O-N 3.23Å; C35-S37 PolarHBondContact SG-O 3.37Å
36E76.5Confident74.1Confident139 Ų13961 Ų6165%0.6532%0.324SS*.SBendtrans-65.8-36.9-175.8-168.6172.1-164.800112.6W34W34-E36 HydrophobicContact CH2-CB 3.92Å; W34-E36 HydrophobicContact CH2-CG 4.49Å; W34-E36 HydrophobicContact CZ2-CB 4.4Å
37S73.1Confident73Confident44 Ų4456.9 Ų56.931%0.30832%0.32SS..  trans-108.6108.4174.9179.60000110.5C35 N39 N40C35-S37 PolarHBondContact O-N 3.23Å; C35-S37 PolarHBondContact SG-O 3.37Å; S37-N39 PolarHBondContact O-N 2.65Å; S37-N39 VanDerWaalsContact O-N 3.12Å; S37-N40 PolarHBondContact O-N 3.32Å
38P62Low72.5Confident80 Ų8058.4 Ų58.452%0.51935%0.348SS..G310 helixtrans-64.5-14.7177.923.5-31.1000113.2N40 Q41P38-N40 VanDerWaalsContact C-N 3.33Å; P38-Q41 VanDerWaalsContact O-CG 3.26Å; P38-Q41 WeakPolarHBondContact O-CG 3.3Å; P38-Q41 PolarHBondContact O-NE2 3.5Å
39N61.7Low72.1Confident139 Ų13958.8 Ų58.874%0.74335%0.35SS*.G310 helixtrans-79.3-15174.7-68.6-14.1000113.2S37 Q41S37-N39 PolarHBondContact O-N 2.65Å; S37-N39 VanDerWaalsContact O-N 3.12Å; N39-Q41 VanDerWaalsContact C-N 3.31Å
40N59.3Low71.8Confident78 Ų7862.8 Ų62.842%0.41736%0.364SS..G310 helixtrans-95.624.5178.3-69.9-3000112.2W11 S37 P38 I42W11-N40 HydrophobicContact CB-CB 4.5Å; W11-N40 HydrophobicContact CE3-CB 4.12Å; S37-N40 PolarHBondContact O-N 3.32Å; P38-N40 VanDerWaalsContact C-N 3.33Å; N40-I42 PolarHBondContact O-N 2.79Å
41Q55.7Low71.4Confident66 Ų6664 Ų6431%0.30837%0.373SS..  trans-61.6132.9179.9-81.1173.629.300111Y33 P38 N39 H43Y33-Q41 HydrophobicContact CE1-CG 4.48Å; P38-Q41 VanDerWaalsContact O-CG 3.26Å; P38-Q41 WeakPolarHBondContact O-CG 3.3Å; P38-Q41 PolarHBondContact O-NE2 3.5Å; N39-Q41 VanDerWaalsContact C-N 3.31Å; Q41-H43 PolarHBondContact O-CD2 3.08Å; Q41-H43 PolarHBondContact O-N 3.29Å
42I58.6Low71.1Confident35 Ų3563.5 Ų63.518%0.17937%0.37CS..  trans-71.397.8177.4-50166.1000107.8W11 N12 A16 N40 A44 V46W11-I42 VanDerWaalsContact O-CG1 3.3Å; W11-I42 WeakPolarHBondContact O-CG1 3.46Å; N12-I42 WeakPolarHBondContact O-CD1 3.41Å; A16-I42 HydrophobicContact CB-CD1 4.07Å; A16-I42 HydrophobicContact CB-CG2 4.12Å; N40-I42 PolarHBondContact O-N 2.79Å; I42-A44 VanDerWaalsContact C-N 3.26Å; I42-A44 PolarHBondContact O-N 3.08Å; I42-V46 HydrophobicContact CB-CG2 3.99Å; I42-V46 WeakPolarHBondContact O-CG2 3.13Å
43H53.2Low70.5Confident173 Ų17369 Ų6980%0.80141%0.408SS*.THydrogen-bonded Turntrans-66.32.6-154.3-93.8-76.2000118.7Q41Q41-H43 PolarHBondContact O-CD2 3.08Å; Q41-H43 PolarHBondContact O-N 3.29Å
44A50.6Low70.2Confident75 Ų7571 Ų7162%0.6243%0.429SS*.THydrogen-bonded Turntrans-138.4-36179.300000114.5I42 A47I42-A44 VanDerWaalsContact C-N 3.26Å; I42-A44 PolarHBondContact O-N 3.08Å; A44-A47 WeakPolarHBondContact O-CB 3.29Å
45D54.9Low70.1Confident44 Ų4475.8 Ų75.824%0.23546%0.455CS..THydrogen-bonded Turntrans-84-18.1-169.1-72.4-29.6000114.3A16 K20 R23 A47A16-D45 HydrophobicContact CB-CB 3.98Å; K20-D45 WeakPolarHBondContact CE-OD1 3.32Å; K20-D45 VanDerWaalsContact CE-OD2 3.31Å; K20-D45 WeakPolarHBondContact CE-OD2 3.48Å; K20-D45 IonicContact NZ-OD1 3.43Å; K20-D45 PolarHBondContact NZ-OD1 3.29Å; K20-D45 IonicContact NZ-OD2 2.76Å; K20-D45 PolarHBondContact NZ-OD2 2.92Å; R23-D45 PolarHBondContact NH1-O 3.04Å; D45-A47 VanDerWaalsContact C-N 3.28Å
46V62.8Low70.2Confident15 Ų1575.6 Ų75.69%0.09145%0.453CS..THydrogen-bonded Turntrans-86.9-0.9178.8-155.50000111.7I19 R23 Y33 I42 G48 I49I19-V46 HydrophobicContact CD1-CG1 4.16Å; I19-V46 HydrophobicContact CD1-CG2 4.4Å; R23-V46 PolarHBondContact NH2-O 3.35Å; Y33-V46 HydrophobicContact CD1-CG1 4.07Å; Y33-V46 HydrophobicContact CD2-CG1 4.29Å; Y33-V46 HydrophobicContact CG-CG1 3.83Å; I42-V46 HydrophobicContact CB-CG2 3.99Å; I42-V46 WeakPolarHBondContact O-CG2 3.13Å; V46-G48 PolarHBondContact O-N 3.06Å; V46-G48 VanDerWaalsContact O-N 3.17Å; V46-I49 HydrophobicContact CG1-CB 4.07Å; V46-I49 HydrophobicContact CG1-CG2 4.42Å; V46-I49 PolarHBondContact O-N 2.9Å
47A62.5Low70.6Confident74 Ų7473.6 Ų73.661%0.61244%0.443SS*.THydrogen-bonded Turntrans-50121.8-176.100000111.9R23 A44 D45R23-A47 PolarHBondContact NH2-O 3.06Å; A44-A47 WeakPolarHBondContact O-CB 3.29Å; D45-A47 VanDerWaalsContact C-N 3.28Å
48G74.5Confident71.2Confident88 Ų8876.2 Ų76.291%0.90745%0.453SS*.THydrogen-bonded Turntrans90.4-5-178.900000116.2V46V46-G48 PolarHBondContact O-N 3.06Å; V46-G48 VanDerWaalsContact O-N 3.17Å
49I81Confident72.5Confident22 Ų2272.5 Ų72.511%0.11343%0.429CS..SBendtrans-92.8137167.3-71.6157.6000109.4I19 R23 I30 V46 V51I19-I49 HydrophobicContact CD1-CD1 4.45Å; I19-I49 HydrophobicContact CG1-CD1 4.47Å; I19-I49 HydrophobicContact CG2-CD1 3.33Å; R23-I49 VanDerWaalsContact NH2-CG1 3.28Å; I30-I49 HydrophobicContact CB-CD1 4.37Å; I30-I49 HydrophobicContact CB-CG1 4.49Å; I30-I49 HydrophobicContact CD1-CD1 4.17Å; I30-I49 HydrophobicContact CG2-CD1 3.9Å; I30-I49 HydrophobicContact CG2-CG1 4.16Å; I30-I49 HydrophobicContact CG2-CG2 4.13Å; V46-I49 HydrophobicContact CG1-CB 4.07Å; V46-I49 HydrophobicContact CG1-CG2 4.42Å; V46-I49 PolarHBondContact O-N 2.9Å; I49-V51 PolarHBondContact O-N 3.24Å
50K85.1Confident73.6Confident155 Ų15566 Ų6667%0.67439%0.394SS*.PPolyproline II helixtrans-65.5123.1174.8-178.4-177.6176.6-174.40110G32 Y33 I52G32-K50 CarbonylContact C-O 3.5Å; G32-K50 WeakPolarHBondContact CA-O 3.24Å; Y33-K50 PolarHBondContact N-O 3Å; K50-I52 PolarHBondContact O-N 3.24Å
51V83.2Confident74.8Confident48 Ų4866.6 Ų66.629%0.29140%0.397SS..BIsolated β-bridgetrans-75.4124.4167.3-175.90000108.4Y33 I49Y33-V51 HydrophobicContact CD1-CG1 4.31Å; Y33-V51 HydrophobicContact CD1-CG2 4.22Å; Y33-V51 CarbonylContact O-C 3.57Å; Y33-V51 WeakPolarHBondContact O-CA 3.43Å; I49-V51 PolarHBondContact O-N 3.24Å
52I85.2Confident76.3Confident37 Ų3766.4 Ų66.419%0.1940%0.398CS..  trans-89.4112.1176.8-56172.6000107.8V7 Y33 W34 K50 L59V7-I52 HydrophobicContact CB-CD1 4.49Å; V7-I52 HydrophobicContact CG1-CD1 3.97Å; V7-I52 HydrophobicContact CG2-CD1 3.62Å; Y33-I52 PolarHBondContact O-N 3.36Å; W34-I52 VanDerWaalsContact CD1-O 3.31Å; K50-I52 PolarHBondContact O-N 3.24Å; I52-L59 HydrophobicContact CB-CD2 4.21Å; I52-L59 HydrophobicContact CD1-CD2 3.73Å; I52-L59 HydrophobicContact CG2-CD2 3.66Å
53S77.9Confident77.6Confident115 Ų11571.6 Ų71.680%0.80442%0.419SS*.  trans-84.2132.7169.254.10000110
54G82.3Confident79.3Confident42 Ų4268.7 Ų68.743%0.43341%0.41SS..SBendtrans142.8178.1176.600000113W34W34-G54 PolarHBondContact NE1-O 2.85Å
55D86.6Confident81.2Confident113 Ų11365.3 Ų65.360%0.60438%0.381SS*.  trans-74.9149.3178.3-75.7-15.4000110.2K57 D58D55-K57 PolarHBondContact O-N 3.5Å; D55-D58 PolarHBondContact N-OD2 3.02Å; D55-D58 WeakPolarHBondContact O-CB 3.46Å; D55-D58 PolarHBondContact O-N 3.13Å
56F87.1Confident82.8Confident5 Ų566 Ų662%0.02238%0.383CS..Hα-helixtrans-56.4-28.1176.4-171.3-109.7000112.6W34 D58 L59 I60 L70 L80 I83 V84W34-F56 HydrophobicContact CD2-CD2 4.22Å; W34-F56 AromaticContact CE3-CD2 3.98Å; W34-F56 HydrophobicContact CE3-CD2 3.98Å; W34-F56 HydrophobicContact CH2-CB 4.04Å; W34-F56 HydrophobicContact CH2-CD2 4.12Å; W34-F56 HydrophobicContact CH2-CG 4.45Å; W34-F56 HydrophobicContact CZ2-CB 3.84Å; W34-F56 HydrophobicContact CZ2-CD2 4.33Å; W34-F56 AromaticContact CZ3-CD2 3.93Å; W34-F56 HydrophobicContact CZ3-CD2 3.93Å; F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.92Å; F56-L59 HydrophobicContact CD2-CD1 3.72Å; F56-L59 HydrophobicContact CE2-CD1 4.08Å; F56-L59 WeakPolarHBondContact O-CB 3.13Å; F56-L59 PolarHBondContact O-N 2.95Å; F56-I60 HydrophobicContact CD1-CD1 3.71Å; F56-I60 HydrophobicContact CD1-CG1 4.31Å; F56-I60 HydrophobicContact CE1-CD1 3.58Å; F56-I60 HydrophobicContact CE1-CG1 4.03Å; F56-I60 HydrophobicContact CZ-CD1 4.48Å; F56-I60 PolarHBondContact O-N 2.91Å; F56-L70 HydrophobicContact CE2-CD2 3.87Å; F56-L70 HydrophobicContact CZ-CD2 3.79Å; F56-L80 HydrophobicContact CB-CD2 3.97Å; F56-L80 HydrophobicContact CD1-CB 4.19Å; F56-L80 HydrophobicContact CD1-CD2 3.94Å; F56-L80 HydrophobicContact CD2-CD1 4.47Å; F56-L80 HydrophobicContact CD2-CD2 3.72Å; F56-L80 HydrophobicContact CE1-CB 3.87Å; F56-L80 HydrophobicContact CE1-CD2 4.36Å; F56-L80 HydrophobicContact CE2-CB 4.48Å; F56-L80 HydrophobicContact CE2-CD1 4.22Å; F56-L80 HydrophobicContact CE2-CD2 4.2Å; F56-L80 HydrophobicContact CG-CD2 3.61Å; F56-L80 HydrophobicContact CZ-CB 4.06Å; F56-I83 HydrophobicContact CB-CD1 4.17Å; F56-I83 HydrophobicContact CD1-CB 4.25Å; F56-I83 HydrophobicContact CD1-CD1 4.36Å; F56-I83 HydrophobicContact CD1-CG2 4.14Å; F56-V84 HydrophobicContact CE1-CG2 3.94Å
57K84.6Confident84.1Confident98 Ų9865.2 Ų65.243%0.42638%0.378SS..Hα-helixtrans-59.1-37.3175-65.6-178.2177.21740112.5D55 L59 I60 L61 I83 L87D55-K57 PolarHBondContact O-N 3.5Å; K57-L59 VanDerWaalsContact C-N 3.28Å; K57-L59 PolarHBondContact O-N 2.99Å; K57-I60 PolarHBondContact O-N 2.95Å; K57-L61 WeakPolarHBondContact O-CG 3.23Å; K57-L61 PolarHBondContact O-N 3.12Å; K57-I83 HydrophobicContact CD-CG2 4.27Å; K57-I83 HydrophobicContact CG-CG2 3.38Å; K57-L87 HydrophobicContact CB-CD1 4.19Å; K57-L87 HydrophobicContact CD-CD2 4.26Å; K57-L87 HydrophobicContact CG-CD1 4.03Å; K57-L87 HydrophobicContact CG-CD2 4.29Å; K57-L87 HydrophobicContact CG-CG 4.38Å
58D86.6Confident85.5Confident98 Ų9861.7 Ų61.752%0.52435%0.349SS..Hα-helixtrans-68.7-30.9-178.7-60.6-32.5000111.5D55 F56 N62D55-D58 PolarHBondContact N-OD2 3.02Å; D55-D58 WeakPolarHBondContact O-CB 3.46Å; D55-D58 PolarHBondContact O-N 3.13Å; F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.92Å; D58-N62 PolarHBondContact O-N 2.9Å
59L89.1Confident86.4Confident3 Ų357.6 Ų57.62%0.01631%0.306CS..Hα-helixtrans-66.9-45.8173.9-59.2174.8000111.4V7 W34 I52 F56 K57 L61 N62 I65 L68V7-L59 HydrophobicContact CG1-CD2 4.45Å; W34-L59 HydrophobicContact CB-CD1 3.67Å; W34-L59 HydrophobicContact CD2-CD1 3.88Å; W34-L59 HydrophobicContact CG-CD1 3.45Å; W34-L59 VanDerWaalsContact CG-CD1 3.45Å; W34-L59 HydrophobicContact CG-CG 4.47Å; I52-L59 HydrophobicContact CB-CD2 4.21Å; I52-L59 HydrophobicContact CD1-CD2 3.73Å; I52-L59 HydrophobicContact CG2-CD2 3.66Å; F56-L59 HydrophobicContact CD2-CD1 3.72Å; F56-L59 HydrophobicContact CE2-CD1 4.08Å; F56-L59 WeakPolarHBondContact O-CB 3.13Å; F56-L59 PolarHBondContact O-N 2.95Å; K57-L59 VanDerWaalsContact C-N 3.28Å; K57-L59 PolarHBondContact O-N 2.99Å; L59-L61 PolarHBondContact O-N 3.06Å; L59-N62 WeakPolarHBondContact O-CB 3.26Å; L59-N62 PolarHBondContact O-N 3.23Å; L59-N62 VanDerWaalsContact O-N 3.09Å; L59-I65 HydrophobicContact CB-CD1 4.22Å; L59-I65 HydrophobicContact CD2-CD1 4.12Å; L59-I65 WeakPolarHBondContact O-CD1 3.35Å; L59-L68 HydrophobicContact CB-CD1 4.41Å; L59-L68 HydrophobicContact CB-CD2 4.11Å; L59-L68 HydrophobicContact CD1-CD2 4.23Å
60I85.6Confident86.9Confident2 Ų256.6 Ų56.61%0.0130%0.301CS..Hα-helixtrans-62.7-32.9-178.4-64.2166.4000111F56 K57 N62 L68 I83 V84 L87 I101 P102 I124F56-I60 HydrophobicContact CD1-CD1 3.71Å; F56-I60 HydrophobicContact CD1-CG1 4.31Å; F56-I60 HydrophobicContact CE1-CD1 3.58Å; F56-I60 HydrophobicContact CE1-CG1 4.03Å; F56-I60 HydrophobicContact CZ-CD1 4.48Å; F56-I60 PolarHBondContact O-N 2.91Å; K57-I60 PolarHBondContact O-N 2.95Å; I60-N62 VanDerWaalsContact C-N 3.32Å; I60-L68 HydrophobicContact CG1-CD1 4.19Å; I60-I83 HydrophobicContact CD1-CG2 4.45Å; I60-V84 HydrophobicContact CD1-CB 4.37Å; I60-V84 HydrophobicContact CD1-CG2 3.59Å; I60-V84 HydrophobicContact CG1-CG2 4.49Å; I60-L87 HydrophobicContact CB-CD1 4.02Å; I60-L87 HydrophobicContact CD1-CD1 3.56Å; I60-L87 HydrophobicContact CG1-CD1 4.42Å; I60-L87 HydrophobicContact CG2-CD1 3.98Å; I60-I101 HydrophobicContact CG2-CG2 3.86Å; I60-P102 WeakPolarHBondContact O-CD 3.44Å; I60-I124 HydrophobicContact CG2-CD1 3.98Å
61L84.1Confident87Confident91 Ų9149.2 Ų49.248%0.47627%0.269SS..THydrogen-bonded Turntrans-84.7-5.5179.8-62.7175.2000113.5K57 L59 K63K57-L61 WeakPolarHBondContact O-CG 3.23Å; K57-L61 PolarHBondContact O-N 3.12Å; L59-L61 PolarHBondContact O-N 3.06Å; L61-K63 PolarHBondContact O-N 3.17Å
62N86.8Confident87.1Confident61 Ų6147.2 Ų47.233%0.32626%0.257SS..  trans-84111-178.3-173.5-19000111.6D58 L59 I60 D64 I65D58-N62 PolarHBondContact O-N 2.9Å; L59-N62 WeakPolarHBondContact O-CB 3.26Å; L59-N62 PolarHBondContact O-N 3.23Å; L59-N62 VanDerWaalsContact O-N 3.09Å; I60-N62 VanDerWaalsContact C-N 3.32Å; N62-D64 VanDerWaalsContact C-N 3.25Å; N62-D64 PolarHBondContact O-N 3.25Å; N62-D64 WeakPolarHBondContact OD1-CB 3.3Å; N62-D64 PolarHBondContact OD1-N 2.99Å; N62-I65 HydrophobicContact CB-CD1 3.74Å; N62-I65 HydrophobicContact CB-CG1 3.92Å; N62-I65 PolarHBondContact O-N 3.39Å
63K85.8Confident87.2Confident144 Ų14445.5 Ų45.563%0.62625%0.248SC*.THydrogen-bonded Turntrans-69.4-17.4-177.5-53.6-167.8178.6-157.80114.7L61 D100L61-K63 PolarHBondContact O-N 3.17Å; K63-D100 HydrophobicContact CD-CB 4.15Å; K63-D100 WeakPolarHBondContact CE-OD2 3.48Å; K63-D100 HydrophobicContact CG-CB 4.2Å; K63-D100 IonicContact NZ-OD2 2.73Å; K63-D100 PolarHBondContact NZ-OD2 3.06Å
64D88.8Confident87.7Confident113 Ų11340 Ų4060%0.60421%0.21SC*.THydrogen-bonded Turntrans-76.2-17.7177-63.2-31.9000111.6N5 N62N5-D64 WeakPolarHBondContact CB-O 2.92Å; N5-D64 PolarHBondContact ND2-O 3.16Å; N62-D64 VanDerWaalsContact C-N 3.25Å; N62-D64 PolarHBondContact O-N 3.25Å; N62-D64 WeakPolarHBondContact OD1-CB 3.3Å; N62-D64 PolarHBondContact OD1-N 2.99Å
65I90.1Very high87.9Confident3 Ų339.6 Ų39.62%0.01520%0.199CC..  trans-88124.4178.6-49.3179.1000108.9V7 I31 L59 N62 F67 L68 P102V7-I65 HydrophobicContact CB-CD1 4.36Å; V7-I65 HydrophobicContact CB-CG2 4.25Å; V7-I65 HydrophobicContact CG2-CD1 3.66Å; V7-I65 HydrophobicContact CG2-CG1 3.98Å; V7-I65 HydrophobicContact CG2-CG2 4.09Å; I31-I65 HydrophobicContact CD1-CB 4.32Å; I31-I65 HydrophobicContact CD1-CG1 3.69Å; L59-I65 HydrophobicContact CB-CD1 4.22Å; L59-I65 HydrophobicContact CD2-CD1 4.12Å; L59-I65 WeakPolarHBondContact O-CD1 3.35Å; N62-I65 HydrophobicContact CB-CD1 3.74Å; N62-I65 HydrophobicContact CB-CG1 3.92Å; N62-I65 PolarHBondContact O-N 3.39Å; I65-F67 VanDerWaalsContact CG2-O 3.3Å; I65-F67 WeakPolarHBondContact CG2-O 2.74Å; I65-L68 HydrophobicContact CG2-CD2 4.3Å; I65-L68 HydrophobicContact CG2-CG 4.05Å; I65-P102 HydrophobicContact CB-CB 4.29Å; I65-P102 HydrophobicContact CB-CG 3.83Å; I65-P102 HydrophobicContact CG2-CB 3.96Å; I65-P102 HydrophobicContact CG2-CG 4Å; I65-P102 WeakPolarHBondContact O-CG 3.42Å
66Q88.9Confident87.9Confident58 Ų5835.5 Ų35.527%0.27118%0.177SC..SBendtrans-98.4-35175.6-67.4170.5-31.800111.8N5 H103 F444N5-Q66 HydrophobicContact CB-CG 4.49Å; N5-Q66 WeakPolarHBondContact O-CB 3.5Å; N5-Q66 PolarHBondContact O-N 3.24Å; Q66-H103 PolarHBondContact O-N 3.17Å; Q66-F444 HydrophobicContact CB-CE2 4.42Å; Q66-F444 HydrophobicContact CB-CZ 3.87Å; Q66-F444 HydrophobicContact CG-CE1 4.24Å; Q66-F444 HydrophobicContact CG-CZ 3.9Å
67F90.9Very high87.9Confident0 Ų035.2 Ų35.20%018%0.176CC..EExtended strand (participates in β ladder)trans-130.9135.9177.7-66.8-89.3000111.9I4 N5 A6 V7 I65 F69 H103 I105 L440 F444 W448 F451I4-F67 HydrophobicContact CB-CD2 4.06Å; I4-F67 HydrophobicContact CB-CE2 4.02Å; I4-F67 HydrophobicContact CD1-CD2 3.81Å; I4-F67 HydrophobicContact CD1-CE2 3.86Å; I4-F67 HydrophobicContact CG1-CD2 4.36Å; I4-F67 HydrophobicContact CG2-CE2 3.96Å; N5-F67 PolarHBondContact O-N 2.88Å; N5-F67 VanDerWaalsContact O-N 3.13Å; A6-F67 WeakPolarHBondContact CA-O 3.42Å; A6-F67 HydrophobicContact CB-CB 4.37Å; V7-F67 PolarHBondContact N-O 3.49Å; I65-F67 VanDerWaalsContact CG2-O 3.3Å; I65-F67 WeakPolarHBondContact CG2-O 2.74Å; F67-F69 HydrophobicContact CB-CE1 4.48Å; F67-F69 HydrophobicContact CB-CE2 4.1Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CG-CZ 4.36Å; F67-H103 CarbonylContact C-O 3.58Å; F67-H103 WeakPolarHBondContact CA-O 3.42Å; F67-H103 HydrophobicContact CD1-CB 3.73Å; F67-H103 HydrophobicContact CE1-CB 3.89Å; F67-I105 HydrophobicContact CD1-CD1 4.41Å; F67-I105 HydrophobicContact CD1-CG1 3.97Å; F67-L440 HydrophobicContact CD1-CD1 4.39Å; F67-L440 HydrophobicContact CD1-CD2 4.16Å; F67-L440 HydrophobicContact CD2-CD2 4.16Å; F67-L440 HydrophobicContact CE1-CD1 3.92Å; F67-L440 HydrophobicContact CE1-CD2 3.68Å; F67-L440 HydrophobicContact CE1-CG 3.89Å; F67-L440 HydrophobicContact CE2-CD2 3.67Å; F67-L440 HydrophobicContact CG-CD2 4.36Å; F67-L440 HydrophobicContact CZ-CD1 4.38Å; F67-L440 HydrophobicContact CZ-CD2 3.37Å; F67-L440 HydrophobicContact CZ-CG 3.82Å; F67-F444 HydrophobicContact CD2-CE2 4.44Å; F67-F444 AromaticContact CE2-CD2 3.47Å; F67-F444 HydrophobicContact CE2-CD2 3.47Å; F67-F444 VanDerWaalsContact CE2-CD2 3.47Å; F67-F444 AromaticContact CE2-CE2 3.44Å; F67-F444 HydrophobicContact CE2-CE2 3.44Å; F67-F444 VanDerWaalsContact CE2-CE2 3.44Å; F67-F444 HydrophobicContact CE2-CG 4.28Å; F67-F444 HydrophobicContact CE2-CZ 4.26Å; F67-F444 AromaticContact CZ-CD2 3.46Å; F67-F444 HydrophobicContact CZ-CD2 3.46Å; F67-F444 VanDerWaalsContact CZ-CD2 3.46Å; F67-F444 AromaticContact CZ-CE2 3.62Å; F67-F444 HydrophobicContact CZ-CE2 3.62Å; F67-W448 AromaticContact CE1-CZ3 3.89Å; F67-W448 HydrophobicContact CE1-CZ3 3.89Å; F67-W448 HydrophobicContact CZ-CE3 4.42Å; F67-W448 HydrophobicContact CZ-CH2 4.11Å; F67-W448 AromaticContact CZ-CZ3 3.48Å; F67-W448 HydrophobicContact CZ-CZ3 3.48Å; F67-W448 VanDerWaalsContact CZ-CZ3 3.48Å; F67-F451 HydrophobicContact CE1-CE2 4.38Å; F67-F451 HydrophobicContact CE1-CZ 4.49Å
68L92.3Very high88Confident0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-109.9111.3166.8-79.4163.4000108.2V7 L59 I60 I65 P102 H103 V104 I105V7-L68 HydrophobicContact CB-CD2 3.77Å; V7-L68 HydrophobicContact CG1-CD2 3.88Å; V7-L68 WeakPolarHBondContact O-CA 3.33Å; L59-L68 HydrophobicContact CB-CD1 4.41Å; L59-L68 HydrophobicContact CB-CD2 4.11Å; L59-L68 HydrophobicContact CD1-CD2 4.23Å; I60-L68 HydrophobicContact CG1-CD1 4.19Å; I65-L68 HydrophobicContact CG2-CD2 4.3Å; I65-L68 HydrophobicContact CG2-CG 4.05Å; L68-P102 HydrophobicContact CD1-CB 3.88Å; L68-P102 HydrophobicContact CD1-CG 4.01Å; L68-P102 HydrophobicContact CG-CB 4.05Å; L68-P102 HydrophobicContact CG-CG 4.48Å; L68-H103 PolarHBondContact N-O 3.03Å; L68-V104 HydrophobicContact CB-CG2 4.37Å; L68-V104 HydrophobicContact CD1-CG2 4.38Å; L68-I105 PolarHBondContact O-N 3.12Å
69F92.3Very high87.8Confident2 Ų233.2 Ų33.21%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-91.6110.5175.7-65.7-62.8000109.9A6 V7 V8 C9 L22 F67 C71 I105 L107 W436 L440A6-F69 HydrophobicContact CB-CD2 3.89Å; A6-F69 HydrophobicContact CB-CE2 3.54Å; V7-F69 PolarHBondContact O-N 2.89Å; V8-F69 HydrophobicContact CG1-CB 4.5Å; V8-F69 HydrophobicContact CG2-CD2 4.4Å; C9-F69 PolarHBondContact N-O 3.45Å; L22-F69 HydrophobicContact CD1-CD2 3.63Å; L22-F69 HydrophobicContact CD1-CE2 3.8Å; L22-F69 HydrophobicContact CD1-CG 4.41Å; L22-F69 HydrophobicContact CD2-CE2 4.16Å; L22-F69 HydrophobicContact CD2-CZ 4.47Å; F67-F69 HydrophobicContact CB-CE1 4.48Å; F67-F69 HydrophobicContact CB-CE2 4.1Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CG-CZ 4.36Å; F69-C71 PolarHBondContact O-N 2.8Å; F69-I105 CarbonylContact C-O 3.58Å; F69-I105 WeakPolarHBondContact CA-O 3.4Å; F69-I105 HydrophobicContact CD1-CB 3.73Å; F69-I105 HydrophobicContact CD1-CG1 4.12Å; F69-I105 HydrophobicContact CD1-CG2 4.2Å; F69-I105 HydrophobicContact CE1-CB 3.99Å; F69-I105 HydrophobicContact CE1-CG1 3.93Å; F69-I105 HydrophobicContact CE1-CG2 4.33Å; F69-L107 HydrophobicContact CB-CD1 4.01Å; F69-L107 HydrophobicContact CD1-CD1 3.73Å; F69-L107 HydrophobicContact CG-CD1 4.3Å; F69-W436 AromaticContact CE1-CH2 3.85Å; F69-W436 HydrophobicContact CE1-CH2 3.85Å; F69-W436 HydrophobicContact CE1-CZ3 4.24Å; F69-L440 HydrophobicContact CE1-CD1 4.45Å; F69-L440 HydrophobicContact CZ-CD2 4.46Å
70L91.3Very high87.5Confident0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-90.599.3177.7-64.6-174.6000110.4C9 F56 Q77 L80 V104 I105 I106 L107C9-L70 HydrophobicContact CB-CD2 3.56Å; F56-L70 HydrophobicContact CE2-CD2 3.87Å; F56-L70 HydrophobicContact CZ-CD2 3.79Å; L70-Q77 PolarHBondContact O-NE2 2.88Å; L70-L80 HydrophobicContact CD1-CB 4.44Å; L70-L80 HydrophobicContact CD2-CD1 3.76Å; L70-V104 HydrophobicContact CD1-CG1 3.49Å; L70-V104 VanDerWaalsContact CD1-CG1 3.49Å; L70-V104 HydrophobicContact CG-CG1 3.87Å; L70-I105 PolarHBondContact N-O 3.2Å; L70-I106 HydrophobicContact CB-CG1 4.36Å; L70-I106 HydrophobicContact CD1-CG1 4.17Å; L70-L107 PolarHBondContact O-N 3.31Å
71C87.3Confident87.2Confident0 Ų033.7 Ų33.70%017%0.166CC..  trans-119.156.6-173.7-500000110.4C9 T15 V18 F69C9-C71 CarbonylContact O-C 3.59Å; C9-C71 PolarHBondContact O-N 2.98Å; T15-C71 HydrophobicContact CG2-CB 4.29Å; T15-C71 PolarHBondContact OG1-O 2.84Å; V18-C71 HydrophobicContact CG2-CB 4.32Å; F69-C71 PolarHBondContact O-N 2.8Å
72D86.3Confident86.9Confident6 Ų631.7 Ų31.73%0.03216%0.16CC..SBendtrans-125.7-179.1-176.8-151.6-22.7000111W11 N12 N76 Q77W11-D72 PolarHBondContact NE1-OD1 2.89Å; W11-D72 VanDerWaalsContact NE1-OD1 3.09Å; W11-D72 PolarHBondContact NE1-OD2 3.2Å; N12-D72 WeakPolarHBondContact ND2-CA 2.54Å; D72-N76 HydrophobicContact CB-CB 3.96Å; D72-N76 VanDerWaalsContact CG-ND2 3.29Å; D72-N76 PolarHBondContact OD1-ND2 3.46Å; D72-N76 WeakPolarHBondContact OD2-CB 3.14Å; D72-N76 PolarHBondContact OD2-ND2 2.92Å; D72-Q77 HydrophobicContact CB-CG 4.4Å; D72-Q77 VanDerWaalsContact O-CD 3.28Å; D72-Q77 PolarHBondContact O-NE2 3.47Å
73T86.1Confident86.6Confident2 Ų231 Ų311%0.01216%0.156CC..  trans-60.3151.8170.563.70000110.7V75 N76 Q77 W192 M199T73-V75 VanDerWaalsContact C-N 3.29Å; T73-V75 PolarHBondContact O-N 2.94Å; T73-N76 PolarHBondContact O-N 2.79Å; T73-Q77 WeakPolarHBondContact O-CG 3.33Å; T73-Q77 PolarHBondContact O-N 2.88Å; T73-W192 HydrophobicContact CG2-CD2 3.77Å; T73-W192 HydrophobicContact CG2-CE3 3.77Å; T73-W192 HydrophobicContact CG2-CG 4.12Å; T73-W192 HydrophobicContact CG2-CZ3 4.26Å; T73-M199 HydrophobicContact CG2-CE 4.42Å; T73-M199 HydrophobicContact CG2-SD 4.39Å
74P88.5Confident86.2Confident0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-64.5-27.1-178.6-24.536.3000115.1R78 P109 M199P74-R78 WeakPolarHBondContact O-CB 3.39Å; P74-R78 VanDerWaalsContact O-CG 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.37Å; P74-R78 PolarHBondContact O-N 3.33Å; P74-R78 PolarHBondContact O-NE 3.13Å; P74-P109 HydrophobicContact CG-CB 4.33Å; P74-P109 HydrophobicContact CG-CG 4.3Å; P74-M199 WeakPolarHBondContact CD-O 3.25Å
75V86.5Confident85.5Confident33 Ų3319.2 Ų19.220%0.210%0.1CC..Hα-helixtrans-58.1-51.1168.1164.10000110.4T73 R78 N79 E198T73-V75 VanDerWaalsContact C-N 3.29Å; T73-V75 PolarHBondContact O-N 2.94Å; V75-R78 PolarHBondContact O-N 3.17Å; V75-N79 PolarHBondContact O-N 3.45Å; V75-E198 HydrophobicContact CG2-CB 3.7Å; V75-E198 HydrophobicContact CG2-CG 4.46Å; V75-E198 WeakPolarHBondContact CG2-O 3.36Å; V75-E198 PolarHBondContact N-O 2.9Å
76N85.9Confident84.8Confident26 Ų2622.9 Ų22.914%0.13912%0.124CC..Hα-helixtrans-66.5-42.5-179.5-73.2-1.3000111.5W11 D72 T73 R78 N79 L80W11-N76 PolarHBondContact NE1-ND2 3.49Å; D72-N76 HydrophobicContact CB-CB 3.96Å; D72-N76 VanDerWaalsContact CG-ND2 3.29Å; D72-N76 PolarHBondContact OD1-ND2 3.46Å; D72-N76 WeakPolarHBondContact OD2-CB 3.14Å; D72-N76 PolarHBondContact OD2-ND2 2.92Å; T73-N76 PolarHBondContact O-N 2.79Å; N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.78Å; N76-N79 PolarHBondContact O-N 2.83Å; N76-N79 VanDerWaalsContact O-N 3.16Å; N76-L80 VanDerWaalsContact O-CG 3.26Å; N76-L80 WeakPolarHBondContact O-CG 3.36Å; N76-L80 PolarHBondContact O-N 3.31Å
77Q88.5Confident84Confident0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-57.6-42175.4-68.1169.5-19.600111.6L70 D72 T73 L80 F81 L107 P109 Y114L70-Q77 PolarHBondContact O-NE2 2.88Å; D72-Q77 HydrophobicContact CB-CG 4.4Å; D72-Q77 VanDerWaalsContact O-CD 3.28Å; D72-Q77 PolarHBondContact O-NE2 3.47Å; T73-Q77 WeakPolarHBondContact O-CG 3.33Å; T73-Q77 PolarHBondContact O-N 2.88Å; Q77-L80 PolarHBondContact O-N 2.96Å; Q77-F81 VanDerWaalsContact O-CB 3.23Å; Q77-F81 WeakPolarHBondContact O-CB 3.19Å; Q77-F81 PolarHBondContact O-N 3.28Å; Q77-L107 PolarHBondContact NE2-O 3.34Å; Q77-P109 PolarHBondContact NE2-O 2.97Å; Q77-P109 PolarHBondContact OE1-O 3.3Å; Q77-P109 VanDerWaalsContact OE1-O 3.1Å; Q77-Y114 HydrophobicContact CB-CE1 4.26Å; Q77-Y114 PolarHBondContact OE1-OH 2.79Å
78R85.3Confident82.8Confident71 Ų7122.4 Ų22.427%0.26813%0.125SC..Hα-helixtrans-63.7-43.7174.9-76.6-177.6-67166.1-0.7112.2P74 V75 N76 F81 S82 N113 Y114P74-R78 WeakPolarHBondContact O-CB 3.39Å; P74-R78 VanDerWaalsContact O-CG 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.37Å; P74-R78 PolarHBondContact O-N 3.33Å; P74-R78 PolarHBondContact O-NE 3.13Å; V75-R78 PolarHBondContact O-N 3.17Å; N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.78Å; R78-F81 PolarHBondContact O-N 2.83Å; R78-S82 PolarHBondContact O-N 2.95Å; R78-N113 WeakPolarHBondContact CD-O 3.3Å; R78-Y114 HydrophobicContact CG-CD1 3.84Å; R78-Y114 HydrophobicContact CG-CE1 3.79Å
79N83.4Confident81.5Confident83 Ų8328.6 Ų28.644%0.44416%0.157SC..Hα-helixtrans-60.3-48.5176.9-69.3-15.5000111.1V75 N76 F81 S82 I83V75-N79 PolarHBondContact O-N 3.45Å; N76-N79 PolarHBondContact O-N 2.83Å; N76-N79 VanDerWaalsContact O-N 3.16Å; N79-F81 VanDerWaalsContact C-N 3.29Å; N79-F81 PolarHBondContact O-N 3.28Å; N79-S82 PolarHBondContact O-N 3.46Å; N79-S82 PolarHBondContact O-OG 2.77Å; N79-I83 PolarHBondContact O-N 3.34Å
80L83.1Confident79.9Confident8 Ų831.6 Ų31.64%0.04219%0.188CC..Hα-helixtrans-62.8-38177-62.1176.4000111.7W34 F56 L70 N76 Q77 I83 V84W34-L80 HydrophobicContact CH2-CD2 3.5Å; W34-L80 VanDerWaalsContact CH2-CD2 3.5Å; W34-L80 HydrophobicContact CZ3-CD1 3.94Å; W34-L80 HydrophobicContact CZ3-CD2 3.57Å; W34-L80 HydrophobicContact CZ3-CG 4.4Å; F56-L80 HydrophobicContact CB-CD2 3.97Å; F56-L80 HydrophobicContact CD1-CB 4.19Å; F56-L80 HydrophobicContact CD1-CD2 3.94Å; F56-L80 HydrophobicContact CD2-CD1 4.47Å; F56-L80 HydrophobicContact CD2-CD2 3.72Å; F56-L80 HydrophobicContact CE1-CB 3.87Å; F56-L80 HydrophobicContact CE1-CD2 4.36Å; F56-L80 HydrophobicContact CE2-CB 4.48Å; F56-L80 HydrophobicContact CE2-CD1 4.22Å; F56-L80 HydrophobicContact CE2-CD2 4.2Å; F56-L80 HydrophobicContact CG-CD2 3.61Å; F56-L80 HydrophobicContact CZ-CB 4.06Å; L70-L80 HydrophobicContact CD1-CB 4.44Å; L70-L80 HydrophobicContact CD2-CD1 3.76Å; N76-L80 VanDerWaalsContact O-CG 3.26Å; N76-L80 WeakPolarHBondContact O-CG 3.36Å; N76-L80 PolarHBondContact O-N 3.31Å; Q77-L80 PolarHBondContact O-N 2.96Å; L80-I83 HydrophobicContact CD2-CD1 4.47Å; L80-I83 WeakPolarHBondContact O-CB 3.12Å; L80-I83 PolarHBondContact O-N 2.96Å; L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.03Å
81F78.1Confident78.2Confident7 Ų733.9 Ų33.93%0.03120%0.199CC..Hα-helixtrans-65.7-38.6176.6-168.1-101.8000112.8Q77 R78 N79 I83 V84 D85 M118 L119 T122 V126Q77-F81 VanDerWaalsContact O-CB 3.23Å; Q77-F81 WeakPolarHBondContact O-CB 3.19Å; Q77-F81 PolarHBondContact O-N 3.28Å; R78-F81 PolarHBondContact O-N 2.83Å; N79-F81 VanDerWaalsContact C-N 3.29Å; N79-F81 PolarHBondContact O-N 3.28Å; F81-I83 PolarHBondContact O-N 3.34Å; F81-V84 VanDerWaalsContact O-CB 3.32Å; F81-V84 WeakPolarHBondContact O-CB 3.46Å; F81-V84 PolarHBondContact O-N 3.34Å; F81-V84 VanDerWaalsContact O-N 3.08Å; F81-D85 PolarHBondContact O-N 2.83Å; F81-D85 VanDerWaalsContact O-N 3.08Å; F81-M118 HydrophobicContact CE1-CB 4.2Å; F81-L119 HydrophobicContact CD2-CD2 4.35Å; F81-L119 HydrophobicContact CE1-CD2 3.85Å; F81-L119 HydrophobicContact CE1-CG 3.72Å; F81-L119 HydrophobicContact CE2-CD2 3.47Å; F81-L119 VanDerWaalsContact CE2-CD2 3.47Å; F81-L119 HydrophobicContact CE2-CG 4.28Å; F81-L119 HydrophobicContact CZ-CB 4.27Å; F81-L119 HydrophobicContact CZ-CD2 3.19Å; F81-L119 HydrophobicContact CZ-CG 3.54Å; F81-T122 HydrophobicContact CE1-CG2 4.33Å; F81-T122 HydrophobicContact CE2-CG2 4.48Å; F81-T122 HydrophobicContact CZ-CG2 3.74Å; F81-V126 HydrophobicContact CD2-CG1 4.41Å; F81-V126 HydrophobicContact CD2-CG2 4.45Å; F81-V126 HydrophobicContact CE2-CB 4.17Å; F81-V126 HydrophobicContact CE2-CG1 3.89Å; F81-V126 HydrophobicContact CE2-CG2 3.6Å; F81-V126 HydrophobicContact CZ-CG2 4.49Å
82S79.8Confident76.4Confident49 Ų4940.1 Ų40.134%0.34324%0.243SC..Hα-helixtrans-60.7-30.6175.276.80000112.7R78 N79 C86R78-S82 PolarHBondContact O-N 2.95Å; N79-S82 PolarHBondContact O-N 3.46Å; N79-S82 PolarHBondContact O-OG 2.77Å; S82-C86 PolarHBondContact O-N 3.06Å; S82-C86 VanDerWaalsContact O-N 3.09Å; S82-C86 PolarHBondContact O-SG 3.18Å
83I79.6Confident74.6Confident45 Ų4541.9 Ų41.923%0.23125%0.254CS..Hα-helixtrans-69.5-41.5175.4-62.3170.8000110.7F56 K57 I60 N79 L80 F81 D85 C86 L87F56-I83 HydrophobicContact CB-CD1 4.17Å; F56-I83 HydrophobicContact CD1-CB 4.25Å; F56-I83 HydrophobicContact CD1-CD1 4.36Å; F56-I83 HydrophobicContact CD1-CG2 4.14Å; K57-I83 HydrophobicContact CD-CG2 4.27Å; K57-I83 HydrophobicContact CG-CG2 3.38Å; I60-I83 HydrophobicContact CD1-CG2 4.45Å; N79-I83 PolarHBondContact O-N 3.34Å; L80-I83 HydrophobicContact CD2-CD1 4.47Å; L80-I83 WeakPolarHBondContact O-CB 3.12Å; L80-I83 PolarHBondContact O-N 2.96Å; F81-I83 PolarHBondContact O-N 3.34Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 3.27Å; I83-C86 PolarHBondContact O-N 3.47Å; I83-L87 HydrophobicContact CG2-CD1 4.34Å; I83-L87 WeakPolarHBondContact O-CG 3.26Å; I83-L87 PolarHBondContact O-N 3.12Å; I83-L87 VanDerWaalsContact O-N 3.12Å
84V76.2Confident73.2Confident0 Ų045.5 Ų45.50%028%0.279CS..Hα-helixtrans-58.7-44.9175.6176.80000110.5F56 I60 L80 F81 L87 S88 I124F56-V84 HydrophobicContact CE1-CG2 3.94Å; I60-V84 HydrophobicContact CD1-CB 4.37Å; I60-V84 HydrophobicContact CD1-CG2 3.59Å; I60-V84 HydrophobicContact CG1-CG2 4.49Å; L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.03Å; F81-V84 VanDerWaalsContact O-CB 3.32Å; F81-V84 WeakPolarHBondContact O-CB 3.46Å; F81-V84 PolarHBondContact O-N 3.34Å; F81-V84 VanDerWaalsContact O-N 3.08Å; V84-L87 PolarHBondContact O-N 2.64Å; V84-S88 PolarHBondContact O-N 2.89Å; V84-S88 VanDerWaalsContact O-N 3.1Å; V84-S88 PolarHBondContact O-OG 2.91Å; V84-I124 HydrophobicContact CB-CD1 4.47Å; V84-I124 HydrophobicContact CG1-CB 3.74Å; V84-I124 HydrophobicContact CG1-CD1 3.44Å; V84-I124 VanDerWaalsContact CG1-CD1 3.44Å; V84-I124 HydrophobicContact CG1-CG1 4.06Å; V84-I124 HydrophobicContact CG1-CG2 3.86Å
85D75.2Confident71.7Confident11 Ų1151.6 Ų51.66%0.05931%0.312CS..Hα-helixtrans-65.2-47.3178.3-176.461.3000112.4F81 I83 L87 S88 I89 M118 T122F81-D85 PolarHBondContact O-N 2.83Å; F81-D85 VanDerWaalsContact O-N 3.08Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 3.27Å; D85-L87 PolarHBondContact O-N 3.31Å; D85-S88 WeakPolarHBondContact O-CA 3.31Å; D85-S88 WeakPolarHBondContact O-CB 2.97Å; D85-S88 PolarHBondContact O-N 2.88Å; D85-I89 PolarHBondContact O-N 3.07Å; D85-I89 VanDerWaalsContact O-N 3.11Å; D85-M118 HydrophobicContact CB-CE 3.79Å; D85-M118 WeakPolarHBondContact OD2-CE 3.49Å; D85-T122 HydrophobicContact CB-CG2 3.8Å; D85-T122 WeakPolarHBondContact OD1-CG2 3.08Å
86C74.7Confident70.2Confident79 Ų7958.2 Ų58.253%0.53434%0.338SS..Hα-helixtrans-55.6-38.2176.6-70.50000112.7S82 I83 G90S82-C86 PolarHBondContact O-N 3.06Å; S82-C86 VanDerWaalsContact O-N 3.09Å; S82-C86 PolarHBondContact O-SG 3.18Å; I83-C86 PolarHBondContact O-N 3.47Å; C86-G90 PolarHBondContact O-N 3.47Å
87L72.1Confident68.8Low31 Ų3159.5 Ų59.516%0.16235%0.346CS..Hα-helixtrans-70.9-32176.4-71.1172.3000112.7K57 I60 I83 V84 D85K57-L87 HydrophobicContact CB-CD1 4.19Å; K57-L87 HydrophobicContact CD-CD2 4.26Å; K57-L87 HydrophobicContact CG-CD1 4.03Å; K57-L87 HydrophobicContact CG-CD2 4.29Å; K57-L87 HydrophobicContact CG-CG 4.38Å; I60-L87 HydrophobicContact CB-CD1 4.02Å; I60-L87 HydrophobicContact CD1-CD1 3.56Å; I60-L87 HydrophobicContact CG1-CD1 4.42Å; I60-L87 HydrophobicContact CG2-CD1 3.98Å; I83-L87 HydrophobicContact CG2-CD1 4.34Å; I83-L87 WeakPolarHBondContact O-CG 3.26Å; I83-L87 PolarHBondContact O-N 3.12Å; I83-L87 VanDerWaalsContact O-N 3.12Å; V84-L87 PolarHBondContact O-N 2.64Å; D85-L87 PolarHBondContact O-N 3.31Å
88S67.3Low67.4Low18 Ų1861 Ų6113%0.12635%0.354CS..Hα-helixtrans-68.4-36.4178.1-59.60000112V84 D85 I124V84-S88 PolarHBondContact O-N 2.89Å; V84-S88 VanDerWaalsContact O-N 3.1Å; V84-S88 PolarHBondContact O-OG 2.91Å; D85-S88 WeakPolarHBondContact O-CA 3.31Å; D85-S88 WeakPolarHBondContact O-CB 2.97Å; D85-S88 PolarHBondContact O-N 2.88Å; S88-I124 WeakPolarHBondContact OG-CD1 3.39Å
89I64.9Low66.4Low129 Ų12962.7 Ų62.766%0.66236%0.364SS*.Hα-helixtrans-72.7-35.5-180-62.1167.9000111.7D85 Q91D85-I89 PolarHBondContact O-N 3.07Å; D85-I89 VanDerWaalsContact O-N 3.11Å; I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 3.24Å
90G58.6Low65.8Low65 Ų6562.2 Ų62.267%0.6736%0.361SS*.SBendtrans-75.5-12.2-176.400000115.3C86C86-G90 PolarHBondContact O-N 3.47Å
91Q55.5Low65.7Low49 Ų4962.8 Ų62.823%0.22936%0.364CS..  trans-99103.1-175.8-74.9-163.921.300112I89 T93I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 3.24Å; Q91-T93 HydrophobicContact CB-CG2 4.25Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.49Å; Q91-T93 PolarHBondContact O-N 3.22Å; Q91-T93 PolarHBondContact OE1-OG1 3.07Å; Q91-T93 VanDerWaalsContact OE1-OG1 3.13Å
92S49.4Very low66Low131 Ų13162.6 Ų62.692%0.91636%0.363SS*.  trans-73.524.3167.661.20000113.5
93T48.9Very low66.3Low43 Ų4360.8 Ų60.826%0.26435%0.349SS..  trans-92.6143.6-159.353.80000112.8Q91 V97Q91-T93 HydrophobicContact CB-CG2 4.25Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.49Å; Q91-T93 PolarHBondContact O-N 3.22Å; Q91-T93 PolarHBondContact OE1-OG1 3.07Å; Q91-T93 VanDerWaalsContact OE1-OG1 3.13Å; T93-V97 HydrophobicContact CG2-CG2 4.31Å
94S55Low66.7Low77 Ų7758.6 Ų58.654%0.53834%0.338SS..  trans-53.1150.3175.272.70000111.9K96 V97S94-K96 PolarHBondContact O-N 3Å; S94-V97 PolarHBondContact O-N 3.29Å
95D57Low67.4Low129 Ų12958.6 Ų58.669%0.6934%0.338SS*.Hα-helixtrans-45.9-22.3178.1-74.8-22000115.7V97 L98D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.89Å; D95-L98 PolarHBondContact O-N 2.9Å
96K55.3Low68.1Low172 Ų17258.1 Ų58.175%0.74834%0.335SS*.Hα-helixtrans-62.2-35.2174.8-77.6-174.6175.6-179.40113.8S94 L98 K99S94-K96 PolarHBondContact O-N 3Å; K96-L98 VanDerWaalsContact C-N 3.35Å; K96-K99 PolarHBondContact O-N 3Å
97V57.1Low68.8Low53 Ų5354.4 Ų54.432%0.32131%0.311SS..Hα-helixtrans-73-31-177.1179.20000111.4T93 S94 D95 K99 D100T93-V97 HydrophobicContact CG2-CG2 4.31Å; S94-V97 PolarHBondContact O-N 3.29Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 2.89Å; V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.8Å; V97-D100 PolarHBondContact O-N 2.86Å
98L58.7Low69.4Low32 Ų3254.1 Ų54.117%0.16831%0.311CS..Hα-helixtrans-69.5-23.7179.5-66.3165.9000113.3D95 K96 D100 I101 R123D95-L98 PolarHBondContact O-N 2.9Å; K96-L98 VanDerWaalsContact C-N 3.35Å; L98-D100 PolarHBondContact O-N 3.49Å; L98-I101 HydrophobicContact CD2-CD1 3.88Å; L98-I101 PolarHBondContact O-N 3.34Å; L98-R123 HydrophobicContact CD1-CB 3.98Å; L98-R123 HydrophobicContact CD1-CG 4.41Å; L98-R123 HydrophobicContact CD2-CB 3.5Å; L98-R123 VanDerWaalsContact CD2-CB 3.5Å; L98-R123 HydrophobicContact CG-CB 4.39Å
99K64.2Low70.2Confident106 Ų10653.3 Ų53.346%0.46131%0.305SS..THydrogen-bonded Turntrans-70.1-22.1175.3-72.3-168.2177.4-170.80112.9K96 V97 E447K96-K99 PolarHBondContact O-N 3Å; V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.8Å; K99-E447 IonicContact NZ-OE1 2.84Å; K99-E447 PolarHBondContact NZ-OE1 3.17Å
100D72.1Confident71Confident72 Ų7247.2 Ų47.239%0.38527%0.274SS..THydrogen-bonded Turntrans-90.4-3.7-177.7-67.8-10.2000112.6K63 V97 L98K63-D100 HydrophobicContact CD-CB 4.15Å; K63-D100 WeakPolarHBondContact CE-OD2 3.48Å; K63-D100 HydrophobicContact CG-CB 4.2Å; K63-D100 IonicContact NZ-OD2 2.73Å; K63-D100 PolarHBondContact NZ-OD2 3.06Å; V97-D100 PolarHBondContact O-N 2.86Å; L98-D100 PolarHBondContact O-N 3.49Å
101I79.1Confident71.7Confident21 Ų2144.1 Ų44.111%0.10824%0.242CC..SBendtrans-84.3136.6-179.6-55.3-179.7000109.6I60 L98 I124I60-I101 HydrophobicContact CG2-CG2 3.86Å; L98-I101 HydrophobicContact CD2-CD1 3.88Å; L98-I101 PolarHBondContact O-N 3.34Å; I101-I124 HydrophobicContact CD1-CD1 4.23Å; I101-I124 HydrophobicContact CD1-CG1 3.95Å; I101-I124 HydrophobicContact CG2-CB 4.49Å; I101-I124 HydrophobicContact CG2-CD1 4.04Å; I101-I124 HydrophobicContact CG2-CG1 3.98Å; I101-I124 HydrophobicContact CG2-CG2 3.86Å
102P86.2Confident72.5Confident2 Ų242.5 Ų42.51%0.01324%0.235CC..PPolyproline II helixtrans-60147.3176.4-18.429.1000112.2I60 I65 L68 V104I60-P102 WeakPolarHBondContact O-CD 3.44Å; I65-P102 HydrophobicContact CB-CB 4.29Å; I65-P102 HydrophobicContact CB-CG 3.83Å; I65-P102 HydrophobicContact CG2-CB 3.96Å; I65-P102 HydrophobicContact CG2-CG 4Å; I65-P102 WeakPolarHBondContact O-CG 3.42Å; L68-P102 HydrophobicContact CD1-CB 3.88Å; L68-P102 HydrophobicContact CD1-CG 4.01Å; L68-P102 HydrophobicContact CG-CB 4.05Å; L68-P102 HydrophobicContact CG-CG 4.48Å; P102-V104 PolarHBondContact O-N 2.84Å
103H86Confident73.8Confident11 Ų1140.2 Ų40.25%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-74126.9168.4-64.767.4000108.8Q66 F67 L68 I105 R125Q66-H103 PolarHBondContact O-N 3.17Å; F67-H103 CarbonylContact C-O 3.58Å; F67-H103 WeakPolarHBondContact CA-O 3.42Å; F67-H103 HydrophobicContact CD1-CB 3.73Å; F67-H103 HydrophobicContact CE1-CB 3.89Å; L68-H103 PolarHBondContact N-O 3.03Å; H103-I105 HydrophobicContact CB-CD1 4.44Å; H103-R125 WeakPolarHBondContact CA-O 3.31Å; H103-R125 VanDerWaalsContact CD2-CD 3.49Å; H103-R125 WeakPolarHBondContact CD2-CD 3.16Å; H103-R125 PolarHBondContact CE1-NH1 3.38Å; H103-R125 WeakPolarHBondContact NE2-CD 3.24Å; H103-R125 PolarHBondContact NE2-NH1 2.71Å
104V87.8Confident75.1Confident0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-96.2118.6179.7-178.80000108.7L68 L70 P102 I124 R125 V126 G127L68-V104 HydrophobicContact CB-CG2 4.37Å; L68-V104 HydrophobicContact CD1-CG2 4.38Å; L70-V104 HydrophobicContact CD1-CG1 3.49Å; L70-V104 VanDerWaalsContact CD1-CG1 3.49Å; L70-V104 HydrophobicContact CG-CG1 3.87Å; P102-V104 PolarHBondContact O-N 2.84Å; V104-I124 HydrophobicContact CG2-CG2 4.04Å; V104-R125 PolarHBondContact N-O 3.13Å; V104-V126 HydrophobicContact CB-CG2 4.05Å; V104-V126 VanDerWaalsContact O-CA 3.3Å; V104-V126 WeakPolarHBondContact O-CA 3.5Å; V104-G127 PolarHBondContact O-N 3.13Å
105I89.7Confident76.3Confident0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-114.8117.7-178.9-47.1-58.5000109.8F67 L68 F69 L70 H103 L107 G127 A129 W436 F451F67-I105 HydrophobicContact CD1-CD1 4.41Å; F67-I105 HydrophobicContact CD1-CG1 3.97Å; L68-I105 PolarHBondContact O-N 3.12Å; F69-I105 CarbonylContact C-O 3.58Å; F69-I105 WeakPolarHBondContact CA-O 3.4Å; F69-I105 HydrophobicContact CD1-CB 3.73Å; F69-I105 HydrophobicContact CD1-CG1 4.12Å; F69-I105 HydrophobicContact CD1-CG2 4.2Å; F69-I105 HydrophobicContact CE1-CB 3.99Å; F69-I105 HydrophobicContact CE1-CG1 3.93Å; F69-I105 HydrophobicContact CE1-CG2 4.33Å; L70-I105 PolarHBondContact N-O 3.2Å; H103-I105 HydrophobicContact CB-CD1 4.44Å; I105-L107 HydrophobicContact CB-CD1 4.4Å; I105-L107 HydrophobicContact CG2-CD1 4Å; I105-L107 WeakPolarHBondContact O-CD1 3.17Å; I105-G127 CarbonylContact C-O 3.57Å; I105-G127 VanDerWaalsContact CA-O 3.3Å; I105-G127 WeakPolarHBondContact CA-O 3.48Å; I105-A129 HydrophobicContact CG2-CB 4.09Å; I105-W436 HydrophobicContact CG2-CH2 3.89Å; I105-W436 HydrophobicContact CG2-CZ2 3.95Å; I105-F451 HydrophobicContact CD1-CE1 3.27Å; I105-F451 HydrophobicContact CD1-CE2 4.35Å; I105-F451 HydrophobicContact CD1-CZ 3.13Å; I105-F451 HydrophobicContact CG1-CZ 4.37Å
106I90.1Very high77Confident0 Ų033.5 Ų33.50%017%0.168CC..EExtended strand (participates in β ladder)trans-87.7126176.5-61.8169.1000108.4L70 V110 Y114 V126 G127 F128 A129L70-I106 HydrophobicContact CB-CG1 4.36Å; L70-I106 HydrophobicContact CD1-CG1 4.17Å; I106-V110 HydrophobicContact CG2-CG1 4.32Å; I106-V110 HydrophobicContact CG2-CG2 4.36Å; I106-Y114 HydrophobicContact CD1-CE1 4.29Å; I106-V126 HydrophobicContact CD1-CG1 4.12Å; I106-G127 PolarHBondContact N-O 3.09Å; I106-F128 HydrophobicContact CB-CD1 3.7Å; I106-F128 HydrophobicContact CB-CE1 3.92Å; I106-F128 HydrophobicContact CB-CG 4.43Å; I106-F128 HydrophobicContact CD1-CD1 4.14Å; I106-F128 HydrophobicContact CD1-CE1 3.49Å; I106-F128 VanDerWaalsContact CD1-CE1 3.49Å; I106-F128 HydrophobicContact CD1-CE2 4.45Å; I106-F128 HydrophobicContact CD1-CZ 3.67Å; I106-F128 HydrophobicContact CG1-CD1 4.5Å; I106-F128 HydrophobicContact CG1-CE1 4.29Å; I106-F128 HydrophobicContact CG2-CD1 3.83Å; I106-F128 HydrophobicContact CG2-CE1 3.91Å; I106-A129 PolarHBondContact O-N 2.73Å
107L89.4Confident78Confident2 Ų230.5 Ų30.51%0.0116%0.16CC..  trans-104.6151.9175.9-78.980.4000110.2V18 M21 F69 L70 Q77 I105 A129 W433V18-L107 HydrophobicContact CB-CD2 4.47Å; V18-L107 HydrophobicContact CG1-CD2 3.98Å; V18-L107 HydrophobicContact CG2-CD2 3.61Å; M21-L107 HydrophobicContact CE-CD2 4.48Å; F69-L107 HydrophobicContact CB-CD1 4.01Å; F69-L107 HydrophobicContact CD1-CD1 3.73Å; F69-L107 HydrophobicContact CG-CD1 4.3Å; L70-L107 PolarHBondContact O-N 3.31Å; Q77-L107 PolarHBondContact NE2-O 3.34Å; I105-L107 HydrophobicContact CB-CD1 4.4Å; I105-L107 HydrophobicContact CG2-CD1 4Å; I105-L107 WeakPolarHBondContact O-CD1 3.17Å; L107-A129 HydrophobicContact CD1-CB 4.45Å; L107-A129 HydrophobicContact CG-CB 3.98Å; L107-W433 HydrophobicContact CD2-CH2 3.53Å; L107-W433 HydrophobicContact CD2-CZ2 4.49Å; L107-W433 HydrophobicContact CD2-CZ3 3.72Å; L107-W433 HydrophobicContact CG-CH2 3.9Å; L107-W433 HydrophobicContact CG-CZ3 4.29Å
108P84.3Confident78.7Confident25 Ų2530.1 Ų30.116%0.16216%0.156CC..SBendtrans-53.2147.7173-26.434.5000113.9V110P108-V110 HydrophobicContact CB-CG2 4.3Å; P108-V110 HydrophobicContact CG-CG2 4.18Å
109P84.4Confident79.2Confident0 Ų028.7 Ų28.70%015%0.148CC..SBendcis-70.2147.73.131.3-38.7000112.5I14 P74 Q77 W192 G200 N205 M206I14-P109 VanDerWaalsContact CD1-CD 3.41Å; I14-P109 HydrophobicContact CD1-CG 4.43Å; P74-P109 HydrophobicContact CG-CB 4.33Å; P74-P109 HydrophobicContact CG-CG 4.3Å; Q77-P109 PolarHBondContact NE2-O 2.97Å; Q77-P109 PolarHBondContact OE1-O 3.3Å; Q77-P109 VanDerWaalsContact OE1-O 3.1Å; P109-W192 HydrophobicContact CG-CH2 3.79Å; P109-W192 HydrophobicContact CG-CZ3 3.86Å; P109-G200 WeakPolarHBondContact CB-O 3.47Å; P109-N205 HydrophobicContact CB-CB 4.31Å; P109-M206 HydrophobicContact CB-SD 3.77Å; P109-M206 HydrophobicContact CG-SD 4.29Å
110V81.2Confident79.5Confident2 Ų229.6 Ų29.61%0.01215%0.154CC..  trans-126.9124.2180-163.80000109I106 P108 Y114 F128 N205 P209 W461I106-V110 HydrophobicContact CG2-CG1 4.32Å; I106-V110 HydrophobicContact CG2-CG2 4.36Å; P108-V110 HydrophobicContact CB-CG2 4.3Å; P108-V110 HydrophobicContact CG-CG2 4.18Å; V110-Y114 HydrophobicContact CG1-CD2 4.39Å; V110-Y114 HydrophobicContact CG1-CE2 3.45Å; V110-Y114 VanDerWaalsContact CG1-CE2 3.45Å; V110-F128 HydrophobicContact CG1-CD1 3.58Å; V110-F128 HydrophobicContact CG1-CE1 3.6Å; V110-N205 PolarHBondContact N-O 2.76Å; V110-P209 HydrophobicContact CB-CG 4.47Å; V110-W461 HydrophobicContact CB-CH2 3.77Å; V110-W461 HydrophobicContact CB-CZ2 4.4Å; V110-W461 HydrophobicContact CB-CZ3 4.42Å; V110-W461 HydrophobicContact CG1-CH2 3.12Å; V110-W461 HydrophobicContact CG1-CZ2 3.35Å; V110-W461 HydrophobicContact CG1-CZ3 3.86Å
111S74.2Confident79.3Confident0 Ų033.6 Ų33.60%016%0.164CC..  trans-82.5149.1-179.9173.90000112N113 Y114S111-N113 PolarHBondContact O-N 2.97Å; S111-N113 VanDerWaalsContact O-N 3.13Å; S111-N113 PolarHBondContact OG-N 2.67Å; S111-Y114 WeakPolarHBondContact O-CD2 3.46Å; S111-Y114 WeakPolarHBondContact O-CE2 3.48Å
112P72.8Confident78.7Confident15 Ų1533.2 Ų33.210%0.09716%0.162CC..SBendtrans-72.76.8171.130.4-36000114.8Q465 M468P112-Q465 HydrophobicContact CB-CG 4.36Å; P112-Q465 WeakPolarHBondContact O-CG 3.18Å; P112-Q465 PolarHBondContact O-NE2 2.86Å; P112-M468 HydrophobicContact CB-CB 3.72Å
113N77Confident77.7Confident82 Ų8239.9 Ų39.944%0.43919%0.187SC..  trans-110.729.3-168.3-60.7-30.5000113.7R78 S111R78-N113 WeakPolarHBondContact CD-O 3.3Å; S111-N113 PolarHBondContact O-N 2.97Å; S111-N113 VanDerWaalsContact O-N 3.13Å; S111-N113 PolarHBondContact OG-N 2.67Å
114Y76.6Confident76.8Confident7 Ų739.7 Ų39.73%0.02719%0.187CC..  trans-76.3143.1170.2-60.7-86.5000110.1Q77 R78 I106 V110 S111 M116 F128 W461 Q465Q77-Y114 HydrophobicContact CB-CE1 4.26Å; Q77-Y114 PolarHBondContact OE1-OH 2.79Å; R78-Y114 HydrophobicContact CG-CD1 3.84Å; R78-Y114 HydrophobicContact CG-CE1 3.79Å; I106-Y114 HydrophobicContact CD1-CE1 4.29Å; V110-Y114 HydrophobicContact CG1-CD2 4.39Å; V110-Y114 HydrophobicContact CG1-CE2 3.45Å; V110-Y114 VanDerWaalsContact CG1-CE2 3.45Å; S111-Y114 WeakPolarHBondContact O-CD2 3.46Å; S111-Y114 WeakPolarHBondContact O-CE2 3.48Å; Y114-M116 PolarHBondContact O-N 3.47Å; Y114-F128 HydrophobicContact CD2-CE1 4.17Å; Y114-F128 HydrophobicContact CD2-CZ 4.33Å; Y114-F128 AromaticContact CE2-CE1 3.99Å; Y114-F128 HydrophobicContact CE2-CE1 3.99Å; Y114-F128 HydrophobicContact CG-CZ 4.47Å; Y114-W461 AromaticContact CD2-CZ2 3.91Å; Y114-W461 HydrophobicContact CD2-CZ2 3.91Å; Y114-W461 AromaticContact CD2-NE1 3.77Å; Y114-W461 HydrophobicContact CE2-CZ2 4.08Å; Y114-Q465 PolarHBondContact O-NE2 3.48Å; Y114-Q465 PolarHBondContact O-OE1 3.07Å
115D78.6Confident76.4Confident73 Ų7343.6 Ų43.639%0.3920%0.201SC..  trans-74.1106.5170.7-174.2-31.6000108.7D117 M118 L119D115-D117 WeakPolarHBondContact OD1-CB 3.26Å; D115-D117 PolarHBondContact OD1-N 2.94Å; D115-M118 HydrophobicContact CB-CB 3.94Å; D115-M118 HydrophobicContact CB-CG 3.84Å; D115-M118 HydrophobicContact CB-SD 3.77Å; D115-M118 PolarHBondContact O-N 2.95Å; D115-M118 PolarHBondContact OD1-N 3.17Å; D115-M118 WeakPolarHBondContact OD2-CG 3.38Å; D115-L119 PolarHBondContact O-N 3.17Å
116M72.7Confident76Confident28 Ų2844 Ų4414%0.13820%0.204CC..Hα-helixtrans-68.4-35.3-179-66.5-52.1-45.600112.4Y114 M118 L119 E120 P458 W461 A462Y114-M116 PolarHBondContact O-N 3.47Å; M116-M118 PolarHBondContact O-N 3.17Å; M116-L119 HydrophobicContact CE-CB 4.22Å; M116-L119 HydrophobicContact CE-CD1 3.77Å; M116-L119 WeakPolarHBondContact O-CB 3.33Å; M116-L119 PolarHBondContact O-N 3.06Å; M116-L119 VanDerWaalsContact O-N 3.12Å; M116-L119 HydrophobicContact SD-CD1 3.67Å; M116-E120 PolarHBondContact O-N 2.94Å; M116-P458 WeakPolarHBondContact CE-O 3.01Å; M116-W461 HydrophobicContact SD-CG 4.45Å; M116-A462 HydrophobicContact CE-CB 3.68Å; M116-A462 HydrophobicContact CG-CB 4.32Å; M116-A462 HydrophobicContact SD-CB 4.35Å
117D75Confident75.8Confident109 Ų10944 Ų4458%0.58320%0.204SC*.Hα-helixtrans-65.5-36.1177.7-64.9-22.8000109.6D115 R121D115-D117 WeakPolarHBondContact OD1-CB 3.26Å; D115-D117 PolarHBondContact OD1-N 2.94Å; D117-R121 WeakPolarHBondContact O-CB 3.47Å; D117-R121 WeakPolarHBondContact O-CG 3.49Å; D117-R121 PolarHBondContact O-N 3.37Å; D117-R121 PolarHBondContact O-NE 2.92Å
118M72.6Confident75.8Confident46 Ų4644 Ų4423%0.22720%0.203CC..Hα-helixtrans-63.8-48.4169.7-68.5-179.997.100111.3F81 D85 D115 M116 E120 R121 T122F81-M118 HydrophobicContact CE1-CB 4.2Å; D85-M118 HydrophobicContact CB-CE 3.79Å; D85-M118 WeakPolarHBondContact OD2-CE 3.49Å; D115-M118 HydrophobicContact CB-CB 3.94Å; D115-M118 HydrophobicContact CB-CG 3.84Å; D115-M118 HydrophobicContact CB-SD 3.77Å; D115-M118 PolarHBondContact O-N 2.95Å; D115-M118 PolarHBondContact OD1-N 3.17Å; D115-M118 WeakPolarHBondContact OD2-CG 3.38Å; M116-M118 PolarHBondContact O-N 3.17Å; M118-E120 VanDerWaalsContact C-N 3.34Å; M118-E120 PolarHBondContact O-N 2.95Å; M118-R121 PolarHBondContact O-N 3.03Å; M118-R121 VanDerWaalsContact O-N 3.09Å; M118-T122 WeakPolarHBondContact O-CG2 3.33Å; M118-T122 PolarHBondContact O-N 3.4Å
119L69.5Low76Confident2 Ų242.9 Ų42.91%0.0120%0.197CC..Hα-helixtrans-55.1-44.4178.9-82.4159.2000113.6F81 D115 M116 T122 V126 F128 P458F81-L119 HydrophobicContact CD2-CD2 4.35Å; F81-L119 HydrophobicContact CE1-CD2 3.85Å; F81-L119 HydrophobicContact CE1-CG 3.72Å; F81-L119 HydrophobicContact CE2-CD2 3.47Å; F81-L119 VanDerWaalsContact CE2-CD2 3.47Å; F81-L119 HydrophobicContact CE2-CG 4.28Å; F81-L119 HydrophobicContact CZ-CB 4.27Å; F81-L119 HydrophobicContact CZ-CD2 3.19Å; F81-L119 HydrophobicContact CZ-CG 3.54Å; D115-L119 PolarHBondContact O-N 3.17Å; M116-L119 HydrophobicContact CE-CB 4.22Å; M116-L119 HydrophobicContact CE-CD1 3.77Å; M116-L119 WeakPolarHBondContact O-CB 3.33Å; M116-L119 PolarHBondContact O-N 3.06Å; M116-L119 VanDerWaalsContact O-N 3.12Å; M116-L119 HydrophobicContact SD-CD1 3.67Å; L119-T122 PolarHBondContact O-N 3.09Å; L119-T122 PolarHBondContact O-OG1 3.37Å; L119-V126 HydrophobicContact CD2-CB 4.14Å; L119-V126 HydrophobicContact CD2-CG1 3.72Å; L119-F128 HydrophobicContact CD1-CE2 4.25Å; L119-F128 HydrophobicContact CD1-CZ 4.12Å; L119-F128 HydrophobicContact CD2-CE2 4.33Å; L119-F128 HydrophobicContact CD2-CZ 4.47Å; L119-P458 HydrophobicContact CB-CB 4.49Å
120E70.2Confident76.3Confident124 Ų12443 Ų4358%0.57920%0.197SC*.Hα-helixtrans-71.3-30.3178.4-69.1-171.717100113.1M116 M118 P458M116-E120 PolarHBondContact O-N 2.94Å; M118-E120 VanDerWaalsContact C-N 3.34Å; M118-E120 PolarHBondContact O-N 2.95Å; E120-P458 HydrophobicContact CG-CB 4.09Å
121R68.8Low76.6Confident156 Ų15643.3 Ų43.359%0.58920%0.199SC*.Hα-helixtrans-77.1-28.3176.7-75.3179.9-68.3-171.9-0.7112.9D117 M118 R123D117-R121 WeakPolarHBondContact O-CB 3.47Å; D117-R121 WeakPolarHBondContact O-CG 3.49Å; D117-R121 PolarHBondContact O-N 3.37Å; D117-R121 PolarHBondContact O-NE 2.92Å; M118-R121 PolarHBondContact O-N 3.03Å; M118-R121 VanDerWaalsContact O-N 3.09Å; R121-R123 PolarHBondContact O-N 3.35Å
122T66.4Low77.3Confident13 Ų1343.7 Ų43.78%0.0820%0.201CC..  trans-62.6121.4177.757.90000110.3F81 D85 M118 L119 I124F81-T122 HydrophobicContact CE1-CG2 4.33Å; F81-T122 HydrophobicContact CE2-CG2 4.48Å; F81-T122 HydrophobicContact CZ-CG2 3.74Å; D85-T122 HydrophobicContact CB-CG2 3.8Å; D85-T122 WeakPolarHBondContact OD1-CG2 3.08Å; M118-T122 WeakPolarHBondContact O-CG2 3.33Å; M118-T122 PolarHBondContact O-N 3.4Å; L119-T122 PolarHBondContact O-N 3.09Å; L119-T122 PolarHBondContact O-OG1 3.37Å; T122-I124 PolarHBondContact O-N 2.81Å
123R64.1Low78Confident142 Ų14243.9 Ų43.954%0.53620%0.2SC..  trans-75.2-6.5173.3-62.6-168.1179.8-179-3.2112.5L98 R121L98-R123 HydrophobicContact CD1-CB 3.98Å; L98-R123 HydrophobicContact CD1-CG 4.41Å; L98-R123 HydrophobicContact CD2-CB 3.5Å; L98-R123 VanDerWaalsContact CD2-CB 3.5Å; L98-R123 HydrophobicContact CG-CB 4.39Å; R121-R123 PolarHBondContact O-N 3.35Å
124I68Low78.5Confident8 Ų840.2 Ų40.24%0.04118%0.18CC..SBendtrans-82.1134.2178.6-61.1179.8000108.3I60 V84 S88 I101 V104 T122 V126I60-I124 HydrophobicContact CG2-CD1 3.98Å; V84-I124 HydrophobicContact CB-CD1 4.47Å; V84-I124 HydrophobicContact CG1-CB 3.74Å; V84-I124 HydrophobicContact CG1-CD1 3.44Å; V84-I124 VanDerWaalsContact CG1-CD1 3.44Å; V84-I124 HydrophobicContact CG1-CG1 4.06Å; V84-I124 HydrophobicContact CG1-CG2 3.86Å; S88-I124 WeakPolarHBondContact OG-CD1 3.39Å; I101-I124 HydrophobicContact CD1-CD1 4.23Å; I101-I124 HydrophobicContact CD1-CG1 3.95Å; I101-I124 HydrophobicContact CG2-CB 4.49Å; I101-I124 HydrophobicContact CG2-CD1 4.04Å; I101-I124 HydrophobicContact CG2-CG1 3.98Å; I101-I124 HydrophobicContact CG2-CG2 3.86Å; V104-I124 HydrophobicContact CG2-CG2 4.04Å; T122-I124 PolarHBondContact O-N 2.81Å; I124-V126 HydrophobicContact CG2-CG2 4.36Å; I124-V126 PolarHBondContact O-N 3.02Å
125R79Confident79Confident82 Ų8239.9 Ų39.931%0.30918%0.179SC..  trans-74.1101.4-176.3-63.2175.5-171.9174.86.4109.4H103 V104 P446H103-R125 WeakPolarHBondContact CA-O 3.31Å; H103-R125 VanDerWaalsContact CD2-CD 3.49Å; H103-R125 WeakPolarHBondContact CD2-CD 3.16Å; H103-R125 PolarHBondContact CE1-NH1 3.38Å; H103-R125 WeakPolarHBondContact NE2-CD 3.24Å; H103-R125 PolarHBondContact NE2-NH1 2.71Å; V104-R125 PolarHBondContact N-O 3.13Å; R125-P446 PolarHBondContact NH1-O 2.61Å; R125-P446 PolarHBondContact NH2-O 3.47Å
126V81.4Confident79.3Confident8 Ų836.5 Ų36.55%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-109.7134.9179.4-1800000109.2F81 V104 I106 L119 I124F81-V126 HydrophobicContact CD2-CG1 4.41Å; F81-V126 HydrophobicContact CD2-CG2 4.45Å; F81-V126 HydrophobicContact CE2-CB 4.17Å; F81-V126 HydrophobicContact CE2-CG1 3.89Å; F81-V126 HydrophobicContact CE2-CG2 3.6Å; F81-V126 HydrophobicContact CZ-CG2 4.49Å; V104-V126 HydrophobicContact CB-CG2 4.05Å; V104-V126 VanDerWaalsContact O-CA 3.3Å; V104-V126 WeakPolarHBondContact O-CA 3.5Å; I106-V126 HydrophobicContact CD1-CG1 4.12Å; L119-V126 HydrophobicContact CD2-CB 4.14Å; L119-V126 HydrophobicContact CD2-CG1 3.72Å; I124-V126 HydrophobicContact CG2-CG2 4.36Å; I124-V126 PolarHBondContact O-N 3.02Å
127G85.4Confident80.1Confident0 Ų035.2 Ų35.20%016%0.155CC..EExtended strand (participates in β ladder)trans-145.1159.8173.500000112.5V104 I105 I106 A456V104-G127 PolarHBondContact O-N 3.13Å; I105-G127 CarbonylContact C-O 3.57Å; I105-G127 VanDerWaalsContact CA-O 3.3Å; I105-G127 WeakPolarHBondContact CA-O 3.48Å; I106-G127 PolarHBondContact N-O 3.09Å; G127-A456 WeakPolarHBondContact CA-O 3.35Å
128F89.3Confident80.8Confident1 Ų130 Ų300%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-106.7129.3179.4-62.2-99.5000109.8I106 V110 Y114 L119 M130 S455 A456 W461I106-F128 HydrophobicContact CB-CD1 3.7Å; I106-F128 HydrophobicContact CB-CE1 3.92Å; I106-F128 HydrophobicContact CB-CG 4.43Å; I106-F128 HydrophobicContact CD1-CD1 4.14Å; I106-F128 HydrophobicContact CD1-CE1 3.49Å; I106-F128 VanDerWaalsContact CD1-CE1 3.49Å; I106-F128 HydrophobicContact CD1-CE2 4.45Å; I106-F128 HydrophobicContact CD1-CZ 3.67Å; I106-F128 HydrophobicContact CG1-CD1 4.5Å; I106-F128 HydrophobicContact CG1-CE1 4.29Å; I106-F128 HydrophobicContact CG2-CD1 3.83Å; I106-F128 HydrophobicContact CG2-CE1 3.91Å; V110-F128 HydrophobicContact CG1-CD1 3.58Å; V110-F128 HydrophobicContact CG1-CE1 3.6Å; Y114-F128 HydrophobicContact CD2-CE1 4.17Å; Y114-F128 HydrophobicContact CD2-CZ 4.33Å; Y114-F128 AromaticContact CE2-CE1 3.99Å; Y114-F128 HydrophobicContact CE2-CE1 3.99Å; Y114-F128 HydrophobicContact CG-CZ 4.47Å; L119-F128 HydrophobicContact CD1-CE2 4.25Å; L119-F128 HydrophobicContact CD1-CZ 4.12Å; L119-F128 HydrophobicContact CD2-CE2 4.33Å; L119-F128 HydrophobicContact CD2-CZ 4.47Å; F128-M130 HydrophobicContact CB-CE 3.84Å; F128-M130 PolarHBondContact O-N 2.72Å; F128-S455 CarbonylContact O-C 3.54Å; F128-S455 WeakPolarHBondContact O-CA 3.42Å; F128-S455 WeakPolarHBondContact O-CB 3.4Å; F128-A456 HydrophobicContact CB-CB 4.26Å; F128-A456 PolarHBondContact N-O 3.35Å; F128-A456 PolarHBondContact O-N 2.69Å; F128-W461 HydrophobicContact CB-CE3 4.02Å; F128-W461 HydrophobicContact CB-CZ3 4.5Å; F128-W461 AromaticContact CD1-CD2 3.84Å; F128-W461 HydrophobicContact CD1-CD2 3.84Å; F128-W461 AromaticContact CD1-CE3 3.85Å; F128-W461 HydrophobicContact CD1-CE3 3.85Å; F128-W461 HydrophobicContact CD1-CG 4.44Å; F128-W461 HydrophobicContact CD1-CH2 4.35Å; F128-W461 HydrophobicContact CD1-CZ2 4.31Å; F128-W461 HydrophobicContact CD1-CZ3 4.09Å; F128-W461 HydrophobicContact CD2-CB 3.67Å; F128-W461 AromaticContact CD2-CD2 3.65Å; F128-W461 HydrophobicContact CD2-CD2 3.65Å; F128-W461 AromaticContact CD2-CE3 3.97Å; F128-W461 HydrophobicContact CD2-CE3 3.97Å; F128-W461 AromaticContact CD2-CG 3.45Å; F128-W461 HydrophobicContact CD2-CG 3.45Å; F128-W461 VanDerWaalsContact CD2-CG 3.45Å; F128-W461 AromaticContact CE1-CD2 3.81Å; F128-W461 HydrophobicContact CE1-CD2 3.81Å; F128-W461 AromaticContact CE1-CE2 3.6Å; F128-W461 HydrophobicContact CE1-CE3 4.28Å; F128-W461 HydrophobicContact CE1-CG 4.23Å; F128-W461 HydrophobicContact CE1-CH2 4.46Å; F128-W461 AromaticContact CE1-CZ2 3.99Å; F128-W461 HydrophobicContact CE1-CZ2 3.99Å; F128-W461 AromaticContact CE1-NE1 3.83Å; F128-W461 HydrophobicContact CE2-CB 3.74Å; F128-W461 AromaticContact CE2-CD1 3.29Å; F128-W461 AromaticContact CE2-CD2 3.66Å; F128-W461 HydrophobicContact CE2-CD2 3.66Å; F128-W461 HydrophobicContact CE2-CE3 4.42Å; F128-W461 AromaticContact CE2-CG 3.22Å; F128-W461 HydrophobicContact CE2-CG 3.22Å; F128-W461 AromaticContact CE2-NE1 3.81Å; F128-W461 AromaticContact CG-CD2 3.74Å; F128-W461 HydrophobicContact CG-CD2 3.74Å; F128-W461 AromaticContact CG-CE3 3.67Å; F128-W461 HydrophobicContact CG-CE3 3.67Å; F128-W461 HydrophobicContact CG-CG 4.07Å; F128-W461 HydrophobicContact CG-CZ3 4.27Å; F128-W461 AromaticContact CZ-CD1 3.37Å; F128-W461 AromaticContact CZ-CD2 3.73Å; F128-W461 HydrophobicContact CZ-CD2 3.73Å; F128-W461 AromaticContact CZ-CE2 3.62Å; F128-W461 AromaticContact CZ-CG 3.65Å; F128-W461 HydrophobicContact CZ-CG 3.65Å; F128-W461 HydrophobicContact CZ-CZ2 4.42Å; F128-W461 AromaticContact CZ-NE1 3.38Å
129A90Very high81.5Confident2 Ų228.2 Ų28.22%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-65.3123.2-179.900000110.6I105 I106 L107 P131 W433 W436I105-A129 HydrophobicContact CG2-CB 4.09Å; I106-A129 PolarHBondContact O-N 2.73Å; L107-A129 HydrophobicContact CD1-CB 4.45Å; L107-A129 HydrophobicContact CG-CB 3.98Å; A129-P131 VanDerWaalsContact C-CD 3.48Å; A129-P131 WeakPolarHBondContact O-CD 3.37Å; A129-W433 HydrophobicContact CB-CH2 3.88Å; A129-W433 HydrophobicContact CB-CZ3 4.03Å; A129-W436 HydrophobicContact CB-CH2 4.03Å; A129-W436 HydrophobicContact CB-CZ2 3.68Å
130M90Very high82.3Confident3 Ų329 Ų292%0.01512%0.122CC..  trans-121.971.6179.1-66-60.9164.100109.9F128 L132 R133 P209 D213 A456 W461 I464F128-M130 HydrophobicContact CB-CE 3.84Å; F128-M130 PolarHBondContact O-N 2.72Å; M130-L132 VanDerWaalsContact C-N 3.31Å; M130-L132 PolarHBondContact O-N 3.29Å; M130-R133 WeakPolarHBondContact O-CG 3.49Å; M130-P209 HydrophobicContact CE-CB 4.43Å; M130-D213 WeakPolarHBondContact CB-OD2 3.17Å; M130-D213 HydrophobicContact CG-CB 4.33Å; M130-D213 HydrophobicContact SD-CB 3.83Å; M130-A456 HydrophobicContact CE-CB 3.79Å; M130-A456 HydrophobicContact CG-CB 4.06Å; M130-W461 HydrophobicContact CE-CE3 3.86Å; M130-W461 HydrophobicContact CE-CZ3 3.82Å; M130-I464 HydrophobicContact CE-CD1 3.59Å; M130-I464 HydrophobicContact SD-CD1 4.26Å
131P88Confident83.3Confident8 Ų823 Ų235%0.05210%0.095CC..G310 helixtrans-68.3-29.4-175.530.1-38.9000112.7A129 R133 H134 A432 W433 W436A129-P131 VanDerWaalsContact C-CD 3.48Å; A129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-R133 VanDerWaalsContact C-N 3.29Å; P131-R133 PolarHBondContact O-N 2.85Å; P131-H134 WeakPolarHBondContact O-CA 3.44Å; P131-H134 WeakPolarHBondContact O-CB 3.24Å; P131-H134 PolarHBondContact O-N 3.21Å; P131-A432 HydrophobicContact CB-CB 4.48Å; P131-A432 WeakPolarHBondContact O-CB 3.33Å; P131-W433 HydrophobicContact CB-CD2 3.76Å; P131-W433 HydrophobicContact CB-CE3 4.06Å; P131-W433 HydrophobicContact CB-CG 4.09Å; P131-W433 HydrophobicContact CB-CZ2 4.35Å; P131-W433 HydrophobicContact CB-CZ3 4.45Å; P131-W433 HydrophobicContact CG-CD2 3.96Å; P131-W433 HydrophobicContact CG-CE3 4.35Å; P131-W433 HydrophobicContact CG-CH2 4.04Å; P131-W433 HydrophobicContact CG-CZ2 3.63Å; P131-W433 HydrophobicContact CG-CZ3 4.39Å; P131-W436 HydrophobicContact CB-CB 4.35Å
132L89Confident84.3Confident8 Ų815.8 Ų15.84%0.0427%0.068CC..G310 helixtrans-63.5-29-170.1-61.6-172000113.7M130 H134 L135 L211 T429M130-L132 VanDerWaalsContact C-N 3.31Å; M130-L132 PolarHBondContact O-N 3.29Å; L132-H134 PolarHBondContact O-N 2.78Å; L132-L135 HydrophobicContact CB-CD1 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.21Å; L132-L135 VanDerWaalsContact O-CB 3.3Å; L132-L135 WeakPolarHBondContact O-CB 3.21Å; L132-L135 VanDerWaalsContact O-CD1 3.23Å; L132-L135 WeakPolarHBondContact O-CD1 3.01Å; L132-L135 WeakPolarHBondContact O-CG 3.41Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-L135 VanDerWaalsContact O-N 3.13Å; L132-L211 HydrophobicContact CD1-CD2 3.73Å; L132-L211 HydrophobicContact CD1-CG 4.19Å; L132-T429 HydrophobicContact CD2-CG2 4.34Å
133R87Confident85.1Confident20 Ų2016.9 Ų16.98%0.0758%0.075CC..G310 helixtrans-64.1-19.1171.868.9175.364.5176.80.6113.6M130 P131 L135 T139 D213 F217 E452 S453M130-R133 WeakPolarHBondContact O-CG 3.49Å; P131-R133 VanDerWaalsContact C-N 3.29Å; P131-R133 PolarHBondContact O-N 2.85Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-T139 PolarHBondContact O-OG1 3.14Å; R133-D213 IonicContact CZ-OD1 3.72Å; R133-D213 IonicContact CZ-OD2 3.35Å; R133-D213 VanDerWaalsContact CZ-OD2 3.31Å; R133-D213 IonicContact NE-OD1 3.83Å; R133-D213 IonicContact NE-OD2 2.84Å; R133-D213 PolarHBondContact NE-OD2 3.47Å; R133-D213 IonicContact NH2-OD1 2.75Å; R133-D213 PolarHBondContact NH2-OD1 2.82Å; R133-D213 IonicContact NH2-OD2 2.8Å; R133-D213 PolarHBondContact NH2-OD2 2.79Å; R133-D213 VanDerWaalsContact NH2-OD2 3.1Å; R133-F217 HydrophobicContact CB-CB 4.42Å; R133-F217 HydrophobicContact CB-CD1 3.96Å; R133-F217 HydrophobicContact CB-CE1 4.3Å; R133-F217 HydrophobicContact CB-CG 4.06Å; R133-E452 PolarHBondContact NH1-O 2.97Å; R133-S453 WeakPolarHBondContact CD-O 3.38Å; R133-S453 VanDerWaalsContact NH1-C 3.34Å; R133-S453 PolarHBondContact NH1-O 3.23Å
134H86.9Confident86.2Confident4 Ų412 Ų122%0.0196%0.058CC..G310 helixtrans-94.311.4177.6-60.8-77000113.3P131 L132 N435 W436P131-H134 WeakPolarHBondContact O-CA 3.44Å; P131-H134 WeakPolarHBondContact O-CB 3.24Å; P131-H134 PolarHBondContact O-N 3.21Å; L132-H134 PolarHBondContact O-N 2.78Å; H134-N435 HydrophobicContact CB-CB 3.92Å; H134-N435 PolarHBondContact O-ND2 2.75Å; H134-N435 VanDerWaalsContact O-ND2 3.14Å; H134-W436 AromaticContact CD2-CD1 3.65Å; H134-W436 AromaticContact NE2-CD1 3.76Å
135L87.9Confident87Confident0 Ų013.9 Ų13.90%07%0.068CC..  trans-58.6138.6167.2-77164.3000109.8L132 R133 L137 S138 T139 L214 L304 E319 A428 A432L132-L135 HydrophobicContact CB-CD1 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.21Å; L132-L135 VanDerWaalsContact O-CB 3.3Å; L132-L135 WeakPolarHBondContact O-CB 3.21Å; L132-L135 VanDerWaalsContact O-CD1 3.23Å; L132-L135 WeakPolarHBondContact O-CD1 3.01Å; L132-L135 WeakPolarHBondContact O-CG 3.41Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-L135 VanDerWaalsContact O-N 3.13Å; R133-L135 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 2.98Å; L135-S138 PolarHBondContact O-N 3.2Å; L135-T139 VanDerWaalsContact O-CB 3.31Å; L135-T139 WeakPolarHBondContact O-CB 3.34Å; L135-T139 PolarHBondContact O-N 3.01Å; L135-T139 PolarHBondContact O-OG1 3.48Å; L135-L214 HydrophobicContact CD1-CD2 4.39Å; L135-L304 HydrophobicContact CD1-CD2 3.28Å; L135-E319 HydrophobicContact CB-CG 4.46Å; L135-E319 WeakPolarHBondContact CB-OE1 3.34Å; L135-E319 HydrophobicContact CD1-CG 4.32Å; L135-E319 HydrophobicContact CD2-CG 4.2Å; L135-A428 HydrophobicContact CD2-CB 3.94Å; L135-A428 VanDerWaalsContact CD2-O 3.31Å; L135-A428 WeakPolarHBondContact CD2-O 3.43Å; L135-A432 HydrophobicContact CD2-CB 3.8Å; L135-A432 HydrophobicContact CG-CB 3.9Å
136P83.8Confident86.9Confident3 Ų313.5 Ų13.52%0.0197%0.072CC..Hα-helixtrans-58.8-52-168.8-19.226.8000113.3L140 Y158 E319 L406 E431P136-L140 WeakPolarHBondContact O-CB 3.43Å; P136-L140 PolarHBondContact O-N 3.33Å; P136-L140 VanDerWaalsContact O-N 3.08Å; P136-Y158 HydrophobicContact CB-CE1 4.42Å; P136-Y158 HydrophobicContact CB-CE2 3.87Å; P136-Y158 HydrophobicContact CG-CE2 4.24Å; P136-Y158 WeakPolarHBondContact CG-OH 3.48Å; P136-E319 WeakPolarHBondContact CD-OE2 3.4Å; P136-L406 HydrophobicContact CB-CD2 3.63Å; P136-E431 HydrophobicContact CG-CB 4.35Å; P136-E431 WeakPolarHBondContact CG-OE2 3.03Å
137L89.5Confident86.2Confident1 Ų119.5 Ų19.51%0.00510%0.095CC..Hα-helixtrans-76.8-35.1-176.1-60.4171.1000111.6L135 T139 L140 L141 I317 E319 R323 I324 L406L135-L137 PolarHBondContact O-N 2.98Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-L140 HydrophobicContact CD2-CD2 4.45Å; L137-L140 WeakPolarHBondContact O-CB 3.29Å; L137-L140 PolarHBondContact O-N 3.43Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 3.29Å; L137-I317 HydrophobicContact CB-CD1 4.43Å; L137-I317 HydrophobicContact CB-CG1 4.41Å; L137-I317 HydrophobicContact CB-CG2 3.61Å; L137-I317 HydrophobicContact CD1-CG2 3.72Å; L137-I317 HydrophobicContact CG-CG2 4.35Å; L137-E319 WeakPolarHBondContact CB-OE1 3.13Å; L137-E319 PolarHBondContact N-OE1 3.27Å; L137-E319 PolarHBondContact N-OE2 3.22Å; L137-R323 WeakPolarHBondContact CD1-O 3.4Å; L137-I324 HydrophobicContact CD2-CB 4.26Å; L137-I324 HydrophobicContact CD2-CG2 4.18Å; L137-L406 HydrophobicContact CD2-CB 3.86Å; L137-L406 HydrophobicContact CD2-CD2 4.18Å; L137-L406 HydrophobicContact CD2-CG 4.48Å
138S90.3Very high84.6Confident0 Ų025.8 Ų25.80%012%0.122CC..Hα-helixtrans-61.9-42.5174.3-56.80000111.8L135 L141 S142 I306 E319L135-S138 PolarHBondContact O-N 3.2Å; S138-L141 PolarHBondContact O-N 2.77Å; S138-S142 WeakPolarHBondContact O-CB 3.43Å; S138-S142 PolarHBondContact O-N 2.9Å; S138-I306 WeakPolarHBondContact OG-CD1 3.35Å; S138-E319 PolarHBondContact N-OE1 2.98Å; S138-E319 PolarHBondContact OG-OE1 3.37Å
139T87.1Confident82.2Confident8 Ų836.2 Ų36.25%0.04916%0.163CC..Hα-helixtrans-63.2-44.7174-55.80000110.9R133 L135 L137 S142 T143R133-T139 PolarHBondContact O-OG1 3.14Å; L135-T139 VanDerWaalsContact O-CB 3.31Å; L135-T139 WeakPolarHBondContact O-CB 3.34Å; L135-T139 PolarHBondContact O-N 3.01Å; L135-T139 PolarHBondContact O-OG1 3.48Å; L137-T139 VanDerWaalsContact C-N 3.35Å; T139-S142 PolarHBondContact O-N 3.48Å; T139-T143 WeakPolarHBondContact O-CB 3.14Å; T139-T143 PolarHBondContact O-N 3.13Å; T139-T143 PolarHBondContact O-OG1 3.27Å
140L87.1Confident79.7Confident17 Ų1745.1 Ų45.19%0.08920%0.201CC..Hα-helixtrans-60.2-47.9178.1175.559000111.5P136 L137 T143 H144 T161 L163 L391 L406P136-L140 WeakPolarHBondContact O-CB 3.43Å; P136-L140 PolarHBondContact O-N 3.33Å; P136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CD2-CD2 4.45Å; L137-L140 WeakPolarHBondContact O-CB 3.29Å; L137-L140 PolarHBondContact O-N 3.43Å; L140-T143 PolarHBondContact O-N 3.4Å; L140-H144 WeakPolarHBondContact O-CB 3.23Å; L140-H144 PolarHBondContact O-N 3.38Å; L140-T161 WeakPolarHBondContact CD1-O 3.43Å; L140-L163 HydrophobicContact CD1-CD2 4.42Å; L140-L163 HydrophobicContact CD1-CG 4.04Å; L140-L163 HydrophobicContact CD2-CD2 3.62Å; L140-L163 HydrophobicContact CD2-CG 4.07Å; L140-L163 HydrophobicContact CG-CD1 4.13Å; L140-L163 HydrophobicContact CG-CD2 3.93Å; L140-L163 HydrophobicContact CG-CG 3.8Å; L140-L391 HydrophobicContact CD2-CD1 4.5Å; L140-L406 HydrophobicContact CD2-CD1 4.31Å
141L91.2Very high77.2Confident0 Ų053.8 Ų53.80%024%0.242CC..Hα-helixtrans-63.4-47.9177.3178.560.3000111.3L137 S138 T143 H144 L145 L163 L218 V308 F315 I317 I324L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 3.29Å; S138-L141 PolarHBondContact O-N 2.77Å; L141-T143 VanDerWaalsContact C-N 3.3Å; L141-T143 PolarHBondContact O-N 3.27Å; L141-H144 WeakPolarHBondContact O-CB 3.38Å; L141-H144 PolarHBondContact O-N 3.46Å; L141-H144 VanDerWaalsContact O-N 3.07Å; L141-L145 HydrophobicContact CD1-CD1 3.94Å; L141-L145 HydrophobicContact CD1-CD2 4.1Å; L141-L145 HydrophobicContact CD1-CG 3.78Å; L141-L145 HydrophobicContact CD2-CD1 4.37Å; L141-L145 HydrophobicContact CG-CD1 3.87Å; L141-L145 HydrophobicContact CG-CG 4.12Å; L141-L145 WeakPolarHBondContact O-CG 3.06Å; L141-L145 PolarHBondContact O-N 3.27Å; L141-L163 HydrophobicContact CD1-CD1 4.37Å; L141-L218 HydrophobicContact CD2-CD2 4.25Å; L141-L218 HydrophobicContact CG-CD2 4.45Å; L141-V308 HydrophobicContact CD2-CB 4.39Å; L141-V308 HydrophobicContact CD2-CG2 3.88Å; L141-F315 HydrophobicContact CD1-CB 4.42Å; L141-F315 HydrophobicContact CD1-CD1 4.11Å; L141-F315 HydrophobicContact CD1-CD2 3.52Å; L141-F315 HydrophobicContact CD1-CE1 4.28Å; L141-F315 HydrophobicContact CD1-CE2 3.68Å; L141-F315 HydrophobicContact CD1-CG 3.74Å; L141-F315 HydrophobicContact CD1-CZ 4.06Å; L141-F315 HydrophobicContact CD2-CB 4.14Å; L141-F315 HydrophobicContact CD2-CD2 4.36Å; L141-F315 HydrophobicContact CD2-CG 4.32Å; L141-I317 HydrophobicContact CB-CD1 3.92Å; L141-I317 HydrophobicContact CD2-CD1 3.51Å; L141-I317 HydrophobicContact CD2-CG1 4.42Å; L141-I317 HydrophobicContact CG-CD1 4.34Å; L141-I324 HydrophobicContact CB-CD1 4.13Å; L141-I324 HydrophobicContact CD1-CD1 4.33Å
142S88.5Confident75Confident4 Ų457.1 Ų57.13%0.02826%0.258CS..Hα-helixtrans-58.3-43178.3178.80000112S138 T139 H144 L145 N146 F217S138-S142 WeakPolarHBondContact O-CB 3.43Å; S138-S142 PolarHBondContact O-N 2.9Å; T139-S142 PolarHBondContact O-N 3.48Å; S142-H144 VanDerWaalsContact C-N 3.3Å; S142-H144 PolarHBondContact O-N 3.26Å; S142-L145 PolarHBondContact O-N 3.24Å; S142-N146 VanDerWaalsContact O-CB 3.26Å; S142-N146 WeakPolarHBondContact O-CB 3.21Å; S142-N146 PolarHBondContact O-N 2.87Å; S142-N146 PolarHBondContact O-ND2 3.07Å; S142-N146 PolarHBondContact OG-ND2 3.09Å; S142-F217 VanDerWaalsContact CB-CZ 3.41Å; S142-F217 VanDerWaalsContact OG-CE1 3.28Å; S142-F217 WeakPolarHBondContact OG-CE1 3.49Å; S142-F217 WeakPolarHBondContact OG-CE2 3.4Å; S142-F217 WeakPolarHBondContact OG-CZ 3.47Å
143T83.1Confident72.8Confident36 Ų3664.8 Ų64.822%0.22129%0.291CS..Hα-helixtrans-61.5-40.2175.8-54.30000111.5T139 L140 L141 Y147 I152T139-T143 WeakPolarHBondContact O-CB 3.14Å; T139-T143 PolarHBondContact O-N 3.13Å; T139-T143 PolarHBondContact O-OG1 3.27Å; L140-T143 PolarHBondContact O-N 3.4Å; L141-T143 VanDerWaalsContact C-N 3.3Å; L141-T143 PolarHBondContact O-N 3.27Å; T143-Y147 PolarHBondContact O-N 2.85Å; T143-I152 HydrophobicContact CG2-CD1 3.84Å; T143-I152 HydrophobicContact CG2-CG2 4.45Å
144H86.8Confident70.6Confident40 Ų4067.2 Ų67.219%0.18532%0.315CS..Hα-helixtrans-67.1-45.7178.1-178.671.9000112.6L140 L141 S142 N146 Y147 L163 P164 W167L140-H144 WeakPolarHBondContact O-CB 3.23Å; L140-H144 PolarHBondContact O-N 3.38Å; L141-H144 WeakPolarHBondContact O-CB 3.38Å; L141-H144 PolarHBondContact O-N 3.46Å; L141-H144 VanDerWaalsContact O-N 3.07Å; S142-H144 VanDerWaalsContact C-N 3.3Å; S142-H144 PolarHBondContact O-N 3.26Å; H144-N146 VanDerWaalsContact C-N 3.33Å; H144-N146 PolarHBondContact O-N 3.29Å; H144-Y147 WeakPolarHBondContact O-CB 3.42Å; H144-Y147 PolarHBondContact O-N 2.7Å; H144-L163 HydrophobicContact CB-CB 4.36Å; H144-L163 HydrophobicContact CB-CD1 3.84Å; H144-L163 HydrophobicContact CB-CG 4.37Å; H144-P164 PolarHBondContact CE1-O 3.1Å; H144-W167 PolarHBondContact NE2-O 3.13Å
145L85.6Confident68.6Low47 Ų4770 Ų7025%0.24633%0.33CS..Hα-helixtrans-67.2-34.9178.5-64.5-179.7000112.3L141 S142 L169 F315L141-L145 HydrophobicContact CD1-CD1 3.94Å; L141-L145 HydrophobicContact CD1-CD2 4.1Å; L141-L145 HydrophobicContact CD1-CG 3.78Å; L141-L145 HydrophobicContact CD2-CD1 4.37Å; L141-L145 HydrophobicContact CG-CD1 3.87Å; L141-L145 HydrophobicContact CG-CG 4.12Å; L141-L145 WeakPolarHBondContact O-CG 3.06Å; L141-L145 PolarHBondContact O-N 3.27Å; S142-L145 PolarHBondContact O-N 3.24Å; L145-L169 HydrophobicContact CD1-CD2 3.86Å; L145-L169 HydrophobicContact CD2-CB 3.63Å; L145-L169 HydrophobicContact CD2-CD2 3.65Å; L145-L169 HydrophobicContact CD2-CG 4.28Å; L145-L169 HydrophobicContact CG-CD2 4.42Å; L145-F315 HydrophobicContact CD2-CE2 3.91Å
146N78Confident66.7Low73 Ų7371.1 Ų71.139%0.3934%0.338SS..THydrogen-bonded Turntrans-94.117.8-178.9-65.4-50.2000113.4S142 H144 K148S142-N146 VanDerWaalsContact O-CB 3.26Å; S142-N146 WeakPolarHBondContact O-CB 3.21Å; S142-N146 PolarHBondContact O-N 2.87Å; S142-N146 PolarHBondContact O-ND2 3.07Å; S142-N146 PolarHBondContact OG-ND2 3.09Å; H144-N146 VanDerWaalsContact C-N 3.33Å; H144-N146 PolarHBondContact O-N 3.29Å; N146-K148 PolarHBondContact O-N 3.43Å
147Y65.9Low64.8Low135 Ų13574 Ų7453%0.52935%0.353SS..  trans-72.759.6180-165.8-97.4000112.5T143 H144 R162T143-Y147 PolarHBondContact O-N 2.85Å; H144-Y147 WeakPolarHBondContact O-CB 3.42Å; H144-Y147 PolarHBondContact O-N 2.7Å; Y147-R162 VanDerWaalsContact OH-CZ 3.31Å; Y147-R162 PolarHBondContact OH-NH1 3.33Å; Y147-R162 PolarHBondContact OH-NH2 2.88Å
148K51Low62.8Low131 Ų13175.8 Ų75.857%0.5736%0.36SS*.SBendtrans-137.9119.5170.8-76-172.7175.3-172.50110.4N146 H353N146-K148 PolarHBondContact O-N 3.43Å; K148-H353 WeakPolarHBondContact CE-NE2 3.18Å; K148-H353 PolarHBondContact NZ-CD2 3.1Å; K148-H353 PolarHBondContact NZ-CE1 2.75Å; K148-H353 PolarHBondContact NZ-NE2 2.63Å
149Y40.3Very low60.7Low221 Ų22181 Ų8187%0.86739%0.385SS*.SBendtrans58.4112.7164.2-100.6-97.4000117.3
150K36Very low59Low189 Ų18984.8 Ų84.882%0.82240%0.403SS*.SBendtrans86.6122.9166-61.6-178.6174.6179.40117.1I152K150-I152 PolarHBondContact O-N 2.71Å
151E39.2Very low57.6Low185 Ų18585.2 Ų85.286%0.86441%0.407SS*.  trans487.5165.7-66.4-176.9153.300116.6K153E151-K153 PolarHBondContact O-N 3.19Å
152I40.1Very low56.5Low77 Ų7790.9 Ų90.940%0.39543%0.428SS..  trans-74.399.4162.8-56.8176.6000106.9T143 K150 A154T143-I152 HydrophobicContact CG2-CD1 3.84Å; T143-I152 HydrophobicContact CG2-CG2 4.45Å; K150-I152 PolarHBondContact O-N 2.71Å; I152-A154 PolarHBondContact O-N 3.28Å
153K43.1Very low56.3Low170 Ų17090.9 Ų90.974%0.73943%0.428SS*.  trans-61126.9162.8-78.6-178.8178.1176.10107.5E151 L155E151-K153 PolarHBondContact O-N 3.19Å; K153-L155 PolarHBondContact O-N 3.24Å
154A41.8Very low56.4Low70 Ų7089.7 Ų89.758%0.57942%0.42SS*.  trans-53.5108.8-179.700000110.2I152 S156 I160I152-A154 PolarHBondContact O-N 3.28Å; A154-S156 PolarHBondContact O-N 2.94Å; A154-I160 HydrophobicContact CB-CD1 4.45Å
155L43.6Very low56.2Low62 Ų6293.6 Ų93.633%0.32545%0.447SS..  trans-78.8-1-180-80.1159.5000112.6K153K153-L155 PolarHBondContact O-N 3.24Å
156S48.3Very low56.2Low24 Ų2495.4 Ų95.417%0.16845%0.454CS..SBendtrans-150161.7-176.1630000111.9A154 Y158A154-S156 PolarHBondContact O-N 2.94Å; S156-Y158 PolarHBondContact O-N 3.14Å; S156-Y158 WeakPolarHBondContact OG-CD2 3.48Å
157N45.5Very low56.8Low65 Ų6592 Ų9235%0.34844%0.436SS..SBendtrans-73.51.5175.6-67.5-20.2000113.3E159 K409 K442N157-E159 PolarHBondContact O-N 2.93Å; N157-K409 PolarHBondContact O-NZ 3.38Å; N157-K442 WeakPolarHBondContact OD1-CE 3.21Å; N157-K442 PolarHBondContact OD1-NZ 3.45Å
158Y47Very low57.9Low38 Ų3890.5 Ų90.515%0.14944%0.437CS..SBendtrans-72.8122.1175.2-56.3-65.9000107.2P136 S156 I160 E431 N435P136-Y158 HydrophobicContact CB-CE1 4.42Å; P136-Y158 HydrophobicContact CB-CE2 3.87Å; P136-Y158 HydrophobicContact CG-CE2 4.24Å; P136-Y158 WeakPolarHBondContact CG-OH 3.48Å; S156-Y158 PolarHBondContact O-N 3.14Å; S156-Y158 WeakPolarHBondContact OG-CD2 3.48Å; Y158-I160 PolarHBondContact O-N 3.4Å; Y158-I160 VanDerWaalsContact O-N 3.14Å; Y158-E431 PolarHBondContact OH-OE2 3.09Å; Y158-N435 WeakPolarHBondContact CE2-ND2 3.3Å; Y158-N435 PolarHBondContact OH-ND2 2.93Å
159E45.9Very low59.8Low110 Ų11084.7 Ų84.751%0.51441%0.412SS..  trans-56.5124.4163.2-80161.5142.400104.6N157 T161 K409N157-E159 PolarHBondContact O-N 2.93Å; E159-T161 PolarHBondContact O-N 3.39Å; E159-K409 IonicContact OE2-NZ 3.1Å; E159-K409 PolarHBondContact OE2-NZ 2.85Å
160I50.8Low62.1Low87 Ų8776.3 Ų76.345%0.44639%0.393SS..  trans-58.592.1-169.4-60.4166.6000108.1A154 Y158 R162A154-I160 HydrophobicContact CB-CD1 4.45Å; Y158-I160 PolarHBondContact O-N 3.4Å; Y158-I160 VanDerWaalsContact O-N 3.14Å; I160-R162 HydrophobicContact CG2-CG 4.34Å
161T57.3Low64.6Low25 Ų2571.5 Ų71.515%0.15338%0.376CS..PPolyproline II helixtrans-73.5129.1164.740.60000105.6L140 E159 L391L140-T161 WeakPolarHBondContact CD1-O 3.43Å; E159-T161 PolarHBondContact O-N 3.39Å; T161-L391 HydrophobicContact CG2-CD1 4.04Å; T161-L391 HydrophobicContact CG2-CD2 3.89Å; T161-L391 HydrophobicContact CG2-CG 3.84Å
162R69.5Low67Low120 Ų12064.3 Ų64.345%0.45334%0.343SS..PPolyproline II helixtrans-94.3134.2175-68.8-174.9176-161.9-5.6107.7Y147 I160 P388Y147-R162 VanDerWaalsContact OH-CZ 3.31Å; Y147-R162 PolarHBondContact OH-NH1 3.33Å; Y147-R162 PolarHBondContact OH-NH2 2.88Å; I160-R162 HydrophobicContact CG2-CG 4.34Å; R162-P388 HydrophobicContact CG-CB 4.47Å
163L84Confident69.5Low3 Ų364.4 Ų64.42%0.01634%0.342CS..PPolyproline II helixtrans-64.5157.4165.6-65.4176.9000109.3L140 L141 H144 T165 W167 I324L140-L163 HydrophobicContact CD1-CD2 4.42Å; L140-L163 HydrophobicContact CD1-CG 4.04Å; L140-L163 HydrophobicContact CD2-CD2 3.62Å; L140-L163 HydrophobicContact CD2-CG 4.07Å; L140-L163 HydrophobicContact CG-CD1 4.13Å; L140-L163 HydrophobicContact CG-CD2 3.93Å; L140-L163 HydrophobicContact CG-CG 3.8Å; L141-L163 HydrophobicContact CD1-CD1 4.37Å; H144-L163 HydrophobicContact CB-CB 4.36Å; H144-L163 HydrophobicContact CB-CD1 3.84Å; H144-L163 HydrophobicContact CB-CG 4.37Å; L163-T165 PolarHBondContact O-N 3.5Å; L163-W167 HydrophobicContact CB-CE3 3.97Å; L163-W167 HydrophobicContact CD1-CE3 4.09Å; L163-W167 HydrophobicContact CD1-CZ3 4.34Å; L163-W167 HydrophobicContact CD2-CE3 4.09Å; L163-W167 HydrophobicContact CD2-CZ3 3.8Å; L163-W167 HydrophobicContact CG-CE3 4.27Å; L163-W167 HydrophobicContact CG-CZ3 4.45Å; L163-I324 HydrophobicContact CD1-CD1 3.79Å; L163-I324 HydrophobicContact CD2-CD1 4.43Å; L163-I324 HydrophobicContact CD2-CG2 3.82Å
164P84.9Confident72.1Confident11 Ų1157.2 Ų57.27%0.07131%0.313CS..PPolyproline II helixtrans-54.9136179.2-25.334.6000111.9H144 H166 W167 I393 V404H144-P164 PolarHBondContact CE1-O 3.1Å; P164-H166 WeakPolarHBondContact CB-CE1 3.36Å; P164-H166 WeakPolarHBondContact CB-ND1 3.46Å; P164-H166 PolarHBondContact O-N 3.48Å; P164-W167 HydrophobicContact CB-CD2 4.23Å; P164-W167 HydrophobicContact CB-CG 4.02Å; P164-W167 HydrophobicContact CG-CD2 3.96Å; P164-W167 HydrophobicContact CG-CG 4.29Å; P164-W167 HydrophobicContact CG-CZ2 4.02Å; P164-W167 VanDerWaalsContact O-CB 3.31Å; P164-W167 WeakPolarHBondContact O-CB 3.39Å; P164-W167 PolarHBondContact O-N 2.94Å; P164-W167 VanDerWaalsContact O-N 3.08Å; P164-I393 HydrophobicContact CB-CD1 4.07Å; P164-I393 HydrophobicContact CG-CD1 3.43Å; P164-I393 VanDerWaalsContact CG-CD1 3.43Å; P164-I393 HydrophobicContact CG-CG1 3.98Å; P164-V404 HydrophobicContact CG-CG2 4.49Å
165T82.4Confident74.7Confident122 Ų12253.9 Ų53.975%0.74829%0.285SS*.THydrogen-bonded Turntrans-67.5-20.3-170.549.80000113.7L163 W167L163-T165 PolarHBondContact O-N 3.5Å; T165-W167 VanDerWaalsContact C-N 3.33Å
166H85.8Confident77.3Confident86 Ų8654.1 Ų54.140%0.39829%0.285SS..THydrogen-bonded Turntrans-83.6-6.3176.866.8-73.3000113.7P164 L168 E402P164-H166 WeakPolarHBondContact CB-CE1 3.36Å; P164-H166 WeakPolarHBondContact CB-ND1 3.46Å; P164-H166 PolarHBondContact O-N 3.48Å; H166-L168 PolarHBondContact O-N 3.35Å; H166-E402 IonicContact CD2-OE1 3.13Å; H166-E402 IonicContact CE1-OE1 3.65Å; H166-E402 IonicContact CE1-OE2 3.49Å; H166-E402 PolarHBondContact CE1-OE2 3.41Å; H166-E402 IonicContact NE2-OE1 3.43Å; H166-E402 PolarHBondContact NE2-OE1 3.03Å; H166-E402 IonicContact NE2-OE2 3.7Å; H166-E402 PolarHBondContact NE2-OE2 2.85Å
167W90.8Very high79.7Confident0 Ų053.1 Ų53.10%028%0.278CS..  trans-73.974.7175.6-70.513.8000110.7H144 L163 P164 T165 F315 I324 W326 E402 V404H144-W167 PolarHBondContact NE2-O 3.13Å; L163-W167 HydrophobicContact CB-CE3 3.97Å; L163-W167 HydrophobicContact CD1-CE3 4.09Å; L163-W167 HydrophobicContact CD1-CZ3 4.34Å; L163-W167 HydrophobicContact CD2-CE3 4.09Å; L163-W167 HydrophobicContact CD2-CZ3 3.8Å; L163-W167 HydrophobicContact CG-CE3 4.27Å; L163-W167 HydrophobicContact CG-CZ3 4.45Å; P164-W167 HydrophobicContact CB-CD2 4.23Å; P164-W167 HydrophobicContact CB-CG 4.02Å; P164-W167 HydrophobicContact CG-CD2 3.96Å; P164-W167 HydrophobicContact CG-CG 4.29Å; P164-W167 HydrophobicContact CG-CZ2 4.02Å; P164-W167 VanDerWaalsContact O-CB 3.31Å; P164-W167 WeakPolarHBondContact O-CB 3.39Å; P164-W167 PolarHBondContact O-N 2.94Å; P164-W167 VanDerWaalsContact O-N 3.08Å; T165-W167 VanDerWaalsContact C-N 3.33Å; W167-F315 HydrophobicContact CB-CE1 3.87Å; W167-F315 HydrophobicContact CB-CZ 3.82Å; W167-F315 AromaticContact CD2-CE1 3.98Å; W167-F315 HydrophobicContact CD2-CE1 3.98Å; W167-F315 HydrophobicContact CE3-CD1 4.13Å; W167-F315 AromaticContact CE3-CE1 3.41Å; W167-F315 HydrophobicContact CE3-CE1 3.41Å; W167-F315 VanDerWaalsContact CE3-CE1 3.41Å; W167-F315 HydrophobicContact CE3-CZ 4.38Å; W167-F315 HydrophobicContact CG-CE1 4.25Å; W167-F315 HydrophobicContact CZ3-CD1 4.38Å; W167-F315 HydrophobicContact CZ3-CE1 4.09Å; W167-I324 HydrophobicContact CH2-CG2 4.44Å; W167-I324 HydrophobicContact CZ3-CD1 4.48Å; W167-I324 HydrophobicContact CZ3-CG1 4.2Å; W167-I324 HydrophobicContact CZ3-CG2 4.09Å; W167-W326 HydrophobicContact CB-CD2 4.18Å; W167-W326 HydrophobicContact CB-CG 4.12Å; W167-W326 AromaticContact CD1-CD1 3.2Å; W167-W326 AromaticContact CD1-CG 3.61Å; W167-W326 AromaticContact CD1-NE1 3.81Å; W167-W326 HydrophobicContact CD2-CB 3.38Å; W167-W326 AromaticContact CD2-CG 3.72Å; W167-W326 HydrophobicContact CD2-CG 3.72Å; W167-W326 AromaticContact CE2-CD1 3.94Å; W167-W326 AromaticContact CE2-CG 3.8Å; W167-W326 HydrophobicContact CE3-CB 3.79Å; W167-W326 HydrophobicContact CE3-CG 4.44Å; W167-W326 HydrophobicContact CG-CB 3.84Å; W167-W326 AromaticContact CG-CD1 3.65Å; W167-W326 HydrophobicContact CG-CD2 4.16Å; W167-W326 AromaticContact CG-CG 3.58Å; W167-W326 HydrophobicContact CG-CG 3.58Å; W167-W326 HydrophobicContact CH2-CB 3.82Å; W167-W326 HydrophobicContact CZ2-CB 3.52Å; W167-W326 HydrophobicContact CZ2-CG 4.49Å; W167-W326 HydrophobicContact CZ3-CB 3.96Å; W167-W326 AromaticContact NE1-CD1 3.43Å; W167-W326 AromaticContact NE1-CG 3.76Å; W167-E402 HydrophobicContact CZ2-CB 3.65Å; W167-E402 PolarHBondContact NE1-OE2 2.9Å; W167-V404 HydrophobicContact CH2-CB 4Å; W167-V404 HydrophobicContact CH2-CG2 3.6Å; W167-V404 HydrophobicContact CZ2-CG2 3.9Å; W167-V404 HydrophobicContact CZ3-CG2 4.38Å
168L89.2Confident82.1Confident105 Ų10553 Ų5355%0.5527%0.274SS..  trans-96.5119.7-177.4-62.7172.6000110H166 T312 W326H166-L168 PolarHBondContact O-N 3.35Å; L168-T312 WeakPolarHBondContact O-CB 3.19Å; L168-T312 PolarHBondContact O-OG1 2.84Å; L168-W326 WeakPolarHBondContact O-CH2 3.34Å; L168-W326 WeakPolarHBondContact O-CZ2 3.34Å
169L90.8Very high84.3Confident9 Ų951.2 Ų51.25%0.04727%0.267CS..  trans-73.2-33177.1-168.957.2000113.7L145 I172 V308 G310 S311 T312 F315 W326L145-L169 HydrophobicContact CD1-CD2 3.86Å; L145-L169 HydrophobicContact CD2-CB 3.63Å; L145-L169 HydrophobicContact CD2-CD2 3.65Å; L145-L169 HydrophobicContact CD2-CG 4.28Å; L145-L169 HydrophobicContact CG-CD2 4.42Å; L169-I172 HydrophobicContact CD2-CG1 3.86Å; L169-V308 HydrophobicContact CD1-CG1 4.26Å; L169-V308 WeakPolarHBondContact CD1-O 3.38Å; L169-V308 HydrophobicContact CD2-CG1 3.58Å; L169-G310 CarbonylContact O-C 3.55Å; L169-G310 WeakPolarHBondContact O-CA 3.41Å; L169-S311 PolarHBondContact O-N 3.15Å; L169-T312 PolarHBondContact O-N 2.88Å; L169-T312 PolarHBondContact O-OG1 2.82Å; L169-F315 HydrophobicContact CB-CE2 3.99Å; L169-F315 HydrophobicContact CD1-CD2 3.84Å; L169-F315 HydrophobicContact CD1-CE2 4.04Å; L169-F315 HydrophobicContact CG-CE2 4.45Å; L169-W326 HydrophobicContact CD1-CZ3 4.33Å
170G88.2Confident86.4Confident45 Ų4549.6 Ų49.646%0.46426%0.256SS..  trans67.2-144.6-167.100000111.3S311 T312G170-S311 WeakPolarHBondContact CA-OG 3.33Å; G170-T312 PolarHBondContact N-OG1 2.84Å; G170-T312 VanDerWaalsContact N-OG1 3.12Å
171N87.6Confident88Confident87 Ų8745.7 Ų45.747%0.46524%0.236SC..SBendtrans-74.8133.1177.9-64.8-31.7000110.4E173 G310 S311N171-E173 PolarHBondContact O-N 2.92Å; N171-G310 CarbonylContact O-C 3.59Å; N171-G310 WeakPolarHBondContact O-CA 3.27Å; N171-S311 PolarHBondContact N-OG 3.47Å; N171-S311 PolarHBondContact O-N 3.35Å
172I91.1Very high89Confident34 Ų3444.6 Ų44.617%0.17423%0.229CC..EExtended strand (participates in β ladder)trans-64.5129.3175.5-59179.8000109.2L169 I175 P271L169-I172 HydrophobicContact CD2-CG1 3.86Å; I172-I175 HydrophobicContact CG2-CD1 4.44Å; I172-I175 HydrophobicContact CG2-CG1 4.19Å; I172-P271 HydrophobicContact CG2-CB 4.27Å; I172-P271 WeakPolarHBondContact O-CG 3.28Å
173E93Very high89.3Confident79 Ų7940.1 Ų40.137%0.36922%0.215SC..EExtended strand (participates in β ladder)trans-112.4-38.3177-66.8-174.6-172.400111.9N171 P271 V272 N309 S311 R329N171-E173 PolarHBondContact O-N 2.92Å; E173-P271 WeakPolarHBondContact O-CA 3.34Å; E173-V272 PolarHBondContact O-N 3.4Å; E173-N309 PolarHBondContact N-O 2.92Å; E173-S311 WeakPolarHBondContact OE1-CA 3.33Å; E173-R329 IonicContact OE1-CZ 3.06Å; E173-R329 IonicContact OE1-NH1 2.68Å; E173-R329 PolarHBondContact OE1-NH1 3Å; E173-R329 IonicContact OE1-NH2 3.48Å; E173-R329 IonicContact OE2-CZ 2.94Å; E173-R329 IonicContact OE2-NH1 2.62Å; E173-R329 PolarHBondContact OE2-NH1 2.72Å; E173-R329 IonicContact OE2-NH2 3.09Å; E173-R329 PolarHBondContact OE2-NH2 2.89Å
174S95.7Very high88.7Confident19 Ų1940.8 Ų40.813%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-158.6152.4172.361.40000113.8H176 V272 N309S174-H176 WeakPolarHBondContact CB-NE2 3.32Å; S174-H176 PolarHBondContact OG-CD2 2.88Å; S174-H176 PolarHBondContact OG-NE2 3.39Å; S174-V272 CarbonylContact C-O 3.59Å; S174-V272 WeakPolarHBondContact CA-O 3.34Å; S174-V272 VanDerWaalsContact CB-O 3.25Å; S174-V272 WeakPolarHBondContact CB-O 3.3Å; S174-N309 PolarHBondContact N-O 3.22Å; S174-N309 VanDerWaalsContact N-O 3.16Å; S174-N309 PolarHBondContact O-N 2.73Å; S174-N309 WeakPolarHBondContact OG-CB 3.43Å
175I97.9Very high88.1Confident0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-121.3122.7172.5-60.2175.7000107.9I172 I177 V215 L218 L260 V272 V273 V274 E307 V308I172-I175 HydrophobicContact CG2-CD1 4.44Å; I172-I175 HydrophobicContact CG2-CG1 4.19Å; I175-I177 HydrophobicContact CG2-CD1 4.25Å; I175-I177 HydrophobicContact CG2-CG1 4.01Å; I175-V215 HydrophobicContact CD1-CG1 4.34Å; I175-L218 HydrophobicContact CD1-CB 4.49Å; I175-L260 HydrophobicContact CD1-CD1 4.23Å; I175-V272 PolarHBondContact N-O 2.93Å; I175-V273 HydrophobicContact CB-CG2 4.36Å; I175-V273 CarbonylContact O-C 3.55Å; I175-V273 VanDerWaalsContact O-CA 3.29Å; I175-V273 WeakPolarHBondContact O-CA 3.05Å; I175-V274 PolarHBondContact O-N 3.14Å; I175-E307 CarbonylContact C-O 3.52Å; I175-E307 WeakPolarHBondContact CA-O 3.19Å; I175-V308 HydrophobicContact CG1-CG1 4.26Å
176H98.4Very high87.3Confident67 Ų6739.3 Ų39.331%0.3121%0.205SC..EExtended strand (participates in β ladder)trans-115.1124.5177.4-57.1-108.1000108.7S174 V274 I306 E307S174-H176 WeakPolarHBondContact CB-NE2 3.32Å; S174-H176 PolarHBondContact OG-CD2 2.88Å; S174-H176 PolarHBondContact OG-NE2 3.39Å; H176-V274 CarbonylContact C-O 3.48Å; H176-V274 VanDerWaalsContact CA-O 3.32Å; H176-V274 WeakPolarHBondContact CA-O 3.34Å; H176-I306 CarbonylContact O-C 3.57Å; H176-I306 WeakPolarHBondContact O-CA 3.31Å; H176-E307 HydrophobicContact CB-CB 4.2Å; H176-E307 PolarHBondContact N-O 3.26Å; H176-E307 PolarHBondContact O-N 3.27Å
177I97.7Very high86.3Confident4 Ų435.9 Ų35.92%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-121.6131.7180-58.7-179.3000108.3I175 L211 L214 V215 V274 V275 I276 L304 E305 I306I175-I177 HydrophobicContact CG2-CD1 4.25Å; I175-I177 HydrophobicContact CG2-CG1 4.01Å; I177-L211 HydrophobicContact CG2-CD1 4.4Å; I177-L211 HydrophobicContact CG2-CD2 4.02Å; I177-L214 HydrophobicContact CD1-CD2 4.5Å; I177-V215 HydrophobicContact CD1-CG2 3.49Å; I177-V215 VanDerWaalsContact CD1-CG2 3.49Å; I177-V274 PolarHBondContact N-O 2.89Å; I177-V275 HydrophobicContact CB-CG1 4.32Å; I177-V275 HydrophobicContact CB-CG2 4.3Å; I177-V275 HydrophobicContact CG2-CG1 4.46Å; I177-V275 CarbonylContact O-C 3.49Å; I177-V275 WeakPolarHBondContact O-CA 3.35Å; I177-I276 PolarHBondContact O-N 3.41Å; I177-L304 HydrophobicContact CG2-CD1 3.58Å; I177-E305 WeakPolarHBondContact CA-O 3.01Å; I177-I306 HydrophobicContact CG1-CG1 4.39Å; I177-I306 HydrophobicContact CG1-CG2 4.21Å; I177-I306 HydrophobicContact CG2-CG1 4.45Å
178K95.7Very high85Confident63 Ų6339 Ų3927%0.27422%0.215SC..EExtended strand (participates in β ladder)trans-127.2113.3174-174.6178.7178.1-174.30109.6R180 I276 L304 E305K178-R180 VanDerWaalsContact CE-CZ 3.45Å; K178-R180 VanDerWaalsContact CE-NE 3.32Å; K178-R180 VanDerWaalsContact NZ-NH2 3.14Å; K178-I276 WeakPolarHBondContact CA-O 3.49Å; K178-I276 HydrophobicContact CG-CB 4.48Å; K178-L304 WeakPolarHBondContact O-CA 2.93Å; K178-E305 HydrophobicContact CB-CB 4.39Å; K178-E305 PolarHBondContact N-O 3.23Å; K178-E305 PolarHBondContact O-N 2.9Å
179L92.6Very high83.9Confident0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-110.4123176.1-171.7158.7000108.9T181 F207 L211 I276 L277 S278 F302 R303 L304L179-T181 HydrophobicContact CD2-CG2 4.25Å; L179-F207 HydrophobicContact CD1-CB 3.87Å; L179-F207 HydrophobicContact CD1-CD1 3.9Å; L179-F207 HydrophobicContact CD1-CD2 4.33Å; L179-F207 HydrophobicContact CD1-CG 3.78Å; L179-F207 HydrophobicContact CD2-CD2 3.94Å; L179-F207 HydrophobicContact CD2-CE2 4.01Å; L179-F207 HydrophobicContact CD2-CG 4.23Å; L179-F207 HydrophobicContact CD2-CZ 4.38Å; L179-L211 HydrophobicContact CB-CD1 4.44Å; L179-L211 HydrophobicContact CD1-CD1 3.99Å; L179-L211 HydrophobicContact CD1-CD2 4.25Å; L179-L211 HydrophobicContact CD1-CG 4.38Å; L179-I276 PolarHBondContact N-O 3.48Å; L179-L277 HydrophobicContact CB-CD2 3.73Å; L179-L277 HydrophobicContact CD1-CD2 4.02Å; L179-L277 HydrophobicContact CD2-CD2 4.18Å; L179-L277 HydrophobicContact CG-CD2 4.21Å; L179-L277 CarbonylContact O-C 3.55Å; L179-L277 WeakPolarHBondContact O-CA 3.33Å; L179-S278 PolarHBondContact O-N 2.84Å; L179-F302 HydrophobicContact CD1-CE2 3.64Å; L179-F302 HydrophobicContact CD1-CZ 3.85Å; L179-F302 HydrophobicContact CD2-CD2 4.42Å; L179-F302 HydrophobicContact CD2-CE2 3.99Å; L179-F302 HydrophobicContact CG-CE2 3.74Å; L179-F302 HydrophobicContact CG-CZ 4.05Å; L179-R303 CarbonylContact C-O 3.56Å; L179-R303 WeakPolarHBondContact CA-O 3.31Å; L179-L304 HydrophobicContact CB-CD1 4.02Å; L179-L304 HydrophobicContact CD1-CD1 4.4Å; L179-L304 HydrophobicContact CG-CD1 4.4Å
180R90Very high83Confident76 Ų7646.7 Ų46.729%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-114.7136171.5-59.7-170.4156.4167.2-5.1109.8K178 S278 D280 I281 F302 R303K178-R180 VanDerWaalsContact CE-CZ 3.45Å; K178-R180 VanDerWaalsContact CE-NE 3.32Å; K178-R180 VanDerWaalsContact NZ-NH2 3.14Å; R180-S278 CarbonylContact C-O 3.53Å; R180-S278 WeakPolarHBondContact CA-O 2.96Å; R180-S278 WeakPolarHBondContact CG-OG 3.39Å; R180-D280 WeakPolarHBondContact CG-OD1 3.37Å; R180-D280 IonicContact CZ-OD2 2.63Å; R180-D280 IonicContact NE-OD1 2.76Å; R180-D280 IonicContact NE-OD2 3.91Å; R180-D280 PolarHBondContact NE-OD2 2.87Å; R180-D280 VanDerWaalsContact NE-OD2 3.13Å; R180-D280 IonicContact NH2-OD2 3.58Å; R180-I281 HydrophobicContact CB-CD1 4.02Å; R180-I281 HydrophobicContact CB-CG1 4.1Å; R180-F302 CarbonylContact O-C 3.45Å; R180-F302 WeakPolarHBondContact O-CA 3.24Å; R180-R303 HydrophobicContact CB-CB 4.36Å; R180-R303 PolarHBondContact N-O 2.92Å; R180-R303 PolarHBondContact O-N 2.94Å
181T85.5Confident82.5Confident5 Ų545.6 Ų45.63%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-137.7167.9178.2-179.20000111.1L179 F184 L203 F207 S278 A279 D280 I281 C301L179-T181 HydrophobicContact CD2-CG2 4.25Å; T181-F184 HydrophobicContact CG2-CE2 4.45Å; T181-L203 HydrophobicContact CG2-CD2 3.24Å; T181-F207 HydrophobicContact CG2-CE2 3.88Å; T181-F207 HydrophobicContact CG2-CZ 4.46Å; T181-S278 PolarHBondContact N-O 3.45Å; T181-A279 HydrophobicContact CG2-CB 4.43Å; T181-A279 CarbonylContact O-C 3.58Å; T181-A279 VanDerWaalsContact O-C 3.31Å; T181-A279 VanDerWaalsContact O-CA 3.26Å; T181-A279 WeakPolarHBondContact O-CA 3.03Å; T181-D280 PolarHBondContact O-N 2.92Å; T181-I281 WeakPolarHBondContact O-CB 2.95Å; T181-I281 WeakPolarHBondContact O-CG1 3.33Å; T181-I281 PolarHBondContact O-N 2.75Å; T181-I281 VanDerWaalsContact O-N 3.07Å; T181-C301 VanDerWaalsContact CA-O 3.24Å; T181-C301 WeakPolarHBondContact CA-O 3.34Å; T181-C301 PolarHBondContact OG1-O 2.97Å
182V78.1Confident82.2Confident1 Ų142.4 Ų42.41%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-65.1155.3161.1-69.10000111I281 F283 C301V182-I281 HydrophobicContact CG1-CB 4.04Å; V182-I281 HydrophobicContact CG1-CG2 3.87Å; V182-F283 HydrophobicContact CB-CD2 3.83Å; V182-F283 HydrophobicContact CB-CE2 3.8Å; V182-F283 HydrophobicContact CG1-CD2 4.11Å; V182-F283 HydrophobicContact CG1-CE2 4.29Å; V182-F283 HydrophobicContact CG2-CD2 4.35Å; V182-F283 HydrophobicContact CG2-CE2 3.79Å; V182-F283 HydrophobicContact CG2-CZ 4.48Å; V182-C301 HydrophobicContact CB-CB 4.42Å; V182-C301 HydrophobicContact CG1-CB 3.68Å; V182-C301 HydrophobicContact CG2-CB 3.91Å; V182-C301 PolarHBondContact N-O 3.3Å; V182-C301 VanDerWaalsContact N-O 3.13Å
183N75.9Confident81.7Confident27 Ų2741 Ų4114%0.14420%0.202CC..  trans-67.9134.5168.2-164.6-8.4000110.2V185 A279N183-V185 PolarHBondContact ND2-O 2.86Å; N183-V185 PolarHBondContact OD1-N 3.28Å; N183-A279 HydrophobicContact CB-CB 4.25Å
184F71.4Confident81.1Confident17 Ų1737.2 Ų37.28%0.07519%0.185CC..SBendtrans-80-24.6176.7-60.9-65.5000112.5T181 L193 L203 M206 F207 H295T181-F184 HydrophobicContact CG2-CE2 4.45Å; F184-L193 HydrophobicContact CB-CD1 3.87Å; F184-L193 HydrophobicContact CB-CD2 4.48Å; F184-L193 WeakPolarHBondContact O-CD1 3.41Å; F184-L203 HydrophobicContact CD2-CD2 4.43Å; F184-L203 HydrophobicContact CE2-CD2 3.83Å; F184-M206 HydrophobicContact CE1-CE 4.18Å; F184-M206 HydrophobicContact CE2-CB 4.22Å; F184-M206 HydrophobicContact CE2-CG 4.05Å; F184-M206 HydrophobicContact CZ-CB 4.27Å; F184-M206 HydrophobicContact CZ-CE 4.13Å; F184-M206 HydrophobicContact CZ-CG 4.22Å; F184-F207 AromaticContact CE2-CE2 3.73Å; F184-F207 HydrophobicContact CE2-CE2 3.73Å; F184-F207 HydrophobicContact CE2-CZ 4.39Å; F184-F207 HydrophobicContact CZ-CD2 4.49Å; F184-F207 AromaticContact CZ-CE2 3.4Å; F184-F207 HydrophobicContact CZ-CE2 3.4Å; F184-F207 AromaticContact CZ-CZ 3.6Å; F184-F207 HydrophobicContact CZ-CZ 3.6Å; F184-H295 AromaticContact CD1-CE1 3.7Å; F184-H295 AromaticContact CD1-ND1 3.75Å; F184-H295 AromaticContact CE1-ND1 3.72Å
185V72.1Confident80.6Confident15 Ų1539.6 Ų39.69%0.09119%0.194CC..  trans-97.4115.3177.8-177.30000108.2N183 G187 L193 C194 I245 I248N183-V185 PolarHBondContact ND2-O 2.86Å; N183-V185 PolarHBondContact OD1-N 3.28Å; V185-G187 VanDerWaalsContact C-N 3.32Å; V185-L193 HydrophobicContact CG2-CB 4.34Å; V185-C194 VanDerWaalsContact CG1-SG 3.52Å; V185-I245 HydrophobicContact CG1-CD1 4.33Å; V185-I248 HydrophobicContact CG1-CD1 4.08Å
186D65.6Low80Confident87 Ų8740.7 Ų40.747%0.46520%0.202SC..  trans-79.2-20.2176.273.3-11.9000112.5S188 L291D186-S188 VanDerWaalsContact C-N 3.25Å; D186-S188 VanDerWaalsContact CG-OG 3.25Å; D186-S188 PolarHBondContact O-N 2.81Å; D186-S188 PolarHBondContact OD1-N 2.87Å; D186-S188 PolarHBondContact OD1-OG 3.34Å; D186-S188 WeakPolarHBondContact OD2-CB 3.44Å; D186-S188 PolarHBondContact OD2-OG 2.75Å; D186-L291 HydrophobicContact CB-CD2 3.94Å
187G64.3Low79.1Confident14 Ų1444.1 Ų44.114%0.14422%0.218CC..SBendtrans79.5-1.8-178.600000114.3V185 L241V185-G187 VanDerWaalsContact C-N 3.32Å; G187-L241 VanDerWaalsContact O-CD1 3.27Å; G187-L241 WeakPolarHBondContact O-CD1 3.43Å
188S63.9Low78.2Confident66 Ų6649.7 Ų49.746%0.46224%0.244SC..SBendtrans-79.7-39.7-173.1770000112.4D186D186-S188 VanDerWaalsContact C-N 3.25Å; D186-S188 VanDerWaalsContact CG-OG 3.25Å; D186-S188 PolarHBondContact O-N 2.81Å; D186-S188 PolarHBondContact OD1-N 2.87Å; D186-S188 PolarHBondContact OD1-OG 3.34Å; D186-S188 WeakPolarHBondContact OD2-CB 3.44Å; D186-S188 PolarHBondContact OD2-OG 2.75Å
189E66.7Low77.7Confident150 Ų15048.7 Ų48.770%0.70124%0.241SC*.SBendtrans-138.9157.4176.7-67.1-173169.800110.3S191 I245E189-S191 PolarHBondContact O-N 2.97Å; E189-I245 WeakPolarHBondContact O-CD1 3.41Å
190Y72.2Confident77.2Confident124 Ų12448.7 Ų48.749%0.48624%0.241SC..  trans-61.3128.1174.4174.1-99.2000110.3C194 E195 I245Y190-C194 HydrophobicContact CE2-CB 4.33Å; Y190-E195 HydrophobicContact CE2-CG 4.48Å; Y190-E195 PolarHBondContact OH-OE1 2.81Å; Y190-I245 HydrophobicContact CD2-CG2 4.46Å
191S77.3Confident76.8Confident23 Ų2345 Ų4516%0.16123%0.227CC..  trans-124.5142.7172.9-176.30000109.4E189 L193 C194E189-S191 PolarHBondContact O-N 2.97Å; S191-L193 PolarHBondContact O-N 3.28Å; S191-L193 PolarHBondContact OG-N 3.02Å; S191-C194 VanDerWaalsContact O-CB 3.24Å; S191-C194 WeakPolarHBondContact O-CB 3.34Å; S191-C194 PolarHBondContact O-N 3.24Å; S191-C194 PolarHBondContact O-SG 3.22Å
192W80.4Confident76.8Confident19 Ų1945 Ų457%0.07223%0.227CC..G310 helixtrans-54.9-23.7172.766.2-94.4000112.6N12 I14 T73 P109 C194 E195 M199N12-W192 HydrophobicContact CB-CZ2 4.11Å; I14-W192 HydrophobicContact CD1-CH2 3.59Å; I14-W192 HydrophobicContact CD1-CZ2 3.83Å; I14-W192 HydrophobicContact CG1-CZ2 4.35Å; T73-W192 HydrophobicContact CG2-CD2 3.77Å; T73-W192 HydrophobicContact CG2-CE3 3.77Å; T73-W192 HydrophobicContact CG2-CG 4.12Å; T73-W192 HydrophobicContact CG2-CZ3 4.26Å; P109-W192 HydrophobicContact CG-CH2 3.79Å; P109-W192 HydrophobicContact CG-CZ3 3.86Å; W192-C194 PolarHBondContact O-N 3Å; W192-C194 VanDerWaalsContact O-N 3.15Å; W192-E195 PolarHBondContact O-N 3.15Å; W192-E195 VanDerWaalsContact O-N 3.12Å; W192-M199 HydrophobicContact CB-CB 4.23Å; W192-M199 HydrophobicContact CB-CE 3.63Å; W192-M199 HydrophobicContact CB-CG 4.38Å; W192-M199 HydrophobicContact CE3-CB 4.18Å; W192-M199 WeakPolarHBondContact CZ3-O 3.19Å; W192-M199 WeakPolarHBondContact O-CB 3.32Å
193L80.9Confident77.3Confident4 Ų445 Ų452%0.02123%0.227CC..G310 helixtrans-61.9-15.7173.2-71.9171.4000114.2F184 V185 S191 E195 G201 A250F184-L193 HydrophobicContact CB-CD1 3.87Å; F184-L193 HydrophobicContact CB-CD2 4.48Å; F184-L193 WeakPolarHBondContact O-CD1 3.41Å; V185-L193 HydrophobicContact CG2-CB 4.34Å; S191-L193 PolarHBondContact O-N 3.28Å; S191-L193 PolarHBondContact OG-N 3.02Å; L193-E195 PolarHBondContact O-N 3.44Å; L193-G201 WeakPolarHBondContact O-CA 3.38Å; L193-A250 WeakPolarHBondContact O-CB 3.31Å
194C81.6Confident78Confident0 Ų044.6 Ų44.60%023%0.225CC..G310 helixtrans-74.4-14.6176.4-57.40000112.4V185 Y190 S191 W192 I248 S249 A250V185-C194 VanDerWaalsContact CG1-SG 3.52Å; Y190-C194 HydrophobicContact CE2-CB 4.33Å; S191-C194 VanDerWaalsContact O-CB 3.24Å; S191-C194 WeakPolarHBondContact O-CB 3.34Å; S191-C194 PolarHBondContact O-N 3.24Å; S191-C194 PolarHBondContact O-SG 3.22Å; W192-C194 PolarHBondContact O-N 3Å; W192-C194 VanDerWaalsContact O-N 3.15Å; C194-I248 HydrophobicContact CB-CG1 4.39Å; C194-I248 HydrophobicContact CB-CG2 4.48Å; C194-S249 PolarHBondContact O-N 3.01Å; C194-S249 PolarHBondContact O-OG 2.97Å; C194-A250 WeakPolarHBondContact O-CB 3Å; C194-A250 PolarHBondContact O-N 3.01Å
195E84Confident78.7Confident69 Ų6944.3 Ų44.332%0.32222%0.224SC..  trans-111.2113.2-173.7-69.2-176.1-170.600111.7Y190 W192 L193 M199 G200 G201 S249Y190-E195 HydrophobicContact CE2-CG 4.48Å; Y190-E195 PolarHBondContact OH-OE1 2.81Å; W192-E195 PolarHBondContact O-N 3.15Å; W192-E195 VanDerWaalsContact O-N 3.12Å; L193-E195 PolarHBondContact O-N 3.44Å; E195-M199 HydrophobicContact CB-CB 3.9Å; E195-M199 HydrophobicContact CB-CG 3.92Å; E195-M199 WeakPolarHBondContact OE2-CG 3.26Å; E195-G200 PolarHBondContact O-N 3.13Å; E195-G201 WeakPolarHBondContact O-CA 3.4Å; E195-G201 PolarHBondContact O-N 2.71Å; E195-S249 WeakPolarHBondContact CA-OG 3.33Å
196S84.9Confident79.4Confident24 Ų2444.5 Ų44.517%0.16822%0.224CC..SBendtrans-79-33.5-176.5500000114.3G201 N205 S249S196-G201 WeakPolarHBondContact CA-O 3.41Å; S196-N205 PolarHBondContact O-ND2 3.35Å; S196-S249 WeakPolarHBondContact CB-O 3.41Å; S196-S249 PolarHBondContact N-OG 3.46Å; S196-S249 VanDerWaalsContact N-OG 3.15Å; S196-S249 PolarHBondContact OG-O 3.12Å
197E80.9Confident80.6Confident139 Ų13941.5 Ų41.565%0.6521%0.207SC*.SBendtrans-74.3-73.2-168.7-63-173.1165.100113
198E79.1Confident81.9Confident121 Ų12141 Ų4157%0.56520%0.201SC*.SBendtrans-79.5-41.8-175.9-68-163.7159.700111.5V75V75-E198 HydrophobicContact CG2-CB 3.7Å; V75-E198 HydrophobicContact CG2-CG 4.46Å; V75-E198 WeakPolarHBondContact CG2-O 3.36Å; V75-E198 PolarHBondContact N-O 2.9Å
199M83.9Confident83.2Confident41 Ų4138 Ų3820%0.20218%0.18CC..SBendtrans-86-12.4-172.1-57.9-60.5-106.100113.8T73 P74 W192 E195 G201T73-M199 HydrophobicContact CG2-CE 4.42Å; T73-M199 HydrophobicContact CG2-SD 4.39Å; P74-M199 WeakPolarHBondContact CD-O 3.25Å; W192-M199 HydrophobicContact CB-CB 4.23Å; W192-M199 HydrophobicContact CB-CE 3.63Å; W192-M199 HydrophobicContact CB-CG 4.38Å; W192-M199 HydrophobicContact CE3-CB 4.18Å; W192-M199 WeakPolarHBondContact CZ3-O 3.19Å; W192-M199 WeakPolarHBondContact O-CB 3.32Å; E195-M199 HydrophobicContact CB-CB 3.9Å; E195-M199 HydrophobicContact CB-CG 3.92Å; E195-M199 WeakPolarHBondContact OE2-CG 3.26Å; M199-G201 VanDerWaalsContact C-N 3.33Å; M199-G201 PolarHBondContact O-N 2.92Å
200G82.2Confident84.4Confident0 Ų031.3 Ų31.30%015%0.151CC..  trans7323175.500000114.5P109 E195 N205P109-G200 WeakPolarHBondContact CB-O 3.47Å; E195-G200 PolarHBondContact O-N 3.13Å; G200-N205 WeakPolarHBondContact CA-ND2 3.2Å; G200-N205 WeakPolarHBondContact O-CB 3.43Å
201G82.7Confident85.5Confident0 Ų025.5 Ų25.50%013%0.129CC..  trans-66.2172.5169.500000112.9L193 E195 S196 M199 N205L193-G201 WeakPolarHBondContact O-CA 3.38Å; E195-G201 WeakPolarHBondContact O-CA 3.4Å; E195-G201 PolarHBondContact O-N 2.71Å; S196-G201 WeakPolarHBondContact CA-O 3.41Å; M199-G201 VanDerWaalsContact C-N 3.33Å; M199-G201 PolarHBondContact O-N 2.92Å; G201-N205 PolarHBondContact O-ND2 2.95Å
202G85.3Confident86.4Confident3 Ų324.7 Ų24.73%0.03112%0.122CC..Hα-helixtrans85.9168.6177.700000115.1M206 D251G202-M206 WeakPolarHBondContact O-CB 3Å; G202-M206 WeakPolarHBondContact O-CG 3.33Å; G202-M206 PolarHBondContact O-N 2.89Å; G202-D251 WeakPolarHBondContact CA-O 3.33Å
203L88.4Confident87Confident1 Ų123.8 Ų23.81%0.00512%0.119CC..Hα-helixtrans-68.9-35.4-176.6-59.5168.8000112.3T181 F184 M206 F207 D251 D252 V254 L277 A279T181-L203 HydrophobicContact CG2-CD2 3.24Å; F184-L203 HydrophobicContact CD2-CD2 4.43Å; F184-L203 HydrophobicContact CE2-CD2 3.83Å; L203-M206 PolarHBondContact O-N 2.92Å; L203-F207 HydrophobicContact CD2-CD2 4.1Å; L203-F207 HydrophobicContact CD2-CE2 3.97Å; L203-F207 PolarHBondContact O-N 3.23Å; L203-D251 WeakPolarHBondContact CA-OD2 3.41Å; L203-D251 VanDerWaalsContact CB-OD2 3.27Å; L203-D251 WeakPolarHBondContact CB-OD2 3.41Å; L203-D251 PolarHBondContact N-O 3.23Å; L203-D251 PolarHBondContact N-OD2 3.2Å; L203-D252 VanDerWaalsContact CD1-O 3.25Å; L203-D252 WeakPolarHBondContact CD1-O 3.43Å; L203-V254 HydrophobicContact CB-CG2 4.5Å; L203-L277 HydrophobicContact CB-CB 4Å; L203-L277 HydrophobicContact CB-CD1 4.13Å; L203-L277 HydrophobicContact CD1-CB 3.91Å; L203-A279 HydrophobicContact CD1-CB 4.26Å; L203-A279 HydrophobicContact CD2-CB 4.32Å
204L89.7Confident87.6Confident19 Ų1923.6 Ų23.610%0.09912%0.118CC..Hα-helixtrans-55.1-58.9179.2-83.4171.3000111.4M206 C208 P209 D251 V254 I256 I471L204-M206 VanDerWaalsContact C-N 3.3Å; L204-M206 PolarHBondContact O-N 3.32Å; L204-C208 HydrophobicContact CD2-CB 4.05Å; L204-C208 WeakPolarHBondContact O-CA 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.46Å; L204-C208 PolarHBondContact O-N 3.46Å; L204-P209 VanDerWaalsContact O-CD 3.31Å; L204-P209 WeakPolarHBondContact O-CD 3.32Å; L204-D251 PolarHBondContact N-OD2 3.13Å; L204-V254 HydrophobicContact CD1-CG2 4.46Å; L204-V254 HydrophobicContact CD2-CG1 3.88Å; L204-V254 HydrophobicContact CD2-CG2 4.46Å; L204-V254 HydrophobicContact CG-CG1 4.19Å; L204-V254 HydrophobicContact CG-CG2 3.96Å; L204-I256 HydrophobicContact CD2-CD1 4.26Å; L204-I471 HydrophobicContact CD2-CG2 3.81Å
205N87.4Confident88.3Confident11 Ų1123.6 Ų23.66%0.05912%0.118CC..Hα-helixtrans-70.4-27.1-175.2-64.8-50.1000113.3P109 V110 S196 G200 G201P109-N205 HydrophobicContact CB-CB 4.31Å; V110-N205 PolarHBondContact N-O 2.76Å; S196-N205 PolarHBondContact O-ND2 3.35Å; G200-N205 WeakPolarHBondContact CA-ND2 3.2Å; G200-N205 WeakPolarHBondContact O-CB 3.43Å; G201-N205 PolarHBondContact O-ND2 2.95Å
206M86.6Confident88.7Confident20 Ų2023.8 Ų23.810%0.09912%0.117CC..Hα-helixtrans-79.3-39.3-178.7-70.9-65.8-7200113I14 P109 F184 G202 L203 L204I14-M206 HydrophobicContact CD1-CE 3.8Å; I14-M206 HydrophobicContact CD1-SD 3.98Å; P109-M206 HydrophobicContact CB-SD 3.77Å; P109-M206 HydrophobicContact CG-SD 4.29Å; F184-M206 HydrophobicContact CE1-CE 4.18Å; F184-M206 HydrophobicContact CE2-CB 4.22Å; F184-M206 HydrophobicContact CE2-CG 4.05Å; F184-M206 HydrophobicContact CZ-CB 4.27Å; F184-M206 HydrophobicContact CZ-CE 4.13Å; F184-M206 HydrophobicContact CZ-CG 4.22Å; G202-M206 WeakPolarHBondContact O-CB 3Å; G202-M206 WeakPolarHBondContact O-CG 3.33Å; G202-M206 PolarHBondContact O-N 2.89Å; L203-M206 PolarHBondContact O-N 2.92Å; L204-M206 VanDerWaalsContact C-N 3.3Å; L204-M206 PolarHBondContact O-N 3.32Å
207F89.4Confident89Confident24 Ų2424.8 Ų24.811%0.10512%0.118CC..Hα-helixtrans-123.5-31.1-170.2-60.9-66.2000114.8L179 T181 F184 L203 G210 L211 L277 F302L179-F207 HydrophobicContact CD1-CB 3.87Å; L179-F207 HydrophobicContact CD1-CD1 3.9Å; L179-F207 HydrophobicContact CD1-CD2 4.33Å; L179-F207 HydrophobicContact CD1-CG 3.78Å; L179-F207 HydrophobicContact CD2-CD2 3.94Å; L179-F207 HydrophobicContact CD2-CE2 4.01Å; L179-F207 HydrophobicContact CD2-CG 4.23Å; L179-F207 HydrophobicContact CD2-CZ 4.38Å; T181-F207 HydrophobicContact CG2-CE2 3.88Å; T181-F207 HydrophobicContact CG2-CZ 4.46Å; F184-F207 AromaticContact CE2-CE2 3.73Å; F184-F207 HydrophobicContact CE2-CE2 3.73Å; F184-F207 HydrophobicContact CE2-CZ 4.39Å; F184-F207 HydrophobicContact CZ-CD2 4.49Å; F184-F207 AromaticContact CZ-CE2 3.4Å; F184-F207 HydrophobicContact CZ-CE2 3.4Å; F184-F207 AromaticContact CZ-CZ 3.6Å; F184-F207 HydrophobicContact CZ-CZ 3.6Å; L203-F207 HydrophobicContact CD2-CD2 4.1Å; L203-F207 HydrophobicContact CD2-CE2 3.97Å; L203-F207 PolarHBondContact O-N 3.23Å; F207-G210 PolarHBondContact O-N 2.96Å; F207-G210 VanDerWaalsContact O-N 3.12Å; F207-L211 WeakPolarHBondContact O-CG 3.38Å; F207-L211 PolarHBondContact O-N 3.47Å; F207-L277 HydrophobicContact CB-CD2 4.19Å; F207-F302 HydrophobicContact CD1-CE2 4.22Å; F207-F302 HydrophobicContact CE1-CD2 4.2Å; F207-F302 AromaticContact CE1-CE2 3.74Å; F207-F302 HydrophobicContact CE1-CE2 3.74Å; F207-F302 HydrophobicContact CZ-CD2 4.34Å; F207-F302 HydrophobicContact CZ-CE2 4.23Å
208C91.8Very high89.6Confident2 Ų218.2 Ų18.21%0.0149%0.087CC..Hα-helixtrans-59.6-40.4-170.5-164.60000113.2L204 G210 L211 I212 I256 L277 M468L204-C208 HydrophobicContact CD2-CB 4.05Å; L204-C208 WeakPolarHBondContact O-CA 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.46Å; L204-C208 PolarHBondContact O-N 3.46Å; C208-G210 VanDerWaalsContact C-N 3.33Å; C208-G210 PolarHBondContact O-N 3.47Å; C208-L211 PolarHBondContact O-N 3.39Å; C208-I212 VanDerWaalsContact O-CG1 3.32Å; C208-I212 WeakPolarHBondContact O-CG1 3.31Å; C208-I212 PolarHBondContact O-N 2.85Å; C208-I256 VanDerWaalsContact SG-CD1 3.52Å; C208-L277 HydrophobicContact CB-CD1 4.45Å; C208-M468 HydrophobicContact CB-CE 4.22Å; C208-M468 HydrophobicContact CB-SD 3.55Å; C208-M468 VanDerWaalsContact CB-SD 3.55Å; C208-M468 VanDerWaalsContact SG-SD 3.61Å
209P92Very high90.2Very high4 Ų413 Ų133%0.0266%0.064CC..Hα-helixtrans-55.4-46174.5-27.835.4000113.6V110 M130 L204 L211 I212 D213 W461 I464 M468V110-P209 HydrophobicContact CB-CG 4.47Å; M130-P209 HydrophobicContact CE-CB 4.43Å; L204-P209 VanDerWaalsContact O-CD 3.31Å; L204-P209 WeakPolarHBondContact O-CD 3.32Å; P209-L211 VanDerWaalsContact C-N 3.32Å; P209-L211 PolarHBondContact O-N 3.23Å; P209-I212 PolarHBondContact O-N 2.88Å; P209-D213 WeakPolarHBondContact O-CB 2.96Å; P209-D213 PolarHBondContact O-N 3.46Å; P209-W461 HydrophobicContact CB-CH2 4.25Å; P209-W461 HydrophobicContact CB-CZ3 3.94Å; P209-W461 HydrophobicContact CG-CH2 4.35Å; P209-I464 HydrophobicContact CB-CG2 3.87Å; P209-M468 HydrophobicContact CG-CE 4.14Å; P209-M468 HydrophobicContact CG-SD 4.18Å
210G92.1Very high90.3Very high9 Ų913.4 Ų13.49%0.0938%0.079CC..Hα-helixtrans-69-28.5177.600000113.3F207 C208 D213 L214F207-G210 PolarHBondContact O-N 2.96Å; F207-G210 VanDerWaalsContact O-N 3.12Å; C208-G210 VanDerWaalsContact C-N 3.33Å; C208-G210 PolarHBondContact O-N 3.47Å; G210-D213 WeakPolarHBondContact O-CB 3.47Å; G210-L214 VanDerWaalsContact O-CB 3.29Å; G210-L214 WeakPolarHBondContact O-CB 3.22Å; G210-L214 PolarHBondContact O-N 2.98Å
211L94.9Very high90.6Very high2 Ų214.6 Ų14.61%0.019%0.091CC..Hα-helixtrans-77.4-39176.4-68.6-175.3000112.5L132 I177 L179 F207 C208 P209 D213 L214 V215 V275 L277 L304L132-L211 HydrophobicContact CD1-CD2 3.73Å; L132-L211 HydrophobicContact CD1-CG 4.19Å; I177-L211 HydrophobicContact CG2-CD1 4.4Å; I177-L211 HydrophobicContact CG2-CD2 4.02Å; L179-L211 HydrophobicContact CB-CD1 4.44Å; L179-L211 HydrophobicContact CD1-CD1 3.99Å; L179-L211 HydrophobicContact CD1-CD2 4.25Å; L179-L211 HydrophobicContact CD1-CG 4.38Å; F207-L211 WeakPolarHBondContact O-CG 3.38Å; F207-L211 PolarHBondContact O-N 3.47Å; C208-L211 PolarHBondContact O-N 3.39Å; P209-L211 VanDerWaalsContact C-N 3.32Å; P209-L211 PolarHBondContact O-N 3.23Å; L211-D213 PolarHBondContact O-N 3.32Å; L211-L214 HydrophobicContact CD2-CD2 4.23Å; L211-L214 PolarHBondContact O-N 3.45Å; L211-V215 VanDerWaalsContact O-CG2 3.27Å; L211-V215 WeakPolarHBondContact O-CG2 3.4Å; L211-V215 PolarHBondContact O-N 2.97Å; L211-V275 HydrophobicContact CD1-CG1 3.55Å; L211-L277 HydrophobicContact CD1-CD2 3.34Å; L211-L277 HydrophobicContact CD1-CG 4.37Å; L211-L304 HydrophobicContact CD2-CD1 4.27Å
212I95.6Very high91Very high6 Ų616.2 Ų16.23%0.03110%0.1CC..Hα-helixtrans-59.8-43.4171.5-65.9159.6000109.2C208 P209 V215 Y216 I224 Y463 I464 V467 M468 I471C208-I212 VanDerWaalsContact O-CG1 3.32Å; C208-I212 WeakPolarHBondContact O-CG1 3.31Å; C208-I212 PolarHBondContact O-N 2.85Å; P209-I212 PolarHBondContact O-N 2.88Å; I212-V215 PolarHBondContact O-N 2.75Å; I212-Y216 PolarHBondContact O-N 2.79Å; I212-I224 HydrophobicContact CG2-CD1 4.4Å; I212-Y463 HydrophobicContact CG2-CE1 3.73Å; I212-I464 HydrophobicContact CD1-CG2 4.28Å; I212-I464 HydrophobicContact CG2-CG1 4.06Å; I212-V467 HydrophobicContact CD1-CB 3.96Å; I212-V467 HydrophobicContact CD1-CG1 3.58Å; I212-V467 HydrophobicContact CG1-CG1 3.89Å; I212-V467 HydrophobicContact CG2-CB 4.27Å; I212-V467 HydrophobicContact CG2-CG1 4.25Å; I212-V467 HydrophobicContact CG2-CG2 4.28Å; I212-M468 HydrophobicContact CD1-CG 3.8Å; I212-M468 HydrophobicContact CD1-SD 3.8Å; I212-I471 HydrophobicContact CD1-CD1 4.22Å
213D94Very high91.4Very high0 Ų020.6 Ų20.60%012%0.12CC..Hα-helixtrans-60.1-46.1174.3-17462.6000112.8M130 R133 P209 G210 L211 V215 Y216 F217 H460 I464M130-D213 WeakPolarHBondContact CB-OD2 3.17Å; M130-D213 HydrophobicContact CG-CB 4.33Å; M130-D213 HydrophobicContact SD-CB 3.83Å; R133-D213 IonicContact CZ-OD1 3.72Å; R133-D213 IonicContact CZ-OD2 3.35Å; R133-D213 VanDerWaalsContact CZ-OD2 3.31Å; R133-D213 IonicContact NE-OD1 3.83Å; R133-D213 IonicContact NE-OD2 2.84Å; R133-D213 PolarHBondContact NE-OD2 3.47Å; R133-D213 IonicContact NH2-OD1 2.75Å; R133-D213 PolarHBondContact NH2-OD1 2.82Å; R133-D213 IonicContact NH2-OD2 2.8Å; R133-D213 PolarHBondContact NH2-OD2 2.79Å; R133-D213 VanDerWaalsContact NH2-OD2 3.1Å; P209-D213 WeakPolarHBondContact O-CB 2.96Å; P209-D213 PolarHBondContact O-N 3.46Å; G210-D213 WeakPolarHBondContact O-CB 3.47Å; L211-D213 PolarHBondContact O-N 3.32Å; D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 2.9Å; D213-Y216 WeakPolarHBondContact O-CB 3.29Å; D213-Y216 PolarHBondContact O-N 3.33Å; D213-F217 WeakPolarHBondContact O-CB 3.17Å; D213-F217 PolarHBondContact O-N 3.12Å; D213-H460 IonicContact OD1-CD2 2.7Å; D213-H460 PolarHBondContact OD1-CD2 2.64Å; D213-H460 IonicContact OD1-CE1 2.75Å; D213-H460 IonicContact OD1-NE2 3.45Å; D213-H460 PolarHBondContact OD1-NE2 2.8Å; D213-I464 HydrophobicContact CB-CD1 4.1Å
214L93.9Very high91.9Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-62.2-40.2177.9-179.260000112.2L135 I177 G210 L211 F217 L218 L304 I306L135-L214 HydrophobicContact CD1-CD2 4.39Å; I177-L214 HydrophobicContact CD1-CD2 4.5Å; G210-L214 VanDerWaalsContact O-CB 3.29Å; G210-L214 WeakPolarHBondContact O-CB 3.22Å; G210-L214 PolarHBondContact O-N 2.98Å; L211-L214 HydrophobicContact CD2-CD2 4.23Å; L211-L214 PolarHBondContact O-N 3.45Å; L214-F217 PolarHBondContact O-N 3.15Å; L214-L218 HydrophobicContact CD1-CD1 3.98Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 3.97Å; L214-L218 HydrophobicContact CG-CG 4.42Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 2.78Å; L214-L304 HydrophobicContact CD2-CD2 4.37Å; L214-I306 HydrophobicContact CD2-CD1 3.76Å
215V95.6Very high92.2Very high1 Ų122.1 Ų22.11%0.00613%0.129CC..Hα-helixtrans-62.9-46174.7170.10000110.7I175 I177 L211 I212 D213 F217 L218 S219 L260 V273I175-V215 HydrophobicContact CD1-CG1 4.34Å; I177-V215 HydrophobicContact CD1-CG2 3.49Å; I177-V215 VanDerWaalsContact CD1-CG2 3.49Å; L211-V215 VanDerWaalsContact O-CG2 3.27Å; L211-V215 WeakPolarHBondContact O-CG2 3.4Å; L211-V215 PolarHBondContact O-N 2.97Å; I212-V215 PolarHBondContact O-N 2.75Å; D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 2.9Å; V215-F217 VanDerWaalsContact C-N 3.29Å; V215-F217 PolarHBondContact O-N 2.76Å; V215-L218 PolarHBondContact O-N 3.49Å; V215-S219 VanDerWaalsContact O-CB 3.22Å; V215-S219 WeakPolarHBondContact O-CB 3.28Å; V215-S219 PolarHBondContact O-N 3.29Å; V215-S219 PolarHBondContact O-OG 2.86Å; V215-L260 HydrophobicContact CG1-CD1 4.5Å; V215-L260 HydrophobicContact CG1-CD2 3.88Å; V215-V273 HydrophobicContact CG1-CB 4.4Å; V215-V273 HydrophobicContact CG1-CG2 3.97Å; V215-V273 HydrophobicContact CG2-CG2 3.69Å
216Y93.2Very high92.6Very high73 Ų7321.6 Ų21.629%0.28613%0.127SC..Hα-helixtrans-58.7-44.4175.9-179.1-93.6000111I212 D213 S219 G220 G221 Q223 H460 Y463I212-Y216 PolarHBondContact O-N 2.79Å; D213-Y216 WeakPolarHBondContact O-CB 3.29Å; D213-Y216 PolarHBondContact O-N 3.33Å; Y216-S219 PolarHBondContact O-OG 3.06Å; Y216-S219 VanDerWaalsContact O-OG 3.13Å; Y216-G220 PolarHBondContact O-N 3.33Å; Y216-G221 VanDerWaalsContact CE2-C 3.44Å; Y216-G221 VanDerWaalsContact CE2-CA 3.45Å; Y216-G221 WeakPolarHBondContact CE2-O 3.23Å; Y216-G221 WeakPolarHBondContact O-CA 3.3Å; Y216-G221 PolarHBondContact O-N 3.43Å; Y216-Q223 HydrophobicContact CD2-CG 4.04Å; Y216-Q223 HydrophobicContact CE2-CG 3.78Å; Y216-H460 AromaticContact CD1-CE1 3.43Å; Y216-H460 VanDerWaalsContact CD1-CE1 3.43Å; Y216-H460 WeakPolarHBondContact CD1-CE1 3.38Å; Y216-H460 AromaticContact CE1-CE1 3.77Å; Y216-H460 AromaticContact CG-CE1 3.63Å; Y216-Y463 HydrophobicContact CD2-CE1 4.02Å; Y216-Y463 HydrophobicContact CG-CE1 4.39Å
217F90.7Very high93.2Very high44 Ų4420.7 Ų20.719%0.19312%0.122CC..Hα-helixtrans-64.3-48.3178.8-178.8-113.9000113.1R133 S142 D213 L214 V215 S219 G220R133-F217 HydrophobicContact CB-CB 4.42Å; R133-F217 HydrophobicContact CB-CD1 3.96Å; R133-F217 HydrophobicContact CB-CE1 4.3Å; R133-F217 HydrophobicContact CB-CG 4.06Å; S142-F217 VanDerWaalsContact CB-CZ 3.41Å; S142-F217 VanDerWaalsContact OG-CE1 3.28Å; S142-F217 WeakPolarHBondContact OG-CE1 3.49Å; S142-F217 WeakPolarHBondContact OG-CE2 3.4Å; S142-F217 WeakPolarHBondContact OG-CZ 3.47Å; D213-F217 WeakPolarHBondContact O-CB 3.17Å; D213-F217 PolarHBondContact O-N 3.12Å; L214-F217 PolarHBondContact O-N 3.15Å; V215-F217 VanDerWaalsContact C-N 3.29Å; V215-F217 PolarHBondContact O-N 2.76Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.49Å; F217-G220 PolarHBondContact O-N 3.37Å
218L92.3Very high93.6Very high2 Ų221 Ų211%0.0113%0.126CC..Hα-helixtrans-69.9-28.6-179.4-71.3174.3000113.1L141 I175 L214 V215 G220 I306L141-L218 HydrophobicContact CD2-CD2 4.25Å; L141-L218 HydrophobicContact CG-CD2 4.45Å; I175-L218 HydrophobicContact CD1-CB 4.49Å; L214-L218 HydrophobicContact CD1-CD1 3.98Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 3.97Å; L214-L218 HydrophobicContact CG-CG 4.42Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.32Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 2.78Å; V215-L218 PolarHBondContact O-N 3.49Å; L218-G220 VanDerWaalsContact C-N 3.28Å; L218-G220 PolarHBondContact O-N 3.45Å; L218-I306 HydrophobicContact CD1-CG2 3.84Å
219S91.5Very high93.8Very high10 Ų1021 Ų217%0.0713%0.126CC..THydrogen-bonded Turntrans-83.60.1179.164.30000114.3V215 Y216 F217 G221 L222V215-S219 VanDerWaalsContact O-CB 3.22Å; V215-S219 WeakPolarHBondContact O-CB 3.28Å; V215-S219 PolarHBondContact O-N 3.29Å; V215-S219 PolarHBondContact O-OG 2.86Å; Y216-S219 PolarHBondContact O-OG 3.06Å; Y216-S219 VanDerWaalsContact O-OG 3.13Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.49Å; S219-G221 VanDerWaalsContact C-N 3.33Å; S219-L222 PolarHBondContact OG-N 3.17Å; S219-L222 PolarHBondContact OG-O 3.48Å
220G86.5Confident94Very high50 Ų5025.6 Ų25.652%0.51515%0.149SC..THydrogen-bonded Turntrans71.428.5-17600000113.1Y216 F217 L218Y216-G220 PolarHBondContact O-N 3.33Å; F217-G220 PolarHBondContact O-N 3.37Å; L218-G220 VanDerWaalsContact C-N 3.28Å; L218-G220 PolarHBondContact O-N 3.45Å
221G88.9Confident93.9Very high26 Ų2626.4 Ų26.427%0.26816%0.158SC..SBendtrans95.417.2176.700000115.4Y216 S219 Q223Y216-G221 VanDerWaalsContact CE2-C 3.44Å; Y216-G221 VanDerWaalsContact CE2-CA 3.45Å; Y216-G221 WeakPolarHBondContact CE2-O 3.23Å; Y216-G221 WeakPolarHBondContact O-CA 3.3Å; Y216-G221 PolarHBondContact O-N 3.43Å; S219-G221 VanDerWaalsContact C-N 3.33Å; G221-Q223 PolarHBondContact O-N 2.94Å
222L90.9Very high93.5Very high33 Ų3334.1 Ų34.117%0.17319%0.187CC..PPolyproline II helixtrans-73.6127.7171.9-60.4178.4000109.9S219 L260 P263S219-L222 PolarHBondContact OG-N 3.17Å; S219-L222 PolarHBondContact OG-O 3.48Å; L222-L260 HydrophobicContact CB-CB 4.2Å; L222-L260 HydrophobicContact CB-CD1 4.47Å; L222-L260 HydrophobicContact CD1-CB 4.49Å; L222-P263 HydrophobicContact CD2-CG 4.42Å
223Q95.1Very high92.9Very high96 Ų9636.8 Ų36.845%0.44920%0.203SC..PPolyproline II helixtrans-87.6146.6177.9-68-177.4-7.700111.3Y216 G221 T225 L260 G261 Y463Y216-Q223 HydrophobicContact CD2-CG 4.04Å; Y216-Q223 HydrophobicContact CE2-CG 3.78Å; G221-Q223 PolarHBondContact O-N 2.94Å; Q223-T225 PolarHBondContact O-N 3.37Å; Q223-L260 CarbonylContact O-C 3.46Å; Q223-L260 WeakPolarHBondContact O-CA 3.19Å; Q223-G261 PolarHBondContact O-N 3.41Å; Q223-Y463 HydrophobicContact CB-CD2 4.11Å; Q223-Y463 HydrophobicContact CB-CE2 3.57Å; Q223-Y463 HydrophobicContact CG-CD2 3.93Å; Q223-Y463 HydrophobicContact CG-CE2 3.77Å; Q223-Y463 HydrophobicContact CG-CG 4.39Å
224I97.4Very high91.7Very high9 Ų940 Ų405%0.04623%0.226CC..EExtended strand (participates in β ladder)trans-71.6123.4169-60.9168.3000108.3I212 S226 V227 L260 V273 Y463 V467 V483I212-I224 HydrophobicContact CG2-CD1 4.4Å; I224-S226 WeakPolarHBondContact CG2-O 2.92Å; I224-V227 HydrophobicContact CG2-CG1 3.3Å; I224-L260 HydrophobicContact CG1-CD2 3.66Å; I224-V273 HydrophobicContact CD1-CG1 4.05Å; I224-V273 HydrophobicContact CG1-CG1 4.11Å; I224-Y463 PolarHBondContact N-OH 3.45Å; I224-V467 HydrophobicContact CB-CG2 4.13Å; I224-V467 HydrophobicContact CD1-CG1 4.07Å; I224-V483 HydrophobicContact CG2-CG2 4.22Å
225T96.2Very high90.1Very high42 Ų4247.3 Ų47.326%0.25827%0.265SS..EExtended strand (participates in β ladder)trans-100.3-29.9-175.657.70000113.1Q223 E259 K270 V483Q223-T225 PolarHBondContact O-N 3.37Å; T225-E259 PolarHBondContact N-O 3.13Å; T225-E259 PolarHBondContact OG1-O 2.75Å; T225-K270 PolarHBondContact OG1-NZ 2.74Å; T225-V483 PolarHBondContact O-N 2.86Å
226S97.1Very high88.2Confident1 Ų153.8 Ų53.81%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-146.3148.8178.262.10000109.8I224 G258 E259 I481 M489I224-S226 WeakPolarHBondContact CG2-O 2.92Å; S226-G258 CarbonylContact O-C 3.59Å; S226-G258 WeakPolarHBondContact O-CA 3.48Å; S226-E259 PolarHBondContact O-N 3.46Å; S226-E259 WeakPolarHBondContact OG-CB 3.26Å; S226-E259 VanDerWaalsContact OG-CG 3.28Å; S226-E259 WeakPolarHBondContact OG-CG 3.49Å; S226-E259 PolarHBondContact OG-OE2 2.95Å; S226-I481 CarbonylContact C-O 3.43Å; S226-I481 VanDerWaalsContact CA-O 3.25Å; S226-I481 WeakPolarHBondContact CA-O 3.47Å; S226-M489 WeakPolarHBondContact CB-SD 3.38Å
227V98.1Very high86.1Confident0 Ų053.1 Ų53.10%031%0.305CS..EExtended strand (participates in β ladder)trans-141150.3-179.3-60.70000112.2I224 M257 V467 A470 I471 W480 I481 V483I224-V227 HydrophobicContact CG2-CG1 3.3Å; V227-M257 CarbonylContact C-O 3.5Å; V227-M257 VanDerWaalsContact CA-O 3.3Å; V227-M257 WeakPolarHBondContact CA-O 3.11Å; V227-V467 HydrophobicContact CG1-CG1 4.35Å; V227-A470 HydrophobicContact CG2-CB 3.51Å; V227-I471 HydrophobicContact CB-CG1 4.36Å; V227-I471 HydrophobicContact CG1-CG1 4.44Å; V227-I471 HydrophobicContact CG2-CG1 4.11Å; V227-W480 CarbonylContact O-C 3.54Å; V227-W480 WeakPolarHBondContact O-CA 3.48Å; V227-I481 PolarHBondContact N-O 2.91Å; V227-I481 PolarHBondContact O-N 2.7Å; V227-V483 HydrophobicContact CG1-CG2 4.07Å; V227-V483 HydrophobicContact CG2-CG2 4.44Å
228T97.8Very high84.1Confident31 Ų3153.7 Ų53.719%0.1931%0.312CS..EExtended strand (participates in β ladder)trans-132.3143.7160.2-175.60000108.6M257 W480T228-M257 HydrophobicContact CG2-CB 3.92Å; T228-M257 PolarHBondContact N-O 2.96Å; T228-M257 PolarHBondContact O-N 3.43Å; T228-M257 VanDerWaalsContact O-O 3.13Å; T228-W480 HydrophobicContact CG2-CD2 3.95Å; T228-W480 HydrophobicContact CG2-CE3 4.3Å; T228-W480 HydrophobicContact CG2-CH2 4.02Å; T228-W480 HydrophobicContact CG2-CZ2 3.61Å; T228-W480 HydrophobicContact CG2-CZ3 4.34Å
229S96.8Very high81.8Confident3 Ų361.4 Ų61.42%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-141.6152.4-178.7-172.80000112.4T255 S474 T475S229-T255 CarbonylContact C-O 3.58Å; S229-T255 WeakPolarHBondContact CA-O 3.38Å; S229-T255 WeakPolarHBondContact CB-O 3.41Å; S229-T255 PolarHBondContact OG-O 3.41Å; S229-S474 WeakPolarHBondContact CB-OG 3.39Å; S229-S474 PolarHBondContact N-OG 2.92Å; S229-T475 WeakPolarHBondContact CB-OG1 3.37Å; S229-T475 WeakPolarHBondContact O-CA 3.36Å; S229-T475 PolarHBondContact OG-OG1 3.03Å
230I94.6Very high79.9Confident100 Ų10064.7 Ų64.751%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-127.8112172-58.6173.9000106.3V254 T255I230-V254 WeakPolarHBondContact O-CA 3.46Å; I230-T255 PolarHBondContact N-O 3.34Å; I230-T255 PolarHBondContact O-N 2.94Å
231G90.1Very high78.4Confident26 Ų2665.8 Ų65.827%0.26838%0.383SS..EExtended strand (participates in β ladder)trans-99.9145.7168.600000110.9Y253G231-Y253 CarbonylContact C-O 3.46Å
232R87.7Confident76.8Confident163 Ų16370 Ų7062%0.61541%0.407SS*.EExtended strand (participates in β ladder)trans-133.9148.5170.8-64.2-176-179.8171.70.5109.8D251 D252 Y253R232-D251 WeakPolarHBondContact O-CA 3.19Å; R232-D252 PolarHBondContact O-N 3.19Å; R232-Y253 PolarHBondContact N-O 2.87Å; R232-Y253 PolarHBondContact O-N 3.24Å
233T81.9Confident75.1Confident62 Ų6275.8 Ų75.838%0.3843%0.433SS..  trans-112.2108.7165.454.20000105.8D235 A250 D252T233-D235 PolarHBondContact O-N 3.01Å; T233-A250 WeakPolarHBondContact CG2-O 3.42Å; T233-D252 WeakPolarHBondContact CA-OD1 3.31Å
234S69.3Low73.3Confident68 Ų6874.1 Ų74.148%0.47643%0.431SS..  trans-69.1117.5171.9-49.80000108R236 D252S234-R236 PolarHBondContact O-N 2.87Å; S234-D252 WeakPolarHBondContact CB-OD2 3.26Å; S234-D252 VanDerWaalsContact N-CG 3.3Å; S234-D252 PolarHBondContact N-OD1 3.27Å; S234-D252 PolarHBondContact N-OD2 3.21Å; S234-D252 PolarHBondContact OG-OD1 2.78Å; S234-D252 PolarHBondContact OG-OD2 3.43Å
235D60Low71.5Confident154 Ų15475 Ų7582%0.82444%0.435SS*.  trans-63.286.4161.5-85.6-27000107.1T233 G237T233-D235 PolarHBondContact O-N 3.01Å; D235-G237 VanDerWaalsContact C-N 3.26Å; D235-G237 PolarHBondContact O-N 3.45Å
236R56.8Low69.7Low137 Ų13784.9 Ų84.952%0.51747%0.468SS..  trans-69.599166.6-71.3-165.1-177.2-170.53.3105.4S234 T238 A279S234-R236 PolarHBondContact O-N 2.87Å; R236-T238 PolarHBondContact O-N 3.44Å; R236-A279 PolarHBondContact NH2-O 3.17Å
237G47.8Very low68.5Low59 Ų5991.2 Ų91.261%0.60850%0.497SS*.  trans-39.5116.3178.300000109.6D235 D239D235-G237 VanDerWaalsContact C-N 3.26Å; D235-G237 PolarHBondContact O-N 3.45Å; G237-D239 PolarHBondContact O-N 3.38Å
238T49.6Very low67.6Low56 Ų5694 Ų9434%0.34451%0.511SS..  trans-71.233.6173.851.20000111.2R236 G240 L241 P244R236-T238 PolarHBondContact O-N 3.44Å; T238-G240 VanDerWaalsContact C-N 3.34Å; T238-G240 PolarHBondContact O-N 2.91Å; T238-L241 PolarHBondContact O-N 3.24Å; T238-P244 VanDerWaalsContact CB-CB 3.47Å; T238-P244 HydrophobicContact CG2-CB 3.62Å; T238-P244 VanDerWaalsContact OG1-CB 3.29Å; T238-P244 WeakPolarHBondContact OG1-CB 3.44Å
239D43.8Very low67Low163 Ų16394.1 Ų94.187%0.87251%0.514SS*.THydrogen-bonded Turntrans-7093.1-177.7-79.1-17.2000108G237G237-D239 PolarHBondContact O-N 3.38Å
240G52.5Low66.5Low80 Ų8094.2 Ų94.283%0.82552%0.515SS*.THydrogen-bonded Turntrans123.7-5.117600000115.9T238T238-G240 VanDerWaalsContact C-N 3.34Å; T238-G240 PolarHBondContact O-N 2.91Å
241L54.8Low66.2Low73 Ų7390.1 Ų90.138%0.38249%0.494SS..  trans-90.4128.8176.9-73.4160.4000110.4G187 T238 H243G187-L241 VanDerWaalsContact O-CD1 3.27Å; G187-L241 WeakPolarHBondContact O-CD1 3.43Å; T238-L241 PolarHBondContact O-N 3.24Å; L241-H243 PolarHBondContact O-N 2.93Å
242S54.5Low66.1Low113 Ų11389.6 Ų89.679%0.7949%0.485SS*.SBendtrans-60-31.8-176.9440000112.5
243H55.2Low66.3Low155 Ų15585.9 Ų85.972%0.71847%0.472SS*.SBendtrans-131.383.9179.2-67.811.6000109.6L241 I245L241-H243 PolarHBondContact O-N 2.93Å; H243-I245 PolarHBondContact O-N 3.46Å
244P56.4Low66.9Low61 Ų6183 Ų8340%0.39645%0.454SS..  trans-62.3130.6179.126.3-34.5000110.6T238 R246T238-P244 VanDerWaalsContact CB-CB 3.47Å; T238-P244 HydrophobicContact CG2-CB 3.62Å; T238-P244 VanDerWaalsContact OG1-CB 3.29Å; T238-P244 WeakPolarHBondContact OG1-CB 3.44Å; P244-R246 PolarHBondContact O-N 3.05Å; P244-R246 VanDerWaalsContact O-N 3.13Å
245I59.7Low68.3Low27 Ų2781.4 Ų81.414%0.13844%0.442CS..  trans-58.9118.3170.6-59.6174.2000107.2V185 E189 Y190 H243 H247 I248V185-I245 HydrophobicContact CG1-CD1 4.33Å; E189-I245 WeakPolarHBondContact O-CD1 3.41Å; Y190-I245 HydrophobicContact CD2-CG2 4.46Å; H243-I245 PolarHBondContact O-N 3.46Å; I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 3.45Å; I245-I248 HydrophobicContact CG2-CG1 4.06Å
246R59.7Low70.1Confident250 Ų25074.3 Ų74.394%0.94340%0.403SS*.SBendtrans-72-17.6-169.7-69.3-174.4-177.7-176.41.3114.1P244P244-R246 PolarHBondContact O-N 3.05Å; P244-R246 VanDerWaalsContact O-N 3.13Å
247H71.8Confident72Confident135 Ų13571.5 Ų71.563%0.62540%0.397SS*.  trans-157123.2-178-169-103.4000111.2I245I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 3.45Å
248I79.1Confident74.4Confident57 Ų5768.7 Ų68.729%0.29237%0.368SS..  trans-117.4111.3170-59.7172.6000106.2V185 C194 I245 A250V185-I248 HydrophobicContact CG1-CD1 4.08Å; C194-I248 HydrophobicContact CB-CG1 4.39Å; C194-I248 HydrophobicContact CB-CG2 4.48Å; I245-I248 HydrophobicContact CG2-CG1 4.06Å; I248-A250 HydrophobicContact CG2-CB 4.15Å
249S84.9Confident76.6Confident34 Ų3468.8 Ų68.824%0.23837%0.365CS..  trans-96.8-9.117459.60000112.8C194 E195 S196 D251C194-S249 PolarHBondContact O-N 3.01Å; C194-S249 PolarHBondContact O-OG 2.97Å; E195-S249 WeakPolarHBondContact CA-OG 3.33Å; S196-S249 WeakPolarHBondContact CB-O 3.41Å; S196-S249 PolarHBondContact N-OG 3.46Å; S196-S249 VanDerWaalsContact N-OG 3.15Å; S196-S249 PolarHBondContact OG-O 3.12Å; S249-D251 PolarHBondContact O-N 2.83Å
250A85.6Confident79.1Confident6 Ų661 Ų615%0.0532%0.323CS..SBendtrans-67.7121.6175.500000111.8L193 C194 T233 I248L193-A250 WeakPolarHBondContact O-CB 3.31Å; C194-A250 WeakPolarHBondContact O-CB 3Å; C194-A250 PolarHBondContact O-N 3.01Å; T233-A250 WeakPolarHBondContact CG2-O 3.42Å; I248-A250 HydrophobicContact CG2-CB 4.15Å
251D88.7Confident80.8Confident14 Ų1457.9 Ų57.98%0.07529%0.291CS..  trans-64.7137.5176.355.1-73.9000112G202 L203 L204 R232 S249 V254G202-D251 WeakPolarHBondContact CA-O 3.33Å; L203-D251 WeakPolarHBondContact CA-OD2 3.41Å; L203-D251 VanDerWaalsContact CB-OD2 3.27Å; L203-D251 WeakPolarHBondContact CB-OD2 3.41Å; L203-D251 PolarHBondContact N-O 3.23Å; L203-D251 PolarHBondContact N-OD2 3.2Å; L204-D251 PolarHBondContact N-OD2 3.13Å; R232-D251 WeakPolarHBondContact O-CA 3.19Å; S249-D251 PolarHBondContact O-N 2.83Å; D251-V254 HydrophobicContact CB-CG2 3.82Å; D251-V254 WeakPolarHBondContact OD2-CG2 3.37Å
252D88.3Confident81.6Confident15 Ų1559.3 Ų59.38%0.0829%0.294CS..SBendtrans-119.5-6.3176.779.9-30.9000112.4L203 R232 T233 S234 A279L203-D252 VanDerWaalsContact CD1-O 3.25Å; L203-D252 WeakPolarHBondContact CD1-O 3.43Å; R232-D252 PolarHBondContact O-N 3.19Å; T233-D252 WeakPolarHBondContact CA-OD1 3.31Å; S234-D252 WeakPolarHBondContact CB-OD2 3.26Å; S234-D252 VanDerWaalsContact N-CG 3.3Å; S234-D252 PolarHBondContact N-OD1 3.27Å; S234-D252 PolarHBondContact N-OD2 3.21Å; S234-D252 PolarHBondContact OG-OD1 2.78Å; S234-D252 PolarHBondContact OG-OD2 3.43Å; D252-A279 HydrophobicContact CB-CB 4.06Å; D252-A279 PolarHBondContact O-N 2.8Å
253Y92.6Very high81.7Confident84 Ų8457.3 Ų57.333%0.32928%0.278SS..EExtended strand (participates in β ladder)trans-148130.1169.3-175-88.8000110.7G231 R232 T255 I276 L277G231-Y253 CarbonylContact C-O 3.46Å; R232-Y253 PolarHBondContact N-O 2.87Å; R232-Y253 PolarHBondContact O-N 3.24Å; Y253-T255 WeakPolarHBondContact CE1-OG1 3.34Å; Y253-T255 PolarHBondContact OH-OG1 3.07Å; Y253-I276 HydrophobicContact CE2-CG2 4.04Å; Y253-L277 WeakPolarHBondContact CA-O 3.37Å
254V94.8Very high81.5Confident1 Ų156.3 Ų56.31%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-139.4134.7179.9-168.50000109.6L203 L204 I230 D251 I256 I276 L277L203-V254 HydrophobicContact CB-CG2 4.5Å; L204-V254 HydrophobicContact CD1-CG2 4.46Å; L204-V254 HydrophobicContact CD2-CG1 3.88Å; L204-V254 HydrophobicContact CD2-CG2 4.46Å; L204-V254 HydrophobicContact CG-CG1 4.19Å; L204-V254 HydrophobicContact CG-CG2 3.96Å; I230-V254 WeakPolarHBondContact O-CA 3.46Å; D251-V254 HydrophobicContact CB-CG2 3.82Å; D251-V254 WeakPolarHBondContact OD2-CG2 3.37Å; V254-I256 HydrophobicContact CG1-CD1 4.31Å; V254-I256 HydrophobicContact CG1-CG1 3.98Å; V254-I276 WeakPolarHBondContact O-CA 3.44Å; V254-L277 HydrophobicContact CB-CB 4.08Å; V254-L277 HydrophobicContact CB-CD1 4.12Å; V254-L277 HydrophobicContact CB-CG 4.48Å; V254-L277 HydrophobicContact CG2-CB 4.42Å; V254-L277 HydrophobicContact CG2-CD1 4.34Å; V254-L277 PolarHBondContact N-O 3.25Å; V254-L277 PolarHBondContact O-N 3.49Å
255T97.1Very high81.5Confident36 Ų3658.8 Ų58.822%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-117131165.6-56.90000108.8S229 I230 Y253 V275 I276S229-T255 CarbonylContact C-O 3.58Å; S229-T255 WeakPolarHBondContact CA-O 3.38Å; S229-T255 WeakPolarHBondContact CB-O 3.41Å; S229-T255 PolarHBondContact OG-O 3.41Å; I230-T255 PolarHBondContact N-O 3.34Å; I230-T255 PolarHBondContact O-N 2.94Å; Y253-T255 WeakPolarHBondContact CE1-OG1 3.34Å; Y253-T255 PolarHBondContact OH-OG1 3.07Å; T255-V275 CarbonylContact C-O 3.33Å; T255-V275 WeakPolarHBondContact CA-O 3.42Å; T255-I276 HydrophobicContact CG2-CG1 4.41Å
256I97.9Very high81.3Confident4 Ų463 Ų632%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-122.5131.4175.3-57.5155000106.8L204 C208 V254 V274 V275 I471L204-I256 HydrophobicContact CD2-CD1 4.26Å; C208-I256 VanDerWaalsContact SG-CD1 3.52Å; V254-I256 HydrophobicContact CG1-CD1 4.31Å; V254-I256 HydrophobicContact CG1-CG1 3.98Å; I256-V274 CarbonylContact O-C 3.48Å; I256-V274 WeakPolarHBondContact O-CA 3.39Å; I256-V275 HydrophobicContact CB-CB 4.2Å; I256-V275 HydrophobicContact CD1-CB 4.34Å; I256-V275 PolarHBondContact N-O 3Å; I256-V275 PolarHBondContact O-N 3.35Å; I256-I471 HydrophobicContact CD1-CD1 3.85Å; I256-I471 HydrophobicContact CD1-CG2 4.48Å; I256-I471 HydrophobicContact CG1-CD1 4.25Å; I256-I471 HydrophobicContact CG1-CG1 4.46Å; I256-I471 HydrophobicContact CG1-CG2 4.28Å; I256-I471 HydrophobicContact CG2-CD1 4.04Å; I256-I471 HydrophobicContact CG2-CG1 4.07Å
257M98.1Very high81.5Confident79 Ų7954.9 Ų54.939%0.38932%0.321SS..EExtended strand (participates in β ladder)trans-122.7134.8169.3-172.3178.7-177.700107.7V227 T228 V272 V273 V274 W480V227-M257 CarbonylContact C-O 3.5Å; V227-M257 VanDerWaalsContact CA-O 3.3Å; V227-M257 WeakPolarHBondContact CA-O 3.11Å; T228-M257 HydrophobicContact CG2-CB 3.92Å; T228-M257 PolarHBondContact N-O 2.96Å; T228-M257 PolarHBondContact O-N 3.43Å; T228-M257 VanDerWaalsContact O-O 3.13Å; M257-V272 HydrophobicContact CE-CG1 3.69Å; M257-V272 HydrophobicContact CG-CG1 4.07Å; M257-V273 CarbonylContact C-O 3.55Å; M257-V273 WeakPolarHBondContact CA-O 3.46Å; M257-V274 HydrophobicContact CG-CG2 4.39Å; M257-W480 HydrophobicContact CB-CH2 4.48Å; M257-W480 HydrophobicContact CG-CH2 4Å; M257-W480 HydrophobicContact CG-CZ2 4.36Å; M257-W480 HydrophobicContact SD-CH2 4.33Å; M257-W480 HydrophobicContact SD-CZ2 4.14Å
258G97.7Very high81.3Confident0 Ų054.4 Ų54.40%032%0.317CS..EExtended strand (participates in β ladder)trans-145.9161.9-179.300000113.3S226 V272 V273S226-G258 CarbonylContact O-C 3.59Å; S226-G258 WeakPolarHBondContact O-CA 3.48Å; G258-V272 CarbonylContact O-C 3.56Å; G258-V272 WeakPolarHBondContact O-CA 3.28Å; G258-V273 PolarHBondContact N-O 3.21Å; G258-V273 PolarHBondContact O-N 3.42Å
259E96.5Very high81.3Confident57 Ų5763 Ų6327%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-106127.9173.4-56.9-177.4139.600110.5T225 S226 K270 W480T225-E259 PolarHBondContact N-O 3.13Å; T225-E259 PolarHBondContact OG1-O 2.75Å; S226-E259 PolarHBondContact O-N 3.46Å; S226-E259 WeakPolarHBondContact OG-CB 3.26Å; S226-E259 VanDerWaalsContact OG-CG 3.28Å; S226-E259 WeakPolarHBondContact OG-CG 3.49Å; S226-E259 PolarHBondContact OG-OE2 2.95Å; E259-K270 HydrophobicContact CB-CB 4.25Å; E259-K270 HydrophobicContact CB-CD 3.77Å; E259-K270 HydrophobicContact CG-CD 4.34Å; E259-K270 WeakPolarHBondContact OE2-CD 3.19Å; E259-K270 IonicContact OE2-NZ 3.31Å; E259-K270 PolarHBondContact OE2-NZ 2.86Å; E259-W480 HydrophobicContact CG-CH2 4.31Å; E259-W480 HydrophobicContact CG-CZ3 4.06Å
260L94.9Very high81.5Confident0 Ų065 Ų650%035%0.35CS..EExtended strand (participates in β ladder)trans-77.9148.5171.9-62.8178.5000110.9I175 V215 L222 Q223 I224 P271I175-L260 HydrophobicContact CD1-CD1 4.23Å; V215-L260 HydrophobicContact CG1-CD1 4.5Å; V215-L260 HydrophobicContact CG1-CD2 3.88Å; L222-L260 HydrophobicContact CB-CB 4.2Å; L222-L260 HydrophobicContact CB-CD1 4.47Å; L222-L260 HydrophobicContact CD1-CB 4.49Å; Q223-L260 CarbonylContact O-C 3.46Å; Q223-L260 WeakPolarHBondContact O-CA 3.19Å; I224-L260 HydrophobicContact CG1-CD2 3.66Å; L260-P271 HydrophobicContact CB-CB 4.18Å; L260-P271 HydrophobicContact CB-CG 4.41Å; L260-P271 HydrophobicContact CD1-CB 4.19Å; L260-P271 PolarHBondContact N-O 2.85Å
261G89Confident81.9Confident14 Ų1465.1 Ų65.114%0.14435%0.351CS..PPolyproline II helixtrans-57.2153.617200000112Q223Q223-G261 PolarHBondContact O-N 3.41Å
262K70.8Confident82.2Confident103 Ų10366.3 Ų66.345%0.44836%0.358SS..PPolyproline II helixtrans-80.7139.4179.2-96.7-171.6179.5-168.60111.6F268 K270K262-F268 WeakPolarHBondContact CE-O 3.41Å; K262-F268 PolarHBondContact NZ-O 3.01Å; K262-K270 HydrophobicContact CG-CG 4.36Å
263P56.1Low82.7Confident71 Ų7165.7 Ų65.746%0.46136%0.355SS..PPolyproline II helixtrans-67.8146.3141.3-421.6000108.6L222 L265L222-P263 HydrophobicContact CD2-CG 4.42Å; P263-L265 PolarHBondContact O-N 3.44Å
264P51.6Low83Confident135 Ų13563 Ų6388%0.87735%0.347SS*.SBendtrans-67.415.5-158.925.1-35000117.8S266P264-S266 PolarHBondContact O-N 2.75Å
265L56.6Low83.1Confident112 Ų11263.4 Ų63.459%0.58635%0.35SS*.  trans-84.3118.2-177.3-70.8162.1000112.1P263 F268P263-L265 PolarHBondContact O-N 3.44Å; L265-F268 HydrophobicContact CB-CD2 4.25Å
266S56Low83.1Confident116 Ų11664 Ų6481%0.81135%0.351SS*.THydrogen-bonded Turntrans-61.4131.8173.651.90000111.3P264P264-S266 PolarHBondContact O-N 2.75Å
267G64.4Low83Confident79 Ų7963.8 Ų63.881%0.81435%0.35SS*.THydrogen-bonded Turntrans109.2-19.4174.100000116.3
268F65.9Low82.7Confident125 Ų12560.3 Ų60.355%0.54833%0.333SS..PPolyproline II helixtrans-84.4142.7176.2-71.9-84.7000112K262 L265K262-F268 WeakPolarHBondContact CE-O 3.41Å; K262-F268 PolarHBondContact NZ-O 3.01Å; L265-F268 HydrophobicContact CB-CD2 4.25Å
269R79.8Confident82.2Confident238 Ų23860.5 Ų60.590%0.89834%0.335SS*.PPolyproline II helixtrans-66.9149.1169-68.6-175.7179.9-179.8-0.1109.1
270K88.7Confident81.5Confident76 Ų7661.1 Ų61.133%0.3334%0.34SS..PPolyproline II helixtrans-62.6136.9174.1-71.3-174.6-174.8177.50109.1T225 E259 K262T225-K270 PolarHBondContact OG1-NZ 2.74Å; E259-K270 HydrophobicContact CB-CB 4.25Å; E259-K270 HydrophobicContact CB-CD 3.77Å; E259-K270 HydrophobicContact CG-CD 4.34Å; E259-K270 WeakPolarHBondContact OE2-CD 3.19Å; E259-K270 IonicContact OE2-NZ 3.31Å; E259-K270 PolarHBondContact OE2-NZ 2.86Å; K262-K270 HydrophobicContact CG-CG 4.36Å
271P93.8Very high80.4Confident9 Ų962.7 Ų62.76%0.05835%0.348CS..PPolyproline II helixtrans-62.8145.9172.3-15.728.8000110.1I172 E173 L260I172-P271 HydrophobicContact CG2-CB 4.27Å; I172-P271 WeakPolarHBondContact O-CG 3.28Å; E173-P271 WeakPolarHBondContact O-CA 3.34Å; L260-P271 HydrophobicContact CB-CB 4.18Å; L260-P271 HydrophobicContact CB-CG 4.41Å; L260-P271 HydrophobicContact CD1-CB 4.19Å; L260-P271 PolarHBondContact N-O 2.85Å
272V96.2Very high79.2Confident39 Ų3967 Ų6724%0.23637%0.374CS..EExtended strand (participates in β ladder)trans-108.4138.9-177.3177.70000110.3E173 S174 I175 M257 G258 V274E173-V272 PolarHBondContact O-N 3.4Å; S174-V272 CarbonylContact C-O 3.59Å; S174-V272 WeakPolarHBondContact CA-O 3.34Å; S174-V272 VanDerWaalsContact CB-O 3.25Å; S174-V272 WeakPolarHBondContact CB-O 3.3Å; I175-V272 PolarHBondContact N-O 2.93Å; M257-V272 HydrophobicContact CE-CG1 3.69Å; M257-V272 HydrophobicContact CG-CG1 4.07Å; G258-V272 CarbonylContact O-C 3.56Å; G258-V272 WeakPolarHBondContact O-CA 3.28Å; V272-V274 HydrophobicContact CG1-CG2 4.21Å
273V98Very high78.7Confident2 Ų265 Ų651%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-106.2136.9167.3660000110I175 V215 I224 M257 G258 V275I175-V273 HydrophobicContact CB-CG2 4.36Å; I175-V273 CarbonylContact O-C 3.55Å; I175-V273 VanDerWaalsContact O-CA 3.29Å; I175-V273 WeakPolarHBondContact O-CA 3.05Å; V215-V273 HydrophobicContact CG1-CB 4.4Å; V215-V273 HydrophobicContact CG1-CG2 3.97Å; V215-V273 HydrophobicContact CG2-CG2 3.69Å; I224-V273 HydrophobicContact CD1-CG1 4.05Å; I224-V273 HydrophobicContact CG1-CG1 4.11Å; M257-V273 CarbonylContact C-O 3.55Å; M257-V273 WeakPolarHBondContact CA-O 3.46Å; G258-V273 PolarHBondContact N-O 3.21Å; G258-V273 PolarHBondContact O-N 3.42Å; V273-V275 HydrophobicContact CG2-CG2 3.97Å
274V98.4Very high78.7Confident27 Ų2764.1 Ų64.116%0.16436%0.359CS..EExtended strand (participates in β ladder)trans-125.3125170.3-177.60000107.8I175 H176 I177 I256 M257 V272 I276I175-V274 PolarHBondContact O-N 3.14Å; H176-V274 CarbonylContact C-O 3.48Å; H176-V274 VanDerWaalsContact CA-O 3.32Å; H176-V274 WeakPolarHBondContact CA-O 3.34Å; I177-V274 PolarHBondContact N-O 2.89Å; I256-V274 CarbonylContact O-C 3.48Å; I256-V274 WeakPolarHBondContact O-CA 3.39Å; M257-V274 HydrophobicContact CG-CG2 4.39Å; V272-V274 HydrophobicContact CG1-CG2 4.21Å; V274-I276 HydrophobicContact CG1-CG1 4.39Å
275V98.2Very high78.6Confident10 Ų1068.8 Ų68.86%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-123.3126.9175.8-175.10000109I177 L211 T255 I256 V273 L277I177-V275 HydrophobicContact CB-CG1 4.32Å; I177-V275 HydrophobicContact CB-CG2 4.3Å; I177-V275 HydrophobicContact CG2-CG1 4.46Å; I177-V275 CarbonylContact O-C 3.49Å; I177-V275 WeakPolarHBondContact O-CA 3.35Å; L211-V275 HydrophobicContact CD1-CG1 3.55Å; T255-V275 CarbonylContact C-O 3.33Å; T255-V275 WeakPolarHBondContact CA-O 3.42Å; I256-V275 HydrophobicContact CB-CB 4.2Å; I256-V275 HydrophobicContact CD1-CB 4.34Å; I256-V275 PolarHBondContact N-O 3Å; I256-V275 PolarHBondContact O-N 3.35Å; V273-V275 HydrophobicContact CG2-CG2 3.97Å; V275-L277 HydrophobicContact CG1-CD2 4.43Å; V275-L277 HydrophobicContact CG1-CG 4.36Å
276I97.1Very high78.1Confident47 Ų4771.1 Ų71.124%0.24137%0.373CS..EExtended strand (participates in β ladder)trans-117.2122.4174.6-58.4175.5000108.1I177 K178 L179 Y253 V254 T255 V274I177-I276 PolarHBondContact O-N 3.41Å; K178-I276 WeakPolarHBondContact CA-O 3.49Å; K178-I276 HydrophobicContact CG-CB 4.48Å; L179-I276 PolarHBondContact N-O 3.48Å; Y253-I276 HydrophobicContact CE2-CG2 4.04Å; V254-I276 WeakPolarHBondContact O-CA 3.44Å; T255-I276 HydrophobicContact CG2-CG1 4.41Å; V274-I276 HydrophobicContact CG1-CG1 4.39Å
277L94.7Very high77.7Confident0 Ų070 Ų700%035%0.351CS..EExtended strand (participates in β ladder)trans-111.2130.3172.9-58.9168.7000108L179 L203 F207 C208 L211 Y253 V254 V275L179-L277 HydrophobicContact CB-CD2 3.73Å; L179-L277 HydrophobicContact CD1-CD2 4.02Å; L179-L277 HydrophobicContact CD2-CD2 4.18Å; L179-L277 HydrophobicContact CG-CD2 4.21Å; L179-L277 CarbonylContact O-C 3.55Å; L179-L277 WeakPolarHBondContact O-CA 3.33Å; L203-L277 HydrophobicContact CB-CB 4Å; L203-L277 HydrophobicContact CB-CD1 4.13Å; L203-L277 HydrophobicContact CD1-CB 3.91Å; F207-L277 HydrophobicContact CB-CD2 4.19Å; C208-L277 HydrophobicContact CB-CD1 4.45Å; L211-L277 HydrophobicContact CD1-CD2 3.34Å; L211-L277 HydrophobicContact CD1-CG 4.37Å; Y253-L277 WeakPolarHBondContact CA-O 3.37Å; V254-L277 HydrophobicContact CB-CB 4.08Å; V254-L277 HydrophobicContact CB-CD1 4.12Å; V254-L277 HydrophobicContact CB-CG 4.48Å; V254-L277 HydrophobicContact CG2-CB 4.42Å; V254-L277 HydrophobicContact CG2-CD1 4.34Å; V254-L277 PolarHBondContact N-O 3.25Å; V254-L277 PolarHBondContact O-N 3.49Å; V275-L277 HydrophobicContact CG1-CD2 4.43Å; V275-L277 HydrophobicContact CG1-CG 4.36Å
278S93Very high76.7Confident6 Ų673.3 Ų73.34%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-142.7140.9173.162.50000113.6L179 R180 T181 D280L179-S278 PolarHBondContact O-N 2.84Å; R180-S278 CarbonylContact C-O 3.53Å; R180-S278 WeakPolarHBondContact CA-O 2.96Å; R180-S278 WeakPolarHBondContact CG-OG 3.39Å; T181-S278 PolarHBondContact N-O 3.45Å; S278-D280 VanDerWaalsContact C-N 3.34Å; S278-D280 PolarHBondContact O-N 2.73Å; S278-D280 VanDerWaalsContact OG-CG 3.25Å; S278-D280 PolarHBondContact OG-OD1 3.14Å
279A87.5Confident75.5Confident4 Ų473.2 Ų73.23%0.03336%0.363CS..EExtended strand (participates in β ladder)trans-97.949.1172.800000111.5T181 N183 L203 R236 D252T181-A279 HydrophobicContact CG2-CB 4.43Å; T181-A279 CarbonylContact O-C 3.58Å; T181-A279 VanDerWaalsContact O-C 3.31Å; T181-A279 VanDerWaalsContact O-CA 3.26Å; T181-A279 WeakPolarHBondContact O-CA 3.03Å; N183-A279 HydrophobicContact CB-CB 4.25Å; L203-A279 HydrophobicContact CD1-CB 4.26Å; L203-A279 HydrophobicContact CD2-CB 4.32Å; R236-A279 PolarHBondContact NH2-O 3.17Å; D252-A279 HydrophobicContact CB-CB 4.06Å; D252-A279 PolarHBondContact O-N 2.8Å
280D80.8Confident74Confident71 Ų7163 Ų6338%0.3833%0.328SS..EExtended strand (participates in β ladder)trans-96.2-1.3-17362.4-28.1000114R180 T181 S278 P282R180-D280 WeakPolarHBondContact CG-OD1 3.37Å; R180-D280 IonicContact CZ-OD2 2.63Å; R180-D280 IonicContact NE-OD1 2.76Å; R180-D280 IonicContact NE-OD2 3.91Å; R180-D280 PolarHBondContact NE-OD2 2.87Å; R180-D280 VanDerWaalsContact NE-OD2 3.13Å; R180-D280 IonicContact NH2-OD2 3.58Å; T181-D280 PolarHBondContact O-N 2.92Å; S278-D280 VanDerWaalsContact C-N 3.34Å; S278-D280 PolarHBondContact O-N 2.73Å; S278-D280 VanDerWaalsContact OG-CG 3.25Å; S278-D280 PolarHBondContact OG-OD1 3.14Å; D280-P282 WeakPolarHBondContact O-CD 3.27Å
281I71.4Confident72Confident32 Ų3261.2 Ų61.216%0.16432%0.322CS..EExtended strand (participates in β ladder)trans-77.8118.9175.9-55.4-178.8000109R180 T181 V182 F283 H300R180-I281 HydrophobicContact CB-CD1 4.02Å; R180-I281 HydrophobicContact CB-CG1 4.1Å; T181-I281 WeakPolarHBondContact O-CB 2.95Å; T181-I281 WeakPolarHBondContact O-CG1 3.33Å; T181-I281 PolarHBondContact O-N 2.75Å; T181-I281 VanDerWaalsContact O-N 3.07Å; V182-I281 HydrophobicContact CG1-CB 4.04Å; V182-I281 HydrophobicContact CG1-CG2 3.87Å; I281-F283 PolarHBondContact O-N 2.94Å; I281-H300 WeakPolarHBondContact CG2-O 3.07Å
282P64.1Low69.8Low106 Ų10662.2 Ų62.269%0.68833%0.328SS*.PPolyproline II helixtrans-67.1134.9177.325.7-31.1000110.3D280D280-P282 WeakPolarHBondContact O-CD 3.27Å
283F60.4Low67.2Low60 Ų6064 Ų6426%0.26333%0.334SS..PPolyproline II helixtrans-61.8137.5174.8-124.8-87.9000109.8V182 I281 R285 L291 A294V182-F283 HydrophobicContact CB-CD2 3.83Å; V182-F283 HydrophobicContact CB-CE2 3.8Å; V182-F283 HydrophobicContact CG1-CD2 4.11Å; V182-F283 HydrophobicContact CG1-CE2 4.29Å; V182-F283 HydrophobicContact CG2-CD2 4.35Å; V182-F283 HydrophobicContact CG2-CE2 3.79Å; V182-F283 HydrophobicContact CG2-CZ 4.48Å; I281-F283 PolarHBondContact O-N 2.94Å; F283-R285 PolarHBondContact O-N 2.92Å; F283-L291 HydrophobicContact CE1-CG 3.97Å; F283-L291 HydrophobicContact CZ-CB 4.47Å; F283-L291 HydrophobicContact CZ-CD2 4.38Å; F283-L291 HydrophobicContact CZ-CG 3.86Å; F283-A294 HydrophobicContact CZ-CB 4.38Å
284P56.2Low64.7Low52 Ų5264.3 Ų64.334%0.33834%0.337SS..  trans-60.5113.9171.3-16.728.4000108.7N286 R287P284-N286 PolarHBondContact O-N 3.02Å; P284-R287 PolarHBondContact O-N 2.68Å
285R49.6Very low62.3Low233 Ų23364.7 Ų64.788%0.87934%0.337SS*.THydrogen-bonded Turntrans-55.7-12.6-174.9-70-174.9-173.9-179.81.5114.9F283F283-R285 PolarHBondContact O-N 2.92Å
286N46.3Very low59.9Low161 Ų16165 Ų6586%0.86134%0.337SS*.THydrogen-bonded Turntrans-100.18.6-176.7-72.7-5.4000115P284P284-N286 PolarHBondContact O-N 3.02Å
287R48.2Very low57.3Low94 Ų9463.9 Ų63.936%0.35533%0.331SS..  trans-122.540.5-175.5-70.6-162-171.7173.211.3115.1P284 S289 S290 D298P284-R287 PolarHBondContact O-N 2.68Å; R287-S289 PolarHBondContact O-N 3.14Å; R287-S289 VanDerWaalsContact O-N 3.1Å; R287-S290 PolarHBondContact O-N 3.32Å; R287-D298 IonicContact CZ-OD2 2.64Å; R287-D298 IonicContact NH1-OD2 2.8Å; R287-D298 PolarHBondContact NH1-OD2 3.13Å; R287-D298 IonicContact NH2-OD2 3.77Å
288I41.4Very low55.1Low147 Ų14765 Ų6575%0.75434%0.336SS*.THydrogen-bonded Turntrans-58.5-25.7179.7-57.8172.7000112L291I288-L291 VanDerWaalsContact O-CD1 3.25Å; I288-L291 WeakPolarHBondContact O-CD1 3.35Å
289S41.3Very low52.7Low123 Ų12367.1 Ų67.186%0.8635%0.347SS*.THydrogen-bonded Turntrans-90.6-1.2-178.856.20000116R287R287-S289 PolarHBondContact O-N 3.14Å; R287-S289 VanDerWaalsContact O-N 3.1Å
290S49Very low50.9Low24 Ų2473.4 Ų73.417%0.16838%0.376CS..  trans-131.726.2-175.3620000115R287 P292 E293R287-S290 PolarHBondContact O-N 3.32Å; S290-P292 VanDerWaalsContact C-N 3.3Å; S290-P292 VanDerWaalsContact O-N 3.12Å; S290-E293 PolarHBondContact O-N 3.47Å
291L47.3Very low50.2Low39 Ų3970.2 Ų70.220%0.20436%0.359CS..G310 helixtrans-42.8-45.7178.7-95.691.3000114.7D186 F283 I288 E293 H295D186-L291 HydrophobicContact CB-CD2 3.94Å; F283-L291 HydrophobicContact CE1-CG 3.97Å; F283-L291 HydrophobicContact CZ-CB 4.47Å; F283-L291 HydrophobicContact CZ-CD2 4.38Å; F283-L291 HydrophobicContact CZ-CG 3.86Å; I288-L291 VanDerWaalsContact O-CD1 3.25Å; I288-L291 WeakPolarHBondContact O-CD1 3.35Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 2.94Å; L291-H295 PolarHBondContact O-NE2 2.87Å
292P46.3Very low50.4Low29 Ų2969.3 Ų69.319%0.18835%0.354CS..G310 helixtrans-69-28.3-176.5-21.834.1000114.7Q13 S17 S290 A294 H295Q13-P292 HydrophobicContact CB-CB 4.02Å; Q13-P292 HydrophobicContact CB-CG 3.97Å; S17-P292 PolarHBondContact OG-O 3.1Å; S290-P292 VanDerWaalsContact C-N 3.3Å; S290-P292 VanDerWaalsContact O-N 3.12Å; P292-A294 VanDerWaalsContact C-N 3.31Å; P292-A294 PolarHBondContact O-N 3.35Å; P292-H295 PolarHBondContact O-CD2 3.17Å; P292-H295 PolarHBondContact O-N 3.44Å
293E43.2Very low51.5Low76 Ų7668.4 Ų68.436%0.35534%0.337SS..G310 helixtrans-72.9-26.8-172.1-62.8-169.9153.900112.5K20 S290 L291 H295K20-E293 HydrophobicContact CD-CG 4.41Å; K20-E293 IonicContact NZ-OE1 3.82Å; K20-E293 PolarHBondContact NZ-OE1 3.36Å; S290-E293 PolarHBondContact O-N 3.47Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 2.94Å; E293-H295 PolarHBondContact O-N 3.05Å
294A43.5Very low52.9Low10 Ų1065.6 Ų65.68%0.08332%0.324CS..Hα-helixtrans-61.6-29.7178.700000112.7F283 P292 F296 C301F283-A294 HydrophobicContact CZ-CB 4.38Å; P292-A294 VanDerWaalsContact C-N 3.31Å; P292-A294 PolarHBondContact O-N 3.35Å; A294-F296 PolarHBondContact O-N 2.98Å; A294-C301 HydrophobicContact CB-CB 4.2Å
295H48.5Very low54.7Low35 Ų3565 Ų6516%0.16232%0.317CS..Hα-helixtrans-71.9-26-166.7-57.1-47.7000115F184 L291 P292 E293F184-H295 AromaticContact CD1-CE1 3.7Å; F184-H295 AromaticContact CD1-ND1 3.75Å; F184-H295 AromaticContact CE1-ND1 3.72Å; L291-H295 PolarHBondContact O-NE2 2.87Å; P292-H295 PolarHBondContact O-CD2 3.17Å; P292-H295 PolarHBondContact O-N 3.44Å; E293-H295 PolarHBondContact O-N 3.05Å
296F47.3Very low57Low15 Ų1554 Ų547%0.06628%0.275CS..Hα-helixtrans-117.3-13.4-175-70.7-90.6000113.7I14 V18 A294 S427 G430 W433I14-F296 HydrophobicContact CG2-CE2 4.04Å; I14-F296 HydrophobicContact CG2-CZ 3.79Å; V18-F296 HydrophobicContact CG2-CZ 4.38Å; A294-F296 PolarHBondContact O-N 2.98Å; F296-S427 PolarHBondContact O-OG 3Å; F296-G430 WeakPolarHBondContact O-CA 3.27Å; F296-G430 PolarHBondContact O-N 2.92Å; F296-W433 AromaticContact CD1-CD1 3.82Å; F296-W433 AromaticContact CD1-CE2 3.94Å; F296-W433 HydrophobicContact CD1-CG 4.47Å; F296-W433 HydrophobicContact CD1-CZ2 4.49Å; F296-W433 AromaticContact CD1-NE1 3.47Å; F296-W433 AromaticContact CE1-CE2 3.74Å; F296-W433 AromaticContact CE1-CZ2 3.84Å; F296-W433 HydrophobicContact CE1-CZ2 3.84Å; F296-W433 AromaticContact CE1-NE1 3.58Å
297Y43Very low59.4Low25 Ų2549.6 Ų49.610%0.09825%0.25CC..Hα-helixtrans-138.9-11.8-164.6-74.5-59.6000117.6M21 L426 S427M21-Y297 WeakPolarHBondContact CA-OH 3.45Å; M21-Y297 HydrophobicContact CB-CE2 3.69Å; M21-Y297 WeakPolarHBondContact CB-OH 3.38Å; M21-Y297 WeakPolarHBondContact CG-OH 3.49Å; Y297-L426 HydrophobicContact CD1-CD2 3.32Å; Y297-L426 HydrophobicContact CE1-CD2 3.29Å; Y297-S427 PolarHBondContact O-N 2.81Å
298D48.6Very low61.7Low23 Ų2345.1 Ų45.112%0.12323%0.233CC..  trans-105115.4-176-156.7-28.1000112.2R287 H300 C301R287-D298 IonicContact CZ-OD2 2.64Å; R287-D298 IonicContact NH1-OD2 2.8Å; R287-D298 PolarHBondContact NH1-OD2 3.13Å; R287-D298 IonicContact NH2-OD2 3.77Å; D298-H300 PolarHBondContact O-N 2.84Å; D298-H300 WeakPolarHBondContact OD1-CB 3.46Å; D298-H300 IonicContact OD1-CD2 3.1Å; D298-H300 PolarHBondContact OD1-CD2 3.35Å; D298-H300 IonicContact OD1-CG 3.52Å; D298-H300 PolarHBondContact OD1-N 2.94Å; D298-C301 PolarHBondContact O-N 3.49Å
299N43.4Very low64.3Low51 Ų5139.2 Ų39.227%0.27320%0.203SC..G310 helixtrans-59.6-23.8175.1-91.6-39.8000112.2C301 L426 S427 A428N299-C301 PolarHBondContact O-N 3.35Å; N299-C301 VanDerWaalsContact O-N 3.17Å; N299-L426 PolarHBondContact ND2-O 2.83Å; N299-S427 WeakPolarHBondContact OD1-CA 3.36Å; N299-S427 WeakPolarHBondContact OD1-CB 3.32Å; N299-A428 PolarHBondContact OD1-N 3.31Å; N299-A428 VanDerWaalsContact OD1-N 3.07Å
300H50Low66.8Low135 Ų13533.3 Ų33.363%0.62516%0.162SC*.G310 helixtrans-70.9-6.6178-61.4-57.2000113.1I281 D298I281-H300 WeakPolarHBondContact CG2-O 3.07Å; D298-H300 PolarHBondContact O-N 2.84Å; D298-H300 WeakPolarHBondContact OD1-CB 3.46Å; D298-H300 IonicContact OD1-CD2 3.1Å; D298-H300 PolarHBondContact OD1-CD2 3.35Å; D298-H300 IonicContact OD1-CG 3.52Å; D298-H300 PolarHBondContact OD1-N 2.94Å
301C65.6Low68.7Low4 Ų434.5 Ų34.53%0.02717%0.17CC..G310 helixtrans-118.20.9-174.5-610000114T181 V182 A294 D298 N299T181-C301 VanDerWaalsContact CA-O 3.24Å; T181-C301 WeakPolarHBondContact CA-O 3.34Å; T181-C301 PolarHBondContact OG1-O 2.97Å; V182-C301 HydrophobicContact CB-CB 4.42Å; V182-C301 HydrophobicContact CG1-CB 3.68Å; V182-C301 HydrophobicContact CG2-CB 3.91Å; V182-C301 PolarHBondContact N-O 3.3Å; V182-C301 VanDerWaalsContact N-O 3.13Å; A294-C301 HydrophobicContact CB-CB 4.2Å; D298-C301 PolarHBondContact O-N 3.49Å; N299-C301 PolarHBondContact O-N 3.35Å; N299-C301 VanDerWaalsContact O-N 3.17Å
302F76.5Confident70.9Confident13 Ų1335.7 Ų35.76%0.05718%0.179CC..EExtended strand (participates in β ladder)trans-150.2127.1-176.3-176.1-89.8000111.6L179 R180 F207 L304 T429L179-F302 HydrophobicContact CD1-CE2 3.64Å; L179-F302 HydrophobicContact CD1-CZ 3.85Å; L179-F302 HydrophobicContact CD2-CD2 4.42Å; L179-F302 HydrophobicContact CD2-CE2 3.99Å; L179-F302 HydrophobicContact CG-CE2 3.74Å; L179-F302 HydrophobicContact CG-CZ 4.05Å; R180-F302 CarbonylContact O-C 3.45Å; R180-F302 WeakPolarHBondContact O-CA 3.24Å; F207-F302 HydrophobicContact CD1-CE2 4.22Å; F207-F302 HydrophobicContact CE1-CD2 4.2Å; F207-F302 AromaticContact CE1-CE2 3.74Å; F207-F302 HydrophobicContact CE1-CE2 3.74Å; F207-F302 HydrophobicContact CZ-CD2 4.34Å; F207-F302 HydrophobicContact CZ-CE2 4.23Å; F302-L304 HydrophobicContact CE1-CB 3.63Å; F302-L304 HydrophobicContact CE1-CD2 4.45Å; F302-L304 HydrophobicContact CZ-CB 4.05Å; F302-L304 HydrophobicContact CZ-CD2 4.44Å; F302-T429 WeakPolarHBondContact CD1-OG1 3.25Å; F302-T429 WeakPolarHBondContact CE1-OG1 3.48Å; F302-T429 VanDerWaalsContact CG-OG1 3.26Å; F302-T429 WeakPolarHBondContact CG-OG1 3.45Å
303R85.3Confident73.2Confident88 Ų8834.3 Ų34.333%0.33217%0.17SC..EExtended strand (participates in β ladder)trans-133.3126.6173-177175.3177.7177.7-3109.7L179 R180 E305 D318L179-R303 CarbonylContact C-O 3.56Å; L179-R303 WeakPolarHBondContact CA-O 3.31Å; R180-R303 HydrophobicContact CB-CB 4.36Å; R180-R303 PolarHBondContact N-O 2.92Å; R180-R303 PolarHBondContact O-N 2.94Å; R303-E305 HydrophobicContact CG-CG 4.45Å; R303-E305 IonicContact CZ-OE1 3.14Å; R303-E305 IonicContact NE-OE1 2.82Å; R303-E305 PolarHBondContact NE-OE1 3.45Å; R303-E305 IonicContact NH2-OE1 2.78Å; R303-E305 PolarHBondContact NH2-OE1 3.14Å; R303-D318 IonicContact NH2-OD2 3.81Å
304L90.8Very high75.7Confident1 Ų131.4 Ų31.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-123.4120.8177.7-178.565.2000109.8L135 I177 K178 L179 L211 L214 F302 I306 E319L135-L304 HydrophobicContact CD1-CD2 3.28Å; I177-L304 HydrophobicContact CG2-CD1 3.58Å; K178-L304 WeakPolarHBondContact O-CA 2.93Å; L179-L304 HydrophobicContact CB-CD1 4.02Å; L179-L304 HydrophobicContact CD1-CD1 4.4Å; L179-L304 HydrophobicContact CG-CD1 4.4Å; L211-L304 HydrophobicContact CD2-CD1 4.27Å; L214-L304 HydrophobicContact CD2-CD2 4.37Å; F302-L304 HydrophobicContact CE1-CB 3.63Å; F302-L304 HydrophobicContact CE1-CD2 4.45Å; F302-L304 HydrophobicContact CZ-CB 4.05Å; F302-L304 HydrophobicContact CZ-CD2 4.44Å; L304-I306 HydrophobicContact CD1-CG1 4.35Å; L304-I306 HydrophobicContact CD2-CD1 4.1Å; L304-I306 HydrophobicContact CD2-CG1 4.47Å; L304-I306 HydrophobicContact CG-CD1 4.23Å; L304-I306 HydrophobicContact CG-CG1 4.08Å; L304-E319 HydrophobicContact CD2-CG 4.45Å; L304-E319 PolarHBondContact O-N 2.77Å
305E93.9Very high78.2Confident40 Ų4031 Ų3119%0.18715%0.154CC..EExtended strand (participates in β ladder)trans-115.9132.8174.1-61.9175.3155.500108.3I177 K178 R303 I317I177-E305 WeakPolarHBondContact CA-O 3.01Å; K178-E305 HydrophobicContact CB-CB 4.39Å; K178-E305 PolarHBondContact N-O 3.23Å; K178-E305 PolarHBondContact O-N 2.9Å; R303-E305 HydrophobicContact CG-CG 4.45Å; R303-E305 IonicContact CZ-OE1 3.14Å; R303-E305 IonicContact NE-OE1 2.82Å; R303-E305 PolarHBondContact NE-OE1 3.45Å; R303-E305 IonicContact NH2-OE1 2.78Å; R303-E305 PolarHBondContact NH2-OE1 3.14Å; E305-I317 CarbonylContact C-O 3.31Å; E305-I317 VanDerWaalsContact CA-O 3.29Å; E305-I317 WeakPolarHBondContact CA-O 3.34Å
306I97Very high80.5Confident0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-130.7122.8-179-54.1160.2000107.8S138 H176 I177 L214 L218 L304 V308 I317S138-I306 WeakPolarHBondContact OG-CD1 3.35Å; H176-I306 CarbonylContact O-C 3.57Å; H176-I306 WeakPolarHBondContact O-CA 3.31Å; I177-I306 HydrophobicContact CG1-CG1 4.39Å; I177-I306 HydrophobicContact CG1-CG2 4.21Å; I177-I306 HydrophobicContact CG2-CG1 4.45Å; L214-I306 HydrophobicContact CD2-CD1 3.76Å; L218-I306 HydrophobicContact CD1-CG2 3.84Å; L304-I306 HydrophobicContact CD1-CG1 4.35Å; L304-I306 HydrophobicContact CD2-CD1 4.1Å; L304-I306 HydrophobicContact CD2-CG1 4.47Å; L304-I306 HydrophobicContact CG-CD1 4.23Å; L304-I306 HydrophobicContact CG-CG1 4.08Å; I306-V308 HydrophobicContact CG2-CG2 4.02Å; I306-I317 HydrophobicContact CB-CB 4.18Å; I306-I317 PolarHBondContact N-O 2.81Å; I306-I317 PolarHBondContact O-N 2.84Å
307E97.7Very high82.8Confident69 Ų6931.8 Ų31.832%0.32216%0.16SC..EExtended strand (participates in β ladder)trans-112124.7172.8-165.3-172.5156.900109.6I175 H176 N309 S314 F315 L316I175-E307 CarbonylContact C-O 3.52Å; I175-E307 WeakPolarHBondContact CA-O 3.19Å; H176-E307 HydrophobicContact CB-CB 4.2Å; H176-E307 PolarHBondContact N-O 3.26Å; H176-E307 PolarHBondContact O-N 3.27Å; E307-N309 VanDerWaalsContact CD-ND2 3.34Å; E307-N309 PolarHBondContact OE1-ND2 2.82Å; E307-N309 PolarHBondContact OE1-OD1 3.17Å; E307-S314 WeakPolarHBondContact CG-OG 3.26Å; E307-S314 PolarHBondContact OE1-OG 2.99Å; E307-F315 CarbonylContact C-O 3.58Å; E307-F315 WeakPolarHBondContact CA-O 3.41Å; E307-F315 WeakPolarHBondContact CG-O 3.46Å; E307-L316 HydrophobicContact CB-CD1 4.12Å; E307-L316 HydrophobicContact CG-CD1 4.4Å
308V97.2Very high85.1Confident1 Ų130.8 Ų30.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-116.9107.8177.3-173.60000108.5L141 L169 I175 I306 S314 F315L141-V308 HydrophobicContact CD2-CB 4.39Å; L141-V308 HydrophobicContact CD2-CG2 3.88Å; L169-V308 HydrophobicContact CD1-CG1 4.26Å; L169-V308 WeakPolarHBondContact CD1-O 3.38Å; L169-V308 HydrophobicContact CD2-CG1 3.58Å; I175-V308 HydrophobicContact CG1-CG1 4.26Å; I306-V308 HydrophobicContact CG2-CG2 4.02Å; V308-S314 WeakPolarHBondContact O-CA 3.17Å; V308-F315 HydrophobicContact CB-CB 4.4Å; V308-F315 PolarHBondContact N-O 2.94Å; V308-F315 PolarHBondContact O-N 2.96Å
309N95.6Very high86.9Confident22 Ų2229.9 Ų29.912%0.11815%0.152CC..EExtended strand (participates in β ladder)trans-97.1133.1-179.5-78.7-72.4000110.7E173 S174 E307 S314E173-N309 PolarHBondContact N-O 2.92Å; S174-N309 PolarHBondContact N-O 3.22Å; S174-N309 VanDerWaalsContact N-O 3.16Å; S174-N309 PolarHBondContact O-N 2.73Å; S174-N309 WeakPolarHBondContact OG-CB 3.43Å; E307-N309 VanDerWaalsContact CD-ND2 3.34Å; E307-N309 PolarHBondContact OE1-ND2 2.82Å; E307-N309 PolarHBondContact OE1-OD1 3.17Å; N309-S314 WeakPolarHBondContact OD1-CB 3.44Å; N309-S314 PolarHBondContact OD1-OG 3.39Å
310G92.9Very high88.6Confident0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-136.3-179.4172.200000113.1L169 N171 T312 G313 R329L169-G310 CarbonylContact O-C 3.55Å; L169-G310 WeakPolarHBondContact O-CA 3.41Å; N171-G310 CarbonylContact O-C 3.59Å; N171-G310 WeakPolarHBondContact O-CA 3.27Å; G310-T312 PolarHBondContact O-N 3.43Å; G310-T312 VanDerWaalsContact O-N 3.15Å; G310-G313 PolarHBondContact N-O 2.84Å; G310-G313 VanDerWaalsContact O-O 3.12Å; G310-R329 WeakPolarHBondContact O-CD 3.43Å; G310-R329 VanDerWaalsContact O-CZ 3.26Å; G310-R329 PolarHBondContact O-NE 2.76Å; G310-R329 VanDerWaalsContact O-NE 3.09Å
311S90.3Very high90.3Very high48 Ų4827.7 Ų27.734%0.33615%0.148SC..SBendtrans-62.3-21.6-173.758.10000115L169 G170 N171 E173L169-S311 PolarHBondContact O-N 3.15Å; G170-S311 WeakPolarHBondContact CA-OG 3.33Å; N171-S311 PolarHBondContact N-OG 3.47Å; N171-S311 PolarHBondContact O-N 3.35Å; E173-S311 WeakPolarHBondContact OE1-CA 3.33Å
312T92Very high91.2Very high64 Ų6428.8 Ų28.839%0.39315%0.152SC..SBendtrans-114.4-12.8-175.144.60000113.9L168 L169 G170 G310 R329L168-T312 WeakPolarHBondContact O-CB 3.19Å; L168-T312 PolarHBondContact O-OG1 2.84Å; L169-T312 PolarHBondContact O-N 2.88Å; L169-T312 PolarHBondContact O-OG1 2.82Å; G170-T312 PolarHBondContact N-OG1 2.84Å; G170-T312 VanDerWaalsContact N-OG1 3.12Å; G310-T312 PolarHBondContact O-N 3.43Å; G310-T312 VanDerWaalsContact O-N 3.15Å; T312-R329 PolarHBondContact O-N 2.91Å
313G94.2Very high91.8Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans174.1-170.3176.700000112.6G310 W326 T327G310-G313 PolarHBondContact N-O 2.84Å; G310-G313 VanDerWaalsContact O-O 3.12Å; G313-W326 VanDerWaalsContact C-CZ3 3.45Å; G313-T327 CarbonylContact C-O 3.58Å; G313-T327 WeakPolarHBondContact CA-O 3.25Å
314S96.3Very high92.2Very high16 Ų1627 Ų2711%0.11215%0.145CC..EExtended strand (participates in β ladder)trans-131.9136.6-178.1-173.10000110.9E307 V308 N309 W326 T327E307-S314 WeakPolarHBondContact CG-OG 3.26Å; E307-S314 PolarHBondContact OE1-OG 2.99Å; V308-S314 WeakPolarHBondContact O-CA 3.17Å; N309-S314 WeakPolarHBondContact OD1-CB 3.44Å; N309-S314 PolarHBondContact OD1-OG 3.39Å; S314-W326 VanDerWaalsContact N-CZ3 3.34Å; S314-W326 WeakPolarHBondContact O-CA 3Å; S314-T327 PolarHBondContact N-O 3.32Å; S314-T327 PolarHBondContact O-N 2.94Å
315F97Very high92.4Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-97.1136.2165.1-68.8-69.3000110.3L141 L145 W167 L169 E307 V308 I324 S325 W326L141-F315 HydrophobicContact CD1-CB 4.42Å; L141-F315 HydrophobicContact CD1-CD1 4.11Å; L141-F315 HydrophobicContact CD1-CD2 3.52Å; L141-F315 HydrophobicContact CD1-CE1 4.28Å; L141-F315 HydrophobicContact CD1-CE2 3.68Å; L141-F315 HydrophobicContact CD1-CG 3.74Å; L141-F315 HydrophobicContact CD1-CZ 4.06Å; L141-F315 HydrophobicContact CD2-CB 4.14Å; L141-F315 HydrophobicContact CD2-CD2 4.36Å; L141-F315 HydrophobicContact CD2-CG 4.32Å; L145-F315 HydrophobicContact CD2-CE2 3.91Å; W167-F315 HydrophobicContact CB-CE1 3.87Å; W167-F315 HydrophobicContact CB-CZ 3.82Å; W167-F315 AromaticContact CD2-CE1 3.98Å; W167-F315 HydrophobicContact CD2-CE1 3.98Å; W167-F315 HydrophobicContact CE3-CD1 4.13Å; W167-F315 AromaticContact CE3-CE1 3.41Å; W167-F315 HydrophobicContact CE3-CE1 3.41Å; W167-F315 VanDerWaalsContact CE3-CE1 3.41Å; W167-F315 HydrophobicContact CE3-CZ 4.38Å; W167-F315 HydrophobicContact CG-CE1 4.25Å; W167-F315 HydrophobicContact CZ3-CD1 4.38Å; W167-F315 HydrophobicContact CZ3-CE1 4.09Å; L169-F315 HydrophobicContact CB-CE2 3.99Å; L169-F315 HydrophobicContact CD1-CD2 3.84Å; L169-F315 HydrophobicContact CD1-CE2 4.04Å; L169-F315 HydrophobicContact CG-CE2 4.45Å; E307-F315 CarbonylContact C-O 3.58Å; E307-F315 WeakPolarHBondContact CA-O 3.41Å; E307-F315 WeakPolarHBondContact CG-O 3.46Å; V308-F315 HydrophobicContact CB-CB 4.4Å; V308-F315 PolarHBondContact N-O 2.94Å; V308-F315 PolarHBondContact O-N 2.96Å; F315-I324 HydrophobicContact CD1-CD1 4.25Å; F315-I324 HydrophobicContact CD1-CG1 4.39Å; F315-S325 CarbonylContact C-O 3.48Å; F315-S325 VanDerWaalsContact CA-O 3.27Å; F315-S325 WeakPolarHBondContact CA-O 3.39Å; F315-W326 HydrophobicContact CD1-CB 4.27Å; F315-W326 HydrophobicContact CD1-CD2 4.39Å; F315-W326 AromaticContact CD1-CE3 3.55Å; F315-W326 HydrophobicContact CD1-CE3 3.55Å; F315-W326 HydrophobicContact CD1-CZ3 4.28Å; F315-W326 HydrophobicContact CD2-CE3 4.03Å; F315-W326 AromaticContact CD2-CZ3 3.92Å; F315-W326 HydrophobicContact CD2-CZ3 3.92Å; F315-W326 HydrophobicContact CE1-CB 4.07Å; F315-W326 AromaticContact CE1-CD2 3.87Å; F315-W326 HydrophobicContact CE1-CD2 3.87Å; F315-W326 AromaticContact CE1-CE3 3.26Å; F315-W326 HydrophobicContact CE1-CE3 3.26Å; F315-W326 HydrophobicContact CE1-CG 4.22Å; F315-W326 AromaticContact CE1-CZ3 3.97Å; F315-W326 HydrophobicContact CE1-CZ3 3.97Å; F315-W326 AromaticContact CE2-CE3 3.81Å; F315-W326 HydrophobicContact CE2-CE3 3.81Å; F315-W326 AromaticContact CE2-CZ3 3.62Å; F315-W326 HydrophobicContact CE2-CZ3 3.62Å; F315-W326 AromaticContact CG-CE3 3.91Å; F315-W326 HydrophobicContact CG-CE3 3.91Å; F315-W326 HydrophobicContact CG-CZ3 4.25Å; F315-W326 HydrophobicContact CZ-CD2 4.17Å; F315-W326 AromaticContact CZ-CE3 3.43Å; F315-W326 HydrophobicContact CZ-CE3 3.43Å; F315-W326 VanDerWaalsContact CZ-CE3 3.43Å; F315-W326 AromaticContact CZ-CZ3 3.66Å; F315-W326 HydrophobicContact CZ-CZ3 3.66Å
316L96.7Very high92.5Very high67 Ų6725.7 Ų25.735%0.35114%0.139SC..EExtended strand (participates in β ladder)trans-121.5117.7167.6178.265.7000109.6E307 I324 S325E307-L316 HydrophobicContact CB-CD1 4.12Å; E307-L316 HydrophobicContact CG-CD1 4.4Å; L316-I324 CarbonylContact O-C 3.55Å; L316-I324 WeakPolarHBondContact O-CA 3.46Å; L316-S325 PolarHBondContact N-O 3.49Å; L316-S325 PolarHBondContact O-N 2.92Å
317I94.3Very high92.4Very high1 Ų128.2 Ų28.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-103.5129.5175.9-65.1171.9000108.6L137 L141 E305 I306 E319 I324L137-I317 HydrophobicContact CB-CD1 4.43Å; L137-I317 HydrophobicContact CB-CG1 4.41Å; L137-I317 HydrophobicContact CB-CG2 3.61Å; L137-I317 HydrophobicContact CD1-CG2 3.72Å; L137-I317 HydrophobicContact CG-CG2 4.35Å; L141-I317 HydrophobicContact CB-CD1 3.92Å; L141-I317 HydrophobicContact CD2-CD1 3.51Å; L141-I317 HydrophobicContact CD2-CG1 4.42Å; L141-I317 HydrophobicContact CG-CD1 4.34Å; E305-I317 CarbonylContact C-O 3.31Å; E305-I317 VanDerWaalsContact CA-O 3.29Å; E305-I317 WeakPolarHBondContact CA-O 3.34Å; I306-I317 HydrophobicContact CB-CB 4.18Å; I306-I317 PolarHBondContact N-O 2.81Å; I306-I317 PolarHBondContact O-N 2.84Å; I317-E319 HydrophobicContact CG2-CG 3.83Å; I317-I324 HydrophobicContact CD1-CD1 4.19Å; I317-I324 HydrophobicContact CG1-CB 4.34Å; I317-I324 HydrophobicContact CG1-CD1 3.81Å; I317-I324 HydrophobicContact CG1-CG1 3.81Å
318D91.3Very high92.2Very high4 Ų425.8 Ų25.82%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-120.595.8165.7-173.3-27.5000107.4R303 G320 K321 R322 R323R303-D318 IonicContact NH2-OD2 3.81Å; D318-G320 PolarHBondContact O-N 2.96Å; D318-G320 PolarHBondContact OD1-N 3.21Å; D318-K321 HydrophobicContact CB-CB 4.15Å; D318-K321 CarbonylContact O-C 3.54Å; D318-K321 PolarHBondContact O-N 3.48Å; D318-K321 PolarHBondContact OD1-N 3.45Å; D318-K321 WeakPolarHBondContact OD2-CD 3.41Å; D318-K321 WeakPolarHBondContact OD2-CE 3.31Å; D318-K321 WeakPolarHBondContact OD2-CG 3.04Å; D318-K321 IonicContact OD2-NZ 3.75Å; D318-K321 PolarHBondContact OD2-NZ 3.02Å; D318-R322 PolarHBondContact O-N 2.88Å; D318-R323 PolarHBondContact N-O 2.85Å; D318-R323 PolarHBondContact O-N 3.15Å; D318-R323 VanDerWaalsContact O-N 3.12Å
319E86.5Confident91.7Very high4 Ų431.8 Ų31.82%0.01917%0.167CC..THydrogen-bonded Turntrans-63.9-33.2-177.3-68.9-71.5-17800111.2L135 P136 L137 S138 L304 I317 K321 R322 A428L135-E319 HydrophobicContact CB-CG 4.46Å; L135-E319 WeakPolarHBondContact CB-OE1 3.34Å; L135-E319 HydrophobicContact CD1-CG 4.32Å; L135-E319 HydrophobicContact CD2-CG 4.2Å; P136-E319 WeakPolarHBondContact CD-OE2 3.4Å; L137-E319 WeakPolarHBondContact CB-OE1 3.13Å; L137-E319 PolarHBondContact N-OE1 3.27Å; L137-E319 PolarHBondContact N-OE2 3.22Å; S138-E319 PolarHBondContact N-OE1 2.98Å; S138-E319 PolarHBondContact OG-OE1 3.37Å; L304-E319 HydrophobicContact CD2-CG 4.45Å; L304-E319 PolarHBondContact O-N 2.77Å; I317-E319 HydrophobicContact CG2-CG 3.83Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 3Å; E319-R322 PolarHBondContact O-N 3.45Å; E319-A428 HydrophobicContact CB-CB 3.71Å
320G80.3Confident90.6Very high37 Ų3739.5 Ų39.538%0.38120%0.2SC..THydrogen-bonded Turntrans-67.1-32.6177.200000112.9D318D318-G320 PolarHBondContact O-N 2.96Å; D318-G320 PolarHBondContact OD1-N 3.21Å
321K84.1Confident88.8Confident102 Ų10243 Ų4344%0.44323%0.229SC..THydrogen-bonded Turntrans-94.71.9174.9-63.8-176-162.2132.10114D318 E319 R323D318-K321 HydrophobicContact CB-CB 4.15Å; D318-K321 CarbonylContact O-C 3.54Å; D318-K321 PolarHBondContact O-N 3.48Å; D318-K321 PolarHBondContact OD1-N 3.45Å; D318-K321 WeakPolarHBondContact OD2-CD 3.41Å; D318-K321 WeakPolarHBondContact OD2-CE 3.31Å; D318-K321 WeakPolarHBondContact OD2-CG 3.04Å; D318-K321 IonicContact OD2-NZ 3.75Å; D318-K321 PolarHBondContact OD2-NZ 3.02Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 3Å; K321-R323 HydrophobicContact CB-CB 4.28Å; K321-R323 PolarHBondContact O-N 3.38Å
322R85.3Confident86.8Confident28 Ų2845.7 Ų45.711%0.10624%0.243CC..THydrogen-bonded Turntrans48.642.5-175.3-59.5-176.965.182.9-7.7112.3D318 E319 L406 P407 E431D318-R322 PolarHBondContact O-N 2.88Å; E319-R322 PolarHBondContact O-N 3.45Å; R322-L406 HydrophobicContact CB-CB 4.4Å; R322-L406 PolarHBondContact NE-O 2.8Å; R322-L406 VanDerWaalsContact NE-O 3.08Å; R322-L406 VanDerWaalsContact NH2-CD2 3.33Å; R322-L406 PolarHBondContact O-N 3.28Å; R322-P407 PolarHBondContact NH2-O 3.44Å; R322-E431 IonicContact CZ-OE1 3.47Å; R322-E431 IonicContact CZ-OE2 3.74Å; R322-E431 IonicContact NH1-OE1 2.92Å; R322-E431 PolarHBondContact NH1-OE1 2.84Å; R322-E431 IonicContact NH1-OE2 3.72Å; R322-E431 PolarHBondContact NH1-OE2 2.84Å; R322-E431 IonicContact NH2-OE2 3.98Å
323R89.9Confident84.2Confident64 Ų6447.8 Ų47.824%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-124.8133.2-175.2-174.5-179.369.1169.85.7111.2L137 D318 K321 I403 V404L137-R323 WeakPolarHBondContact CD1-O 3.4Å; D318-R323 PolarHBondContact N-O 2.85Å; D318-R323 PolarHBondContact O-N 3.15Å; D318-R323 VanDerWaalsContact O-N 3.12Å; K321-R323 HydrophobicContact CB-CB 4.28Å; K321-R323 PolarHBondContact O-N 3.38Å; R323-I403 VanDerWaalsContact CD-CG2 3.43Å; R323-I403 HydrophobicContact CG-CG2 3.46Å; R323-I403 VanDerWaalsContact CG-CG2 3.46Å; R323-V404 WeakPolarHBondContact CA-O 3.04Å
324I92.9Very high81.4Confident0 Ų052.9 Ų52.90%030%0.296CS..EExtended strand (participates in β ladder)trans-119.6132.7166.9-173.6169.9000109.4L137 L141 L163 W167 F315 L316 I317 V404L137-I324 HydrophobicContact CD2-CB 4.26Å; L137-I324 HydrophobicContact CD2-CG2 4.18Å; L141-I324 HydrophobicContact CB-CD1 4.13Å; L141-I324 HydrophobicContact CD1-CD1 4.33Å; L163-I324 HydrophobicContact CD1-CD1 3.79Å; L163-I324 HydrophobicContact CD2-CD1 4.43Å; L163-I324 HydrophobicContact CD2-CG2 3.82Å; W167-I324 HydrophobicContact CH2-CG2 4.44Å; W167-I324 HydrophobicContact CZ3-CD1 4.48Å; W167-I324 HydrophobicContact CZ3-CG1 4.2Å; W167-I324 HydrophobicContact CZ3-CG2 4.09Å; F315-I324 HydrophobicContact CD1-CD1 4.25Å; F315-I324 HydrophobicContact CD1-CG1 4.39Å; L316-I324 CarbonylContact O-C 3.55Å; L316-I324 WeakPolarHBondContact O-CA 3.46Å; I317-I324 HydrophobicContact CD1-CD1 4.19Å; I317-I324 HydrophobicContact CG1-CB 4.34Å; I317-I324 HydrophobicContact CG1-CD1 3.81Å; I317-I324 HydrophobicContact CG1-CG1 3.81Å; I324-V404 HydrophobicContact CG2-CB 3.88Å; I324-V404 HydrophobicContact CG2-CG1 4.16Å; I324-V404 PolarHBondContact N-O 2.86Å; I324-V404 PolarHBondContact O-N 3.13Å
325S95Very high78.3Confident6 Ų661.5 Ų61.54%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-118.9146.6-178.2-61.60000110.3F315 L316 E402F315-S325 CarbonylContact C-O 3.48Å; F315-S325 VanDerWaalsContact CA-O 3.27Å; F315-S325 WeakPolarHBondContact CA-O 3.39Å; L316-S325 PolarHBondContact N-O 3.49Å; L316-S325 PolarHBondContact O-N 2.92Å; S325-E402 CarbonylContact C-O 3.56Å; S325-E402 VanDerWaalsContact CA-O 3.22Å; S325-E402 WeakPolarHBondContact CA-O 2.91Å
326W95.3Very high75.1Confident7 Ų767.5 Ų67.53%0.02737%0.373CS..EExtended strand (participates in β ladder)trans-125.8124.9176171.7-113.7000110.4W167 L168 L169 G313 S314 F315 T401 E402W167-W326 HydrophobicContact CB-CD2 4.18Å; W167-W326 HydrophobicContact CB-CG 4.12Å; W167-W326 AromaticContact CD1-CD1 3.2Å; W167-W326 AromaticContact CD1-CG 3.61Å; W167-W326 AromaticContact CD1-NE1 3.81Å; W167-W326 HydrophobicContact CD2-CB 3.38Å; W167-W326 AromaticContact CD2-CG 3.72Å; W167-W326 HydrophobicContact CD2-CG 3.72Å; W167-W326 AromaticContact CE2-CD1 3.94Å; W167-W326 AromaticContact CE2-CG 3.8Å; W167-W326 HydrophobicContact CE3-CB 3.79Å; W167-W326 HydrophobicContact CE3-CG 4.44Å; W167-W326 HydrophobicContact CG-CB 3.84Å; W167-W326 AromaticContact CG-CD1 3.65Å; W167-W326 HydrophobicContact CG-CD2 4.16Å; W167-W326 AromaticContact CG-CG 3.58Å; W167-W326 HydrophobicContact CG-CG 3.58Å; W167-W326 HydrophobicContact CH2-CB 3.82Å; W167-W326 HydrophobicContact CZ2-CB 3.52Å; W167-W326 HydrophobicContact CZ2-CG 4.49Å; W167-W326 HydrophobicContact CZ3-CB 3.96Å; W167-W326 AromaticContact NE1-CD1 3.43Å; W167-W326 AromaticContact NE1-CG 3.76Å; L168-W326 WeakPolarHBondContact O-CH2 3.34Å; L168-W326 WeakPolarHBondContact O-CZ2 3.34Å; L169-W326 HydrophobicContact CD1-CZ3 4.33Å; G313-W326 VanDerWaalsContact C-CZ3 3.45Å; S314-W326 VanDerWaalsContact N-CZ3 3.34Å; S314-W326 WeakPolarHBondContact O-CA 3Å; F315-W326 HydrophobicContact CD1-CB 4.27Å; F315-W326 HydrophobicContact CD1-CD2 4.39Å; F315-W326 AromaticContact CD1-CE3 3.55Å; F315-W326 HydrophobicContact CD1-CE3 3.55Å; F315-W326 HydrophobicContact CD1-CZ3 4.28Å; F315-W326 HydrophobicContact CD2-CE3 4.03Å; F315-W326 AromaticContact CD2-CZ3 3.92Å; F315-W326 HydrophobicContact CD2-CZ3 3.92Å; F315-W326 HydrophobicContact CE1-CB 4.07Å; F315-W326 AromaticContact CE1-CD2 3.87Å; F315-W326 HydrophobicContact CE1-CD2 3.87Å; F315-W326 AromaticContact CE1-CE3 3.26Å; F315-W326 HydrophobicContact CE1-CE3 3.26Å; F315-W326 HydrophobicContact CE1-CG 4.22Å; F315-W326 AromaticContact CE1-CZ3 3.97Å; F315-W326 HydrophobicContact CE1-CZ3 3.97Å; F315-W326 AromaticContact CE2-CE3 3.81Å; F315-W326 HydrophobicContact CE2-CE3 3.81Å; F315-W326 AromaticContact CE2-CZ3 3.62Å; F315-W326 HydrophobicContact CE2-CZ3 3.62Å; F315-W326 AromaticContact CG-CE3 3.91Å; F315-W326 HydrophobicContact CG-CE3 3.91Å; F315-W326 HydrophobicContact CG-CZ3 4.25Å; F315-W326 HydrophobicContact CZ-CD2 4.17Å; F315-W326 AromaticContact CZ-CE3 3.43Å; F315-W326 HydrophobicContact CZ-CE3 3.43Å; F315-W326 VanDerWaalsContact CZ-CE3 3.43Å; F315-W326 AromaticContact CZ-CZ3 3.66Å; F315-W326 HydrophobicContact CZ-CZ3 3.66Å; W326-T401 WeakPolarHBondContact O-CA 3.39Å; W326-E402 PolarHBondContact N-O 2.81Å; W326-E402 PolarHBondContact O-N 3.28Å
327T94.9Very high71.8Confident52 Ų5267 Ų6732%0.31939%0.385SS..EExtended strand (participates in β ladder)trans-121.2113.3175.8-51.60000109.1G313 S314 I400 T401G313-T327 CarbonylContact C-O 3.58Å; G313-T327 WeakPolarHBondContact CA-O 3.25Å; S314-T327 PolarHBondContact N-O 3.32Å; S314-T327 PolarHBondContact O-N 2.94Å; T327-I400 HydrophobicContact CG2-CG2 4.18Å; T327-T401 WeakPolarHBondContact OG1-CG2 3.34Å; T327-T401 PolarHBondContact OG1-OG1 2.96Å; T327-T401 VanDerWaalsContact OG1-OG1 3.1Å
328P93.4Very high68.6Low18 Ų1876.4 Ų76.412%0.11743%0.425CS..EExtended strand (participates in β ladder)trans-71.3141.9176.730.2-34.6000111.2V332 I400P328-V332 HydrophobicContact CB-CG2 4.38Å; P328-V332 HydrophobicContact CG-CG2 4.27Å; P328-I400 WeakPolarHBondContact CD-O 3.4Å; P328-I400 HydrophobicContact CG-CG2 4.34Å
329R86.9Confident65.7Low127 Ų12784.3 Ų84.348%0.47947%0.467SS..SBendtrans-70.5-33178.1-88.4-170.7176.2-170.22.3113.8E173 G310 T312E173-R329 IonicContact OE1-CZ 3.06Å; E173-R329 IonicContact OE1-NH1 2.68Å; E173-R329 PolarHBondContact OE1-NH1 3Å; E173-R329 IonicContact OE1-NH2 3.48Å; E173-R329 IonicContact OE2-CZ 2.94Å; E173-R329 IonicContact OE2-NH1 2.62Å; E173-R329 PolarHBondContact OE2-NH1 2.72Å; E173-R329 IonicContact OE2-NH2 3.09Å; E173-R329 PolarHBondContact OE2-NH2 2.89Å; G310-R329 WeakPolarHBondContact O-CD 3.43Å; G310-R329 VanDerWaalsContact O-CZ 3.26Å; G310-R329 PolarHBondContact O-NE 2.76Å; G310-R329 VanDerWaalsContact O-NE 3.09Å; T312-R329 PolarHBondContact O-N 2.91Å
330K73.7Confident62.9Low184 Ų18490.8 Ų90.880%0.850%0.502SS*.SBendtrans-107.3119.3170.4-68.5-177.8-179.61790105.8V332K330-V332 PolarHBondContact O-N 3.31Å
331A55.3Low60.4Low74 Ų7496.5 Ų96.561%0.61252%0.523SS*.  trans-48.7118.6175.100000108.3S333A331-S333 PolarHBondContact O-N 2.86Å
332V47.2Very low57.8Low105 Ų105100.7 Ų100.764%0.63654%0.541SS*.  trans-60112.6166.4-177.10000103.4P328 K330 S334P328-V332 HydrophobicContact CB-CG2 4.38Å; P328-V332 HydrophobicContact CG-CG2 4.27Å; K330-V332 PolarHBondContact O-N 3.31Å; V332-S334 VanDerWaalsContact C-N 3.25Å; V332-S334 PolarHBondContact O-N 3.46Å
333S37.3Very low55Low108 Ų108105.4 Ų105.476%0.75558%0.579SS**  trans-61.693.9-177.2620000108.2A331 K335A331-S333 PolarHBondContact O-N 2.86Å; S333-K335 VanDerWaalsContact C-N 3.25Å; S333-K335 PolarHBondContact O-N 3.45Å
334S36.5Very low52.1Low106 Ų106107 Ų10774%0.74161%0.605SS**  trans-7588.1171.949.90000106.4V332 S336V332-S334 VanDerWaalsContact C-N 3.25Å; V332-S334 PolarHBondContact O-N 3.46Å; S334-S336 PolarHBondContact O-N 3.43Å; S334-S336 VanDerWaalsContact O-N 3.08Å
335K30.4Very low49Very low197 Ų197116.3 Ų116.386%0.85765%0.648SS**  trans-58.4113.1148-82.5-176.5176.9177.70105.2S333 G337S333-K335 VanDerWaalsContact C-N 3.25Å; S333-K335 PolarHBondContact O-N 3.45Å; K335-G337 VanDerWaalsContact C-N 3.29Å; K335-G337 PolarHBondContact O-N 2.96Å
336S29Very low45.7Very low127 Ų127120.3 Ų120.389%0.88868%0.676SS**  trans-50.594.4169.859.20000109.4S334S334-S336 PolarHBondContact O-N 3.43Å; S334-S336 VanDerWaalsContact O-N 3.08Å
337G28.2Very low42.4Very low57 Ų57126.2 Ų126.259%0.58871%0.709SS**  trans-125.8107.5175.800000107K335 L339K335-G337 VanDerWaalsContact C-N 3.29Å; K335-G337 PolarHBondContact O-N 2.96Å; G337-L339 PolarHBondContact O-N 2.86Å
338K27.9Very low39.2Very low198 Ų198134.9 Ų134.986%0.86174%0.737SS**  trans-41.5113.2171.7-74.2174.7174177.80109.6N340K338-N340 PolarHBondContact O-N 3.37Å
339L30.6Very low36Very low170 Ų170142 Ų14289%0.8977%0.769SS**  trans-71.185169.8-128.4110.7000107.4G337G337-L339 PolarHBondContact O-N 2.86Å
340N27.3Very low33.1Very low140 Ų140142.2 Ų142.275%0.74978%0.78SS**  trans-77120.6162.4-95.5-13.1000107.6K338 K342K338-N340 PolarHBondContact O-N 3.37Å; N340-K342 PolarHBondContact O-N 3.14Å
341N27.1Very low30.9Very low157 Ų157142.4 Ų142.484%0.8478%0.783SS**  trans-49.897.1164.9-77.9-23.4000110.8
342K28.9Very low29.7Very low189 Ų189147 Ų14782%0.82279%0.79SS**  trans-139.3115.4155.4-79.3-167.3176.7179.30109.4N340 A344N340-K342 PolarHBondContact O-N 3.14Å; K342-A344 PolarHBondContact O-N 3.07Å
343S27Very low28.9Very low128 Ų128148.2 Ų148.290%0.89579%0.788SS**  trans-32.1113.7160.449.20000112.6
344A29Very low28.5Very low96 Ų96148.9 Ų148.979%0.79378%0.783SS**  trans-120.895.116300000108K342 S346K342-A344 PolarHBondContact O-N 3.07Å; A344-S346 PolarHBondContact O-N 3.46Å
345H27.2Very low28.3Very low196 Ų196153.8 Ų153.891%0.90779%0.791SS**  trans-62.8106.3146.8-99.1-35.6000107.1
346S26.1Very low28.4Very low90 Ų90154.9 Ų154.963%0.62979%0.79SS**  170.8144.312486.70000110.4A344A344-S346 PolarHBondContact O-N 3.46Å
347D26.3Very low28.3Very low132 Ų132157.4 Ų157.471%0.70679%0.792SS**  trans68.769.6151.4-44.5-30.1000119
348Y28.2Very low28.3Very low234 Ų234158.2 Ų158.292%0.91880%0.8SS**  trans-130.270.5142-88.5-84.3000109.2
349E26Very low28.2Very low167 Ų167156.8 Ų156.878%0.7880%0.802SS**  trans-71.9131.5156.9-79.1-172153.400109.4
350N26.7Very low28.1Very low132 Ų132156.8 Ų156.871%0.70680%0.8SS**  trans58.677.6148.5-60.8-29.4000119
351H26.5Very low28.2Very low188 Ų188158.4 Ų158.487%0.8780%0.803SS**  trans-12771.2145.1-75.9-29.6000111.1
352F30.6Very low28Very low171 Ų171159.4 Ų159.475%0.7580%0.803SS**  trans-119.2123.1160.6-85.8-82.2000109.3
353H30.4Very low28Very low130 Ų130161.4 Ų161.460%0.60281%0.807SS**SBendtrans63.7132.6162.9-64.2-57.2000121.8K148K148-H353 WeakPolarHBondContact CE-NE2 3.18Å; K148-H353 PolarHBondContact NZ-CD2 3.1Å; K148-H353 PolarHBondContact NZ-CE1 2.75Å; K148-H353 PolarHBondContact NZ-NE2 2.63Å
354D29.3Very low27.9Very low122 Ų122163.5 Ų163.565%0.65280%0.802SS**  trans82.898.2146.3-128.6-0.8000117.9
355K31.9Very low27.8Very low209 Ų209167.5 Ų167.591%0.90981%0.809SS**  trans-119.892.1144.6-82.5-170.6176.8-178.30108.3
356R32.7Very low27.8Very low219 Ų219164.9 Ų164.983%0.82680%0.797SS**  trans-53.6134157.1-75.5178.3175.1-176.3-5.1109.6
357L26.8Very low27.8Very low181 Ų181168.5 Ų168.595%0.94880%0.802SS**  trans-82.1132.2157.7-124103.2000107.5
358G28.8Very low27.8Very low73 Ų73170.2 Ų170.275%0.75381%0.805SS**  trans158.882.3167.300000113.8M360G358-M360 PolarHBondContact O-N 3.05Å
359N24.4Very low27.7Very low169 Ų169170 Ų17090%0.90480%0.804SS**  trans-65.1116.2153.9-70.9-16.1000107.9
360M28.7Very low27.8Very low169 Ų169168.4 Ų168.483%0.83380%0.8SS**  trans-172.1108.4141.9-111.1-174175.300110G358G358-M360 PolarHBondContact O-N 3.05Å
361E28.7Very low27.7Very low174 Ų174170.2 Ų170.281%0.81380%0.804SS**  trans53.1114.6141.4-63.2177.5-179.200120.8
362E24Very low27.6Very low179 Ų179168.3 Ų168.384%0.83680%0.801SS**  trans-6.6127147.6-68.2171149.400116.9
363Y28.7Very low27.4Very low231 Ų231165.4 Ų165.491%0.90680%0.796SS**  -158.5139.2124-102.7-73.9000110.4
364E24.2Very low27.1Very low171 Ų171168.1 Ų168.180%0.79981%0.814SS**  trans-64.1139-173.9-59.4168.5139.200113.5
365L28.3Very low27.1Very low181 Ų181166.6 Ų166.695%0.94882%0.819SS**  trans-145.4103.1140.2-141.590.1000109.4
366E25.9Very low26.7Very low140 Ų140162 Ų16265%0.65481%0.813SS**  trans-68.8155.2170.4-82.4-168.8144.500112.8
367K26.5Very low27Very low166 Ų166156.5 Ų156.572%0.72281%0.806SS**  trans70.9116.2149.1-73.1160-177146.90118
368E27.1Very low26.9Very low168 Ų168155.9 Ų155.979%0.78580%0.803SS**  157.3110.386.9-151.5165.2-149.500109.5
369Y25.5Very low26.7Very low229 Ų229156.4 Ų156.490%0.89881%0.809SS**  trans-175.2121130.9-115.5-88.1000109.6
370I27.7Very low26.8Very low135 Ų135153.1 Ų153.169%0.69280%0.799SS**  trans-107.1149.5-168.7-78.3176.6000109.8
371E24.3Very low26.7Very low169 Ų169153.1 Ų153.179%0.7980%0.803SS**  trans57.5122.7154.3-73.4161.4171.500122.4
372D24.8Very low26.6Very low149 Ų149149.7 Ų149.780%0.79779%0.793SS**  168.6136.3109.3-96.8-10.9000107.6
373V26.9Very low26.7Very low109 Ų109146.2 Ų146.266%0.66179%0.786SS**  cis-162.8134.410.9146.20000106.3A375V373-A375 HydrophobicContact CG1-CB 3.9Å
374L24.9Very low26.6Very low187 Ų187146.7 Ų146.798%0.97979%0.787SS**  trans-88.5114154.8-85.3164.5000107.8
375A29.1Very low26.9Very low91 Ų91144.6 Ų144.675%0.75279%0.786SS**  trans-149.7131.1159.400000110.6V373V373-A375 HydrophobicContact CG1-CB 3.9Å
376S23.6Very low27.3Very low112 Ų112143 Ų14378%0.78377%0.773SS**  trans-83.2-160-174.8-157.30000111.7
377P38.9Very low27.6Very low104 Ų104142.4 Ų142.468%0.67578%0.779SS**  -106.6-174.6-88.133.1-14.7000113.1
378N24.3Very low28.7Very low167 Ų167137.4 Ų137.489%0.89376%0.763SS**  trans87.8115.9174.6-68.7-19000117.6
379G25.2Very low29.6Very low84 Ų84134.6 Ų134.687%0.86676%0.758SS**  trans92.971.5152.600000115.4
380S26.6Very low30.9Very low100 Ų100131.1 Ų131.170%0.69975%0.752SS**  trans-142.4126.6150.174.20000110.7V382S380-V382 PolarHBondContact O-N 3.36Å
381N26.2Very low32.7Very low170 Ų170125.8 Ų125.891%0.90972%0.724SS**  trans-63.882167.4-73.1-40.9000108.3P383N381-P383 WeakPolarHBondContact O-CD 3.34Å
382V26.4Very low34.7Very low102 Ų102124.3 Ų124.362%0.61872%0.722SS**  trans-67119.1162.9-177.90000105.6S380 R384S380-V382 PolarHBondContact O-N 3.36Å; V382-R384 PolarHBondContact O-N 2.75Å; V382-R384 VanDerWaalsContact O-N 3.09Å
383P25.8Very low37Very low106 Ų106120.5 Ų120.569%0.68870%0.701SS**  trans-57.1124.8173.624.3-29.8000106.1N381 T385N381-P383 WeakPolarHBondContact O-CD 3.34Å; P383-T385 VanDerWaalsContact C-N 3.32Å; P383-T385 PolarHBondContact O-N 3.08Å
384R26.7Very low39.6Very low241 Ų241119.3 Ų119.391%0.90969%0.691SS**  trans-43.9102.5173.4-85.8178.8174.7158.9-2107.3V382 Q386V382-R384 PolarHBondContact O-N 2.75Å; V382-R384 VanDerWaalsContact O-N 3.09Å; R384-Q386 VanDerWaalsContact C-N 3.34Å; R384-Q386 PolarHBondContact O-N 2.77Å
385T31.5Very low41.9Very low127 Ų127115.8 Ų115.878%0.77967%0.672SS**  trans-58.5107166.326.40000104.6P383 V387P383-T385 VanDerWaalsContact C-N 3.32Å; P383-T385 PolarHBondContact O-N 3.08Å; T385-V387 PolarHBondContact O-N 2.76Å; T385-V387 VanDerWaalsContact O-N 3.13Å
386Q34.7Very low44.3Very low148 Ų148113.5 Ų113.569%0.69265%0.648SS**PPolyproline II helixtrans-49.3123173.5-73.7175.2-20.500107R384 P388R384-Q386 VanDerWaalsContact C-N 3.34Å; R384-Q386 PolarHBondContact O-N 2.77Å; Q386-P388 WeakPolarHBondContact O-CD 3.33Å; Q386-P388 VanDerWaalsContact O-N 3.15Å
387V33.9Very low46.5Very low127 Ų127117.9 Ų117.977%0.7766%0.655SS**PPolyproline II helixtrans-55.2120.8169.8178.40000105.7T385 T389T385-V387 PolarHBondContact O-N 2.76Å; T385-V387 VanDerWaalsContact O-N 3.13Å; V387-T389 PolarHBondContact O-N 3.37Å; V387-T389 VanDerWaalsContact O-N 3.12Å
388P48.4Very low48.1Very low61 Ų61119.1 Ų119.140%0.39666%0.657SS.*PPolyproline II helixtrans-55.4123.5179.4-22.231.3000108.5R162 Q386 M390R162-P388 HydrophobicContact CG-CB 4.47Å; Q386-P388 WeakPolarHBondContact O-CD 3.33Å; Q386-P388 VanDerWaalsContact O-N 3.15Å; P388-M390 PolarHBondContact O-N 3.17Å
389T47.4Very low50.7Low109 Ų109113.2 Ų113.267%0.66964%0.635SS**  trans-58.9115175.3-46.70000107.8V387 L391V387-T389 PolarHBondContact O-N 3.37Å; V387-T389 VanDerWaalsContact O-N 3.12Å; T389-L391 PolarHBondContact O-N 3.3Å
390M52.1Low53.5Low156 Ų156113.2 Ų113.277%0.76861%0.614SS**PPolyproline II helixtrans-63.9124.7173.7-115.9-172.6159.700107.9P388P388-M390 PolarHBondContact O-N 3.17Å
391L64.7Low56.5Low22 Ų22109.3 Ų109.312%0.11559%0.586CS.*PPolyproline II helixtrans-68.8140.6174.9-74.8168.9000109.3L140 T161 T389 I393 V404 L406L140-L391 HydrophobicContact CD2-CD1 4.5Å; T161-L391 HydrophobicContact CG2-CD1 4.04Å; T161-L391 HydrophobicContact CG2-CD2 3.89Å; T161-L391 HydrophobicContact CG2-CG 3.84Å; T389-L391 PolarHBondContact O-N 3.3Å; L391-I393 PolarHBondContact O-N 3.3Å; L391-V404 HydrophobicContact CB-CG1 3.72Å; L391-V404 HydrophobicContact CD1-CG1 3.4Å; L391-V404 VanDerWaalsContact CD1-CG1 3.4Å; L391-V404 HydrophobicContact CG-CG1 4.08Å; L391-L406 HydrophobicContact CD1-CD1 4.35Å
392N67.2Low59.7Low138 Ų138102.9 Ų102.974%0.73855%0.551SS**PPolyproline II helixtrans-62.2131.7171.2-73.9-18.4000108.9
393I73.6Confident62.8Low69 Ų6998.8 Ų98.835%0.35453%0.525SS..EExtended strand (participates in β ladder)trans-106.4116.5177.8-53.3169.8000107P164 L391 E402 I403 V404P164-I393 HydrophobicContact CB-CD1 4.07Å; P164-I393 HydrophobicContact CG-CD1 3.43Å; P164-I393 VanDerWaalsContact CG-CD1 3.43Å; P164-I393 HydrophobicContact CG-CG1 3.98Å; L391-I393 PolarHBondContact O-N 3.3Å; I393-E402 HydrophobicContact CG2-CB 3.8Å; I393-E402 HydrophobicContact CG2-CG 4.08Å; I393-I403 CarbonylContact C-O 3.58Å; I393-I403 WeakPolarHBondContact CA-O 3.35Å; I393-V404 HydrophobicContact CG1-CG2 4.07Å
394D79.8Confident65.8Low85 Ų8593.8 Ų93.846%0.45549%0.493SS..EExtended strand (participates in β ladder)trans-91.2157.5167.9-62.2-40.8000109.2E402 I403 H405D394-E402 CarbonylContact O-C 3.59Å; D394-I403 HydrophobicContact CB-CB 4.29Å; D394-I403 PolarHBondContact N-O 3.3Å; D394-I403 PolarHBondContact O-N 2.81Å; D394-H405 IonicContact OD2-CD2 2.75Å; D394-H405 PolarHBondContact OD2-CD2 2.82Å
395L73.8Confident68.6Low112 Ų11286.4 Ų86.459%0.58647%0.468SS*.EExtended strand (participates in β ladder)trans-107.5143.4170-70.4167.5000108.6T401 E402L395-T401 WeakPolarHBondContact CA-O 3.45Å; L395-E402 HydrophobicContact CD2-CG 3.69Å
396D80.6Confident70.9Confident44 Ų4481.1 Ų81.124%0.23544%0.435CS..  trans-69.8177170.788.3-8.3000112.3D398 G399 T401 I403D396-D398 PolarHBondContact O-N 3.41Å; D396-D398 WeakPolarHBondContact OD1-CA 3.41Å; D396-D398 WeakPolarHBondContact OD1-CB 3.42Å; D396-D398 PolarHBondContact OD1-N 3.06Å; D396-G399 PolarHBondContact O-N 3.03Å; D396-G399 PolarHBondContact OD1-N 3.31Å; D396-T401 VanDerWaalsContact CG-CB 3.44Å; D396-T401 PolarHBondContact N-O 3.34Å; D396-T401 WeakPolarHBondContact OD2-CB 3.47Å; D396-T401 PolarHBondContact OD2-OG1 3.43Å; D396-I403 HydrophobicContact CB-CD1 3.84Å; D396-I403 HydrophobicContact CB-CG1 4.5Å
397E69.7Low72.6Confident203 Ų20378.1 Ų78.195%0.94943%0.428SS*.THydrogen-bonded Turntrans-61.1-29.4-178.5-63.3-175.7171.300113.5G399E397-G399 VanDerWaalsContact C-N 3.31Å
398D72.4Confident74.1Confident131 Ų13176.4 Ų76.470%0.70141%0.414SS*.THydrogen-bonded Turntrans-83.5-10.5179-66.1-29.5000112.1D396 I400D396-D398 PolarHBondContact O-N 3.41Å; D396-D398 WeakPolarHBondContact OD1-CA 3.41Å; D396-D398 WeakPolarHBondContact OD1-CB 3.42Å; D396-D398 PolarHBondContact OD1-N 3.06Å; D398-I400 PolarHBondContact O-N 3.12Å
399G77.2Confident74.5Confident42 Ų4277.4 Ų77.443%0.43341%0.413SS..SBendtrans68.69.3179.100000114.3D396 E397D396-G399 PolarHBondContact O-N 3.03Å; D396-G399 PolarHBondContact OD1-N 3.31Å; E397-G399 VanDerWaalsContact C-N 3.31Å
400I84.6Confident73.9Confident84 Ų8478.8 Ų78.843%0.43142%0.416SS..SBendtrans-101.6-38.3-180-59.7171.8000110.5T327 P328 D398T327-I400 HydrophobicContact CG2-CG2 4.18Å; P328-I400 WeakPolarHBondContact CD-O 3.4Å; P328-I400 HydrophobicContact CG-CG2 4.34Å; D398-I400 PolarHBondContact O-N 3.12Å
401T90.2Very high73.1Confident19 Ų1975.6 Ų75.612%0.11741%0.409CS..  trans-88123.3-177.7-510000109.7W326 T327 L395 D396 I403W326-T401 WeakPolarHBondContact O-CA 3.39Å; T327-T401 WeakPolarHBondContact OG1-CG2 3.34Å; T327-T401 PolarHBondContact OG1-OG1 2.96Å; T327-T401 VanDerWaalsContact OG1-OG1 3.1Å; L395-T401 WeakPolarHBondContact CA-O 3.45Å; D396-T401 VanDerWaalsContact CG-CB 3.44Å; D396-T401 PolarHBondContact N-O 3.34Å; D396-T401 WeakPolarHBondContact OD2-CB 3.47Å; D396-T401 PolarHBondContact OD2-OG1 3.43Å; T401-I403 HydrophobicContact CG2-CG1 4.27Å
402E92.2Very high71.9Confident35 Ų3581 Ų8116%0.16444%0.437CS..EExtended strand (participates in β ladder)trans-87.1139.7169.8-68.6176.5-148.100109.5H166 W167 S325 W326 I393 D394 L395H166-E402 IonicContact CD2-OE1 3.13Å; H166-E402 IonicContact CE1-OE1 3.65Å; H166-E402 IonicContact CE1-OE2 3.49Å; H166-E402 PolarHBondContact CE1-OE2 3.41Å; H166-E402 IonicContact NE2-OE1 3.43Å; H166-E402 PolarHBondContact NE2-OE1 3.03Å; H166-E402 IonicContact NE2-OE2 3.7Å; H166-E402 PolarHBondContact NE2-OE2 2.85Å; W167-E402 HydrophobicContact CZ2-CB 3.65Å; W167-E402 PolarHBondContact NE1-OE2 2.9Å; S325-E402 CarbonylContact C-O 3.56Å; S325-E402 VanDerWaalsContact CA-O 3.22Å; S325-E402 WeakPolarHBondContact CA-O 2.91Å; W326-E402 PolarHBondContact N-O 2.81Å; W326-E402 PolarHBondContact O-N 3.28Å; I393-E402 HydrophobicContact CG2-CB 3.8Å; I393-E402 HydrophobicContact CG2-CG 4.08Å; D394-E402 CarbonylContact O-C 3.59Å; L395-E402 HydrophobicContact CD2-CG 3.69Å
403I91.5Very high69.9Low16 Ų1680.4 Ų80.48%0.08243%0.434CS..EExtended strand (participates in β ladder)trans-127.4129.8-173.5-59-175.6000108.7R323 I393 D394 D396 T401 H405R323-I403 VanDerWaalsContact CD-CG2 3.43Å; R323-I403 HydrophobicContact CG-CG2 3.46Å; R323-I403 VanDerWaalsContact CG-CG2 3.46Å; I393-I403 CarbonylContact C-O 3.58Å; I393-I403 WeakPolarHBondContact CA-O 3.35Å; D394-I403 HydrophobicContact CB-CB 4.29Å; D394-I403 PolarHBondContact N-O 3.3Å; D394-I403 PolarHBondContact O-N 2.81Å; D396-I403 HydrophobicContact CB-CD1 3.84Å; D396-I403 HydrophobicContact CB-CG1 4.5Å; T401-I403 HydrophobicContact CG2-CG1 4.27Å; I403-H405 WeakPolarHBondContact CG2-NE2 3.25Å
404V89.2Confident67.8Low1 Ų183.5 Ų83.51%0.00645%0.451CS..EExtended strand (participates in β ladder)trans-118.5126.5173.3167.80000108.9P164 W167 R323 I324 L391 I393P164-V404 HydrophobicContact CG-CG2 4.49Å; W167-V404 HydrophobicContact CH2-CB 4Å; W167-V404 HydrophobicContact CH2-CG2 3.6Å; W167-V404 HydrophobicContact CZ2-CG2 3.9Å; W167-V404 HydrophobicContact CZ3-CG2 4.38Å; R323-V404 WeakPolarHBondContact CA-O 3.04Å; I324-V404 HydrophobicContact CG2-CB 3.88Å; I324-V404 HydrophobicContact CG2-CG1 4.16Å; I324-V404 PolarHBondContact N-O 2.86Å; I324-V404 PolarHBondContact O-N 3.13Å; L391-V404 HydrophobicContact CB-CG1 3.72Å; L391-V404 HydrophobicContact CD1-CG1 3.4Å; L391-V404 VanDerWaalsContact CD1-CG1 3.4Å; L391-V404 HydrophobicContact CG-CG1 4.08Å; I393-V404 HydrophobicContact CG1-CG2 4.07Å
405H86.4Confident65.5Low86 Ų8682.7 Ų82.740%0.39845%0.452SS..EExtended strand (participates in β ladder)trans-99.3125.3173.9-74.1-86.2000110D394 I403 P407D394-H405 IonicContact OD2-CD2 2.75Å; D394-H405 PolarHBondContact OD2-CD2 2.82Å; I403-H405 WeakPolarHBondContact CG2-NE2 3.25Å; H405-P407 WeakPolarHBondContact O-CD 3.45Å
406L79.6Confident63.4Low16 Ų1688.3 Ų88.38%0.08447%0.472CS..  trans-84115.7176.5-164.676.9000109P136 L137 L140 R322 L391P136-L406 HydrophobicContact CB-CD2 3.63Å; L137-L406 HydrophobicContact CD2-CB 3.86Å; L137-L406 HydrophobicContact CD2-CD2 4.18Å; L137-L406 HydrophobicContact CD2-CG 4.48Å; L140-L406 HydrophobicContact CD2-CD1 4.31Å; R322-L406 HydrophobicContact CB-CB 4.4Å; R322-L406 PolarHBondContact NE-O 2.8Å; R322-L406 VanDerWaalsContact NE-O 3.08Å; R322-L406 VanDerWaalsContact NH2-CD2 3.33Å; R322-L406 PolarHBondContact O-N 3.28Å; L391-L406 HydrophobicContact CD1-CD1 4.35Å
407P71.2Confident60.9Low84 Ų8490.1 Ų90.155%0.54549%0.488SS..PPolyproline II helixtrans-61148.9-179.524.5-32.2000110.8R322 H405 K409R322-P407 PolarHBondContact NH2-O 3.44Å; H405-P407 WeakPolarHBondContact O-CD 3.45Å; P407-K409 PolarHBondContact O-N 2.78Å
408L64.7Low59.1Low91 Ų9185.4 Ų85.448%0.47647%0.473SS..PPolyproline II helixtrans-68.2121.1165.6-83.1137.8000107.5D410 Y425L408-D410 PolarHBondContact O-N 2.88Å; L408-Y425 HydrophobicContact CD1-CD1 4.29Å; L408-Y425 HydrophobicContact CD1-CE1 4.1Å; L408-Y425 HydrophobicContact CD2-CD1 3.85Å; L408-Y425 HydrophobicContact CD2-CE1 4.26Å
409K56.5Low56.9Low83 Ų8389.1 Ų89.136%0.36149%0.486SS..PPolyproline II helixtrans-73.5116.5167.9-89.6-167.9173.6-166.10107.8N157 E159 P407 S411N157-K409 PolarHBondContact O-NZ 3.38Å; E159-K409 IonicContact OE2-NZ 3.1Å; E159-K409 PolarHBondContact OE2-NZ 2.85Å; P407-K409 PolarHBondContact O-N 2.78Å; K409-S411 PolarHBondContact O-N 2.87Å
410D35.4Very low54.7Low137 Ų13789.6 Ų89.673%0.73348%0.483SS*.  trans-66.211.4167.7-76.1-32.6000113.4L408 L412 N413L408-D410 PolarHBondContact O-N 2.88Å; D410-L412 PolarHBondContact O-N 3.19Å; D410-N413 PolarHBondContact O-N 3.36Å; D410-N413 PolarHBondContact O-ND2 3.04Å
411S35.1Very low52.2Low90 Ų9089.8 Ų89.863%0.62950%0.497SS*.  trans-83.424.8-168.372.20000115.3K409 N413K409-S411 PolarHBondContact O-N 2.87Å; S411-N413 PolarHBondContact O-N 2.9Å
412L38.3Very low49.5Very low134 Ų13497.9 Ų97.970%0.70253%0.533SS*.  trans-90.138.1153.2-101.5146.6000109.9D410 D414 L426D410-L412 PolarHBondContact O-N 3.19Å; L412-D414 PolarHBondContact O-N 3.31Å; L412-L426 HydrophobicContact CD1-CD1 4.26Å
413N26.3Very low46.9Very low126 Ų126102.3 Ų102.367%0.67455%0.554SS**  trans-80.782167.2-82.6-25.7000109D410 S411D410-N413 PolarHBondContact O-N 3.36Å; D410-N413 PolarHBondContact O-ND2 3.04Å; S411-N413 PolarHBondContact O-N 2.9Å
414D29.4Very low44.4Very low135 Ų135109.6 Ų109.672%0.72258%0.58SS**  trans-173.554.2146.1-105.9-9.5000113.7K26 L412K26-D414 PolarHBondContact NZ-O 2.94Å; L412-D414 PolarHBondContact O-N 3.31Å
415S31.6Very low42.4Very low67 Ų67116.8 Ų116.847%0.46961%0.608SS.*  trans-143101.9155.4600000110.1S417S415-S417 PolarHBondContact O-N 3.04Å
416K29.5Very low40.9Very low231 Ų231114.2 Ų114.2100%1.00460%0.597SS**  trans-66.430.7168.7-81.6-174.5173.3179.50113.4
417S27.9Very low40.3Very low82 Ų82113.5 Ų113.557%0.57359%0.594SS**  trans-144.2111.4178.256.90000107.7S415S415-S417 PolarHBondContact O-N 3.04Å
418V31.8Very low40.4Very low103 Ų103109.7 Ų109.762%0.62457%0.57SS**  trans147.289.4155.21730000107.4S420V418-S420 VanDerWaalsContact CG1-OG 3.25Å; V418-S420 WeakPolarHBondContact CG1-OG 3.29Å; V418-S420 PolarHBondContact O-N 3.16Å
419E26.2Very low40.9Very low209 Ų209105.8 Ų105.898%0.97755%0.549SS*.  trans-73.953.1169.8-70.4-177.8142.600111.8
420S31.8Very low41.9Very low53 Ų53101.8 Ų101.837%0.37153%0.532SS..  trans-136.185168.667.30000110V418 Q422V418-S420 VanDerWaalsContact CG1-OG 3.25Å; V418-S420 WeakPolarHBondContact CG1-OG 3.29Å; V418-S420 PolarHBondContact O-N 3.16Å; S420-Q422 PolarHBondContact O-N 2.85Å
421A30.7Very low43.9Very low88 Ų8896.4 Ų96.473%0.72750%0.502SS*.THydrogen-bonded Turntrans-69.213.3-174.300000115.4
422Q34.2Very low46.3Very low188 Ų18892.1 Ų92.188%0.87947%0.472SS*.THydrogen-bonded Turntrans-98-9176.4-83.3169.4-21.200114.3S420S420-Q422 PolarHBondContact O-N 2.85Å
423H37.8Very low48.5Very low128 Ų12886.2 Ų86.259%0.59344%0.441SS*.SBendtrans-103.18.2-175.7-81-68.5000115.6
424R38.9Very low51.2Low169 Ų16981.3 Ų81.364%0.63842%0.416SS*.  trans-89-8.9-167.6-77-169.1-178.2-176.21.6116.6L426R424-L426 PolarHBondContact O-N 2.78Å
425Y46.7Very low53.7Low153 Ų15375.3 Ų75.360%0.638%0.383SS*.  trans-92.593.8175.8-55-68.9000108.7L408 S427L408-Y425 HydrophobicContact CD1-CD1 4.29Å; L408-Y425 HydrophobicContact CD1-CE1 4.1Å; L408-Y425 HydrophobicContact CD2-CD1 3.85Å; L408-Y425 HydrophobicContact CD2-CE1 4.26Å; Y425-S427 PolarHBondContact O-N 3.35Å
426L54.7Low56.4Low31 Ų3172.2 Ų72.216%0.16236%0.361CS..  trans-52134.3167.1-76.3168000108.2Y297 N299 L412 R424 E431 T434Y297-L426 HydrophobicContact CD1-CD2 3.32Å; Y297-L426 HydrophobicContact CE1-CD2 3.29Å; N299-L426 PolarHBondContact ND2-O 2.83Å; L412-L426 HydrophobicContact CD1-CD1 4.26Å; R424-L426 PolarHBondContact O-N 2.78Å; L426-E431 HydrophobicContact CB-CG 3.69Å; L426-E431 HydrophobicContact CD1-CG 4.29Å; L426-T434 HydrophobicContact CD1-CG2 4.43Å
427S68.4Low59.1Low2 Ų261.3 Ų61.31%0.01431%0.314CS..  trans-60.1158.4171.6690000111.4F296 Y297 N299 Y425 T429 G430 E431F296-S427 PolarHBondContact O-OG 3Å; Y297-S427 PolarHBondContact O-N 2.81Å; N299-S427 WeakPolarHBondContact OD1-CA 3.36Å; N299-S427 WeakPolarHBondContact OD1-CB 3.32Å; Y425-S427 PolarHBondContact O-N 3.35Å; S427-T429 PolarHBondContact O-N 2.63Å; S427-T429 VanDerWaalsContact O-N 3.14Å; S427-G430 CarbonylContact O-C 3.53Å; S427-G430 WeakPolarHBondContact O-CA 3.44Å; S427-G430 PolarHBondContact O-N 2.93Å; S427-G430 PolarHBondContact OG-N 3.18Å; S427-E431 PolarHBondContact O-N 2.91Å
428A72.1Confident61.7Low4 Ų458 Ų583%0.03329%0.291CS..Hα-helixtrans-49.4-41.917200000111.3L135 N299 E319 E431 A432L135-A428 HydrophobicContact CD2-CB 3.94Å; L135-A428 VanDerWaalsContact CD2-O 3.31Å; L135-A428 WeakPolarHBondContact CD2-O 3.43Å; N299-A428 PolarHBondContact OD1-N 3.31Å; N299-A428 VanDerWaalsContact OD1-N 3.07Å; E319-A428 HydrophobicContact CB-CB 3.71Å; A428-E431 PolarHBondContact O-N 2.91Å; A428-A432 WeakPolarHBondContact O-CB 3.39Å; A428-A432 PolarHBondContact O-N 2.81Å
429T75.3Confident64Low8 Ų853.5 Ų53.55%0.04927%0.265CS..Hα-helixtrans-64.1-43.2172.6-28.10000112.3L132 F302 S427 E431 A432 W433L132-T429 HydrophobicContact CD2-CG2 4.34Å; F302-T429 WeakPolarHBondContact CD1-OG1 3.25Å; F302-T429 WeakPolarHBondContact CE1-OG1 3.48Å; F302-T429 VanDerWaalsContact CG-OG1 3.26Å; F302-T429 WeakPolarHBondContact CG-OG1 3.45Å; S427-T429 PolarHBondContact O-N 2.63Å; S427-T429 VanDerWaalsContact O-N 3.14Å; T429-E431 VanDerWaalsContact C-N 3.35Å; T429-E431 PolarHBondContact O-N 3.46Å; T429-A432 WeakPolarHBondContact O-CB 3.4Å; T429-A432 PolarHBondContact O-N 2.78Å; T429-W433 PolarHBondContact O-N 2.9Å
430G77.1Confident66.6Low0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-62.8-37.3176.100000113.4F296 S427 T434F296-G430 WeakPolarHBondContact O-CA 3.27Å; F296-G430 PolarHBondContact O-N 2.92Å; S427-G430 CarbonylContact O-C 3.53Å; S427-G430 WeakPolarHBondContact O-CA 3.44Å; S427-G430 PolarHBondContact O-N 2.93Å; S427-G430 PolarHBondContact OG-N 3.18Å; G430-T434 VanDerWaalsContact O-CB 3.26Å; G430-T434 WeakPolarHBondContact O-CB 3.46Å; G430-T434 PolarHBondContact O-N 3.13Å; G430-T434 PolarHBondContact O-OG1 3.32Å
431E78.7Confident68.9Low23 Ų2341.8 Ų41.811%0.10721%0.206CC..Hα-helixtrans-66.6-44.8170.4-75.3-168.8-144.800111.1P136 Y158 R322 L426 S427 A428 T429 W433 T434 N435P136-E431 HydrophobicContact CG-CB 4.35Å; P136-E431 WeakPolarHBondContact CG-OE2 3.03Å; Y158-E431 PolarHBondContact OH-OE2 3.09Å; R322-E431 IonicContact CZ-OE1 3.47Å; R322-E431 IonicContact CZ-OE2 3.74Å; R322-E431 IonicContact NH1-OE1 2.92Å; R322-E431 PolarHBondContact NH1-OE1 2.84Å; R322-E431 IonicContact NH1-OE2 3.72Å; R322-E431 PolarHBondContact NH1-OE2 2.84Å; R322-E431 IonicContact NH2-OE2 3.98Å; L426-E431 HydrophobicContact CB-CG 3.69Å; L426-E431 HydrophobicContact CD1-CG 4.29Å; S427-E431 PolarHBondContact O-N 2.91Å; A428-E431 PolarHBondContact O-N 2.91Å; T429-E431 VanDerWaalsContact C-N 3.35Å; T429-E431 PolarHBondContact O-N 3.46Å; E431-W433 VanDerWaalsContact C-N 3.33Å; E431-W433 PolarHBondContact O-N 2.86Å; E431-T434 WeakPolarHBondContact O-CB 3.38Å; E431-T434 PolarHBondContact O-N 3.44Å; E431-T434 VanDerWaalsContact O-N 3.14Å; E431-N435 WeakPolarHBondContact O-CB 3.4Å; E431-N435 PolarHBondContact O-N 3.12Å; E431-N435 PolarHBondContact O-ND2 3.29Å
432A84.3Confident71.2Confident0 Ų042.8 Ų42.80%019%0.194CC..Hα-helixtrans-57.8-45.9177.400000111.7P131 L135 A428 T429 N435 W436P131-A432 HydrophobicContact CB-CB 4.48Å; P131-A432 WeakPolarHBondContact O-CB 3.33Å; L135-A432 HydrophobicContact CD2-CB 3.8Å; L135-A432 HydrophobicContact CG-CB 3.9Å; A428-A432 WeakPolarHBondContact O-CB 3.39Å; A428-A432 PolarHBondContact O-N 2.81Å; T429-A432 WeakPolarHBondContact O-CB 3.4Å; T429-A432 PolarHBondContact O-N 2.78Å; A432-N435 PolarHBondContact O-N 2.84Å; A432-W436 WeakPolarHBondContact O-CB 3.46Å; A432-W436 PolarHBondContact O-N 2.88Å
433W84.8Confident72.9Confident10 Ų1037.3 Ų37.34%0.03817%0.171CC..Hα-helixtrans-63.2-44.1172.9-83.6111.6000112.8M21 L107 A129 P131 F296 T429 E431 N435 W436 I437M21-W433 HydrophobicContact CE-CD2 4.16Å; M21-W433 HydrophobicContact CE-CE3 3.68Å; M21-W433 HydrophobicContact CE-CZ3 4.07Å; M21-W433 HydrophobicContact SD-CB 3.56Å; M21-W433 VanDerWaalsContact SD-CB 3.56Å; M21-W433 HydrophobicContact SD-CD2 3.73Å; M21-W433 HydrophobicContact SD-CE3 3.77Å; M21-W433 HydrophobicContact SD-CG 3.67Å; L107-W433 HydrophobicContact CD2-CH2 3.53Å; L107-W433 HydrophobicContact CD2-CZ2 4.49Å; L107-W433 HydrophobicContact CD2-CZ3 3.72Å; L107-W433 HydrophobicContact CG-CH2 3.9Å; L107-W433 HydrophobicContact CG-CZ3 4.29Å; A129-W433 HydrophobicContact CB-CH2 3.88Å; A129-W433 HydrophobicContact CB-CZ3 4.03Å; P131-W433 HydrophobicContact CB-CD2 3.76Å; P131-W433 HydrophobicContact CB-CE3 4.06Å; P131-W433 HydrophobicContact CB-CG 4.09Å; P131-W433 HydrophobicContact CB-CZ2 4.35Å; P131-W433 HydrophobicContact CB-CZ3 4.45Å; P131-W433 HydrophobicContact CG-CD2 3.96Å; P131-W433 HydrophobicContact CG-CE3 4.35Å; P131-W433 HydrophobicContact CG-CH2 4.04Å; P131-W433 HydrophobicContact CG-CZ2 3.63Å; P131-W433 HydrophobicContact CG-CZ3 4.39Å; F296-W433 AromaticContact CD1-CD1 3.82Å; F296-W433 AromaticContact CD1-CE2 3.94Å; F296-W433 HydrophobicContact CD1-CG 4.47Å; F296-W433 HydrophobicContact CD1-CZ2 4.49Å; F296-W433 AromaticContact CD1-NE1 3.47Å; F296-W433 AromaticContact CE1-CE2 3.74Å; F296-W433 AromaticContact CE1-CZ2 3.84Å; F296-W433 HydrophobicContact CE1-CZ2 3.84Å; F296-W433 AromaticContact CE1-NE1 3.58Å; T429-W433 PolarHBondContact O-N 2.9Å; E431-W433 VanDerWaalsContact C-N 3.33Å; E431-W433 PolarHBondContact O-N 2.86Å; W433-N435 VanDerWaalsContact C-N 3.29Å; W433-N435 PolarHBondContact O-N 2.82Å; W433-W436 HydrophobicContact CE3-CD2 4.4Å; W433-W436 AromaticContact CE3-CE3 3.81Å; W433-W436 HydrophobicContact CE3-CE3 3.81Å; W433-W436 HydrophobicContact CE3-CZ3 4.29Å; W433-W436 HydrophobicContact CZ3-CD2 4.34Å; W433-W436 AromaticContact CZ3-CE3 3.81Å; W433-W436 HydrophobicContact CZ3-CE3 3.81Å; W433-W436 AromaticContact CZ3-CZ3 3.93Å; W433-W436 HydrophobicContact CZ3-CZ3 3.93Å; W433-W436 PolarHBondContact O-N 2.83Å; W433-I437 VanDerWaalsContact O-CG1 3.31Å; W433-I437 WeakPolarHBondContact O-CG1 3.24Å; W433-I437 PolarHBondContact O-N 2.83Å
434T83.4Confident74.5Confident24 Ų2433.8 Ų33.815%0.14715%0.154CC..Hα-helixtrans-58.4-43.3176.8-67.90000111.4L426 G430 E431 S438L426-T434 HydrophobicContact CD1-CG2 4.43Å; G430-T434 VanDerWaalsContact O-CB 3.26Å; G430-T434 WeakPolarHBondContact O-CB 3.46Å; G430-T434 PolarHBondContact O-N 3.13Å; G430-T434 PolarHBondContact O-OG1 3.32Å; E431-T434 WeakPolarHBondContact O-CB 3.38Å; E431-T434 PolarHBondContact O-N 3.44Å; E431-T434 VanDerWaalsContact O-N 3.14Å; T434-S438 WeakPolarHBondContact O-CB 3.44Å; T434-S438 PolarHBondContact O-N 3.18Å; T434-S438 PolarHBondContact O-OG 2.87Å
435N83.1Confident75.7Confident8 Ų828 Ų284%0.04314%0.139CC..Hα-helixtrans-68-42177-69.9-31.7000111.6H134 Y158 E431 A432 W433 S438 G439H134-N435 HydrophobicContact CB-CB 3.92Å; H134-N435 PolarHBondContact O-ND2 2.75Å; H134-N435 VanDerWaalsContact O-ND2 3.14Å; Y158-N435 WeakPolarHBondContact CE2-ND2 3.3Å; Y158-N435 PolarHBondContact OH-ND2 2.93Å; E431-N435 WeakPolarHBondContact O-CB 3.4Å; E431-N435 PolarHBondContact O-N 3.12Å; E431-N435 PolarHBondContact O-ND2 3.29Å; A432-N435 PolarHBondContact O-N 2.84Å; W433-N435 VanDerWaalsContact C-N 3.29Å; W433-N435 PolarHBondContact O-N 2.82Å; N435-S438 PolarHBondContact O-N 2.53Å; N435-G439 PolarHBondContact O-N 2.74Å
436W87.3Confident76.2Confident2 Ų224.7 Ų24.71%0.00814%0.136CC..Hα-helixtrans-60.3-48.5176.4179.983.7000111.7F69 I105 A129 P131 H134 A432 W433 S438 G439 L440 L454F69-W436 AromaticContact CE1-CH2 3.85Å; F69-W436 HydrophobicContact CE1-CH2 3.85Å; F69-W436 HydrophobicContact CE1-CZ3 4.24Å; I105-W436 HydrophobicContact CG2-CH2 3.89Å; I105-W436 HydrophobicContact CG2-CZ2 3.95Å; A129-W436 HydrophobicContact CB-CH2 4.03Å; A129-W436 HydrophobicContact CB-CZ2 3.68Å; P131-W436 HydrophobicContact CB-CB 4.35Å; H134-W436 AromaticContact CD2-CD1 3.65Å; H134-W436 AromaticContact NE2-CD1 3.76Å; A432-W436 WeakPolarHBondContact O-CB 3.46Å; A432-W436 PolarHBondContact O-N 2.88Å; W433-W436 HydrophobicContact CE3-CD2 4.4Å; W433-W436 AromaticContact CE3-CE3 3.81Å; W433-W436 HydrophobicContact CE3-CE3 3.81Å; W433-W436 HydrophobicContact CE3-CZ3 4.29Å; W433-W436 HydrophobicContact CZ3-CD2 4.34Å; W433-W436 AromaticContact CZ3-CE3 3.81Å; W433-W436 HydrophobicContact CZ3-CE3 3.81Å; W433-W436 AromaticContact CZ3-CZ3 3.93Å; W433-W436 HydrophobicContact CZ3-CZ3 3.93Å; W433-W436 PolarHBondContact O-N 2.83Å; W436-S438 PolarHBondContact O-N 2.76Å; W436-G439 PolarHBondContact O-N 2.92Å; W436-L440 HydrophobicContact CH2-CD1 3.64Å; W436-L440 HydrophobicContact CZ2-CD1 3.74Å; W436-L440 HydrophobicContact CZ3-CD1 4.2Å; W436-L440 WeakPolarHBondContact O-CB 3.39Å; W436-L440 PolarHBondContact O-N 3.2Å; W436-L454 PolarHBondContact NE1-O 3.5Å
437I85.9Confident76.3Confident2 Ų229.3 Ų29.31%0.0116%0.157CC..Hα-helixtrans-60.9-46.1175.8-65.1163.1000110.6M21 L22 H25 V28 W433 G439 L440 T441M21-I437 HydrophobicContact CE-CD1 3.93Å; M21-I437 HydrophobicContact CG-CD1 3.45Å; M21-I437 VanDerWaalsContact CG-CD1 3.45Å; M21-I437 HydrophobicContact SD-CD1 3.77Å; L22-I437 HydrophobicContact CD2-CD1 3.79Å; L22-I437 HydrophobicContact CD2-CG1 4.05Å; L22-I437 HydrophobicContact CD2-CG2 4.49Å; H25-I437 HydrophobicContact CB-CG2 4.1Å; H25-I437 WeakPolarHBondContact NE2-CD1 3.43Å; V28-I437 HydrophobicContact CG2-CG2 3.67Å; W433-I437 VanDerWaalsContact O-CG1 3.31Å; W433-I437 WeakPolarHBondContact O-CG1 3.24Å; W433-I437 PolarHBondContact O-N 2.83Å; I437-G439 VanDerWaalsContact C-N 3.25Å; I437-G439 PolarHBondContact O-N 3.12Å; I437-L440 CarbonylContact O-C 3.56Å; I437-L440 WeakPolarHBondContact O-CB 3.25Å; I437-L440 PolarHBondContact O-N 3.2Å; I437-L440 VanDerWaalsContact O-N 3.09Å; I437-T441 HydrophobicContact CG2-CG2 4.41Å; I437-T441 WeakPolarHBondContact O-CG2 2.9Å; I437-T441 PolarHBondContact O-N 2.98Å; I437-T441 PolarHBondContact O-OG1 3.37Å
438S82.6Confident75.6Confident14 Ų1430.9 Ų30.910%0.09816%0.163CC..Hα-helixtrans-60.7-37.8177.7-600000111.7T434 N435 W436 L440 T441 K442T434-S438 WeakPolarHBondContact O-CB 3.44Å; T434-S438 PolarHBondContact O-N 3.18Å; T434-S438 PolarHBondContact O-OG 2.87Å; N435-S438 PolarHBondContact O-N 2.53Å; W436-S438 PolarHBondContact O-N 2.76Å; S438-L440 VanDerWaalsContact C-N 3.33Å; S438-T441 PolarHBondContact O-OG1 3.1Å; S438-T441 VanDerWaalsContact O-OG1 3.13Å; S438-K442 VanDerWaalsContact O-CB 3.24Å; S438-K442 WeakPolarHBondContact O-CB 3.27Å; S438-K442 WeakPolarHBondContact O-CG 3.44Å; S438-K442 PolarHBondContact O-N 3.25Å
439G81Confident74.6Confident8 Ų840.6 Ų40.68%0.08220%0.204CC..Hα-helixtrans-64.6-39.5174.600000112.1N435 W436 I437 N443 L454N435-G439 PolarHBondContact O-N 2.74Å; W436-G439 PolarHBondContact O-N 2.92Å; I437-G439 VanDerWaalsContact C-N 3.25Å; I437-G439 PolarHBondContact O-N 3.12Å; G439-N443 WeakPolarHBondContact O-CB 3.37Å; G439-N443 PolarHBondContact O-N 3.24Å; G439-N443 VanDerWaalsContact O-N 3.17Å; G439-N443 PolarHBondContact O-ND2 3.07Å; G439-L454 WeakPolarHBondContact O-CD1 2.96Å
440L80.8Confident73.5Confident1 Ų143.5 Ų43.51%0.00523%0.225CC..Hα-helixtrans-72.3-28.2178.8-172.5148.5000113.6I4 F67 F69 W436 I437 S438 N443 W448 L454I4-L440 HydrophobicContact CD1-CD2 3.26Å; F67-L440 HydrophobicContact CD1-CD1 4.39Å; F67-L440 HydrophobicContact CD1-CD2 4.16Å; F67-L440 HydrophobicContact CD2-CD2 4.16Å; F67-L440 HydrophobicContact CE1-CD1 3.92Å; F67-L440 HydrophobicContact CE1-CD2 3.68Å; F67-L440 HydrophobicContact CE1-CG 3.89Å; F67-L440 HydrophobicContact CE2-CD2 3.67Å; F67-L440 HydrophobicContact CG-CD2 4.36Å; F67-L440 HydrophobicContact CZ-CD1 4.38Å; F67-L440 HydrophobicContact CZ-CD2 3.37Å; F67-L440 HydrophobicContact CZ-CG 3.82Å; F69-L440 HydrophobicContact CE1-CD1 4.45Å; F69-L440 HydrophobicContact CZ-CD2 4.46Å; W436-L440 HydrophobicContact CH2-CD1 3.64Å; W436-L440 HydrophobicContact CZ2-CD1 3.74Å; W436-L440 HydrophobicContact CZ3-CD1 4.2Å; W436-L440 WeakPolarHBondContact O-CB 3.39Å; W436-L440 PolarHBondContact O-N 3.2Å; I437-L440 CarbonylContact O-C 3.56Å; I437-L440 WeakPolarHBondContact O-CB 3.25Å; I437-L440 PolarHBondContact O-N 3.2Å; I437-L440 VanDerWaalsContact O-N 3.09Å; S438-L440 VanDerWaalsContact C-N 3.33Å; L440-N443 CarbonylContact C-O 3.39Å; L440-W448 HydrophobicContact CG-CH2 4.24Å; L440-L454 HydrophobicContact CB-CD1 4.28Å
441T80.2Confident72.6Confident15 Ų1544.9 Ų44.99%0.09223%0.231CC..Hα-helixtrans-84.8-37.5174.757.40000112.5I4 D27 V28 I437 S438I4-T441 HydrophobicContact CD1-CG2 3.81Å; I4-T441 HydrophobicContact CG1-CG2 4.08Å; I4-T441 HydrophobicContact CG2-CG2 4.34Å; D27-T441 HydrophobicContact CB-CG2 3.81Å; V28-T441 HydrophobicContact CG2-CG2 3.88Å; I437-T441 HydrophobicContact CG2-CG2 4.41Å; I437-T441 WeakPolarHBondContact O-CG2 2.9Å; I437-T441 PolarHBondContact O-N 2.98Å; I437-T441 PolarHBondContact O-OG1 3.37Å; S438-T441 PolarHBondContact O-OG1 3.1Å; S438-T441 VanDerWaalsContact O-OG1 3.13Å
442K77.4Confident71.9Confident109 Ų10950.7 Ų50.747%0.47426%0.258SS..Hα-helixtrans-72-49.6-176.4-78.6-178.6171.2-161.40113.2M1 N157 S438 F444M1-K442 HydrophobicContact CE-CG 3.78Å; N157-K442 WeakPolarHBondContact OD1-CE 3.21Å; N157-K442 PolarHBondContact OD1-NZ 3.45Å; S438-K442 VanDerWaalsContact O-CB 3.24Å; S438-K442 WeakPolarHBondContact O-CB 3.27Å; S438-K442 WeakPolarHBondContact O-CG 3.44Å; S438-K442 PolarHBondContact O-N 3.25Å; K442-F444 PolarHBondContact O-N 3.17Å
443N70.7Confident70.9Confident73 Ų7352.4 Ų52.439%0.3927%0.27SS..SBendtrans-8199.2163-52.7-59.5000100.9G439 L440 W448G439-N443 WeakPolarHBondContact O-CB 3.37Å; G439-N443 PolarHBondContact O-N 3.24Å; G439-N443 VanDerWaalsContact O-N 3.17Å; G439-N443 PolarHBondContact O-ND2 3.07Å; L440-N443 CarbonylContact C-O 3.39Å; N443-W448 HydrophobicContact CB-CZ2 3.56Å; N443-W448 WeakPolarHBondContact O-CH2 3.38Å; N443-W448 WeakPolarHBondContact O-CZ2 3.5Å; N443-W448 PolarHBondContact O-NE1 2.87Å
444F70.5Confident70Confident53 Ų5352 Ų5223%0.23227%0.268CS..  trans-143.6114.7157.7176.1-104.6000104.4I4 Q66 F67 K442 W448I4-F444 HydrophobicContact CG2-CB 4.21Å; I4-F444 HydrophobicContact CG2-CD1 4.13Å; I4-F444 HydrophobicContact CG2-CG 4.03Å; Q66-F444 HydrophobicContact CB-CE2 4.42Å; Q66-F444 HydrophobicContact CB-CZ 3.87Å; Q66-F444 HydrophobicContact CG-CE1 4.24Å; Q66-F444 HydrophobicContact CG-CZ 3.9Å; F67-F444 HydrophobicContact CD2-CE2 4.44Å; F67-F444 AromaticContact CE2-CD2 3.47Å; F67-F444 HydrophobicContact CE2-CD2 3.47Å; F67-F444 VanDerWaalsContact CE2-CD2 3.47Å; F67-F444 AromaticContact CE2-CE2 3.44Å; F67-F444 HydrophobicContact CE2-CE2 3.44Å; F67-F444 VanDerWaalsContact CE2-CE2 3.44Å; F67-F444 HydrophobicContact CE2-CG 4.28Å; F67-F444 HydrophobicContact CE2-CZ 4.26Å; F67-F444 AromaticContact CZ-CD2 3.46Å; F67-F444 HydrophobicContact CZ-CD2 3.46Å; F67-F444 VanDerWaalsContact CZ-CD2 3.46Å; F67-F444 AromaticContact CZ-CE2 3.62Å; F67-F444 HydrophobicContact CZ-CE2 3.62Å; K442-F444 PolarHBondContact O-N 3.17Å; F444-W448 VanDerWaalsContact CA-CE2 3.43Å; F444-W448 HydrophobicContact CD2-CD2 4.13Å; F444-W448 AromaticContact CD2-CE3 3.63Å; F444-W448 HydrophobicContact CD2-CE3 3.63Å; F444-W448 HydrophobicContact CD2-CH2 4.24Å; F444-W448 AromaticContact CD2-CZ3 3.62Å; F444-W448 HydrophobicContact CD2-CZ3 3.62Å; F444-W448 HydrophobicContact CE2-CE3 4.12Å; F444-W448 HydrophobicContact CE2-CZ3 4.28Å
445S65Low69.5Low47 Ų4750.8 Ų50.833%0.32926%0.261SS..  trans-137.6139.1177.6171.20000108.1E447 W448S445-E447 PolarHBondContact O-N 3.06Å; S445-E447 PolarHBondContact OG-N 3.2Å; S445-W448 WeakPolarHBondContact O-CB 3.46Å; S445-W448 PolarHBondContact O-N 3.08Å
446P57.8Low69.2Low84 Ų8450.5 Ų50.555%0.54526%0.26SS..THydrogen-bonded Turntrans-53.5-28.9173.2-23.232.1000112.8R125 W448R125-P446 PolarHBondContact NH1-O 2.61Å; R125-P446 PolarHBondContact NH2-O 3.47Å; P446-W448 VanDerWaalsContact C-N 3.31Å; P446-W448 PolarHBondContact O-N 2.96Å
447E55.7Low68.7Low129 Ų12950.9 Ų50.960%0.60326%0.264SS*.THydrogen-bonded Turntrans-90.812-179.6-53-153.6140.100114.1K99 S445 K449K99-E447 IonicContact NZ-OE1 2.84Å; K99-E447 PolarHBondContact NZ-OE1 3.17Å; S445-E447 PolarHBondContact O-N 3.06Å; S445-E447 PolarHBondContact OG-N 3.2Å; E447-K449 WeakPolarHBondContact O-CG 3.31Å; E447-K449 PolarHBondContact O-N 2.68Å
448W54.8Low68.3Low35 Ų3552.8 Ų52.813%0.13328%0.277CS..  trans-46.7109.1-175.7-100.4-5.4000115.2F67 L440 N443 F444 S445 P446 F451 L454F67-W448 AromaticContact CE1-CZ3 3.89Å; F67-W448 HydrophobicContact CE1-CZ3 3.89Å; F67-W448 HydrophobicContact CZ-CE3 4.42Å; F67-W448 HydrophobicContact CZ-CH2 4.11Å; F67-W448 AromaticContact CZ-CZ3 3.48Å; F67-W448 HydrophobicContact CZ-CZ3 3.48Å; F67-W448 VanDerWaalsContact CZ-CZ3 3.48Å; L440-W448 HydrophobicContact CG-CH2 4.24Å; N443-W448 HydrophobicContact CB-CZ2 3.56Å; N443-W448 WeakPolarHBondContact O-CH2 3.38Å; N443-W448 WeakPolarHBondContact O-CZ2 3.5Å; N443-W448 PolarHBondContact O-NE1 2.87Å; F444-W448 VanDerWaalsContact CA-CE2 3.43Å; F444-W448 HydrophobicContact CD2-CD2 4.13Å; F444-W448 AromaticContact CD2-CE3 3.63Å; F444-W448 HydrophobicContact CD2-CE3 3.63Å; F444-W448 HydrophobicContact CD2-CH2 4.24Å; F444-W448 AromaticContact CD2-CZ3 3.62Å; F444-W448 HydrophobicContact CD2-CZ3 3.62Å; F444-W448 HydrophobicContact CE2-CE3 4.12Å; F444-W448 HydrophobicContact CE2-CZ3 4.28Å; S445-W448 WeakPolarHBondContact O-CB 3.46Å; S445-W448 PolarHBondContact O-N 3.08Å; P446-W448 VanDerWaalsContact C-N 3.31Å; P446-W448 PolarHBondContact O-N 2.96Å; W448-F451 HydrophobicContact CE3-CD2 4.18Å; W448-F451 HydrophobicContact CE3-CE2 4.13Å; W448-F451 HydrophobicContact CH2-CD2 4.39Å; W448-F451 AromaticContact CH2-CE2 3.96Å; W448-F451 HydrophobicContact CH2-CE2 3.96Å; W448-F451 AromaticContact CZ3-CD2 3.96Å; W448-F451 HydrophobicContact CZ3-CD2 3.96Å; W448-F451 AromaticContact CZ3-CE2 3.5Å; W448-F451 HydrophobicContact CZ3-CE2 3.5Å; W448-L454 HydrophobicContact CH2-CD1 4.26Å; W448-L454 HydrophobicContact CZ2-CD1 4.19Å
449K50.6Low68.3Low207 Ų20754.4 Ų54.490%0.930%0.296SS*.  trans-96-11.3179.6-70.8-174.5179.2-179.70114.8E447E447-K449 WeakPolarHBondContact O-CG 3.31Å; E447-K449 PolarHBondContact O-N 2.68Å
450S52.1Low68.6Low70 Ų7055.7 Ų55.749%0.4930%0.3SS..  trans-129.770.7-169.7165.90000110.6
451F59.1Low69Low28 Ų2855.7 Ų55.712%0.12330%0.299CS..  trans-74.1-18.5172.3-143.1-117.3000112.1F67 I105 W448 S453 L454 S455F67-F451 HydrophobicContact CE1-CE2 4.38Å; F67-F451 HydrophobicContact CE1-CZ 4.49Å; I105-F451 HydrophobicContact CD1-CE1 3.27Å; I105-F451 HydrophobicContact CD1-CE2 4.35Å; I105-F451 HydrophobicContact CD1-CZ 3.13Å; I105-F451 HydrophobicContact CG1-CZ 4.37Å; W448-F451 HydrophobicContact CE3-CD2 4.18Å; W448-F451 HydrophobicContact CE3-CE2 4.13Å; W448-F451 HydrophobicContact CH2-CD2 4.39Å; W448-F451 AromaticContact CH2-CE2 3.96Å; W448-F451 HydrophobicContact CH2-CE2 3.96Å; W448-F451 AromaticContact CZ3-CD2 3.96Å; W448-F451 HydrophobicContact CZ3-CD2 3.96Å; W448-F451 AromaticContact CZ3-CE2 3.5Å; W448-F451 HydrophobicContact CZ3-CE2 3.5Å; F451-S453 VanDerWaalsContact C-N 3.34Å; F451-S453 PolarHBondContact O-N 3.34Å; F451-L454 PolarHBondContact O-N 3.19Å; F451-S455 WeakPolarHBondContact CD1-OG 3.29Å; F451-S455 WeakPolarHBondContact CE1-OG 3.33Å; F451-S455 PolarHBondContact O-N 3.37Å; F451-S455 PolarHBondContact O-OG 3.08Å
452E62.2Low69.4Low146 Ų14656 Ų5668%0.68230%0.304SS*.THydrogen-bonded Turntrans-65.5-27.4-171.7-63.7-176.7165.500114.7R133 S455R133-E452 PolarHBondContact NH1-O 2.97Å; E452-S455 CarbonylContact C-O 3.59Å; E452-S455 WeakPolarHBondContact CA-O 3.46Å; E452-S455 VanDerWaalsContact O-O 3.12Å
453S64.5Low70.1Confident35 Ų3551.6 Ų51.625%0.24529%0.285CS..THydrogen-bonded Turntrans-74.6-28.9-179.264.30000112.7R133 F451R133-S453 WeakPolarHBondContact CD-O 3.38Å; R133-S453 VanDerWaalsContact NH1-C 3.34Å; R133-S453 PolarHBondContact NH1-O 3.23Å; F451-S453 VanDerWaalsContact C-N 3.34Å; F451-S453 PolarHBondContact O-N 3.34Å
454L65.9Low71.2Confident1 Ų148.1 Ų48.11%0.00527%0.266CS..THydrogen-bonded Turntrans-102.4-29.9-176.8-64167.7000111.9W436 G439 L440 W448 F451W436-L454 PolarHBondContact NE1-O 3.5Å; G439-L454 WeakPolarHBondContact O-CD1 2.96Å; L440-L454 HydrophobicContact CB-CD1 4.28Å; W448-L454 HydrophobicContact CH2-CD1 4.26Å; W448-L454 HydrophobicContact CZ2-CD1 4.19Å; F451-L454 PolarHBondContact O-N 3.19Å
455S71.4Confident72.2Confident0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-138.1154.9-174.967.50000110.3F128 F451 E452 G457F128-S455 CarbonylContact O-C 3.54Å; F128-S455 WeakPolarHBondContact O-CA 3.42Å; F128-S455 WeakPolarHBondContact O-CB 3.4Å; F451-S455 WeakPolarHBondContact CD1-OG 3.29Å; F451-S455 WeakPolarHBondContact CE1-OG 3.33Å; F451-S455 PolarHBondContact O-N 3.37Å; F451-S455 PolarHBondContact O-OG 3.08Å; E452-S455 CarbonylContact C-O 3.59Å; E452-S455 WeakPolarHBondContact CA-O 3.46Å; E452-S455 VanDerWaalsContact O-O 3.12Å; S455-G457 PolarHBondContact O-N 3.2Å
456A77.7Confident73.5Confident1 Ų147.1 Ų47.11%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-72.2113.8166.400000108.1G127 F128 M130 H460 W461 I464G127-A456 WeakPolarHBondContact CA-O 3.35Å; F128-A456 HydrophobicContact CB-CB 4.26Å; F128-A456 PolarHBondContact N-O 3.35Å; F128-A456 PolarHBondContact O-N 2.69Å; M130-A456 HydrophobicContact CE-CB 3.79Å; M130-A456 HydrophobicContact CG-CB 4.06Å; A456-H460 HydrophobicContact CB-CB 4.27Å; A456-W461 HydrophobicContact CB-CB 4.26Å; A456-I464 HydrophobicContact CB-CD1 4.12Å
457G77.4Confident75.3Confident10 Ų1043.1 Ų43.110%0.10324%0.237CC..  trans-68.6173.4164.500000111S455 G459 H460 W461S455-G457 PolarHBondContact O-N 3.2Å; G457-G459 PolarHBondContact O-N 2.8Å; G457-H460 PolarHBondContact O-N 2.77Å; G457-W461 WeakPolarHBondContact O-CB 3.26Å; G457-W461 PolarHBondContact O-N 3.48Å
458P77.7Confident77.2Confident42 Ų4237.1 Ų37.127%0.27321%0.209SC..Hα-helixtrans-51.6-47.8-174.1-29.635.7000114.1M116 L119 E120 H460 W461 A462M116-P458 WeakPolarHBondContact CE-O 3.01Å; L119-P458 HydrophobicContact CB-CB 4.49Å; E120-P458 HydrophobicContact CG-CB 4.09Å; P458-H460 PolarHBondContact O-N 3.03Å; P458-W461 PolarHBondContact O-N 2.95Å; P458-A462 PolarHBondContact O-N 2.98Å
459G81.7Confident78.9Confident48 Ų4840 Ų4050%0.49522%0.223SC..Hα-helixtrans-64.6-41.3-179.100000114G457 A462 Y463G457-G459 PolarHBondContact O-N 2.8Å; G459-A462 VanDerWaalsContact O-CB 3.31Å; G459-A462 WeakPolarHBondContact O-CB 3.5Å; G459-A462 PolarHBondContact O-N 2.85Å; G459-Y463 PolarHBondContact O-N 3.15Å
460H87.8Confident81.1Confident36 Ų3630.1 Ų30.117%0.16718%0.181CC..Hα-helixtrans-71.7-35.7176.6-171.156.5000111.9D213 Y216 A456 G457 P458 A462 Y463 I464D213-H460 IonicContact OD1-CD2 2.7Å; D213-H460 PolarHBondContact OD1-CD2 2.64Å; D213-H460 IonicContact OD1-CE1 2.75Å; D213-H460 IonicContact OD1-NE2 3.45Å; D213-H460 PolarHBondContact OD1-NE2 2.8Å; Y216-H460 AromaticContact CD1-CE1 3.43Å; Y216-H460 VanDerWaalsContact CD1-CE1 3.43Å; Y216-H460 WeakPolarHBondContact CD1-CE1 3.38Å; Y216-H460 AromaticContact CE1-CE1 3.77Å; Y216-H460 AromaticContact CG-CE1 3.63Å; A456-H460 HydrophobicContact CB-CB 4.27Å; G457-H460 PolarHBondContact O-N 2.77Å; P458-H460 PolarHBondContact O-N 3.03Å; H460-A462 VanDerWaalsContact C-N 3.32Å; H460-Y463 AromaticContact CE1-CD1 3.76Å; H460-Y463 AromaticContact ND1-CD1 3.85Å; H460-Y463 WeakPolarHBondContact O-CB 3.5Å; H460-Y463 PolarHBondContact O-N 3.37Å; H460-I464 WeakPolarHBondContact O-CG1 3.18Å; H460-I464 PolarHBondContact O-N 3.24Å
461W88.4Confident83.1Confident0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-63.1-39.1171.5179.6-108.3000111.7V110 Y114 M116 F128 M130 P209 A456 G457 P458 Y463 I464 Q465V110-W461 HydrophobicContact CB-CH2 3.77Å; V110-W461 HydrophobicContact CB-CZ2 4.4Å; V110-W461 HydrophobicContact CB-CZ3 4.42Å; V110-W461 HydrophobicContact CG1-CH2 3.12Å; V110-W461 HydrophobicContact CG1-CZ2 3.35Å; V110-W461 HydrophobicContact CG1-CZ3 3.86Å; Y114-W461 AromaticContact CD2-CZ2 3.91Å; Y114-W461 HydrophobicContact CD2-CZ2 3.91Å; Y114-W461 AromaticContact CD2-NE1 3.77Å; Y114-W461 HydrophobicContact CE2-CZ2 4.08Å; M116-W461 HydrophobicContact SD-CG 4.45Å; F128-W461 HydrophobicContact CB-CE3 4.02Å; F128-W461 HydrophobicContact CB-CZ3 4.5Å; F128-W461 AromaticContact CD1-CD2 3.84Å; F128-W461 HydrophobicContact CD1-CD2 3.84Å; F128-W461 AromaticContact CD1-CE3 3.85Å; F128-W461 HydrophobicContact CD1-CE3 3.85Å; F128-W461 HydrophobicContact CD1-CG 4.44Å; F128-W461 HydrophobicContact CD1-CH2 4.35Å; F128-W461 HydrophobicContact CD1-CZ2 4.31Å; F128-W461 HydrophobicContact CD1-CZ3 4.09Å; F128-W461 HydrophobicContact CD2-CB 3.67Å; F128-W461 AromaticContact CD2-CD2 3.65Å; F128-W461 HydrophobicContact CD2-CD2 3.65Å; F128-W461 AromaticContact CD2-CE3 3.97Å; F128-W461 HydrophobicContact CD2-CE3 3.97Å; F128-W461 AromaticContact CD2-CG 3.45Å; F128-W461 HydrophobicContact CD2-CG 3.45Å; F128-W461 VanDerWaalsContact CD2-CG 3.45Å; F128-W461 AromaticContact CE1-CD2 3.81Å; F128-W461 HydrophobicContact CE1-CD2 3.81Å; F128-W461 AromaticContact CE1-CE2 3.6Å; F128-W461 HydrophobicContact CE1-CE3 4.28Å; F128-W461 HydrophobicContact CE1-CG 4.23Å; F128-W461 HydrophobicContact CE1-CH2 4.46Å; F128-W461 AromaticContact CE1-CZ2 3.99Å; F128-W461 HydrophobicContact CE1-CZ2 3.99Å; F128-W461 AromaticContact CE1-NE1 3.83Å; F128-W461 HydrophobicContact CE2-CB 3.74Å; F128-W461 AromaticContact CE2-CD1 3.29Å; F128-W461 AromaticContact CE2-CD2 3.66Å; F128-W461 HydrophobicContact CE2-CD2 3.66Å; F128-W461 HydrophobicContact CE2-CE3 4.42Å; F128-W461 AromaticContact CE2-CG 3.22Å; F128-W461 HydrophobicContact CE2-CG 3.22Å; F128-W461 AromaticContact CE2-NE1 3.81Å; F128-W461 AromaticContact CG-CD2 3.74Å; F128-W461 HydrophobicContact CG-CD2 3.74Å; F128-W461 AromaticContact CG-CE3 3.67Å; F128-W461 HydrophobicContact CG-CE3 3.67Å; F128-W461 HydrophobicContact CG-CG 4.07Å; F128-W461 HydrophobicContact CG-CZ3 4.27Å; F128-W461 AromaticContact CZ-CD1 3.37Å; F128-W461 AromaticContact CZ-CD2 3.73Å; F128-W461 HydrophobicContact CZ-CD2 3.73Å; F128-W461 AromaticContact CZ-CE2 3.62Å; F128-W461 AromaticContact CZ-CG 3.65Å; F128-W461 HydrophobicContact CZ-CG 3.65Å; F128-W461 HydrophobicContact CZ-CZ2 4.42Å; F128-W461 AromaticContact CZ-NE1 3.38Å; M130-W461 HydrophobicContact CE-CE3 3.86Å; M130-W461 HydrophobicContact CE-CZ3 3.82Å; P209-W461 HydrophobicContact CB-CH2 4.25Å; P209-W461 HydrophobicContact CB-CZ3 3.94Å; P209-W461 HydrophobicContact CG-CH2 4.35Å; A456-W461 HydrophobicContact CB-CB 4.26Å; G457-W461 WeakPolarHBondContact O-CB 3.26Å; G457-W461 PolarHBondContact O-N 3.48Å; P458-W461 PolarHBondContact O-N 2.95Å; W461-Y463 PolarHBondContact O-N 2.94Å; W461-I464 HydrophobicContact CE3-CB 4.12Å; W461-I464 HydrophobicContact CE3-CD1 4.33Å; W461-I464 HydrophobicContact CE3-CG2 4.07Å; W461-I464 HydrophobicContact CH2-CG2 4.23Å; W461-I464 HydrophobicContact CZ3-CB 4.25Å; W461-I464 HydrophobicContact CZ3-CG2 3.68Å; W461-I464 PolarHBondContact O-N 2.93Å; W461-I464 VanDerWaalsContact O-N 3.12Å; W461-Q465 HydrophobicContact CZ2-CB 4.43Å; W461-Q465 VanDerWaalsContact O-CB 3.24Å; W461-Q465 WeakPolarHBondContact O-CB 3.36Å; W461-Q465 PolarHBondContact O-N 2.72Å
462A88.7Confident84.7Confident23 Ų2327.5 Ų27.519%0.1917%0.166CC..Hα-helixtrans-55.2-42.4174.700000111.7M116 P458 G459 H460 S466M116-A462 HydrophobicContact CE-CB 3.68Å; M116-A462 HydrophobicContact CG-CB 4.32Å; M116-A462 HydrophobicContact SD-CB 4.35Å; P458-A462 PolarHBondContact O-N 2.98Å; G459-A462 VanDerWaalsContact O-CB 3.31Å; G459-A462 WeakPolarHBondContact O-CB 3.5Å; G459-A462 PolarHBondContact O-N 2.85Å; H460-A462 VanDerWaalsContact C-N 3.32Å; A462-S466 WeakPolarHBondContact O-CB 3.5Å; A462-S466 PolarHBondContact O-N 3.09Å; A462-S466 PolarHBondContact O-OG 2.94Å
463Y92.1Very high86.1Confident16 Ų1623.8 Ų23.86%0.06315%0.147CC..Hα-helixtrans-62.7-53.1173.8158.8-110000111.6I212 Y216 Q223 I224 G459 H460 W461 Q465 S466 V467I212-Y463 HydrophobicContact CG2-CE1 3.73Å; Y216-Y463 HydrophobicContact CD2-CE1 4.02Å; Y216-Y463 HydrophobicContact CG-CE1 4.39Å; Q223-Y463 HydrophobicContact CB-CD2 4.11Å; Q223-Y463 HydrophobicContact CB-CE2 3.57Å; Q223-Y463 HydrophobicContact CG-CD2 3.93Å; Q223-Y463 HydrophobicContact CG-CE2 3.77Å; Q223-Y463 HydrophobicContact CG-CG 4.39Å; I224-Y463 PolarHBondContact N-OH 3.45Å; G459-Y463 PolarHBondContact O-N 3.15Å; H460-Y463 AromaticContact CE1-CD1 3.76Å; H460-Y463 AromaticContact ND1-CD1 3.85Å; H460-Y463 WeakPolarHBondContact O-CB 3.5Å; H460-Y463 PolarHBondContact O-N 3.37Å; W461-Y463 PolarHBondContact O-N 2.94Å; Y463-Q465 VanDerWaalsContact C-N 3.27Å; Y463-Q465 PolarHBondContact O-N 2.8Å; Y463-S466 WeakPolarHBondContact O-CB 3.09Å; Y463-S466 PolarHBondContact O-N 3.34Å; Y463-S466 VanDerWaalsContact O-N 3.14Å; Y463-V467 HydrophobicContact CD2-CG2 3.95Å; Y463-V467 HydrophobicContact CE2-CG2 3.4Å; Y463-V467 WeakPolarHBondContact O-CG2 3.33Å; Y463-V467 PolarHBondContact O-N 2.62Å
464I93.4Very high87.6Confident0 Ų022.1 Ų22.10%014%0.136CC..Hα-helixtrans-57-45179.5-67.1170.5000110.6M130 P209 I212 D213 A456 H460 W461 S466 V467 M468M130-I464 HydrophobicContact CE-CD1 3.59Å; M130-I464 HydrophobicContact SD-CD1 4.26Å; P209-I464 HydrophobicContact CB-CG2 3.87Å; I212-I464 HydrophobicContact CD1-CG2 4.28Å; I212-I464 HydrophobicContact CG2-CG1 4.06Å; D213-I464 HydrophobicContact CB-CD1 4.1Å; A456-I464 HydrophobicContact CB-CD1 4.12Å; H460-I464 WeakPolarHBondContact O-CG1 3.18Å; H460-I464 PolarHBondContact O-N 3.24Å; W461-I464 HydrophobicContact CE3-CB 4.12Å; W461-I464 HydrophobicContact CE3-CD1 4.33Å; W461-I464 HydrophobicContact CE3-CG2 4.07Å; W461-I464 HydrophobicContact CH2-CG2 4.23Å; W461-I464 HydrophobicContact CZ3-CB 4.25Å; W461-I464 HydrophobicContact CZ3-CG2 3.68Å; W461-I464 PolarHBondContact O-N 2.93Å; W461-I464 VanDerWaalsContact O-N 3.12Å; I464-S466 PolarHBondContact O-N 2.86Å; I464-V467 PolarHBondContact O-N 3.17Å; I464-M468 HydrophobicContact CG2-CG 4.35Å; I464-M468 VanDerWaalsContact O-CG 3.29Å; I464-M468 WeakPolarHBondContact O-CG 3.46Å; I464-M468 PolarHBondContact O-N 3.28Å
465Q91.8Very high88.9Confident25 Ų2523.9 Ų23.912%0.11715%0.147CC..Hα-helixtrans-61.5-42.5178.2-175.7167.7-57.600112P112 Y114 W461 Y463 V467 M468 H469P112-Q465 HydrophobicContact CB-CG 4.36Å; P112-Q465 WeakPolarHBondContact O-CG 3.18Å; P112-Q465 PolarHBondContact O-NE2 2.86Å; Y114-Q465 PolarHBondContact O-NE2 3.48Å; Y114-Q465 PolarHBondContact O-OE1 3.07Å; W461-Q465 HydrophobicContact CZ2-CB 4.43Å; W461-Q465 VanDerWaalsContact O-CB 3.24Å; W461-Q465 WeakPolarHBondContact O-CB 3.36Å; W461-Q465 PolarHBondContact O-N 2.72Å; Y463-Q465 VanDerWaalsContact C-N 3.27Å; Y463-Q465 PolarHBondContact O-N 2.8Å; Q465-V467 VanDerWaalsContact C-N 3.35Å; Q465-V467 PolarHBondContact O-N 2.84Å; Q465-M468 PolarHBondContact O-N 3.48Å; Q465-H469 PolarHBondContact O-N 2.81Å
466S93.4Very high89.8Confident54 Ų5430.8 Ų30.838%0.37818%0.179SC..Hα-helixtrans-62.3-42.4176.5-59.80000111.6A462 Y463 I464 H469 A470A462-S466 WeakPolarHBondContact O-CB 3.5Å; A462-S466 PolarHBondContact O-N 3.09Å; A462-S466 PolarHBondContact O-OG 2.94Å; Y463-S466 WeakPolarHBondContact O-CB 3.09Å; Y463-S466 PolarHBondContact O-N 3.34Å; Y463-S466 VanDerWaalsContact O-N 3.14Å; I464-S466 PolarHBondContact O-N 2.86Å; S466-H469 PolarHBondContact O-N 2.85Å; S466-A470 WeakPolarHBondContact O-CB 3.48Å; S466-A470 PolarHBondContact O-N 2.93Å
467V95.9Very high90.6Very high0 Ų035.3 Ų35.30%020%0.202CC..Hα-helixtrans-63.8-45.4175.3177.30000110.8I212 I224 V227 Y463 I464 Q465 H469 A470 I471 V483I212-V467 HydrophobicContact CD1-CB 3.96Å; I212-V467 HydrophobicContact CD1-CG1 3.58Å; I212-V467 HydrophobicContact CG1-CG1 3.89Å; I212-V467 HydrophobicContact CG2-CB 4.27Å; I212-V467 HydrophobicContact CG2-CG1 4.25Å; I212-V467 HydrophobicContact CG2-CG2 4.28Å; I224-V467 HydrophobicContact CB-CG2 4.13Å; I224-V467 HydrophobicContact CD1-CG1 4.07Å; V227-V467 HydrophobicContact CG1-CG1 4.35Å; Y463-V467 HydrophobicContact CD2-CG2 3.95Å; Y463-V467 HydrophobicContact CE2-CG2 3.4Å; Y463-V467 WeakPolarHBondContact O-CG2 3.33Å; Y463-V467 PolarHBondContact O-N 2.62Å; I464-V467 PolarHBondContact O-N 3.17Å; Q465-V467 VanDerWaalsContact C-N 3.35Å; Q465-V467 PolarHBondContact O-N 2.84Å; V467-H469 PolarHBondContact O-N 2.94Å; V467-A470 PolarHBondContact O-N 2.81Å; V467-I471 HydrophobicContact CG1-CD1 3.84Å; V467-I471 HydrophobicContact CG1-CG1 4.39Å; V467-I471 VanDerWaalsContact O-CG1 3.3Å; V467-I471 WeakPolarHBondContact O-CG1 3.46Å; V467-I471 PolarHBondContact O-N 2.76Å; V467-V483 HydrophobicContact CB-CG1 4.48Å; V467-V483 HydrophobicContact CG2-CG1 3.73Å; V467-V483 HydrophobicContact CG2-CG2 4.34Å
468M93.9Very high91.3Very high3 Ų345.3 Ų45.32%0.01524%0.237CC..Hα-helixtrans-59.9-44.1177.2-72.3-72.8-68.700111.9P112 C208 P209 I212 I464 Q465 A470 I471 S472P112-M468 HydrophobicContact CB-CB 3.72Å; C208-M468 HydrophobicContact CB-CE 4.22Å; C208-M468 HydrophobicContact CB-SD 3.55Å; C208-M468 VanDerWaalsContact CB-SD 3.55Å; C208-M468 VanDerWaalsContact SG-SD 3.61Å; P209-M468 HydrophobicContact CG-CE 4.14Å; P209-M468 HydrophobicContact CG-SD 4.18Å; I212-M468 HydrophobicContact CD1-CG 3.8Å; I212-M468 HydrophobicContact CD1-SD 3.8Å; I464-M468 HydrophobicContact CG2-CG 4.35Å; I464-M468 VanDerWaalsContact O-CG 3.29Å; I464-M468 WeakPolarHBondContact O-CG 3.46Å; I464-M468 PolarHBondContact O-N 3.28Å; Q465-M468 PolarHBondContact O-N 3.48Å; M468-A470 VanDerWaalsContact C-N 3.35Å; M468-A470 PolarHBondContact O-N 2.89Å; M468-I471 WeakPolarHBondContact O-CB 3.49Å; M468-I471 PolarHBondContact O-N 2.73Å; M468-S472 PolarHBondContact O-N 3.14Å; M468-S472 PolarHBondContact O-OG 2.92Å
469H92.3Very high92.2Very high94 Ų9444 Ų4444%0.43523%0.228SC..Hα-helixtrans-62-43.3176.1-172.481.3000111.7Q465 S466 V467 I471 S472 K473Q465-H469 PolarHBondContact O-N 2.81Å; S466-H469 PolarHBondContact O-N 2.85Å; V467-H469 PolarHBondContact O-N 2.94Å; H469-I471 VanDerWaalsContact C-N 3.33Å; H469-I471 PolarHBondContact O-N 2.82Å; H469-S472 PolarHBondContact O-N 2.78Å; H469-K473 VanDerWaalsContact O-CB 3.32Å; H469-K473 WeakPolarHBondContact O-CB 3.38Å; H469-K473 PolarHBondContact O-N 2.75Å
470A95.3Very high92.9Very high1 Ų145.7 Ų45.71%0.00822%0.22CC..Hα-helixtrans-63.4-38.3175.900000112V227 S466 V467 M468 S474 I481 V483V227-A470 HydrophobicContact CG2-CB 3.51Å; S466-A470 WeakPolarHBondContact O-CB 3.48Å; S466-A470 PolarHBondContact O-N 2.93Å; V467-A470 PolarHBondContact O-N 2.81Å; M468-A470 VanDerWaalsContact C-N 3.35Å; M468-A470 PolarHBondContact O-N 2.89Å; A470-S474 WeakPolarHBondContact O-CB 3.22Å; A470-S474 PolarHBondContact O-N 3.19Å; A470-S474 PolarHBondContact O-OG 3.01Å; A470-I481 HydrophobicContact CB-CB 4.27Å; A470-I481 HydrophobicContact CB-CG2 3.78Å; A470-V483 HydrophobicContact CB-CG2 4Å
471I95.3Very high93.4Very high1 Ų144 Ų441%0.00521%0.212CC..Hα-helixtrans-61.4-53.6174-72.6164.5000110.3L204 I212 V227 I256 V467 M468 H469 K473 S474 T475L204-I471 HydrophobicContact CD2-CG2 3.81Å; I212-I471 HydrophobicContact CD1-CD1 4.22Å; V227-I471 HydrophobicContact CB-CG1 4.36Å; V227-I471 HydrophobicContact CG1-CG1 4.44Å; V227-I471 HydrophobicContact CG2-CG1 4.11Å; I256-I471 HydrophobicContact CD1-CD1 3.85Å; I256-I471 HydrophobicContact CD1-CG2 4.48Å; I256-I471 HydrophobicContact CG1-CD1 4.25Å; I256-I471 HydrophobicContact CG1-CG1 4.46Å; I256-I471 HydrophobicContact CG1-CG2 4.28Å; I256-I471 HydrophobicContact CG2-CD1 4.04Å; I256-I471 HydrophobicContact CG2-CG1 4.07Å; V467-I471 HydrophobicContact CG1-CD1 3.84Å; V467-I471 HydrophobicContact CG1-CG1 4.39Å; V467-I471 VanDerWaalsContact O-CG1 3.3Å; V467-I471 WeakPolarHBondContact O-CG1 3.46Å; V467-I471 PolarHBondContact O-N 2.76Å; M468-I471 WeakPolarHBondContact O-CB 3.49Å; M468-I471 PolarHBondContact O-N 2.73Å; H469-I471 VanDerWaalsContact C-N 3.33Å; H469-I471 PolarHBondContact O-N 2.82Å; I471-K473 VanDerWaalsContact C-N 3.3Å; I471-K473 PolarHBondContact O-N 2.96Å; I471-S474 PolarHBondContact O-N 3.39Å; I471-S474 VanDerWaalsContact O-N 3.14Å; I471-S474 PolarHBondContact O-OG 2.85Å; I471-T475 PolarHBondContact O-N 3.27Å; I471-T475 PolarHBondContact O-OG1 3.01Å
472S91.4Very high93.9Very high42 Ų4245.9 Ų45.929%0.29422%0.222SC..Hα-helixtrans-56.9-45.6179.3-640000111.5M468 H469 T475 Q476M468-S472 PolarHBondContact O-N 3.14Å; M468-S472 PolarHBondContact O-OG 2.92Å; H469-S472 PolarHBondContact O-N 2.78Å; S472-T475 PolarHBondContact O-N 2.86Å; S472-Q476 WeakPolarHBondContact O-CG 3.29Å; S472-Q476 PolarHBondContact O-N 2.98Å; S472-Q476 VanDerWaalsContact O-N 3.13Å
473K93.1Very high94.2Very high68 Ų6845.4 Ų45.430%0.29622%0.217SC..Hα-helixtrans-65-40.3177.5-169.3170.8-171.11690112.6H469 I471 T475 Q476 L477 I481 G486H469-K473 VanDerWaalsContact O-CB 3.32Å; H469-K473 WeakPolarHBondContact O-CB 3.38Å; H469-K473 PolarHBondContact O-N 2.75Å; I471-K473 VanDerWaalsContact C-N 3.3Å; I471-K473 PolarHBondContact O-N 2.96Å; K473-T475 VanDerWaalsContact C-N 3.33Å; K473-T475 PolarHBondContact O-N 3.13Å; K473-Q476 PolarHBondContact O-N 3.1Å; K473-L477 HydrophobicContact CG-CD1 3.86Å; K473-L477 HydrophobicContact CG-CG 4.41Å; K473-L477 WeakPolarHBondContact O-CB 3.14Å; K473-L477 WeakPolarHBondContact O-CG 3.14Å; K473-L477 PolarHBondContact O-N 2.89Å; K473-I481 HydrophobicContact CB-CG1 4.37Å; K473-I481 HydrophobicContact CD-CD1 4.3Å; K473-I481 HydrophobicContact CG-CD1 4.05Å; K473-I481 HydrophobicContact CG-CG1 4.33Å; K473-G486 WeakPolarHBondContact CD-O 3.11Å; K473-G486 VanDerWaalsContact CE-O 3.26Å; K473-G486 WeakPolarHBondContact CE-O 3.39Å; K473-G486 PolarHBondContact NZ-O 2.83Å
474S96Very high94.3Very high0 Ų053.3 Ų53.30%025%0.254CS..Hα-helixtrans-65.5-36.7178.175.70000112S229 A470 I471 R478 C479S229-S474 WeakPolarHBondContact CB-OG 3.39Å; S229-S474 PolarHBondContact N-OG 2.92Å; A470-S474 WeakPolarHBondContact O-CB 3.22Å; A470-S474 PolarHBondContact O-N 3.19Å; A470-S474 PolarHBondContact O-OG 3.01Å; I471-S474 PolarHBondContact O-N 3.39Å; I471-S474 VanDerWaalsContact O-N 3.14Å; I471-S474 PolarHBondContact O-OG 2.85Å; S474-R478 WeakPolarHBondContact O-CA 3.22Å; S474-R478 PolarHBondContact O-N 2.81Å; S474-C479 VanDerWaalsContact CB-O 3.28Å; S474-C479 WeakPolarHBondContact CB-O 3.33Å; S474-C479 PolarHBondContact O-N 3.49Å
475T92.4Very high94.3Very high38 Ų3857.1 Ų57.123%0.23328%0.278CS..Hα-helixtrans-65.6-43.7175.5-62.90000111.3S229 I471 S472 K473S229-T475 WeakPolarHBondContact CB-OG1 3.37Å; S229-T475 WeakPolarHBondContact O-CA 3.36Å; S229-T475 PolarHBondContact OG-OG1 3.03Å; I471-T475 PolarHBondContact O-N 3.27Å; I471-T475 PolarHBondContact O-OG1 3.01Å; S472-T475 PolarHBondContact O-N 2.86Å; K473-T475 VanDerWaalsContact C-N 3.33Å; K473-T475 PolarHBondContact O-N 3.13Å
476Q90.7Very high94.3Very high145 Ų14556.5 Ų56.568%0.67828%0.278SS*.Hα-helixtrans-65.8-44.9177.7-70.5174.5-5.700112.2S472 K473S472-Q476 WeakPolarHBondContact O-CG 3.29Å; S472-Q476 PolarHBondContact O-N 2.98Å; S472-Q476 VanDerWaalsContact O-N 3.13Å; K473-Q476 PolarHBondContact O-N 3.1Å
477L93.1Very high94.4Very high95 Ų9560.9 Ų60.950%0.49729%0.29SS..Hα-helixtrans-89.9-11.6-174.9-62.1-179.4000114.3K473 C479 I481K473-L477 HydrophobicContact CG-CD1 3.86Å; K473-L477 HydrophobicContact CG-CG 4.41Å; K473-L477 WeakPolarHBondContact O-CB 3.14Å; K473-L477 WeakPolarHBondContact O-CG 3.14Å; K473-L477 PolarHBondContact O-N 2.89Å; L477-C479 VanDerWaalsContact C-N 3.32Å; L477-C479 VanDerWaalsContact CB-SG 3.51Å; L477-C479 PolarHBondContact O-N 2.95Å; L477-I481 HydrophobicContact CD1-CD1 4.16Å
478R92.9Very high94.3Very high221 Ų22169.8 Ų69.883%0.83432%0.324SS*.THydrogen-bonded Turntrans51.946.3-175.3-57.1-176.2179.8-173.20.7113S474S474-R478 WeakPolarHBondContact O-CA 3.22Å; S474-R478 PolarHBondContact O-N 2.81Å
479C96Very high94.1Very high13 Ų1376.3 Ų76.39%0.08836%0.356CS..SBendtrans-146170-178.866.10000111.9S474 L477 R488S474-C479 VanDerWaalsContact CB-O 3.28Å; S474-C479 WeakPolarHBondContact CB-O 3.33Å; S474-C479 PolarHBondContact O-N 3.49Å; L477-C479 VanDerWaalsContact C-N 3.32Å; L477-C479 VanDerWaalsContact CB-SG 3.51Å; L477-C479 PolarHBondContact O-N 2.95Å; C479-R488 HydrophobicContact CB-CG 4.29Å
480W97.7Very high94.2Very high85 Ų8575.5 Ų75.532%0.32235%0.352SS..  trans-69.9132.7170.1-73.689.3000110.8V227 T228 M257 E259 R488 M489V227-W480 CarbonylContact O-C 3.54Å; V227-W480 WeakPolarHBondContact O-CA 3.48Å; T228-W480 HydrophobicContact CG2-CD2 3.95Å; T228-W480 HydrophobicContact CG2-CE3 4.3Å; T228-W480 HydrophobicContact CG2-CH2 4.02Å; T228-W480 HydrophobicContact CG2-CZ2 3.61Å; T228-W480 HydrophobicContact CG2-CZ3 4.34Å; M257-W480 HydrophobicContact CB-CH2 4.48Å; M257-W480 HydrophobicContact CG-CH2 4Å; M257-W480 HydrophobicContact CG-CZ2 4.36Å; M257-W480 HydrophobicContact SD-CH2 4.33Å; M257-W480 HydrophobicContact SD-CZ2 4.14Å; E259-W480 HydrophobicContact CG-CH2 4.31Å; E259-W480 HydrophobicContact CG-CZ3 4.06Å; W480-R488 WeakPolarHBondContact O-CA 3.44Å; W480-M489 HydrophobicContact CB-CB 4.09Å; W480-M489 PolarHBondContact O-N 2.77Å
481I98.2Very high94.1Very high0 Ų079.4 Ų79.40%037%0.37CS..EExtended strand (participates in β ladder)trans-118130.6175.8-57.5-62000108.6S226 V227 A470 K473 L477 K487 R488S226-I481 CarbonylContact C-O 3.43Å; S226-I481 VanDerWaalsContact CA-O 3.25Å; S226-I481 WeakPolarHBondContact CA-O 3.47Å; V227-I481 PolarHBondContact N-O 2.91Å; V227-I481 PolarHBondContact O-N 2.7Å; A470-I481 HydrophobicContact CB-CB 4.27Å; A470-I481 HydrophobicContact CB-CG2 3.78Å; K473-I481 HydrophobicContact CB-CG1 4.37Å; K473-I481 HydrophobicContact CD-CD1 4.3Å; K473-I481 HydrophobicContact CG-CD1 4.05Å; K473-I481 HydrophobicContact CG-CG1 4.33Å; L477-I481 HydrophobicContact CD1-CD1 4.16Å; I481-K487 WeakPolarHBondContact CA-O 3.49Å; I481-R488 HydrophobicContact CD1-CB 4.47Å
482D97.5Very high94.1Very high39 Ų3983.7 Ų83.721%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-73.8125168.5175.7-86.8000109.1Q484 T485 G486 K487 M489D482-Q484 VanDerWaalsContact C-N 3.34Å; D482-Q484 PolarHBondContact O-N 3.01Å; D482-Q484 PolarHBondContact OD1-N 2.88Å; D482-T485 WeakPolarHBondContact CB-OG1 3.5Å; D482-T485 WeakPolarHBondContact OD1-CB 3.43Å; D482-T485 WeakPolarHBondContact OD1-CG2 3.33Å; D482-T485 PolarHBondContact OD1-N 3.08Å; D482-T485 PolarHBondContact OD1-OG1 3.01Å; D482-G486 WeakPolarHBondContact O-CA 3.38Å; D482-G486 PolarHBondContact O-N 2.86Å; D482-K487 PolarHBondContact N-O 3.28Å; D482-M489 HydrophobicContact CB-CG 3.84Å; D482-M489 HydrophobicContact CB-SD 4.1Å
483V96.5Very high94.2Very high13 Ų1386.2 Ų86.28%0.07940%0.396CS..THydrogen-bonded Turntrans-67.1-36.4-172.5171.30000111.6I224 T225 V227 V467 A470I224-V483 HydrophobicContact CG2-CG2 4.22Å; T225-V483 PolarHBondContact O-N 2.86Å; V227-V483 HydrophobicContact CG1-CG2 4.07Å; V227-V483 HydrophobicContact CG2-CG2 4.44Å; V467-V483 HydrophobicContact CB-CG1 4.48Å; V467-V483 HydrophobicContact CG2-CG1 3.73Å; V467-V483 HydrophobicContact CG2-CG2 4.34Å; A470-V483 HydrophobicContact CB-CG2 4Å
484Q92.9Very high94.3Very high182 Ų18287.3 Ų87.385%0.8540%0.403SS*.THydrogen-bonded Turntrans-74.5-41.4-175-173.6178.16.500112D482D482-Q484 VanDerWaalsContact C-N 3.34Å; D482-Q484 PolarHBondContact O-N 3.01Å; D482-Q484 PolarHBondContact OD1-N 2.88Å
485T93.8Very high94.2Very high81 Ų8193.1 Ų93.150%0.49743%0.429SS..THydrogen-bonded Turntrans-96.2-16.9-175.8630000113.1D482 K487D482-T485 WeakPolarHBondContact CB-OG1 3.5Å; D482-T485 WeakPolarHBondContact OD1-CB 3.43Å; D482-T485 WeakPolarHBondContact OD1-CG2 3.33Å; D482-T485 PolarHBondContact OD1-N 3.08Å; D482-T485 PolarHBondContact OD1-OG1 3.01Å; T485-K487 PolarHBondContact O-N 3.19Å; T485-K487 PolarHBondContact OG1-N 3.06Å
486G92.2Very high94.3Very high12 Ų1297.1 Ų97.112%0.12444%0.443CS..  trans62.816.1-170.800000113.3K473 D482K473-G486 WeakPolarHBondContact CD-O 3.11Å; K473-G486 VanDerWaalsContact CE-O 3.26Å; K473-G486 WeakPolarHBondContact CE-O 3.39Å; K473-G486 PolarHBondContact NZ-O 2.83Å; D482-G486 WeakPolarHBondContact O-CA 3.38Å; D482-G486 PolarHBondContact O-N 2.86Å
487K94.5Very high94.6Very high145 Ų14593.4 Ų93.463%0.6343%0.425SS*.  trans-96.5154.7-177.3-67.6-178.6-178176.60111.4I481 D482 T485I481-K487 WeakPolarHBondContact CA-O 3.49Å; D482-K487 PolarHBondContact N-O 3.28Å; T485-K487 PolarHBondContact O-N 3.19Å; T485-K487 PolarHBondContact OG1-N 3.06Å
488R94.4Very high94.7Very high187 Ų18793.3 Ų93.371%0.70642%0.419SS*.BIsolated β-bridgetrans-63.2134169.8176.8175.7179.5174.11.8109.6C479 W480 I481C479-R488 HydrophobicContact CB-CG 4.29Å; W480-R488 WeakPolarHBondContact O-CA 3.44Å; I481-R488 HydrophobicContact CD1-CB 4.47Å
489M90.1Very high94.9Very high141 Ų14181.6 Ų81.670%0.69538%0.382SS*.  trans-860172.6-63.4-175.774.800112.6S226 W480 D482S226-M489 WeakPolarHBondContact CB-SD 3.38Å; W480-M489 HydrophobicContact CB-CB 4.09Å; W480-M489 PolarHBondContact O-N 2.77Å; D482-M489 HydrophobicContact CB-CG 3.84Å; D482-M489 HydrophobicContact CB-SD 4.1Å

Retrieved 489 of 489 residues in 107 ms (Link to these results)

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