A0A087Y017_POEFO Loading...

Polyglutamylase complex subunit TTLL1

AlphaFold DB (A0A3B3VED5), UniProt , Accession A0A087Y017, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 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
1M38.8Very low83Confident245 Ų24564 Ų64100%1.20736%0.362SS*.  0112.30-80.9-174.2-95.400106.4G3M1-G3 PolarHBondContact O-N 3.42Å
2A56.4Low83.3Confident91 Ų9173.1 Ų73.175%0.75240%0.399SS*.PPolyproline II helixtrans-60.4134.1172.400000108.3
3G73.4Confident83.8Confident48 Ų4873.5 Ų73.550%0.49540%0.395SS..PPolyproline II helixtrans-61.4145.2178.600000110.8M1M1-G3 PolarHBondContact O-N 3.42Å
4K86.7Confident84.3Confident129 Ų12973.1 Ų73.156%0.56140%0.401SS*.PPolyproline II helixtrans-64.7139.7170-68.4-168173.2-1580109.2K6 V26K4-K6 PolarHBondContact O-N 3.33Å; K4-V26 HydrophobicContact CB-CG2 3.96Å; K4-V26 HydrophobicContact CD-CG2 3.99Å
5V93.3Very high84.8Confident4 Ų468.5 Ų68.52%0.02438%0.376CS..PPolyproline II helixtrans-60.4128.9175176.70000109.7W25 V26 N35 F36 M357 G360 E361V5-W25 HydrophobicContact CB-CD2 3.99Å; V5-W25 HydrophobicContact CB-CG 3.88Å; V5-W25 HydrophobicContact CG1-CD2 3.68Å; V5-W25 HydrophobicContact CG1-CE3 4Å; V5-W25 HydrophobicContact CG1-CG 4.04Å; V5-W25 HydrophobicContact CG1-CH2 4.37Å; V5-W25 HydrophobicContact CG1-CZ2 4.08Å; V5-W25 HydrophobicContact CG1-CZ3 4.34Å; V5-W25 WeakPolarHBondContact O-CA 3.46Å; V5-W25 WeakPolarHBondContact O-CB 3.47Å; V5-V26 PolarHBondContact O-N 3.21Å; V5-N35 HydrophobicContact CG1-CB 4.14Å; V5-F36 HydrophobicContact CG1-CB 4.4Å; V5-M357 HydrophobicContact CG1-CE 4.2Å; V5-M357 HydrophobicContact CG2-CE 4.22Å; V5-G360 WeakPolarHBondContact CG2-O 3.26Å; V5-E361 VanDerWaalsContact CG2-C 3.46Å; V5-E361 WeakPolarHBondContact CG2-O 3.38Å
6K95.4Very high85.3Confident68 Ų6864.3 Ų64.330%0.29635%0.352SS..EExtended strand (participates in β ladder)trans-98.9131.1175.3-58.9172.6-169.3168.90110K4 V26 V28 D33 N35 F36K4-K6 PolarHBondContact O-N 3.33Å; K6-V26 CarbonylContact C-O 3.56Å; K6-V26 VanDerWaalsContact CA-O 3.25Å; K6-V26 WeakPolarHBondContact CA-O 3.32Å; K6-V28 HydrophobicContact CB-CG1 3.98Å; K6-V28 HydrophobicContact CB-CG2 3.97Å; K6-V28 HydrophobicContact CD-CG1 4.16Å; K6-V28 HydrophobicContact CG-CG1 4.12Å; K6-D33 WeakPolarHBondContact CD-O 3.43Å; K6-D33 IonicContact NZ-OD2 2.73Å; K6-D33 PolarHBondContact NZ-OD2 2.8Å; K6-N35 PolarHBondContact N-OD1 3.43Å; K6-N35 PolarHBondContact O-N 3.35Å; K6-F36 PolarHBondContact O-N 3.18Å
7W95.6Very high85.8Confident3 Ų362.9 Ų62.91%0.01134%0.344CS..EExtended strand (participates in β ladder)trans-123.7150.1-176.470.1-84000113.7T9 I17 F20 W25 V26 Q27 V28 F36W7-T9 HydrophobicContact CE3-CG2 4.4Å; W7-T9 HydrophobicContact CZ3-CG2 3.7Å; W7-I17 HydrophobicContact CH2-CG1 4.17Å; W7-I17 HydrophobicContact CH2-CG2 4.28Å; W7-F20 HydrophobicContact CD2-CB 3.81Å; W7-F20 AromaticContact CD2-CD2 3.48Å; W7-F20 HydrophobicContact CD2-CD2 3.48Å; W7-F20 VanDerWaalsContact CD2-CD2 3.48Å; W7-F20 HydrophobicContact CD2-CE2 4.28Å; W7-F20 AromaticContact CD2-CG 3.87Å; W7-F20 HydrophobicContact CD2-CG 3.87Å; W7-F20 AromaticContact CE2-CD2 3.92Å; W7-F20 AromaticContact CE3-CD2 3.31Å; W7-F20 HydrophobicContact CE3-CD2 3.31Å; W7-F20 AromaticContact CE3-CE2 3.75Å; W7-F20 HydrophobicContact CE3-CE2 3.75Å; W7-F20 HydrophobicContact CE3-CG 4.17Å; W7-F20 HydrophobicContact CG-CB 3.98Å; W7-F20 HydrophobicContact CG-CD2 4.13Å; W7-F20 HydrophobicContact CG-CG 4.11Å; W7-F20 HydrophobicContact CH2-CD2 4.03Å; W7-F20 HydrophobicContact CZ2-CB 4.12Å; W7-F20 HydrophobicContact CZ2-CD2 4.16Å; W7-F20 AromaticContact CZ3-CD2 3.62Å; W7-F20 HydrophobicContact CZ3-CD2 3.62Å; W7-F20 HydrophobicContact CZ3-CE2 4.07Å; W7-W25 HydrophobicContact CB-CE3 4.02Å; W7-W25 HydrophobicContact CG-CB 4.29Å; W7-W25 HydrophobicContact CG-CE3 4.39Å; W7-W25 PolarHBondContact NE1-O 3.06Å; W7-V26 PolarHBondContact N-O 3.16Å; W7-Q27 HydrophobicContact CD2-CB 4.29Å; W7-Q27 HydrophobicContact CD2-CG 4.23Å; W7-Q27 HydrophobicContact CE3-CG 4.22Å; W7-Q27 HydrophobicContact CH2-CB 4.04Å; W7-Q27 HydrophobicContact CH2-CG 3.54Å; W7-Q27 HydrophobicContact CZ2-CB 3.48Å; W7-Q27 VanDerWaalsContact CZ2-CB 3.48Å; W7-Q27 HydrophobicContact CZ2-CG 3.54Å; W7-Q27 HydrophobicContact CZ3-CG 3.87Å; W7-V28 PolarHBondContact O-N 3.22Å; W7-F36 CarbonylContact C-O 3.49Å; W7-F36 WeakPolarHBondContact CA-O 3.42Å; W7-F36 HydrophobicContact CB-CB 4.48Å
8V95.7Very high86.3Confident7 Ų763.7 Ų63.74%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-132.8145.6176.7-172.10000109.1V28 E30 W34 F36 Y37 W38V8-V28 HydrophobicContact CG2-CG2 3.59Å; V8-E30 HydrophobicContact CG1-CB 4.23Å; V8-W34 HydrophobicContact CG2-CB 3.59Å; V8-W34 HydrophobicContact CG2-CG 3.89Å; V8-F36 PolarHBondContact N-O 2.93Å; V8-Y37 HydrophobicContact CB-CD1 4.04Å; V8-Y37 HydrophobicContact CB-CD2 3.85Å; V8-Y37 HydrophobicContact CB-CE1 4.31Å; V8-Y37 HydrophobicContact CB-CE2 4.15Å; V8-Y37 HydrophobicContact CB-CG 3.82Å; V8-Y37 HydrophobicContact CG1-CD1 4.05Å; V8-Y37 HydrophobicContact CG1-CD2 3.91Å; V8-Y37 HydrophobicContact CG1-CE1 3.79Å; V8-Y37 HydrophobicContact CG1-CE2 3.66Å; V8-Y37 HydrophobicContact CG1-CG 4.13Å; V8-Y37 WeakPolarHBondContact O-CA 3.34Å; V8-Y37 WeakPolarHBondContact O-CD2 3.38Å; V8-W38 PolarHBondContact O-N 3.34Å
9T94.9Very high86.7Confident22 Ų2260.3 Ų60.314%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-148.3141.3164.8-166.40000110.5W7 I11 W38W7-T9 HydrophobicContact CE3-CG2 4.4Å; W7-T9 HydrophobicContact CZ3-CG2 3.7Å; T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 WeakPolarHBondContact CG2-O 3.41Å; T9-I11 PolarHBondContact OG1-N 3.01Å; T9-I11 VanDerWaalsContact OG1-N 3.14Å; T9-I11 PolarHBondContact OG1-O 2.97Å; T9-W38 WeakPolarHBondContact CA-O 3.3Å; T9-W38 WeakPolarHBondContact CB-O 3.22Å; T9-W38 PolarHBondContact OG1-O 3.45Å
10D93Very high87.1Confident58 Ų5857.3 Ų57.331%0.3131%0.313SS..SBendtrans-96.57.6168.463.6-17.2000111.1Y37 M39 S40 T43D10-Y37 HydrophobicContact CB-CE2 4.39Å; D10-M39 VanDerWaalsContact OD1-C 3.27Å; D10-M39 VanDerWaalsContact OD1-CA 3.32Å; D10-M39 WeakPolarHBondContact OD1-CA 3.43Å; D10-S40 VanDerWaalsContact CG-N 3.31Å; D10-S40 PolarHBondContact OD1-N 3.15Å; D10-S40 WeakPolarHBondContact OD2-CB 3.4Å; D10-S40 PolarHBondContact OD2-N 2.87Å; D10-S40 PolarHBondContact OD2-OG 3.41Å; D10-T43 WeakPolarHBondContact OD2-CB 3.35Å; D10-T43 PolarHBondContact OD2-OG1 3.37Å
11I89.9Confident87.4Confident29 Ų2959.9 Ų59.915%0.14932%0.323CS..SBendtrans-115.8100179.5-65.5163.9000109.3T9 K13 L16T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 WeakPolarHBondContact CG2-O 3.41Å; T9-I11 PolarHBondContact OG1-N 3.01Å; T9-I11 VanDerWaalsContact OG1-N 3.14Å; T9-I11 PolarHBondContact OG1-O 2.97Å; I11-K13 HydrophobicContact CG2-CB 4.25Å; I11-K13 HydrophobicContact CG2-CG 3.42Å; I11-K13 VanDerWaalsContact CG2-CG 3.42Å; I11-K13 PolarHBondContact O-N 3.06Å; I11-L16 HydrophobicContact CB-CD1 4.19Å; I11-L16 HydrophobicContact CG2-CD1 3.96Å
12E86.6Confident90Very high173 Ų17354.6 Ų54.681%0.80829%0.293SS*.  trans-73.988.1175.3-66.4-176.7178.900111.2
13K90.2Very high91.7Very high78 Ų7852.6 Ų52.634%0.33927%0.266SS..  trans-131.6125173.9-61.8-67.3166.5-142.70110I11 V15 L16 I17 L334I11-K13 HydrophobicContact CG2-CB 4.25Å; I11-K13 HydrophobicContact CG2-CG 3.42Å; I11-K13 VanDerWaalsContact CG2-CG 3.42Å; I11-K13 PolarHBondContact O-N 3.06Å; K13-V15 HydrophobicContact CB-CG2 4.26Å; K13-V15 PolarHBondContact O-N 3.4Å; K13-V15 VanDerWaalsContact O-N 3.13Å; K13-L16 HydrophobicContact CB-CD1 4.28Å; K13-L16 HydrophobicContact CB-CG 4.32Å; K13-L16 WeakPolarHBondContact O-CB 3.43Å; K13-L16 PolarHBondContact O-N 2.84Å; K13-I17 PolarHBondContact O-N 3.31Å; K13-I17 VanDerWaalsContact O-N 3.16Å; K13-L334 HydrophobicContact CB-CB 4.5Å; K13-L334 HydrophobicContact CG-CB 4.26Å
14S90.9Very high92.6Very high69 Ų6956.9 Ų56.948%0.48327%0.273SS..Hα-helixtrans-55.7-33.4179.8550000113.5L16 N18S14-L16 PolarHBondContact O-N 3.21Å; S14-N18 WeakPolarHBondContact O-CB 3.49Å; S14-N18 PolarHBondContact O-N 3.38Å; S14-N18 PolarHBondContact O-OD1 2.81Å; S14-N18 VanDerWaalsContact O-OD1 3.06Å
15V91.4Very high93Very high4 Ų451.4 Ų51.42%0.02425%0.249CC..Hα-helixtrans-65.5-25.6176.9-61.30000113.6K13 N19 L334 R342 K345K13-V15 HydrophobicContact CB-CG2 4.26Å; K13-V15 PolarHBondContact O-N 3.4Å; K13-V15 VanDerWaalsContact O-N 3.13Å; V15-N19 PolarHBondContact O-ND2 3.33Å; V15-L334 HydrophobicContact CG2-CB 3.85Å; V15-L334 HydrophobicContact CG2-CD1 4.22Å; V15-L334 HydrophobicContact CG2-CG 4.43Å; V15-R342 HydrophobicContact CG1-CG 4.48Å; V15-K345 HydrophobicContact CG1-CB 4.36Å
16L93.3Very high93Very high0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-81.8-56.3173.8-65176.2000109.9I11 K13 S14 N18 N19 F20 W38 L334 I349I11-L16 HydrophobicContact CB-CD1 4.19Å; I11-L16 HydrophobicContact CG2-CD1 3.96Å; K13-L16 HydrophobicContact CB-CD1 4.28Å; K13-L16 HydrophobicContact CB-CG 4.32Å; K13-L16 WeakPolarHBondContact O-CB 3.43Å; K13-L16 PolarHBondContact O-N 2.84Å; S14-L16 PolarHBondContact O-N 3.21Å; L16-N18 PolarHBondContact O-N 2.78Å; L16-N19 WeakPolarHBondContact O-CA 3.48Å; L16-N19 VanDerWaalsContact O-CB 3.31Å; L16-N19 WeakPolarHBondContact O-CB 3.45Å; L16-N19 PolarHBondContact O-N 3.39Å; L16-F20 HydrophobicContact CB-CE2 3.81Å; L16-F20 HydrophobicContact CB-CZ 4.08Å; L16-F20 HydrophobicContact CD2-CZ 4.36Å; L16-F20 WeakPolarHBondContact O-CD2 3.35Å; L16-F20 WeakPolarHBondContact O-CG 3.38Å; L16-F20 PolarHBondContact O-N 2.84Å; L16-W38 HydrophobicContact CD1-CD2 4.22Å; L16-W38 HydrophobicContact CD1-CG 3.86Å; L16-W38 HydrophobicContact CD2-CD2 3.59Å; L16-W38 HydrophobicContact CD2-CE3 3.89Å; L16-W38 HydrophobicContact CD2-CG 4.08Å; L16-W38 HydrophobicContact CD2-CH2 4.21Å; L16-W38 HydrophobicContact CD2-CZ2 3.9Å; L16-W38 HydrophobicContact CD2-CZ3 4.19Å; L16-L334 HydrophobicContact CD1-CD1 3.87Å; L16-L334 HydrophobicContact CD2-CD1 3.69Å; L16-L334 HydrophobicContact CG-CD1 3.72Å; L16-I349 HydrophobicContact CD2-CD1 3.84Å; L16-I349 HydrophobicContact CD2-CG1 4.01Å; L16-I349 HydrophobicContact CD2-CG2 3.89Å
17I93.8Very high93Very high42 Ų4256.9 Ų56.922%0.21528%0.28CS..Hα-helixtrans-55.9-50.7-176-60.9171.1000110.6W7 K13 N19 F20 E21W7-I17 HydrophobicContact CH2-CG1 4.17Å; W7-I17 HydrophobicContact CH2-CG2 4.28Å; K13-I17 PolarHBondContact O-N 3.31Å; K13-I17 VanDerWaalsContact O-N 3.16Å; I17-N19 PolarHBondContact O-N 2.88Å; I17-N19 VanDerWaalsContact O-N 3.12Å; I17-F20 PolarHBondContact O-N 2.85Å; I17-E21 HydrophobicContact CG2-CG 4.13Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.47Å; I17-E21 WeakPolarHBondContact O-CG 3.44Å; I17-E21 PolarHBondContact O-N 3.06Å
18N94.1Very high93Very high76 Ų7657.9 Ų57.941%0.40629%0.286SS..Hα-helixtrans-62.7-24.9179.4-62.513.9000112.9S14 L16 K22 Y346S14-N18 WeakPolarHBondContact O-CB 3.49Å; S14-N18 PolarHBondContact O-N 3.38Å; S14-N18 PolarHBondContact O-OD1 2.81Å; S14-N18 VanDerWaalsContact O-OD1 3.06Å; L16-N18 PolarHBondContact O-N 2.78Å; N18-K22 VanDerWaalsContact O-CB 3.22Å; N18-K22 WeakPolarHBondContact O-CB 3.33Å; N18-K22 PolarHBondContact O-N 2.73Å; N18-Y346 HydrophobicContact CB-CD2 4.41Å; N18-Y346 HydrophobicContact CB-CE2 3.8Å
19N94.8Very high92.9Very high0 Ų061.2 Ų61.20%031%0.307CS..Hα-helixtrans-77.6-36.6175.6-100.5-66.3000111.8V15 L16 I17 R23 Y346 I349 N350 L353V15-N19 PolarHBondContact O-ND2 3.33Å; L16-N19 WeakPolarHBondContact O-CA 3.48Å; L16-N19 VanDerWaalsContact O-CB 3.31Å; L16-N19 WeakPolarHBondContact O-CB 3.45Å; L16-N19 PolarHBondContact O-N 3.39Å; I17-N19 PolarHBondContact O-N 2.88Å; I17-N19 VanDerWaalsContact O-N 3.12Å; N19-R23 WeakPolarHBondContact O-CD 3.47Å; N19-R23 WeakPolarHBondContact O-CG 3.31Å; N19-R23 PolarHBondContact O-NH1 3.37Å; N19-R23 PolarHBondContact OD1-NH1 3.02Å; N19-Y346 VanDerWaalsContact ND2-CD2 3.34Å; N19-Y346 WeakPolarHBondContact ND2-CD2 3.32Å; N19-Y346 WeakPolarHBondContact ND2-CE2 3.37Å; N19-Y346 PolarHBondContact ND2-O 3.17Å; N19-I349 HydrophobicContact CB-CG2 3.92Å; N19-N350 VanDerWaalsContact OD1-CA 3.23Å; N19-N350 WeakPolarHBondContact OD1-CA 2.94Å; N19-N350 WeakPolarHBondContact OD1-CB 3.17Å; N19-L353 HydrophobicContact CB-CD1 3.96Å
20F94.3Very high92.5Very high0 Ų065.6 Ų65.60%033%0.326CS..Hα-helixtrans-72.4-45.6176.2-52.9-36.8000111.2W7 L16 I17 K22 R23 E24 W25 F36 W38 L353W7-F20 HydrophobicContact CD2-CB 3.81Å; W7-F20 AromaticContact CD2-CD2 3.48Å; W7-F20 HydrophobicContact CD2-CD2 3.48Å; W7-F20 VanDerWaalsContact CD2-CD2 3.48Å; W7-F20 HydrophobicContact CD2-CE2 4.28Å; W7-F20 AromaticContact CD2-CG 3.87Å; W7-F20 HydrophobicContact CD2-CG 3.87Å; W7-F20 AromaticContact CE2-CD2 3.92Å; W7-F20 AromaticContact CE3-CD2 3.31Å; W7-F20 HydrophobicContact CE3-CD2 3.31Å; W7-F20 AromaticContact CE3-CE2 3.75Å; W7-F20 HydrophobicContact CE3-CE2 3.75Å; W7-F20 HydrophobicContact CE3-CG 4.17Å; W7-F20 HydrophobicContact CG-CB 3.98Å; W7-F20 HydrophobicContact CG-CD2 4.13Å; W7-F20 HydrophobicContact CG-CG 4.11Å; W7-F20 HydrophobicContact CH2-CD2 4.03Å; W7-F20 HydrophobicContact CZ2-CB 4.12Å; W7-F20 HydrophobicContact CZ2-CD2 4.16Å; W7-F20 AromaticContact CZ3-CD2 3.62Å; W7-F20 HydrophobicContact CZ3-CD2 3.62Å; W7-F20 HydrophobicContact CZ3-CE2 4.07Å; L16-F20 HydrophobicContact CB-CE2 3.81Å; L16-F20 HydrophobicContact CB-CZ 4.08Å; L16-F20 HydrophobicContact CD2-CZ 4.36Å; L16-F20 WeakPolarHBondContact O-CD2 3.35Å; L16-F20 WeakPolarHBondContact O-CG 3.38Å; L16-F20 PolarHBondContact O-N 2.84Å; I17-F20 PolarHBondContact O-N 2.85Å; F20-K22 PolarHBondContact O-N 3.12Å; F20-R23 WeakPolarHBondContact O-CB 3.34Å; F20-R23 PolarHBondContact O-N 3.36Å; F20-E24 PolarHBondContact O-N 3.1Å; F20-W25 HydrophobicContact CB-CE3 4.24Å; F20-W25 AromaticContact CD1-CE3 3.71Å; F20-W25 HydrophobicContact CD1-CE3 3.71Å; F20-W25 AromaticContact CD1-CZ3 3.73Å; F20-W25 HydrophobicContact CD1-CZ3 3.73Å; F20-W25 HydrophobicContact CE1-CE3 4.47Å; F20-W25 HydrophobicContact CE1-CZ3 4.08Å; F20-W25 HydrophobicContact CG-CE3 4.24Å; F20-W25 PolarHBondContact O-N 3.21Å; F20-F36 HydrophobicContact CE1-CD1 4.09Å; F20-F36 AromaticContact CE1-CE1 3.57Å; F20-F36 HydrophobicContact CE1-CE1 3.57Å; F20-F36 HydrophobicContact CE1-CZ 4.41Å; F20-F36 HydrophobicContact CZ-CD1 4.28Å; F20-F36 AromaticContact CZ-CE1 3.7Å; F20-F36 HydrophobicContact CZ-CE1 3.7Å; F20-W38 HydrophobicContact CZ-CB 4.05Å; F20-W38 HydrophobicContact CZ-CE3 4.23Å; F20-L353 HydrophobicContact CD1-CD1 3.92Å; F20-L353 HydrophobicContact CE1-CD1 3.75Å; F20-L353 HydrophobicContact CE1-CD2 4.12Å
21E92.9Very high92.2Very high112 Ų11269.9 Ų69.952%0.52335%0.349SS..Hα-helixtrans-60.8-42.5177.1-71176.416500112.3I17 R23 E24I17-E21 HydrophobicContact CG2-CG 4.13Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.47Å; I17-E21 WeakPolarHBondContact O-CG 3.44Å; I17-E21 PolarHBondContact O-N 3.06Å; E21-R23 PolarHBondContact O-N 2.77Å; E21-E24 WeakPolarHBondContact O-CA 3.48Å; E21-E24 PolarHBondContact O-N 3.34Å
22K93.3Very high92.3Very high134 Ų13473.5 Ų73.558%0.58337%0.365SS*.Hα-helixtrans-60.9-25.4176.3179.9177.7174.5-169.80112.9N18 F20 E24 Y346N18-K22 VanDerWaalsContact O-CB 3.22Å; N18-K22 WeakPolarHBondContact O-CB 3.33Å; N18-K22 PolarHBondContact O-N 2.73Å; F20-K22 PolarHBondContact O-N 3.12Å; K22-E24 VanDerWaalsContact C-N 3.27Å; K22-Y346 WeakPolarHBondContact CD-OH 3.35Å
23R92.3Very high92.5Very high48 Ų4869.9 Ų69.918%0.18135%0.351CS..THydrogen-bonded Turntrans-88.74.3176.1-69.4170.5172.166.19.1112.6N19 F20 E21 W25 N350 N354N19-R23 WeakPolarHBondContact O-CD 3.47Å; N19-R23 WeakPolarHBondContact O-CG 3.31Å; N19-R23 PolarHBondContact O-NH1 3.37Å; N19-R23 PolarHBondContact OD1-NH1 3.02Å; F20-R23 WeakPolarHBondContact O-CB 3.34Å; F20-R23 PolarHBondContact O-N 3.36Å; E21-R23 PolarHBondContact O-N 2.77Å; R23-W25 HydrophobicContact CB-CD2 4.2Å; R23-W25 HydrophobicContact CB-CG 3.95Å; R23-W25 VanDerWaalsContact O-CD1 3.25Å; R23-W25 PolarHBondContact O-N 3.47Å; R23-N350 PolarHBondContact NH1-OD1 3.05Å; R23-N350 PolarHBondContact NH2-O 2.79Å; R23-N350 PolarHBondContact NH2-OD1 3.28Å; R23-N354 PolarHBondContact NH2-OD1 2.86Å
24E93.1Very high92.7Very high138 Ų13866.6 Ų66.665%0.64534%0.337SS*.THydrogen-bonded Turntrans56.827.3-175.6-51.1-173.2168.600113.5F20 E21 K22F20-E24 PolarHBondContact O-N 3.1Å; E21-E24 WeakPolarHBondContact O-CA 3.48Å; E21-E24 PolarHBondContact O-N 3.34Å; K22-E24 VanDerWaalsContact C-N 3.27Å
25W93.9Very high92.9Very high15 Ų1563.6 Ų63.66%0.05732%0.315CS..PPolyproline II helixtrans-73.9145.5175.4-65.1-1.8000110.6V5 W7 F20 R23 F36 L353 M357V5-W25 HydrophobicContact CB-CD2 3.99Å; V5-W25 HydrophobicContact CB-CG 3.88Å; V5-W25 HydrophobicContact CG1-CD2 3.68Å; V5-W25 HydrophobicContact CG1-CE3 4Å; V5-W25 HydrophobicContact CG1-CG 4.04Å; V5-W25 HydrophobicContact CG1-CH2 4.37Å; V5-W25 HydrophobicContact CG1-CZ2 4.08Å; V5-W25 HydrophobicContact CG1-CZ3 4.34Å; V5-W25 WeakPolarHBondContact O-CA 3.46Å; V5-W25 WeakPolarHBondContact O-CB 3.47Å; W7-W25 HydrophobicContact CB-CE3 4.02Å; W7-W25 HydrophobicContact CG-CB 4.29Å; W7-W25 HydrophobicContact CG-CE3 4.39Å; W7-W25 PolarHBondContact NE1-O 3.06Å; F20-W25 HydrophobicContact CB-CE3 4.24Å; F20-W25 AromaticContact CD1-CE3 3.71Å; F20-W25 HydrophobicContact CD1-CE3 3.71Å; F20-W25 AromaticContact CD1-CZ3 3.73Å; F20-W25 HydrophobicContact CD1-CZ3 3.73Å; F20-W25 HydrophobicContact CE1-CE3 4.47Å; F20-W25 HydrophobicContact CE1-CZ3 4.08Å; F20-W25 HydrophobicContact CG-CE3 4.24Å; F20-W25 PolarHBondContact O-N 3.21Å; R23-W25 HydrophobicContact CB-CD2 4.2Å; R23-W25 HydrophobicContact CB-CG 3.95Å; R23-W25 VanDerWaalsContact O-CD1 3.25Å; R23-W25 PolarHBondContact O-N 3.47Å; W25-F36 HydrophobicContact CH2-CD2 4.3Å; W25-F36 HydrophobicContact CH2-CG 4.2Å; W25-F36 HydrophobicContact CZ3-CB 4.03Å; W25-F36 AromaticContact CZ3-CD1 3.72Å; W25-F36 HydrophobicContact CZ3-CD1 3.72Å; W25-F36 HydrophobicContact CZ3-CD2 4.26Å; W25-F36 HydrophobicContact CZ3-CE1 4.23Å; W25-F36 AromaticContact CZ3-CG 3.73Å; W25-F36 HydrophobicContact CZ3-CG 3.73Å; W25-L353 HydrophobicContact CH2-CD2 4.21Å; W25-L353 HydrophobicContact CZ3-CD2 4.41Å; W25-M357 HydrophobicContact CH2-CB 4.25Å; W25-M357 HydrophobicContact CH2-CE 4.16Å; W25-M357 HydrophobicContact CH2-CG 4.08Å; W25-M357 HydrophobicContact CZ2-CB 4.22Å; W25-M357 HydrophobicContact CZ2-CE 4.01Å; W25-M357 HydrophobicContact CZ2-CG 4.43Å
26V94.6Very high93.1Very high67 Ų6763.4 Ų63.441%0.40631%0.314SS..EExtended strand (participates in β ladder)trans-92.1122.9-175.7-178.50000109.7K4 V5 K6 W7 V28K4-V26 HydrophobicContact CB-CG2 3.96Å; K4-V26 HydrophobicContact CD-CG2 3.99Å; V5-V26 PolarHBondContact O-N 3.21Å; K6-V26 CarbonylContact C-O 3.56Å; K6-V26 VanDerWaalsContact CA-O 3.25Å; K6-V26 WeakPolarHBondContact CA-O 3.32Å; W7-V26 PolarHBondContact N-O 3.16Å; V26-V28 HydrophobicContact CG1-CG1 4.39Å
27Q95.4Very high93.2Very high119 Ų11963.8 Ų63.856%0.55632%0.316SS*.EExtended strand (participates in β ladder)trans-72.4132.2174.3-167.6174.36.500109.7W7W7-Q27 HydrophobicContact CD2-CB 4.29Å; W7-Q27 HydrophobicContact CD2-CG 4.23Å; W7-Q27 HydrophobicContact CE3-CG 4.22Å; W7-Q27 HydrophobicContact CH2-CB 4.04Å; W7-Q27 HydrophobicContact CH2-CG 3.54Å; W7-Q27 HydrophobicContact CZ2-CB 3.48Å; W7-Q27 VanDerWaalsContact CZ2-CB 3.48Å; W7-Q27 HydrophobicContact CZ2-CG 3.54Å; W7-Q27 HydrophobicContact CZ3-CG 3.87Å
28V95.7Very high93.2Very high24 Ų2462.3 Ų62.315%0.14531%0.307CS..  trans-130170.9173.5-59.40000110.2K6 W7 V8 V26 E32 W34K6-V28 HydrophobicContact CB-CG1 3.98Å; K6-V28 HydrophobicContact CB-CG2 3.97Å; K6-V28 HydrophobicContact CD-CG1 4.16Å; K6-V28 HydrophobicContact CG-CG1 4.12Å; W7-V28 PolarHBondContact O-N 3.22Å; V8-V28 HydrophobicContact CG2-CG2 3.59Å; V26-V28 HydrophobicContact CG1-CG1 4.39Å; V28-E32 HydrophobicContact CB-CB 4.19Å; V28-W34 HydrophobicContact CG2-CB 3.8Å
29T92.3Very high93.2Very high78 Ų7858.7 Ų58.748%0.47929%0.288SS..  trans-87.6161.7174.564.70000111.4N31 E32T29-N31 PolarHBondContact O-N 3.41Å; T29-E32 PolarHBondContact N-OE2 3.3Å; T29-E32 PolarHBondContact O-N 2.91Å; T29-E32 VanDerWaalsContact O-N 3.13Å; T29-E32 WeakPolarHBondContact OG1-CG 3.48Å; T29-E32 PolarHBondContact OG1-OE2 3.32Å
30E86.5Confident93.2Very high114 Ų11460.1 Ų60.153%0.53330%0.298SS..THydrogen-bonded Turntrans-64.6-18.5-179.364-177.1-176.500114.6V8 Y37V8-E30 HydrophobicContact CG1-CB 4.23Å; E30-Y37 HydrophobicContact CB-CE1 4.14Å; E30-Y37 PolarHBondContact OE2-OH 3.17Å
31N86.8Confident93Very high147 Ų14762.7 Ų62.779%0.78631%0.311SS*.THydrogen-bonded Turntrans-88.5-9178.3-63.6-46.9000113T29T29-N31 PolarHBondContact O-N 3.41Å
32E91.4Very high92.8Very high106 Ų10662.5 Ų62.550%0.49531%0.31SS..SBendtrans-92.8169.2177.8-70.7172121.100111V28 T29 W34V28-E32 HydrophobicContact CB-CB 4.19Å; T29-E32 PolarHBondContact N-OE2 3.3Å; T29-E32 PolarHBondContact O-N 2.91Å; T29-E32 VanDerWaalsContact O-N 3.13Å; T29-E32 WeakPolarHBondContact OG1-CG 3.48Å; T29-E32 PolarHBondContact OG1-OE2 3.32Å; E32-W34 VanDerWaalsContact O-CD1 3.23Å; E32-W34 PolarHBondContact O-N 3.36Å
33D91.8Very high92.7Very high96 Ų9657.5 Ų57.551%0.51329%0.291SS..  trans-67.6121.6170.6173.652.6000110.1K6K6-D33 WeakPolarHBondContact CD-O 3.43Å; K6-D33 IonicContact NZ-OD2 2.73Å; K6-D33 PolarHBondContact NZ-OD2 2.8Å
34W94.4Very high92.6Very high10 Ų1055.2 Ų55.24%0.03828%0.282CS..  trans-132.5153.6-176.459-100.2000111.5V8 V28 E32 Y37 M39 Y54 L56 Q60 V62V8-W34 HydrophobicContact CG2-CB 3.59Å; V8-W34 HydrophobicContact CG2-CG 3.89Å; V28-W34 HydrophobicContact CG2-CB 3.8Å; E32-W34 VanDerWaalsContact O-CD1 3.23Å; E32-W34 PolarHBondContact O-N 3.36Å; W34-Y37 HydrophobicContact CD2-CD1 4.42Å; W34-Y37 HydrophobicContact CH2-CD1 4.42Å; W34-Y37 HydrophobicContact CZ2-CD1 4.04Å; W34-M39 HydrophobicContact CH2-CE 4.11Å; W34-M39 HydrophobicContact CZ2-CE 4.19Å; W34-Y54 HydrophobicContact CZ2-CE1 4.36Å; W34-Y54 WeakPolarHBondContact CZ2-OH 3.41Å; W34-L56 HydrophobicContact CH2-CD2 3.43Å; W34-L56 VanDerWaalsContact CH2-CD2 3.43Å; W34-L56 HydrophobicContact CZ2-CD2 4.07Å; W34-L56 HydrophobicContact CZ3-CD2 4.38Å; W34-Q60 HydrophobicContact CD2-CG 4.39Å; W34-Q60 VanDerWaalsContact CE2-NE2 3.26Å; W34-Q60 HydrophobicContact CE3-CB 4.39Å; W34-Q60 HydrophobicContact CE3-CG 3.82Å; W34-Q60 HydrophobicContact CH2-CB 4.05Å; W34-Q60 HydrophobicContact CH2-CG 3.95Å; W34-Q60 HydrophobicContact CZ2-CG 4.49Å; W34-Q60 VanDerWaalsContact CZ2-NE2 3.35Å; W34-Q60 HydrophobicContact CZ3-CB 3.7Å; W34-Q60 HydrophobicContact CZ3-CG 3.58Å; W34-Q60 VanDerWaalsContact O-CG 3.31Å; W34-Q60 WeakPolarHBondContact O-CG 3.18Å; W34-Q60 PolarHBondContact O-NE2 3.12Å; W34-V62 HydrophobicContact CH2-CG1 3.86Å; W34-V62 HydrophobicContact CZ3-CG1 4.16Å
35N94.8Very high92.3Very high6 Ų655.1 Ų55.13%0.03228%0.276CS..SBendtrans-108.3-36.9179.6-54.3115.3000112.5V5 K6 E59 Q60 L61 P363V5-N35 HydrophobicContact CG1-CB 4.14Å; K6-N35 PolarHBondContact N-OD1 3.43Å; K6-N35 PolarHBondContact O-N 3.35Å; N35-E59 WeakPolarHBondContact CA-O 3.36Å; N35-E59 PolarHBondContact ND2-O 3.5Å; N35-Q60 CarbonylContact O-C 3.5Å; N35-Q60 VanDerWaalsContact O-CA 3.28Å; N35-Q60 WeakPolarHBondContact O-CA 3.3Å; N35-L61 PolarHBondContact O-N 2.8Å; N35-P363 HydrophobicContact CB-CG 4.17Å
36F94.9Very high92Very high0 Ų058.3 Ų58.30%029%0.294CS..EExtended strand (participates in β ladder)trans-128.2120-177.5-175.2-89.7000111.2V5 K6 W7 V8 F20 W25 W38 L61 F308 L353 V356 M357V5-F36 HydrophobicContact CG1-CB 4.4Å; K6-F36 PolarHBondContact O-N 3.18Å; W7-F36 CarbonylContact C-O 3.49Å; W7-F36 WeakPolarHBondContact CA-O 3.42Å; W7-F36 HydrophobicContact CB-CB 4.48Å; V8-F36 PolarHBondContact N-O 2.93Å; F20-F36 HydrophobicContact CE1-CD1 4.09Å; F20-F36 AromaticContact CE1-CE1 3.57Å; F20-F36 HydrophobicContact CE1-CE1 3.57Å; F20-F36 HydrophobicContact CE1-CZ 4.41Å; F20-F36 HydrophobicContact CZ-CD1 4.28Å; F20-F36 AromaticContact CZ-CE1 3.7Å; F20-F36 HydrophobicContact CZ-CE1 3.7Å; W25-F36 HydrophobicContact CH2-CD2 4.3Å; W25-F36 HydrophobicContact CH2-CG 4.2Å; W25-F36 HydrophobicContact CZ3-CB 4.03Å; W25-F36 AromaticContact CZ3-CD1 3.72Å; W25-F36 HydrophobicContact CZ3-CD1 3.72Å; W25-F36 HydrophobicContact CZ3-CD2 4.26Å; W25-F36 HydrophobicContact CZ3-CE1 4.23Å; W25-F36 AromaticContact CZ3-CG 3.73Å; W25-F36 HydrophobicContact CZ3-CG 3.73Å; F36-W38 HydrophobicContact CE1-CB 4.08Å; F36-W38 AromaticContact CE1-CE3 3.85Å; F36-W38 HydrophobicContact CE1-CE3 3.85Å; F36-W38 AromaticContact CZ-CE3 3.71Å; F36-W38 HydrophobicContact CZ-CE3 3.71Å; F36-W38 HydrophobicContact CZ-CZ3 4.24Å; F36-L61 HydrophobicContact CD2-CB 4.17Å; F36-L61 HydrophobicContact CD2-CD2 3.99Å; F36-L61 HydrophobicContact CD2-CG 4.46Å; F36-L61 HydrophobicContact CE2-CD2 3.94Å; F36-F308 AromaticContact CE2-CE1 3.74Å; F36-F308 HydrophobicContact CE2-CE1 3.74Å; F36-F308 AromaticContact CE2-CZ 3.95Å; F36-F308 HydrophobicContact CE2-CZ 3.95Å; F36-F308 HydrophobicContact CZ-CE1 4.14Å; F36-F308 AromaticContact CZ-CZ 3.91Å; F36-F308 HydrophobicContact CZ-CZ 3.91Å; F36-L353 HydrophobicContact CE1-CD2 4.02Å; F36-L353 HydrophobicContact CE2-CD2 3.86Å; F36-L353 HydrophobicContact CZ-CD2 3.41Å; F36-L353 VanDerWaalsContact CZ-CD2 3.41Å; F36-V356 HydrophobicContact CE2-CG2 4.43Å; F36-M357 HydrophobicContact CD2-CG 4.2Å; F36-M357 HydrophobicContact CE2-CG 4.41Å
37Y95.2Very high91.7Very high8 Ų856.3 Ų56.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-120.2110.5176.6-162.4160.1000110.2V8 D10 E30 W34 M39 L61 V62 N63V8-Y37 HydrophobicContact CB-CD1 4.04Å; V8-Y37 HydrophobicContact CB-CD2 3.85Å; V8-Y37 HydrophobicContact CB-CE1 4.31Å; V8-Y37 HydrophobicContact CB-CE2 4.15Å; V8-Y37 HydrophobicContact CB-CG 3.82Å; V8-Y37 HydrophobicContact CG1-CD1 4.05Å; V8-Y37 HydrophobicContact CG1-CD2 3.91Å; V8-Y37 HydrophobicContact CG1-CE1 3.79Å; V8-Y37 HydrophobicContact CG1-CE2 3.66Å; V8-Y37 HydrophobicContact CG1-CG 4.13Å; V8-Y37 WeakPolarHBondContact O-CA 3.34Å; V8-Y37 WeakPolarHBondContact O-CD2 3.38Å; D10-Y37 HydrophobicContact CB-CE2 4.39Å; E30-Y37 HydrophobicContact CB-CE1 4.14Å; E30-Y37 PolarHBondContact OE2-OH 3.17Å; W34-Y37 HydrophobicContact CD2-CD1 4.42Å; W34-Y37 HydrophobicContact CH2-CD1 4.42Å; W34-Y37 HydrophobicContact CZ2-CD1 4.04Å; Y37-M39 HydrophobicContact CD1-CE 3.26Å; Y37-M39 HydrophobicContact CD1-CG 3.95Å; Y37-M39 HydrophobicContact CD1-SD 4.44Å; Y37-M39 HydrophobicContact CD2-CB 4.29Å; Y37-M39 HydrophobicContact CD2-CE 4.41Å; Y37-M39 HydrophobicContact CD2-CG 3.37Å; Y37-M39 HydrophobicContact CE1-CE 3.85Å; Y37-M39 HydrophobicContact CE1-CG 4.21Å; Y37-M39 HydrophobicContact CE2-CB 4.38Å; Y37-M39 HydrophobicContact CE2-CG 3.65Å; Y37-M39 HydrophobicContact CG-CE 3.59Å; Y37-M39 HydrophobicContact CG-CG 3.52Å; Y37-M39 HydrophobicContact CG-SD 4.42Å; Y37-M39 PolarHBondContact O-N 2.91Å; Y37-L61 PolarHBondContact N-O 3.35Å; Y37-V62 WeakPolarHBondContact O-CA 3.28Å; Y37-N63 PolarHBondContact O-OD1 3.2Å
38W95.4Very high91.3Very high10 Ų1053.2 Ų53.24%0.03827%0.267CS..EExtended strand (participates in β ladder)trans-81.391.9165.3-161.7-69.6000110.4V8 T9 L16 F20 F36 N63 F308 L334 I349 L353V8-W38 PolarHBondContact O-N 3.34Å; T9-W38 WeakPolarHBondContact CA-O 3.3Å; T9-W38 WeakPolarHBondContact CB-O 3.22Å; T9-W38 PolarHBondContact OG1-O 3.45Å; L16-W38 HydrophobicContact CD1-CD2 4.22Å; L16-W38 HydrophobicContact CD1-CG 3.86Å; L16-W38 HydrophobicContact CD2-CD2 3.59Å; L16-W38 HydrophobicContact CD2-CE3 3.89Å; L16-W38 HydrophobicContact CD2-CG 4.08Å; L16-W38 HydrophobicContact CD2-CH2 4.21Å; L16-W38 HydrophobicContact CD2-CZ2 3.9Å; L16-W38 HydrophobicContact CD2-CZ3 4.19Å; F20-W38 HydrophobicContact CZ-CB 4.05Å; F20-W38 HydrophobicContact CZ-CE3 4.23Å; F36-W38 HydrophobicContact CE1-CB 4.08Å; F36-W38 AromaticContact CE1-CE3 3.85Å; F36-W38 HydrophobicContact CE1-CE3 3.85Å; F36-W38 AromaticContact CZ-CE3 3.71Å; F36-W38 HydrophobicContact CZ-CE3 3.71Å; F36-W38 HydrophobicContact CZ-CZ3 4.24Å; W38-N63 WeakPolarHBondContact CA-OD1 3.46Å; W38-N63 HydrophobicContact CD2-CB 4.03Å; W38-N63 HydrophobicContact CE3-CB 4.15Å; W38-N63 HydrophobicContact CG-CB 4.47Å; W38-N63 HydrophobicContact CZ2-CB 4.43Å; W38-N63 HydrophobicContact CZ3-CB 4.39Å; W38-N63 PolarHBondContact NE1-ND2 3.29Å; W38-F308 HydrophobicContact CE3-CZ 4.45Å; W38-F308 HydrophobicContact CH2-CE2 4.45Å; W38-F308 HydrophobicContact CZ3-CE2 4.23Å; W38-F308 HydrophobicContact CZ3-CZ 4.04Å; W38-L334 HydrophobicContact CZ2-CD1 4.48Å; W38-I349 HydrophobicContact CH2-CD1 3.42Å; W38-I349 VanDerWaalsContact CH2-CD1 3.42Å; W38-I349 HydrophobicContact CZ2-CD1 3.74Å; W38-I349 HydrophobicContact CZ3-CD1 4.18Å; W38-L353 HydrophobicContact CZ3-CD2 4.46Å
39M94.4Very high90.7Very high1 Ų154 Ų541%0.00527%0.273CS..  trans-87.8152-175.9-63.6179.5179.600112.6D10 W34 Y37 T43 I44 V47 V62 N63 H64D10-M39 VanDerWaalsContact OD1-C 3.27Å; D10-M39 VanDerWaalsContact OD1-CA 3.32Å; D10-M39 WeakPolarHBondContact OD1-CA 3.43Å; W34-M39 HydrophobicContact CH2-CE 4.11Å; W34-M39 HydrophobicContact CZ2-CE 4.19Å; Y37-M39 HydrophobicContact CD1-CE 3.26Å; Y37-M39 HydrophobicContact CD1-CG 3.95Å; Y37-M39 HydrophobicContact CD1-SD 4.44Å; Y37-M39 HydrophobicContact CD2-CB 4.29Å; Y37-M39 HydrophobicContact CD2-CE 4.41Å; Y37-M39 HydrophobicContact CD2-CG 3.37Å; Y37-M39 HydrophobicContact CE1-CE 3.85Å; Y37-M39 HydrophobicContact CE1-CG 4.21Å; Y37-M39 HydrophobicContact CE2-CB 4.38Å; Y37-M39 HydrophobicContact CE2-CG 3.65Å; Y37-M39 HydrophobicContact CG-CE 3.59Å; Y37-M39 HydrophobicContact CG-CG 3.52Å; Y37-M39 HydrophobicContact CG-SD 4.42Å; Y37-M39 PolarHBondContact O-N 2.91Å; M39-T43 HydrophobicContact CB-CG2 4.24Å; M39-T43 HydrophobicContact CG-CG2 4.02Å; M39-T43 HydrophobicContact SD-CG2 4.15Å; M39-I44 HydrophobicContact CB-CB 4.37Å; M39-I44 HydrophobicContact SD-CB 4.25Å; M39-I44 HydrophobicContact SD-CD1 3.44Å; M39-I44 WeakPolarHBondContact SD-CD1 3.41Å; M39-I44 HydrophobicContact SD-CG1 4.45Å; M39-V47 HydrophobicContact CE-CG1 4.35Å; M39-V47 HydrophobicContact CE-CG2 3.82Å; M39-V47 HydrophobicContact SD-CB 4.46Å; M39-V47 HydrophobicContact SD-CG2 4Å; M39-V62 HydrophobicContact CE-CG1 3.68Å; M39-V62 HydrophobicContact SD-CB 4.44Å; M39-V62 HydrophobicContact SD-CG1 4.12Å; M39-N63 PolarHBondContact N-OD1 2.86Å; M39-N63 PolarHBondContact O-ND2 3.06Å; M39-N63 PolarHBondContact O-OD1 3.28Å; M39-H64 PolarHBondContact O-CD2 2.81Å; M39-H64 PolarHBondContact O-NE2 2.91Å; M39-H64 VanDerWaalsContact O-NE2 3.15Å
40S93.1Very high90Very high29 Ų2956.8 Ų56.820%0.20329%0.29CS..  trans-75.4163.4162.576.40000111.7D10 Q42 T43 I44D10-S40 VanDerWaalsContact CG-N 3.31Å; D10-S40 PolarHBondContact OD1-N 3.15Å; D10-S40 WeakPolarHBondContact OD2-CB 3.4Å; D10-S40 PolarHBondContact OD2-N 2.87Å; D10-S40 PolarHBondContact OD2-OG 3.41Å; S40-Q42 PolarHBondContact O-N 3.39Å; S40-Q42 PolarHBondContact OG-N 3.12Å; S40-T43 PolarHBondContact O-N 2.85Å; S40-T43 PolarHBondContact OG-N 3.32Å; S40-T43 PolarHBondContact OG-OG1 3.11Å; S40-I44 PolarHBondContact O-N 3.13Å
41I90Very high89.6Confident54 Ų5458.7 Ų58.728%0.27730%0.303SS..Hα-helixtrans-58.9-30.5176.1-59.9-66.3000111.9I44 R45 H64 A330I41-I44 WeakPolarHBondContact O-CG2 3.23Å; I41-R45 WeakPolarHBondContact O-CD 3.36Å; I41-R45 WeakPolarHBondContact O-CG 3.31Å; I41-H64 WeakPolarHBondContact CD1-CE1 3.42Å; I41-A330 HydrophobicContact CD1-CB 3.63Å
42Q88.6Confident89.2Confident109 Ų10955.3 Ų55.351%0.50929%0.288SS..Hα-helixtrans-74.3-44.2178.3-17557.344.700110.9S40 R45 N46S40-Q42 PolarHBondContact O-N 3.39Å; S40-Q42 PolarHBondContact OG-N 3.12Å; Q42-R45 PolarHBondContact O-N 3.21Å; Q42-N46 PolarHBondContact NE2-OD1 3.04Å; Q42-N46 VanDerWaalsContact NE2-OD1 3.15Å; Q42-N46 PolarHBondContact O-N 2.93Å; Q42-N46 PolarHBondContact O-OD1 3.37Å
43T91.4Very high88.4Confident28 Ų2853 Ų5317%0.17229%0.293CS..Hα-helixtrans-66.1-45.7-177.8-60.70000111.8D10 M39 S40 R45 N46 V47D10-T43 WeakPolarHBondContact OD2-CB 3.35Å; D10-T43 PolarHBondContact OD2-OG1 3.37Å; M39-T43 HydrophobicContact CB-CG2 4.24Å; M39-T43 HydrophobicContact CG-CG2 4.02Å; M39-T43 HydrophobicContact SD-CG2 4.15Å; S40-T43 PolarHBondContact O-N 2.85Å; S40-T43 PolarHBondContact OG-N 3.32Å; S40-T43 PolarHBondContact OG-OG1 3.11Å; T43-R45 PolarHBondContact O-N 3.23Å; T43-N46 WeakPolarHBondContact O-CB 3.34Å; T43-N46 PolarHBondContact O-N 3.04Å; T43-V47 HydrophobicContact CG2-CG2 4.37Å; T43-V47 WeakPolarHBondContact O-CG2 3.45Å; T43-V47 PolarHBondContact O-N 2.75Å
44I90.4Very high88Confident0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-61.2-35.8178.2-164.876.5000112.4M39 S40 I41 N46 V47 F48 V62 H64M39-I44 HydrophobicContact CB-CB 4.37Å; M39-I44 HydrophobicContact SD-CB 4.25Å; M39-I44 HydrophobicContact SD-CD1 3.44Å; M39-I44 WeakPolarHBondContact SD-CD1 3.41Å; M39-I44 HydrophobicContact SD-CG1 4.45Å; S40-I44 PolarHBondContact O-N 3.13Å; I41-I44 WeakPolarHBondContact O-CG2 3.23Å; I44-N46 VanDerWaalsContact C-N 3.31Å; I44-N46 PolarHBondContact O-N 2.8Å; I44-V47 PolarHBondContact O-N 2.86Å; I44-F48 HydrophobicContact CD1-CD2 3.85Å; I44-F48 HydrophobicContact CD1-CE2 3.47Å; I44-F48 VanDerWaalsContact CD1-CE2 3.47Å; I44-F48 HydrophobicContact CG1-CD2 3.76Å; I44-F48 HydrophobicContact CG1-CE2 3.82Å; I44-F48 PolarHBondContact O-N 3.09Å; I44-V62 HydrophobicContact CD1-CB 4.14Å; I44-V62 HydrophobicContact CD1-CG2 3.83Å; I44-H64 HydrophobicContact CB-CB 3.97Å; I44-H64 HydrophobicContact CD1-CB 3.94Å; I44-H64 HydrophobicContact CG1-CB 3.52Å; I44-H64 HydrophobicContact CG2-CB 3.9Å
45R88.1Confident87.6Confident137 Ų13763.2 Ų63.252%0.51733%0.325SS..Hα-helixtrans-67.1-34.5176.8-74.4177.270.8-171.1-0.3112I41 Q42 T43 S49I41-R45 WeakPolarHBondContact O-CD 3.36Å; I41-R45 WeakPolarHBondContact O-CG 3.31Å; Q42-R45 PolarHBondContact O-N 3.21Å; T43-R45 PolarHBondContact O-N 3.23Å; R45-S49 PolarHBondContact O-N 2.85Å; R45-S49 VanDerWaalsContact O-N 3.16Å
46N87.9Confident87.4Confident82 Ų8263.9 Ų63.944%0.43933%0.328SS..Hα-helixtrans-70.6-46.2174.5-66.5-9.6000110.3Q42 T43 I44 F48 S49 T52Q42-N46 PolarHBondContact NE2-OD1 3.04Å; Q42-N46 VanDerWaalsContact NE2-OD1 3.15Å; Q42-N46 PolarHBondContact O-N 2.93Å; Q42-N46 PolarHBondContact O-OD1 3.37Å; T43-N46 WeakPolarHBondContact O-CB 3.34Å; T43-N46 PolarHBondContact O-N 3.04Å; I44-N46 VanDerWaalsContact C-N 3.31Å; I44-N46 PolarHBondContact O-N 2.8Å; N46-F48 VanDerWaalsContact C-N 3.33Å; N46-F48 PolarHBondContact O-N 3.39Å; N46-S49 WeakPolarHBondContact O-CB 3.35Å; N46-S49 PolarHBondContact O-N 2.81Å; N46-T52 WeakPolarHBondContact O-CG2 3.45Å; N46-T52 PolarHBondContact O-OG1 2.97Å
47V87.3Confident87.2Confident24 Ų2466.3 Ų66.315%0.14535%0.345CS..Hα-helixtrans-58.8-40.7-179.2169.10000112.6M39 T43 I44 T52 Y54M39-V47 HydrophobicContact CE-CG1 4.35Å; M39-V47 HydrophobicContact CE-CG2 3.82Å; M39-V47 HydrophobicContact SD-CB 4.46Å; M39-V47 HydrophobicContact SD-CG2 4Å; T43-V47 HydrophobicContact CG2-CG2 4.37Å; T43-V47 WeakPolarHBondContact O-CG2 3.45Å; T43-V47 PolarHBondContact O-N 2.75Å; I44-V47 PolarHBondContact O-N 2.86Å; V47-T52 PolarHBondContact O-OG1 3.48Å; V47-Y54 HydrophobicContact CG1-CD1 3.72Å; V47-Y54 HydrophobicContact CG1-CE1 4.27Å
48F86.7Confident86.9Confident55 Ų5569.6 Ų69.624%0.24136%0.364CS..THydrogen-bonded Turntrans-93.39.8175.1-67.9-66.1000113.7I44 N46 L56 P66I44-F48 HydrophobicContact CD1-CD2 3.85Å; I44-F48 HydrophobicContact CD1-CE2 3.47Å; I44-F48 VanDerWaalsContact CD1-CE2 3.47Å; I44-F48 HydrophobicContact CG1-CD2 3.76Å; I44-F48 HydrophobicContact CG1-CE2 3.82Å; I44-F48 PolarHBondContact O-N 3.09Å; N46-F48 VanDerWaalsContact C-N 3.33Å; N46-F48 PolarHBondContact O-N 3.39Å; F48-L56 HydrophobicContact CE1-CD1 4.09Å; F48-L56 HydrophobicContact CZ-CD1 3.66Å; F48-P66 HydrophobicContact CB-CB 4.04Å; F48-P66 HydrophobicContact CD1-CB 4.3Å; F48-P66 HydrophobicContact CD1-CG 3.98Å; F48-P66 HydrophobicContact CD2-CB 3.74Å; F48-P66 HydrophobicContact CD2-CG 3.73Å; F48-P66 HydrophobicContact CE1-CG 3.96Å; F48-P66 HydrophobicContact CE2-CB 4.21Å; F48-P66 HydrophobicContact CE2-CG 3.68Å; F48-P66 HydrophobicContact CG-CB 3.79Å; F48-P66 HydrophobicContact CG-CG 3.87Å; F48-P66 HydrophobicContact CZ-CG 3.81Å
49S84.1Confident86.8Confident40 Ų4074 Ų7428%0.2838%0.384SS..  trans-67.1136.4172.4-173.80000109.4R45 N46 D51 T52R45-S49 PolarHBondContact O-N 2.85Å; R45-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 WeakPolarHBondContact O-CB 3.35Å; N46-S49 PolarHBondContact O-N 2.81Å; S49-D51 PolarHBondContact O-N 3.01Å; S49-D51 VanDerWaalsContact O-N 3.12Å; S49-D51 PolarHBondContact OG-OD2 2.94Å; S49-T52 PolarHBondContact O-N 3.33Å; S49-T52 PolarHBondContact O-OG1 3.32Å
50V76.7Confident86.7Confident137 Ų13774.6 Ų74.683%0.8339%0.387SS*.THydrogen-bonded Turntrans-54.9-33.5178.3-177.10000111.1T52 G53V50-T52 VanDerWaalsContact C-N 3.29Å; V50-T52 PolarHBondContact O-N 3.22Å; V50-G53 PolarHBondContact O-N 2.94Å
51D77.4Confident86.8Confident153 Ų15373.6 Ų73.682%0.81838%0.38SS*.THydrogen-bonded Turntrans-66.7-28.2-178.2-54.3-42.1000113.4S49S49-D51 PolarHBondContact O-N 3.01Å; S49-D51 VanDerWaalsContact O-N 3.12Å; S49-D51 PolarHBondContact OG-OD2 2.94Å
52T78.4Confident87Confident76 Ų7671 Ų7147%0.46637%0.366SS..THydrogen-bonded Turntrans-81.6-27.9-179.2650000112.5N46 V47 S49 V50 Y54N46-T52 WeakPolarHBondContact O-CG2 3.45Å; N46-T52 PolarHBondContact O-OG1 2.97Å; V47-T52 PolarHBondContact O-OG1 3.48Å; S49-T52 PolarHBondContact O-N 3.33Å; S49-T52 PolarHBondContact O-OG1 3.32Å; V50-T52 VanDerWaalsContact C-N 3.29Å; V50-T52 PolarHBondContact O-N 3.22Å; T52-Y54 PolarHBondContact O-N 2.95Å; T52-Y54 PolarHBondContact OG1-N 3.46Å
53G75.2Confident87.3Confident57 Ų5766 Ų6659%0.58834%0.343SS*.  trans59.311.3-174.900000114.7V50V50-G53 PolarHBondContact O-N 2.94Å
54Y82.8Confident87.6Confident97 Ų9764.7 Ų64.738%0.3834%0.335SS..  trans-68.3136.7-173.3-170.1-93.5000110.8W34 V47 T52 L56 Q60W34-Y54 HydrophobicContact CZ2-CE1 4.36Å; W34-Y54 WeakPolarHBondContact CZ2-OH 3.41Å; V47-Y54 HydrophobicContact CG1-CD1 3.72Å; V47-Y54 HydrophobicContact CG1-CE1 4.27Å; T52-Y54 PolarHBondContact O-N 2.95Å; T52-Y54 PolarHBondContact OG1-N 3.46Å; Y54-L56 HydrophobicContact CE1-CD2 3.81Å; Y54-L56 HydrophobicContact CE1-CG 4.37Å; Y54-Q60 PolarHBondContact OH-NE2 3.02Å
55R85.9Confident87.8Confident224 Ų22464.7 Ų64.785%0.84534%0.335SS*.  trans-126.9130.1177.3-68.1-173.8178.8175.50.4109.3
56L90.7Very high88Confident20 Ų2059 Ų5911%0.10532%0.316CS..  trans-71.3139.7176.6-65.5165.4000110W34 F48 Y54 Q60 V62 H306W34-L56 HydrophobicContact CH2-CD2 3.43Å; W34-L56 VanDerWaalsContact CH2-CD2 3.43Å; W34-L56 HydrophobicContact CZ2-CD2 4.07Å; W34-L56 HydrophobicContact CZ3-CD2 4.38Å; F48-L56 HydrophobicContact CE1-CD1 4.09Å; F48-L56 HydrophobicContact CZ-CD1 3.66Å; Y54-L56 HydrophobicContact CE1-CD2 3.81Å; Y54-L56 HydrophobicContact CE1-CG 4.37Å; L56-Q60 VanDerWaalsContact CA-OE1 3.29Å; L56-Q60 HydrophobicContact CB-CB 4.3Å; L56-Q60 HydrophobicContact CD2-CB 4.05Å; L56-V62 HydrophobicContact CD1-CG1 4.24Å; L56-V62 HydrophobicContact CD1-CG2 4.02Å; L56-V62 HydrophobicContact CD2-CG1 4.05Å; L56-H306 HydrophobicContact CB-CB 4.06Å; L56-H306 HydrophobicContact CD1-CB 3.58Å; L56-H306 HydrophobicContact CG-CB 4.41Å
57S91.2Very high88.3Confident52 Ų5255.6 Ų55.636%0.36430%0.297SS..  trans-79.3162.9172.377.70000111.2E59 Q60 H306S57-E59 PolarHBondContact O-N 3.1Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.48Å; S57-Q60 WeakPolarHBondContact OG-CG 3.43Å; S57-H306 PolarHBondContact O-CD2 3.11Å; S57-H306 PolarHBondContact O-NE2 3.31Å
58D90.1Very high88.6Confident77 Ų7754.7 Ų54.741%0.41229%0.292SS..THydrogen-bonded Turntrans-61.8-18.8-179.3-75.1-9.8000113.5K305 H306 C365D58-K305 IonicContact OD1-NZ 3.87Å; D58-K305 PolarHBondContact OD1-NZ 3.45Å; D58-H306 IonicContact OD1-NE2 3.88Å; D58-C365 VanDerWaalsContact CA-SG 3.57Å; D58-C365 WeakPolarHBondContact CB-SG 3.41Å; D58-C365 PolarHBondContact O-N 3.25Å; D58-C365 VanDerWaalsContact O-N 3.08Å; D58-C365 PolarHBondContact OD1-SG 2.7Å
59E91.8Very high88.9Confident102 Ų10256 Ų5648%0.47730%0.296SS..THydrogen-bonded Turntrans-96.99.7178.6-64.1-175.4-179.800113.5N35 S57 I362 P363N35-E59 WeakPolarHBondContact CA-O 3.36Å; N35-E59 PolarHBondContact ND2-O 3.5Å; S57-E59 PolarHBondContact O-N 3.1Å; E59-I362 HydrophobicContact CB-CG2 3.67Å; E59-I362 HydrophobicContact CG-CG2 3.74Å; E59-P363 WeakPolarHBondContact CA-O 2.89Å; E59-P363 WeakPolarHBondContact O-CD 3.46Å; E59-P363 WeakPolarHBondContact O-CG 3.36Å
60Q93.2Very high89.5Confident13 Ų1355.8 Ų55.86%0.06129%0.29CS..  trans-109.2142-179.1-76.4177.5-3100112.7W34 N35 Y54 L56 S57 H306W34-Q60 HydrophobicContact CD2-CG 4.39Å; W34-Q60 VanDerWaalsContact CE2-NE2 3.26Å; W34-Q60 HydrophobicContact CE3-CB 4.39Å; W34-Q60 HydrophobicContact CE3-CG 3.82Å; W34-Q60 HydrophobicContact CH2-CB 4.05Å; W34-Q60 HydrophobicContact CH2-CG 3.95Å; W34-Q60 HydrophobicContact CZ2-CG 4.49Å; W34-Q60 VanDerWaalsContact CZ2-NE2 3.35Å; W34-Q60 HydrophobicContact CZ3-CB 3.7Å; W34-Q60 HydrophobicContact CZ3-CG 3.58Å; W34-Q60 VanDerWaalsContact O-CG 3.31Å; W34-Q60 WeakPolarHBondContact O-CG 3.18Å; W34-Q60 PolarHBondContact O-NE2 3.12Å; N35-Q60 CarbonylContact O-C 3.5Å; N35-Q60 VanDerWaalsContact O-CA 3.28Å; N35-Q60 WeakPolarHBondContact O-CA 3.3Å; Y54-Q60 PolarHBondContact OH-NE2 3.02Å; L56-Q60 VanDerWaalsContact CA-OE1 3.29Å; L56-Q60 HydrophobicContact CB-CB 4.3Å; L56-Q60 HydrophobicContact CD2-CB 4.05Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.48Å; S57-Q60 WeakPolarHBondContact OG-CG 3.43Å; Q60-H306 WeakPolarHBondContact O-CB 3.48Å; Q60-H306 PolarHBondContact O-CD2 3.34Å
61L94Very high90.4Very high9 Ų949.3 Ų49.35%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-139136.7177.1-165.378.2000111.4N35 F36 Y37 H306 F308 V356 M357 P363N35-L61 PolarHBondContact O-N 2.8Å; F36-L61 HydrophobicContact CD2-CB 4.17Å; F36-L61 HydrophobicContact CD2-CD2 3.99Å; F36-L61 HydrophobicContact CD2-CG 4.46Å; F36-L61 HydrophobicContact CE2-CD2 3.94Å; Y37-L61 PolarHBondContact N-O 3.35Å; L61-H306 CarbonylContact C-O 3.52Å; L61-H306 WeakPolarHBondContact CA-O 3.33Å; L61-H306 VanDerWaalsContact CD1-O 3.26Å; L61-H306 WeakPolarHBondContact CD1-O 3.49Å; L61-F308 HydrophobicContact CD1-CD1 4.35Å; L61-F308 HydrophobicContact CD2-CD1 3.9Å; L61-F308 HydrophobicContact CD2-CE1 3.84Å; L61-F308 HydrophobicContact CG-CD1 3.94Å; L61-F308 HydrophobicContact CG-CE1 4.03Å; L61-V356 HydrophobicContact CD2-CB 4Å; L61-V356 HydrophobicContact CD2-CG2 3.95Å; L61-M357 HydrophobicContact CD2-CG 3.79Å; L61-M357 HydrophobicContact CD2-SD 3.8Å; L61-P363 HydrophobicContact CB-CB 4Å; L61-P363 HydrophobicContact CB-CG 3.96Å
62V95.3Very high91.3Very high0 Ų043.2 Ų43.20%022%0.219CC..EExtended strand (participates in β ladder)trans-131.7149.6-179.1-56.90000111.9W34 Y37 M39 I44 L56 H64 H306 C307 F308W34-V62 HydrophobicContact CH2-CG1 3.86Å; W34-V62 HydrophobicContact CZ3-CG1 4.16Å; Y37-V62 WeakPolarHBondContact O-CA 3.28Å; M39-V62 HydrophobicContact CE-CG1 3.68Å; M39-V62 HydrophobicContact SD-CB 4.44Å; M39-V62 HydrophobicContact SD-CG1 4.12Å; I44-V62 HydrophobicContact CD1-CB 4.14Å; I44-V62 HydrophobicContact CD1-CG2 3.83Å; L56-V62 HydrophobicContact CD1-CG1 4.24Å; L56-V62 HydrophobicContact CD1-CG2 4.02Å; L56-V62 HydrophobicContact CD2-CG1 4.05Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 2.73Å; V62-H306 PolarHBondContact N-O 3.43Å; V62-C307 HydrophobicContact CG2-CB 4.42Å; V62-C307 VanDerWaalsContact CG2-SG 3.51Å; V62-C307 WeakPolarHBondContact O-CA 3.37Å; V62-F308 WeakPolarHBondContact O-CD1 3.48Å; V62-F308 WeakPolarHBondContact O-CE1 3.31Å; V62-F308 PolarHBondContact O-N 3.32Å
63N95.4Very high92Very high3 Ų344.3 Ų44.32%0.01622%0.215CC..SBendtrans-87.517.8-171.769.3-55.6000115.2Y37 W38 M39 F308Y37-N63 PolarHBondContact O-OD1 3.2Å; W38-N63 WeakPolarHBondContact CA-OD1 3.46Å; W38-N63 HydrophobicContact CD2-CB 4.03Å; W38-N63 HydrophobicContact CE3-CB 4.15Å; W38-N63 HydrophobicContact CG-CB 4.47Å; W38-N63 HydrophobicContact CZ2-CB 4.43Å; W38-N63 HydrophobicContact CZ3-CB 4.39Å; W38-N63 PolarHBondContact NE1-ND2 3.29Å; M39-N63 PolarHBondContact N-OD1 2.86Å; M39-N63 PolarHBondContact O-ND2 3.06Å; M39-N63 PolarHBondContact O-OD1 3.28Å; N63-F308 CarbonylContact C-O 3.54Å; N63-F308 WeakPolarHBondContact CA-O 3.34Å; N63-F308 HydrophobicContact CB-CE1 4.03Å; N63-F308 HydrophobicContact CB-CE2 3.87Å; N63-F308 HydrophobicContact CB-CZ 3.5Å
64H96.1Very high92.8Very high0 Ų042.4 Ų42.40%019%0.19CC..SBendtrans-144.4140.4-178.8-75.2-55.7000113.2M39 I41 I44 V62 C307 F308 E309M39-H64 PolarHBondContact O-CD2 2.81Å; M39-H64 PolarHBondContact O-NE2 2.91Å; M39-H64 VanDerWaalsContact O-NE2 3.15Å; I41-H64 WeakPolarHBondContact CD1-CE1 3.42Å; I44-H64 HydrophobicContact CB-CB 3.97Å; I44-H64 HydrophobicContact CD1-CB 3.94Å; I44-H64 HydrophobicContact CG1-CB 3.52Å; I44-H64 HydrophobicContact CG2-CB 3.9Å; V62-H64 VanDerWaalsContact C-N 3.3Å; V62-H64 PolarHBondContact O-N 2.73Å; H64-C307 WeakPolarHBondContact O-CB 3.33Å; H64-C307 PolarHBondContact O-SG 3.25Å; H64-F308 WeakPolarHBondContact CA-O 3.21Å; H64-F308 PolarHBondContact N-O 3.23Å; H64-E309 VanDerWaalsContact CA-OE2 3.26Å; H64-E309 WeakPolarHBondContact CA-OE2 3.43Å; H64-E309 IonicContact CE1-OE1 3.23Å; H64-E309 PolarHBondContact CE1-OE1 3.19Å; H64-E309 IonicContact CG-OE1 2.79Å; H64-E309 IonicContact CG-OE2 2.88Å; H64-E309 IonicContact ND1-OE1 3.43Å; H64-E309 PolarHBondContact ND1-OE1 3.34Å; H64-E309 IonicContact ND1-OE2 3.24Å; H64-E309 PolarHBondContact ND1-OE2 3.34Å; H64-E309 VanDerWaalsContact ND1-OE2 3.08Å
65F95.2Very high93.3Very high0 Ų038.7 Ų38.70%018%0.177CC..  trans-78.9146165.9-69-79000111N67 H68 V204 Y207 M301 C307 E309F65-N67 VanDerWaalsContact C-N 3.31Å; F65-N67 PolarHBondContact O-N 3.3Å; F65-H68 HydrophobicContact CB-CB 4.43Å; F65-H68 WeakPolarHBondContact O-CB 3.45Å; F65-H68 PolarHBondContact O-N 2.93Å; F65-H68 VanDerWaalsContact O-N 3.12Å; F65-H68 PolarHBondContact O-ND1 3.27Å; F65-V204 HydrophobicContact CE2-CB 4.37Å; F65-V204 HydrophobicContact CE2-CG1 4.18Å; F65-V204 HydrophobicContact CZ-CG1 4.43Å; F65-Y207 HydrophobicContact CD1-CD2 4.38Å; F65-Y207 HydrophobicContact CD2-CD2 4.08Å; F65-Y207 AromaticContact CD2-CE2 3.68Å; F65-Y207 HydrophobicContact CD2-CE2 3.68Å; F65-Y207 HydrophobicContact CE1-CD2 4.09Å; F65-Y207 AromaticContact CE2-CD2 3.77Å; F65-Y207 HydrophobicContact CE2-CD2 3.77Å; F65-Y207 AromaticContact CE2-CE2 3.58Å; F65-Y207 HydrophobicContact CE2-CE2 3.58Å; F65-Y207 HydrophobicContact CG-CD2 4.38Å; F65-Y207 HydrophobicContact CG-CE2 4.28Å; F65-Y207 AromaticContact CZ-CD2 3.78Å; F65-Y207 HydrophobicContact CZ-CD2 3.78Å; F65-Y207 HydrophobicContact CZ-CE2 4.11Å; F65-M301 HydrophobicContact CB-CG 4.46Å; F65-M301 HydrophobicContact CB-SD 3.76Å; F65-M301 HydrophobicContact CG-CG 4.47Å; F65-M301 HydrophobicContact CG-SD 4.28Å; F65-C307 HydrophobicContact CD1-CB 3.55Å; F65-C307 HydrophobicContact CE1-CB 3.72Å; F65-C307 HydrophobicContact CG-CB 4.11Å; F65-C307 HydrophobicContact CZ-CB 4.42Å; F65-E309 HydrophobicContact CD2-CB 3.66Å; F65-E309 HydrophobicContact CE2-CB 3.81Å; F65-E309 PolarHBondContact N-OE2 3.47Å
66P92.7Very high93.7Very high18 Ų1829.3 Ų29.312%0.11714%0.144CC..THydrogen-bonded Turntrans-53.3-44.3-174.8-25.830.5000114.1F48 N302 D304F48-P66 HydrophobicContact CB-CB 4.04Å; F48-P66 HydrophobicContact CD1-CB 4.3Å; F48-P66 HydrophobicContact CD1-CG 3.98Å; F48-P66 HydrophobicContact CD2-CB 3.74Å; F48-P66 HydrophobicContact CD2-CG 3.73Å; F48-P66 HydrophobicContact CE1-CG 3.96Å; F48-P66 HydrophobicContact CE2-CB 4.21Å; F48-P66 HydrophobicContact CE2-CG 3.68Å; F48-P66 HydrophobicContact CG-CB 3.79Å; F48-P66 HydrophobicContact CG-CG 3.87Å; F48-P66 HydrophobicContact CZ-CG 3.81Å; P66-N302 HydrophobicContact CB-CB 4.14Å; P66-N302 WeakPolarHBondContact CD-O 3.36Å; P66-N302 HydrophobicContact CG-CB 4.05Å; P66-D304 HydrophobicContact CG-CB 4.4Å
67N93.9Very high94Very high10 Ų1028.7 Ų28.75%0.05314%0.14CC..THydrogen-bonded Turntrans-112.838179.166.2-18000112.4F65 Y69 E70 V300 M301 N302F65-N67 VanDerWaalsContact C-N 3.31Å; F65-N67 PolarHBondContact O-N 3.3Å; N67-Y69 HydrophobicContact CB-CE1 3.99Å; N67-Y69 HydrophobicContact CB-CE2 4.06Å; N67-Y69 PolarHBondContact O-N 2.98Å; N67-E70 HydrophobicContact CB-CG 4.25Å; N67-E70 WeakPolarHBondContact O-CB 3.49Å; N67-E70 WeakPolarHBondContact O-CG 3.43Å; N67-E70 PolarHBondContact O-N 2.9Å; N67-V300 PolarHBondContact ND2-O 2.83Å; N67-M301 PolarHBondContact OD1-SD 2.94Å; N67-N302 PolarHBondContact ND2-N 2.75Å; N67-N302 PolarHBondContact ND2-OD1 3.44Å; N67-N302 WeakPolarHBondContact OD1-CB 3.03Å; N67-N302 PolarHBondContact OD1-N 3.35Å
68H93.7Very high94.2Very high5 Ų526.6 Ų26.62%0.02313%0.125CC..THydrogen-bonded Turntrans-48.8-27.7175.164.5-93.8000113.3F65 E70 L71 T72 E309F65-H68 HydrophobicContact CB-CB 4.43Å; F65-H68 WeakPolarHBondContact O-CB 3.45Å; F65-H68 PolarHBondContact O-N 2.93Å; F65-H68 VanDerWaalsContact O-N 3.12Å; F65-H68 PolarHBondContact O-ND1 3.27Å; H68-E70 PolarHBondContact O-N 3.21Å; H68-E70 VanDerWaalsContact O-N 3.15Å; H68-L71 PolarHBondContact O-N 2.95Å; H68-L71 VanDerWaalsContact O-N 3.1Å; H68-T72 PolarHBondContact O-N 3.19Å; H68-T72 PolarHBondContact O-OG1 3.45Å; H68-E309 WeakPolarHBondContact CB-OE2 3.22Å; H68-E309 IonicContact CG-OE2 3Å
69Y93.9Very high94.4Very high83 Ų8328.5 Ų28.533%0.32513%0.13SC..Hα-helixtrans-61.1-16.8177.356.8-105.9000114.4N67 L71 T72 R73 L76N67-Y69 HydrophobicContact CB-CE1 3.99Å; N67-Y69 HydrophobicContact CB-CE2 4.06Å; N67-Y69 PolarHBondContact O-N 2.98Å; Y69-L71 PolarHBondContact O-N 2.76Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.43Å; Y69-T72 PolarHBondContact O-N 2.89Å; Y69-R73 VanDerWaalsContact O-CB 3.29Å; Y69-R73 WeakPolarHBondContact O-CB 3.24Å; Y69-R73 PolarHBondContact O-N 3.33Å; Y69-L76 HydrophobicContact CD2-CD1 3.65Å; Y69-L76 HydrophobicContact CE2-CD1 4.24Å
70E96.1Very high94.7Very high35 Ų3523.7 Ų23.716%0.16411%0.107CC..Hα-helixtrans-60.5-30.2171.5-73.9-6315300112.7N67 H68 L76 M77 N80 V297 V300 M301N67-E70 HydrophobicContact CB-CG 4.25Å; N67-E70 WeakPolarHBondContact O-CB 3.49Å; N67-E70 WeakPolarHBondContact O-CG 3.43Å; N67-E70 PolarHBondContact O-N 2.9Å; H68-E70 PolarHBondContact O-N 3.21Å; H68-E70 VanDerWaalsContact O-N 3.15Å; E70-L76 CarbonylContact O-C 3.56Å; E70-M77 PolarHBondContact O-N 3.22Å; E70-N80 PolarHBondContact O-ND2 3.44Å; E70-N80 PolarHBondContact OE2-ND2 3.02Å; E70-V297 HydrophobicContact CB-CG1 3.76Å; E70-V300 HydrophobicContact CB-CG2 4.35Å; E70-V300 HydrophobicContact CG-CG2 4.22Å; E70-M301 HydrophobicContact CB-CE 4.48Å
71L96.4Very high94.9Very high1 Ų123.1 Ų23.11%0.00511%0.105CC..Hα-helixtrans-96.9-32.3174.5-177.761.3000112.5H68 Y69 M77 L294 V297 Y311 V328H68-L71 PolarHBondContact O-N 2.95Å; H68-L71 VanDerWaalsContact O-N 3.1Å; Y69-L71 PolarHBondContact O-N 2.76Å; L71-M77 HydrophobicContact CD1-CG 4.35Å; L71-M77 WeakPolarHBondContact O-CB 3.38Å; L71-L294 HydrophobicContact CD2-CD2 3.68Å; L71-V297 HydrophobicContact CB-CG1 4.27Å; L71-V297 HydrophobicContact CB-CG2 4.17Å; L71-V297 HydrophobicContact CD1-CG2 3.84Å; L71-Y311 HydrophobicContact CD2-CD1 4.2Å; L71-Y311 HydrophobicContact CD2-CD2 4.3Å; L71-Y311 HydrophobicContact CD2-CE1 3.89Å; L71-Y311 HydrophobicContact CD2-CE2 4.01Å; L71-Y311 HydrophobicContact CD2-CG 4.38Å; L71-V328 HydrophobicContact CD1-CG2 4.2Å; L71-V328 HydrophobicContact CD2-CG1 3.94Å; L71-V328 HydrophobicContact CG-CB 4.08Å; L71-V328 HydrophobicContact CG-CG1 3.94Å; L71-V328 HydrophobicContact CG-CG2 4.25Å
72T94.7Very high95Very high26 Ų2626.1 Ų26.116%0.1612%0.117CC..Hα-helixtrans-98.2-19.2-166.867.80000114.7H68 Y69 Y311 V328 A330H68-T72 PolarHBondContact O-N 3.19Å; H68-T72 PolarHBondContact O-OG1 3.45Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.43Å; Y69-T72 PolarHBondContact O-N 2.89Å; T72-Y311 HydrophobicContact CG2-CD1 3.88Å; T72-Y311 HydrophobicContact CG2-CE1 3.71Å; T72-V328 VanDerWaalsContact CA-O 3.23Å; T72-V328 WeakPolarHBondContact CA-O 3.42Å; T72-V328 VanDerWaalsContact CB-O 3.26Å; T72-V328 WeakPolarHBondContact CB-O 3.42Å; T72-V328 HydrophobicContact CG2-CG1 4.26Å; T72-A330 HydrophobicContact CG2-CB 3.77Å
73R93.5Very high95Very high99 Ų9929.1 Ų29.137%0.37413%0.128SC..SBendtrans-80133.3166.2-73178.453.5155.4-1.3110.4Y69 D75 L76 M77Y69-R73 VanDerWaalsContact O-CB 3.29Å; Y69-R73 WeakPolarHBondContact O-CB 3.24Å; Y69-R73 PolarHBondContact O-N 3.33Å; R73-D75 VanDerWaalsContact CB-OD1 3.31Å; R73-D75 WeakPolarHBondContact CB-OD1 3.36Å; R73-D75 IonicContact CZ-OD1 2.88Å; R73-D75 IonicContact CZ-OD2 2.68Å; R73-D75 IonicContact NE-OD1 2.63Å; R73-D75 PolarHBondContact NE-OD1 2.71Å; R73-D75 IonicContact NE-OD2 3.14Å; R73-D75 IonicContact NH2-OD1 3.7Å; R73-D75 IonicContact NH2-OD2 3.8Å; R73-D75 PolarHBondContact NH2-OD2 2.77Å; R73-D75 PolarHBondContact O-N 3.35Å; R73-L76 HydrophobicContact CB-CB 4.32Å; R73-L76 HydrophobicContact CB-CD1 4.26Å; R73-L76 HydrophobicContact CB-CG 4.29Å; R73-L76 PolarHBondContact O-N 2.95Å; R73-M77 WeakPolarHBondContact O-CB 3.25Å; R73-M77 PolarHBondContact O-N 2.59Å
74K92.7Very high95.1Very high16 Ų1630.2 Ų30.27%0.0713%0.133CC..Hα-helixtrans-62.6-39.5-172.1-65.5172.3170.864.50112.9I78 K138 C140 K142 V180 E327K74-I78 WeakPolarHBondContact O-CG1 3.06Å; K74-I78 PolarHBondContact O-N 3.37Å; K74-K138 HydrophobicContact CD-CB 4.03Å; K74-K138 HydrophobicContact CD-CD 4.17Å; K74-C140 PolarHBondContact N-O 2.74Å; K74-K142 PolarHBondContact NZ-O 2.85Å; K74-V180 HydrophobicContact CB-CG1 4.21Å; K74-V180 HydrophobicContact CB-CG2 3.9Å; K74-V180 HydrophobicContact CD-CG2 4.12Å; K74-E327 WeakPolarHBondContact CE-OE2 3.38Å; K74-E327 IonicContact NZ-OE2 3.19Å; K74-E327 PolarHBondContact NZ-OE2 3.34Å
75D92.2Very high95.1Very high20 Ų2031.7 Ų31.711%0.10714%0.138CC..Hα-helixtrans-65.9-48.6176.751.4-14000112.2R73 I78 K79 M115 C140 V180R73-D75 VanDerWaalsContact CB-OD1 3.31Å; R73-D75 WeakPolarHBondContact CB-OD1 3.36Å; R73-D75 IonicContact CZ-OD1 2.88Å; R73-D75 IonicContact CZ-OD2 2.68Å; R73-D75 IonicContact NE-OD1 2.63Å; R73-D75 PolarHBondContact NE-OD1 2.71Å; R73-D75 IonicContact NE-OD2 3.14Å; R73-D75 IonicContact NH2-OD1 3.7Å; R73-D75 IonicContact NH2-OD2 3.8Å; R73-D75 PolarHBondContact NH2-OD2 2.77Å; R73-D75 PolarHBondContact O-N 3.35Å; D75-I78 PolarHBondContact O-N 2.92Å; D75-K79 WeakPolarHBondContact O-CB 3.47Å; D75-K79 PolarHBondContact O-N 2.87Å; D75-M115 HydrophobicContact CB-CG 4.32Å; D75-M115 HydrophobicContact CB-SD 4.3Å; D75-C140 HydrophobicContact CB-CB 4.3Å; D75-V180 HydrophobicContact CB-CG1 4.12Å
76L95.3Very high95.1Very high27 Ų2737.9 Ų37.914%0.14117%0.165CC..Hα-helixtrans-67.7-42.4-179.1-61.8-179.9000112.1Y69 E70 R73 I78 K79 N80Y69-L76 HydrophobicContact CD2-CD1 3.65Å; Y69-L76 HydrophobicContact CE2-CD1 4.24Å; E70-L76 CarbonylContact O-C 3.56Å; R73-L76 HydrophobicContact CB-CB 4.32Å; R73-L76 HydrophobicContact CB-CD1 4.26Å; R73-L76 HydrophobicContact CB-CG 4.29Å; R73-L76 PolarHBondContact O-N 2.95Å; L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3.06Å; L76-K79 WeakPolarHBondContact O-CB 2.83Å; L76-K79 PolarHBondContact O-N 3.45Å; L76-N80 WeakPolarHBondContact O-CB 3.15Å; L76-N80 VanDerWaalsContact O-CG 3.26Å; L76-N80 PolarHBondContact O-N 2.64Å; L76-N80 PolarHBondContact O-ND2 3.26Å; L76-N80 VanDerWaalsContact O-ND2 3.1Å
77M96.3Very high95.3Very high6 Ų640.1 Ų40.13%0.0317%0.174CC..Hα-helixtrans-54-50.2174.6-175.2-174.969.700111.2E70 L71 R73 N80 I81 L325 V328E70-M77 PolarHBondContact O-N 3.22Å; L71-M77 HydrophobicContact CD1-CG 4.35Å; L71-M77 WeakPolarHBondContact O-CB 3.38Å; R73-M77 WeakPolarHBondContact O-CB 3.25Å; R73-M77 PolarHBondContact O-N 2.59Å; M77-N80 PolarHBondContact O-N 3.49Å; M77-I81 HydrophobicContact CG-CD1 3.99Å; M77-I81 VanDerWaalsContact O-CG1 3.32Å; M77-I81 WeakPolarHBondContact O-CG1 2.98Å; M77-I81 PolarHBondContact O-N 3.03Å; M77-L325 HydrophobicContact SD-CD2 4.01Å; M77-L325 HydrophobicContact SD-CG 4.37Å; M77-V328 HydrophobicContact SD-CG2 4.02Å
78I95.5Very high95.4Very high9 Ų940.2 Ų40.25%0.04618%0.175CC..Hα-helixtrans-67.1-40-179.9-65.1-64.9000111.2K74 D75 L76 I81 K82 V110 T113K74-I78 WeakPolarHBondContact O-CG1 3.06Å; K74-I78 PolarHBondContact O-N 3.37Å; D75-I78 PolarHBondContact O-N 2.92Å; L76-I78 VanDerWaalsContact C-N 3.32Å; L76-I78 PolarHBondContact O-N 3.06Å; I78-I81 PolarHBondContact O-N 2.98Å; I78-K82 HydrophobicContact CG2-CD 4.16Å; I78-K82 HydrophobicContact CG2-CG 4.45Å; I78-K82 WeakPolarHBondContact O-CB 3.39Å; I78-K82 WeakPolarHBondContact O-CG 3.3Å; I78-K82 PolarHBondContact O-N 3.32Å; I78-V110 HydrophobicContact CD1-CB 3.94Å; I78-V110 HydrophobicContact CD1-CG1 4.12Å; I78-V110 HydrophobicContact CD1-CG2 4.05Å; I78-T113 HydrophobicContact CD1-CG2 4.49Å; I78-T113 HydrophobicContact CG1-CG2 4Å; I78-T113 HydrophobicContact CG2-CG2 4.29Å
79K95.4Very high95.4Very high117 Ų11743.5 Ų43.551%0.50919%0.19SC..Hα-helixtrans-60.3-45.7175.4-176.4-176.6177.1-173.40111.4D75 L76 K82 R83D75-K79 WeakPolarHBondContact O-CB 3.47Å; D75-K79 PolarHBondContact O-N 2.87Å; L76-K79 WeakPolarHBondContact O-CB 2.83Å; L76-K79 PolarHBondContact O-N 3.45Å; K79-K82 PolarHBondContact O-N 3.31Å; K79-R83 PolarHBondContact O-N 3.07Å
80N97.6Very high95.5Very high1 Ų148.2 Ų48.21%0.00521%0.212CC..Hα-helixtrans-65.7-43.5179.7-72.2-36.9000111.5E70 L76 M77 K82 R83 Y84 V297E70-N80 PolarHBondContact O-ND2 3.44Å; E70-N80 PolarHBondContact OE2-ND2 3.02Å; L76-N80 WeakPolarHBondContact O-CB 3.15Å; L76-N80 VanDerWaalsContact O-CG 3.26Å; L76-N80 PolarHBondContact O-N 2.64Å; L76-N80 PolarHBondContact O-ND2 3.26Å; L76-N80 VanDerWaalsContact O-ND2 3.1Å; M77-N80 PolarHBondContact O-N 3.49Å; N80-K82 PolarHBondContact O-N 2.98Å; N80-R83 PolarHBondContact O-N 3.15Å; N80-R83 PolarHBondContact OD1-NH1 2.58Å; N80-R83 PolarHBondContact OD1-NH2 3.4Å; N80-Y84 WeakPolarHBondContact O-CB 3.46Å; N80-Y84 PolarHBondContact O-N 2.98Å; N80-V297 HydrophobicContact CB-CG2 3.86Å
81I97.1Very high95.4Very high1 Ų153.5 Ų53.51%0.00524%0.237CC..Hα-helixtrans-63-42.3174.1-68166.1000111.6M77 I78 R83 Y84 R85 F109 V110 A296M77-I81 HydrophobicContact CG-CD1 3.99Å; M77-I81 VanDerWaalsContact O-CG1 3.32Å; M77-I81 WeakPolarHBondContact O-CG1 2.98Å; M77-I81 PolarHBondContact O-N 3.03Å; I78-I81 PolarHBondContact O-N 2.98Å; I81-R83 VanDerWaalsContact C-N 3.35Å; I81-Y84 PolarHBondContact O-N 3.43Å; I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 3.36Å; I81-F109 HydrophobicContact CD1-CE2 3.98Å; I81-F109 HydrophobicContact CG1-CE2 4.5Å; I81-F109 HydrophobicContact CG2-CE2 4.46Å; I81-F109 HydrophobicContact CG2-CZ 4.33Å; I81-V110 HydrophobicContact CD1-CG1 3.68Å; I81-V110 HydrophobicContact CD1-CG2 4.47Å; I81-V110 HydrophobicContact CG2-CG2 4.13Å; I81-A296 HydrophobicContact CG1-CB 4.1Å
82K95.1Very high95.2Very high71 Ų7156.4 Ų56.431%0.30927%0.267SS..Hα-helixtrans-63.1-40.1175.8-76.7179.1-178.5178.20111.8I78 K79 N80 K86 T113I78-K82 HydrophobicContact CG2-CD 4.16Å; I78-K82 HydrophobicContact CG2-CG 4.45Å; I78-K82 WeakPolarHBondContact O-CB 3.39Å; I78-K82 WeakPolarHBondContact O-CG 3.3Å; I78-K82 PolarHBondContact O-N 3.32Å; K79-K82 PolarHBondContact O-N 3.31Å; N80-K82 PolarHBondContact O-N 2.98Å; K82-K86 WeakPolarHBondContact O-CG 3.42Å; K82-K86 PolarHBondContact O-N 2.73Å; K82-T113 PolarHBondContact NZ-O 3.23Å
83R96.8Very high95.1Very high63 Ų6357 Ų5724%0.23827%0.272CS..Hα-helixtrans-62.9-50.9175-178.1-175.763.9-117.6-12.5110.6K79 N80 I81 R85 K86 E87 A296K79-R83 PolarHBondContact O-N 3.07Å; N80-R83 PolarHBondContact O-N 3.15Å; N80-R83 PolarHBondContact OD1-NH1 2.58Å; N80-R83 PolarHBondContact OD1-NH2 3.4Å; I81-R83 VanDerWaalsContact C-N 3.35Å; R83-R85 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.1Å; R83-K86 WeakPolarHBondContact O-CB 3.41Å; R83-K86 PolarHBondContact O-N 3.19Å; R83-E87 VanDerWaalsContact CD-OE1 3.31Å; R83-E87 WeakPolarHBondContact CD-OE1 3.32Å; R83-E87 HydrophobicContact CG-CG 4.37Å; R83-E87 VanDerWaalsContact CG-OE1 3.24Å; R83-E87 WeakPolarHBondContact CG-OE1 3.2Å; R83-E87 IonicContact NE-OE1 2.68Å; R83-E87 PolarHBondContact O-N 2.91Å; R83-A296 PolarHBondContact NH2-O 3.25Å
84Y97.3Very high95Very high27 Ų2758.9 Ų58.911%0.10629%0.289CS..Hα-helixtrans-56-45.9-179.8179-124.6000112.7N80 I81 K86 E87 L88 L107 Q292 K295 A296N80-Y84 WeakPolarHBondContact O-CB 3.46Å; N80-Y84 PolarHBondContact O-N 2.98Å; I81-Y84 PolarHBondContact O-N 3.43Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 2.96Å; Y84-E87 PolarHBondContact O-N 2.87Å; Y84-L88 HydrophobicContact CD1-CD1 4.14Å; Y84-L88 HydrophobicContact CD2-CD1 4.33Å; Y84-L88 HydrophobicContact CD2-CG 4.29Å; Y84-L88 HydrophobicContact CE1-CD1 3.63Å; Y84-L88 HydrophobicContact CE2-CD1 3.83Å; Y84-L88 HydrophobicContact CE2-CD2 4.12Å; Y84-L88 HydrophobicContact CE2-CG 3.9Å; Y84-L88 HydrophobicContact CG-CD1 4.47Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.45Å; Y84-L88 WeakPolarHBondContact O-CG 3.5Å; Y84-L88 PolarHBondContact O-N 2.64Å; Y84-L107 HydrophobicContact CE1-CD2 4.25Å; Y84-Q292 PolarHBondContact OH-OE1 3.31Å; Y84-K295 HydrophobicContact CE2-CB 4.47Å; Y84-A296 HydrophobicContact CD1-CB 3.74Å; Y84-A296 HydrophobicContact CG-CB 3.7Å
85R96.4Very high95Very high30 Ų3060.3 Ų60.311%0.11330%0.297CS..Hα-helixtrans-57.5-44.9174.8-73.4170.2178.4169.82.3112.3I81 R83 L88 E89 Y104 L107 V110I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 3.36Å; R83-R85 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.1Å; R85-L88 PolarHBondContact O-N 3.28Å; R85-E89 WeakPolarHBondContact O-CG 3.5Å; R85-E89 PolarHBondContact O-N 2.78Å; R85-Y104 HydrophobicContact CB-CE1 4.07Å; R85-Y104 HydrophobicContact CB-CE2 4.28Å; R85-Y104 HydrophobicContact CG-CE1 4.31Å; R85-Y104 HydrophobicContact CG-CE2 4.31Å; R85-L107 HydrophobicContact CG-CB 4.04Å; R85-L107 HydrophobicContact CG-CD1 3.85Å; R85-L107 PolarHBondContact NE-O 3.31Å; R85-L107 VanDerWaalsContact NE-O 3.13Å; R85-L107 PolarHBondContact NH2-O 3.23Å; R85-V110 VanDerWaalsContact NH2-CG2 3.3Å
86K95.5Very high95.1Very high130 Ų13059.9 Ų59.957%0.56530%0.296SS*.Hα-helixtrans-67.5-34.3178.6-72.9-178.9177.7-173.20113.2K82 R83 Y84 K90K82-K86 WeakPolarHBondContact O-CG 3.42Å; K82-K86 PolarHBondContact O-N 2.73Å; R83-K86 WeakPolarHBondContact O-CB 3.41Å; R83-K86 PolarHBondContact O-N 3.19Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 2.96Å; K86-K90 WeakPolarHBondContact O-CG 3.47Å; K86-K90 PolarHBondContact O-N 3.08Å
87E95.9Very high95Very high66 Ų6662.9 Ų62.931%0.30831%0.31SS..Hα-helixtrans-65.5-48.2175.2-73.9166.1174.600110.1R83 Y84 E89 K90 E91R83-E87 VanDerWaalsContact CD-OE1 3.31Å; R83-E87 WeakPolarHBondContact CD-OE1 3.32Å; R83-E87 HydrophobicContact CG-CG 4.37Å; R83-E87 VanDerWaalsContact CG-OE1 3.24Å; R83-E87 WeakPolarHBondContact CG-OE1 3.2Å; R83-E87 IonicContact NE-OE1 2.68Å; R83-E87 PolarHBondContact O-N 2.91Å; Y84-E87 PolarHBondContact O-N 2.87Å; E87-E89 VanDerWaalsContact C-N 3.29Å; E87-E89 PolarHBondContact O-N 2.98Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 PolarHBondContact O-N 2.89Å; E87-E91 WeakPolarHBondContact O-CG 2.95Å; E87-E91 PolarHBondContact O-N 3.13Å
88L95.6Very high94.9Very high12 Ų1266.9 Ų66.96%0.06333%0.327CS..Hα-helixtrans-61.2-34.8175.9-69.4176.6000113.5Y84 R85 E91 G92 S93 L95 A96 L107Y84-L88 HydrophobicContact CD1-CD1 4.14Å; Y84-L88 HydrophobicContact CD2-CD1 4.33Å; Y84-L88 HydrophobicContact CD2-CG 4.29Å; Y84-L88 HydrophobicContact CE1-CD1 3.63Å; Y84-L88 HydrophobicContact CE2-CD1 3.83Å; Y84-L88 HydrophobicContact CE2-CD2 4.12Å; Y84-L88 HydrophobicContact CE2-CG 3.9Å; Y84-L88 HydrophobicContact CG-CD1 4.47Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.45Å; Y84-L88 WeakPolarHBondContact O-CG 3.5Å; Y84-L88 PolarHBondContact O-N 2.64Å; R85-L88 PolarHBondContact O-N 3.28Å; L88-E91 PolarHBondContact O-N 2.82Å; L88-G92 PolarHBondContact O-N 3.48Å; L88-S93 WeakPolarHBondContact O-CB 3.32Å; L88-S93 PolarHBondContact O-N 3.14Å; L88-L95 HydrophobicContact CD1-CB 4.04Å; L88-A96 HydrophobicContact CB-CB 3.91Å; L88-L107 HydrophobicContact CD1-CD1 3.54Å
89E94.7Very high94.8Very high73 Ų7369.2 Ų69.234%0.34134%0.339SS..Hα-helixtrans-62.1-44.8172.3-75.1177147.100111.8R85 E87 E91 G92 A96 K98 Y104R85-E89 WeakPolarHBondContact O-CG 3.5Å; R85-E89 PolarHBondContact O-N 2.78Å; E87-E89 VanDerWaalsContact C-N 3.29Å; E87-E89 PolarHBondContact O-N 2.98Å; E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å; E89-G92 PolarHBondContact O-N 2.96Å; E89-A96 HydrophobicContact CB-CB 4.38Å; E89-A96 HydrophobicContact CG-CB 3.75Å; E89-K98 WeakPolarHBondContact OE1-CE 3.47Å; E89-K98 IonicContact OE1-NZ 3.73Å; E89-K98 PolarHBondContact OE1-NZ 3.25Å; E89-Y104 HydrophobicContact CG-CE1 4.24Å; E89-Y104 PolarHBondContact OE1-OH 2.87Å; E89-Y104 PolarHBondContact OE2-OH 2.8Å
90K95.3Very high94.6Very high183 Ų18373.2 Ų73.280%0.79636%0.357SS*.Hα-helixtrans-66-34.1178.9-71.4173-179.9-176.10112.2K86 E87 G92K86-K90 WeakPolarHBondContact O-CG 3.47Å; K86-K90 PolarHBondContact O-N 3.08Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 PolarHBondContact O-N 2.89Å; K90-G92 PolarHBondContact O-N 3.22Å
91E94.4Very high94.1Very high145 Ų14579.3 Ų79.368%0.67839%0.39SS*.THydrogen-bonded Turntrans-77.5-7.5176.8-68.7171.1-174.900113.1E87 L88 E89 S93E87-E91 WeakPolarHBondContact O-CG 2.95Å; E87-E91 PolarHBondContact O-N 3.13Å; L88-E91 PolarHBondContact O-N 2.82Å; E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å; E91-S93 PolarHBondContact O-N 3.13Å
92G91.6Very high93.6Very high63 Ų6381.4 Ų81.465%0.64941%0.411SS*.THydrogen-bonded Turntrans67.724.5-176.400000113.4L88 E89 K90L88-G92 PolarHBondContact O-N 3.48Å; E89-G92 PolarHBondContact O-N 2.96Å; K90-G92 PolarHBondContact O-N 3.22Å
93S93.3Very high93.4Very high37 Ų3782.2 Ų82.226%0.25941%0.414SS..  trans-66.8136.3-179.4-178.40000111.4L88 E91 L95 A96L88-S93 WeakPolarHBondContact O-CB 3.32Å; L88-S93 PolarHBondContact O-N 3.14Å; E91-S93 PolarHBondContact O-N 3.13Å; S93-L95 PolarHBondContact O-N 2.84Å; S93-L95 VanDerWaalsContact O-N 3.07Å; S93-L95 PolarHBondContact OG-N 3.26Å; S93-A96 WeakPolarHBondContact O-CB 3.43Å; S93-A96 PolarHBondContact O-N 2.89Å
94L91.9Very high93.2Very high140 Ų14080.8 Ų80.873%0.73341%0.409SS*.G310 helixtrans-58.4-22.3173.3-63.1177.2000112.6A96 E97 Y106L94-A96 PolarHBondContact O-N 2.78Å; L94-E97 VanDerWaalsContact O-CB 3.23Å; L94-E97 WeakPolarHBondContact O-CB 3.12Å; L94-E97 PolarHBondContact O-N 3.43Å; L94-E97 VanDerWaalsContact O-N 3.15Å; L94-Y106 WeakPolarHBondContact O-CD2 3.26Å; L94-Y106 WeakPolarHBondContact O-CE2 3.49Å
95L92.2Very high93Very high46 Ų4683.4 Ų83.424%0.24142%0.424CS..G310 helixtrans-67-24.1176.8-58.4-170000112.9L88 S93 E97 L107 W288L88-L95 HydrophobicContact CD1-CB 4.04Å; S93-L95 PolarHBondContact O-N 2.84Å; S93-L95 VanDerWaalsContact O-N 3.07Å; S93-L95 PolarHBondContact OG-N 3.26Å; L95-E97 VanDerWaalsContact C-N 3.28Å; L95-L107 HydrophobicContact CB-CD1 4.47Å; L95-L107 WeakPolarHBondContact O-CD1 3.32Å; L95-L107 WeakPolarHBondContact O-CG 3.47Å; L95-W288 HydrophobicContact CD1-CH2 3.99Å; L95-W288 HydrophobicContact CD1-CZ2 4.49Å; L95-W288 HydrophobicContact CD2-CH2 3.48Å; L95-W288 VanDerWaalsContact CD2-CH2 3.48Å; L95-W288 HydrophobicContact CD2-CZ2 3.99Å; L95-W288 HydrophobicContact CG-CH2 4.33Å
96A93.1Very high92.9Very high11 Ų1186.6 Ų86.69%0.09144%0.437CS..G310 helixtrans-87.17.7176.400000113.4L88 E89 S93 L94 K98 Y104L88-A96 HydrophobicContact CB-CB 3.91Å; E89-A96 HydrophobicContact CB-CB 4.38Å; E89-A96 HydrophobicContact CG-CB 3.75Å; S93-A96 WeakPolarHBondContact O-CB 3.43Å; S93-A96 PolarHBondContact O-N 2.89Å; L94-A96 PolarHBondContact O-N 2.78Å; A96-K98 PolarHBondContact O-N 2.84Å; A96-Y104 HydrophobicContact CB-CE1 4.29Å
97E93.9Very high92.9Very high90 Ų9080.4 Ų80.442%0.42141%0.41SS..  trans-56.6136.9177-168.6-176.517300111.4L94 L95 Y104 I105 Y106L94-E97 VanDerWaalsContact O-CB 3.23Å; L94-E97 WeakPolarHBondContact O-CB 3.12Å; L94-E97 PolarHBondContact O-N 3.43Å; L94-E97 VanDerWaalsContact O-N 3.15Å; L95-E97 VanDerWaalsContact C-N 3.28Å; E97-Y104 WeakPolarHBondContact O-CA 3.42Å; E97-I105 HydrophobicContact CB-CD1 4.38Å; E97-I105 HydrophobicContact CG-CD1 3.76Å; E97-I105 PolarHBondContact O-N 3.15Å; E97-Y106 HydrophobicContact CB-CD2 4.41Å; E97-Y106 HydrophobicContact CB-CE2 4.11Å
98K94.1Very high92.8Very high89 Ų8978.4 Ų78.439%0.38740%0.401SS..BIsolated β-bridgetrans-117146.2179.5-69.7175.3-179.8171.50111.2E89 A96 G102 K103 Y104E89-K98 WeakPolarHBondContact OE1-CE 3.47Å; E89-K98 IonicContact OE1-NZ 3.73Å; E89-K98 PolarHBondContact OE1-NZ 3.25Å; A96-K98 PolarHBondContact O-N 2.84Å; K98-G102 WeakPolarHBondContact CD-O 3.46Å; K98-K103 CarbonylContact C-O 3.5Å; K98-K103 WeakPolarHBondContact CA-O 3.48Å; K98-Y104 VanDerWaalsContact CE-CZ 3.47Å; K98-Y104 HydrophobicContact CG-CD1 4.15Å; K98-Y104 HydrophobicContact CG-CE1 4.36Å; K98-Y104 HydrophobicContact CG-CG 4.43Å
99D93.1Very high92.9Very high58 Ų5878.1 Ų78.131%0.3140%0.4SS..  trans-72.8176.8170.577.61.1000112N101 G102 K103 I105D99-N101 PolarHBondContact O-N 2.93Å; D99-N101 VanDerWaalsContact OD1-CA 3.31Å; D99-N101 WeakPolarHBondContact OD1-CA 3.18Å; D99-N101 WeakPolarHBondContact OD1-CB 3.42Å; D99-N101 PolarHBondContact OD1-N 2.96Å; D99-G102 PolarHBondContact O-N 2.85Å; D99-G102 PolarHBondContact OD1-N 3.48Å; D99-G102 VanDerWaalsContact OD1-N 3.09Å; D99-K103 PolarHBondContact N-O 3.16Å; D99-K103 WeakPolarHBondContact OD1-CB 3.45Å; D99-K103 PolarHBondContact OD1-N 3.33Å; D99-I105 HydrophobicContact CB-CG1 4.35Å
100K91.3Very high93Very high202 Ų20275 Ų7588%0.87839%0.386SS*.THydrogen-bonded Turntrans-57.8-17.6176.963.8-178.9-179.8179.40115
101N86.7Confident93Very high129 Ų12967 Ų6769%0.6935%0.353SS*.THydrogen-bonded Turntrans-99.15.3179-52.9-50.2000111.8D99 K103D99-N101 PolarHBondContact O-N 2.93Å; D99-N101 VanDerWaalsContact OD1-CA 3.31Å; D99-N101 WeakPolarHBondContact OD1-CA 3.18Å; D99-N101 WeakPolarHBondContact OD1-CB 3.42Å; D99-N101 PolarHBondContact OD1-N 2.96Å; N101-K103 VanDerWaalsContact C-N 3.34Å
102G87.6Confident93Very high44 Ų4462.9 Ų62.945%0.45434%0.337SS..SBendtrans78.713.8-178.900000114.3K98 D99K98-G102 WeakPolarHBondContact CD-O 3.46Å; D99-G102 PolarHBondContact O-N 2.85Å; D99-G102 PolarHBondContact OD1-N 3.48Å; D99-G102 VanDerWaalsContact OD1-N 3.09Å
103K90.1Very high93.2Very high88 Ų8860.1 Ų60.138%0.38331%0.308SS..  trans-91.3135.9179.2-158.6-173.2-145.9-157.80110.4K98 D99 N101 I105 D108K98-K103 CarbonylContact C-O 3.5Å; K98-K103 WeakPolarHBondContact CA-O 3.48Å; D99-K103 PolarHBondContact N-O 3.16Å; D99-K103 WeakPolarHBondContact OD1-CB 3.45Å; D99-K103 PolarHBondContact OD1-N 3.33Å; N101-K103 VanDerWaalsContact C-N 3.34Å; K103-I105 PolarHBondContact O-N 3.04Å; K103-D108 HydrophobicContact CD-CB 4.37Å; K103-D108 WeakPolarHBondContact CD-OD2 3.39Å; K103-D108 VanDerWaalsContact CE-OD1 3.25Å; K103-D108 WeakPolarHBondContact CE-OD1 3.18Å; K103-D108 WeakPolarHBondContact CE-OD2 3.4Å; K103-D108 HydrophobicContact CG-CB 4.13Å; K103-D108 IonicContact NZ-OD1 2.81Å; K103-D108 IonicContact NZ-OD2 3.89Å; K103-D108 PolarHBondContact NZ-OD2 3.45Å
104Y93.4Very high93.3Very high34 Ų3459.4 Ų59.413%0.13330%0.3CS..BIsolated β-bridgetrans-60.1136.2176-67.2-85.8000111.1R85 E89 A96 E97 K98 L107 D108R85-Y104 HydrophobicContact CB-CE1 4.07Å; R85-Y104 HydrophobicContact CB-CE2 4.28Å; R85-Y104 HydrophobicContact CG-CE1 4.31Å; R85-Y104 HydrophobicContact CG-CE2 4.31Å; E89-Y104 HydrophobicContact CG-CE1 4.24Å; E89-Y104 PolarHBondContact OE1-OH 2.87Å; E89-Y104 PolarHBondContact OE2-OH 2.8Å; A96-Y104 HydrophobicContact CB-CE1 4.29Å; E97-Y104 WeakPolarHBondContact O-CA 3.42Å; K98-Y104 VanDerWaalsContact CE-CZ 3.47Å; K98-Y104 HydrophobicContact CG-CD1 4.15Å; K98-Y104 HydrophobicContact CG-CE1 4.36Å; K98-Y104 HydrophobicContact CG-CG 4.43Å; Y104-L107 HydrophobicContact CD1-CB 4.38Å; Y104-L107 HydrophobicContact CG-CB 4.26Å; Y104-D108 WeakPolarHBondContact O-CB 3.13Å
105I92.8Very high93.2Very high82 Ų8255.1 Ų55.142%0.42128%0.277SS..SBendtrans-78.2-48.7178.8-62.1-179.7000109.9E97 D99 K103E97-I105 HydrophobicContact CB-CD1 4.38Å; E97-I105 HydrophobicContact CG-CD1 3.76Å; E97-I105 PolarHBondContact O-N 3.15Å; D99-I105 HydrophobicContact CB-CG1 4.35Å; K103-I105 PolarHBondContact O-N 3.04Å
106Y93.6Very high93.1Very high96 Ų9653.7 Ų53.738%0.37627%0.269SS..SBendtrans-95.7-25.2-174.7-53.7-74.6000113.3L94 E97 W288L94-Y106 WeakPolarHBondContact O-CD2 3.26Å; L94-Y106 WeakPolarHBondContact O-CE2 3.49Å; E97-Y106 HydrophobicContact CB-CD2 4.41Å; E97-Y106 HydrophobicContact CB-CE2 4.11Å; Y106-W288 PolarHBondContact O-NE1 3.46Å
107L95.5Very high92.8Very high1 Ų158.7 Ų58.71%0.00530%0.301CS..SBendtrans-105.67.9-172.8-60.3173.2000113.7Y84 R85 L88 L95 Y104 F109 Q292Y84-L107 HydrophobicContact CE1-CD2 4.25Å; R85-L107 HydrophobicContact CG-CB 4.04Å; R85-L107 HydrophobicContact CG-CD1 3.85Å; R85-L107 PolarHBondContact NE-O 3.31Å; R85-L107 VanDerWaalsContact NE-O 3.13Å; R85-L107 PolarHBondContact NH2-O 3.23Å; L88-L107 HydrophobicContact CD1-CD1 3.54Å; L95-L107 HydrophobicContact CB-CD1 4.47Å; L95-L107 WeakPolarHBondContact O-CD1 3.32Å; L95-L107 WeakPolarHBondContact O-CG 3.47Å; Y104-L107 HydrophobicContact CD1-CB 4.38Å; Y104-L107 HydrophobicContact CG-CB 4.26Å; L107-F109 VanDerWaalsContact C-CD1 3.43Å; L107-F109 VanDerWaalsContact C-N 3.33Å; L107-F109 HydrophobicContact CB-CE1 4.15Å; L107-F109 HydrophobicContact CD2-CE1 3.82Å; L107-F109 VanDerWaalsContact O-CD1 3.27Å; L107-F109 WeakPolarHBondContact O-CD1 3.41Å; L107-F109 WeakPolarHBondContact O-CE1 3.39Å; L107-F109 PolarHBondContact O-N 3.13Å; L107-F109 VanDerWaalsContact O-N 3.1Å; L107-Q292 HydrophobicContact CD2-CB 4.21Å; L107-Q292 HydrophobicContact CD2-CG 4.06Å
108D95.4Very high92.5Very high23 Ų2358.5 Ų58.512%0.12332%0.315CS..  trans-85.567.9179.2177.150.2000112.5K103 Y104 K322K103-D108 HydrophobicContact CD-CB 4.37Å; K103-D108 WeakPolarHBondContact CD-OD2 3.39Å; K103-D108 VanDerWaalsContact CE-OD1 3.25Å; K103-D108 WeakPolarHBondContact CE-OD1 3.18Å; K103-D108 WeakPolarHBondContact CE-OD2 3.4Å; K103-D108 HydrophobicContact CG-CB 4.13Å; K103-D108 IonicContact NZ-OD1 2.81Å; K103-D108 IonicContact NZ-OD2 3.89Å; K103-D108 PolarHBondContact NZ-OD2 3.45Å; Y104-D108 WeakPolarHBondContact O-CB 3.13Å; D108-K322 VanDerWaalsContact CG-NZ 3.35Å; D108-K322 WeakPolarHBondContact O-CE 3.49Å; D108-K322 PolarHBondContact O-NZ 3.15Å; D108-K322 IonicContact OD1-NZ 3.75Å; D108-K322 IonicContact OD2-NZ 3.64Å; D108-K322 PolarHBondContact OD2-NZ 3.32Å
109F96.5Very high92.3Very high7 Ų755.5 Ų55.53%0.03130%0.303CS..  trans-122.92.2-175.556.3-102.8000115.4I81 L107 I289 Q292 W324 L325I81-F109 HydrophobicContact CD1-CE2 3.98Å; I81-F109 HydrophobicContact CG1-CE2 4.5Å; I81-F109 HydrophobicContact CG2-CE2 4.46Å; I81-F109 HydrophobicContact CG2-CZ 4.33Å; L107-F109 VanDerWaalsContact C-CD1 3.43Å; L107-F109 VanDerWaalsContact C-N 3.33Å; L107-F109 HydrophobicContact CB-CE1 4.15Å; L107-F109 HydrophobicContact CD2-CE1 3.82Å; L107-F109 VanDerWaalsContact O-CD1 3.27Å; L107-F109 WeakPolarHBondContact O-CD1 3.41Å; L107-F109 WeakPolarHBondContact O-CE1 3.39Å; L107-F109 PolarHBondContact O-N 3.13Å; L107-F109 VanDerWaalsContact O-N 3.1Å; F109-I289 HydrophobicContact CB-CB 4.47Å; F109-I289 HydrophobicContact CB-CD1 3.59Å; F109-I289 HydrophobicContact CB-CG1 3.43Å; F109-I289 VanDerWaalsContact CB-CG1 3.43Å; F109-I289 HydrophobicContact CB-CG2 4.44Å; F109-I289 HydrophobicContact CD1-CG1 4.43Å; F109-I289 HydrophobicContact CD2-CG1 4.29Å; F109-I289 HydrophobicContact CD2-CG2 3.93Å; F109-I289 HydrophobicContact CG-CB 4.48Å; F109-I289 HydrophobicContact CG-CD1 4.46Å; F109-I289 HydrophobicContact CG-CG1 3.84Å; F109-I289 HydrophobicContact CG-CG2 4.34Å; F109-Q292 HydrophobicContact CE1-CB 3.85Å; F109-Q292 HydrophobicContact CZ-CB 3.92Å; F109-W324 WeakPolarHBondContact O-CA 3.47Å; F109-L325 HydrophobicContact CD2-CB 4.42Å; F109-L325 PolarHBondContact O-N 3.35Å
110V96.9Very high92.2Very high8 Ų856 Ų565%0.04830%0.301CS..SBendtrans-116.3140.4169.9-72.90000109.3I78 I81 R85 L325I78-V110 HydrophobicContact CD1-CB 3.94Å; I78-V110 HydrophobicContact CD1-CG1 4.12Å; I78-V110 HydrophobicContact CD1-CG2 4.05Å; I81-V110 HydrophobicContact CD1-CG1 3.68Å; I81-V110 HydrophobicContact CD1-CG2 4.47Å; I81-V110 HydrophobicContact CG2-CG2 4.13Å; R85-V110 VanDerWaalsContact NH2-CG2 3.3Å; V110-L325 HydrophobicContact CG1-CB 3.99Å; V110-L325 HydrophobicContact CG1-CD2 4.24Å; V110-L325 HydrophobicContact CG1-CG 4.38Å
111P95.8Very high92.2Very high15 Ų1552 Ų5210%0.09729%0.289CS..  trans-57149.2173.7-23.833.7000111.7T113 I185 W324 L325 I326P111-T113 PolarHBondContact O-N 3.37Å; P111-T113 VanDerWaalsContact O-N 3.08Å; P111-T113 PolarHBondContact O-OG1 2.92Å; P111-I185 HydrophobicContact CG-CD1 4.28Å; P111-I185 HydrophobicContact CG-CG1 4.49Å; P111-W324 HydrophobicContact CG-CE3 4.34Å; P111-L325 WeakPolarHBondContact CD-O 3.12Å; P111-I326 HydrophobicContact CG-CD1 4.15Å
112V94.8Very high92.5Very high57 Ų5750.2 Ų50.235%0.34528%0.279SS..  trans-54.2119.7173.7179.30000108.5F114 E126 W135 S182 L183V112-F114 HydrophobicContact CG1-CD2 4.48Å; V112-F114 HydrophobicContact CG1-CE2 3.63Å; V112-F114 HydrophobicContact CG1-CZ 3.83Å; V112-E126 HydrophobicContact CG1-CG 4.4Å; V112-W135 HydrophobicContact CB-CH2 4.39Å; V112-W135 HydrophobicContact CG1-CH2 4Å; V112-W135 HydrophobicContact CG1-CZ3 4.28Å; V112-S182 CarbonylContact O-C 3.42Å; V112-S182 VanDerWaalsContact O-CA 3.29Å; V112-S182 WeakPolarHBondContact O-CA 3.43Å; V112-L183 HydrophobicContact CB-CB 4.24Å; V112-L183 PolarHBondContact O-N 3.39Å
113T95.4Very high92.8Very high6 Ų648.1 Ų48.14%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-138138.2-170.4-59.40000111.5I78 K82 P111 V180 I181 S182I78-T113 HydrophobicContact CD1-CG2 4.49Å; I78-T113 HydrophobicContact CG1-CG2 4Å; I78-T113 HydrophobicContact CG2-CG2 4.29Å; K82-T113 PolarHBondContact NZ-O 3.23Å; P111-T113 PolarHBondContact O-N 3.37Å; P111-T113 VanDerWaalsContact O-N 3.08Å; P111-T113 PolarHBondContact O-OG1 2.92Å; T113-V180 HydrophobicContact CG2-CB 3.92Å; T113-V180 HydrophobicContact CG2-CG1 4.36Å; T113-I181 CarbonylContact C-O 3.04Å; T113-I181 VanDerWaalsContact CA-O 3.3Å; T113-I181 WeakPolarHBondContact CA-O 3.39Å; T113-S182 VanDerWaalsContact CG2-OG 3.23Å; T113-S182 WeakPolarHBondContact CG2-OG 3.36Å; T113-S182 WeakPolarHBondContact OG1-CB 3.47Å; T113-S182 PolarHBondContact OG1-OG 3.4Å
114F94.3Very high93Very high21 Ų2144.4 Ų44.49%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-126146.6179.6-58.3-79000110.6V112 D119 L122 F123 E126 W135 V180 I181V112-F114 HydrophobicContact CG1-CD2 4.48Å; V112-F114 HydrophobicContact CG1-CE2 3.63Å; V112-F114 HydrophobicContact CG1-CZ 3.83Å; F114-D119 HydrophobicContact CB-CB 3.72Å; F114-D119 HydrophobicContact CD1-CB 4.06Å; F114-D119 HydrophobicContact CG-CB 4.37Å; F114-L122 HydrophobicContact CD1-CB 4Å; F114-L122 HydrophobicContact CE1-CB 3.84Å; F114-F123 HydrophobicContact CB-CB 4.05Å; F114-F123 HydrophobicContact CD2-CB 3.74Å; F114-F123 AromaticContact CD2-CD2 3.93Å; F114-F123 HydrophobicContact CD2-CD2 3.93Å; F114-F123 HydrophobicContact CD2-CG 4.33Å; F114-F123 HydrophobicContact CE2-CB 4.28Å; F114-F123 HydrophobicContact CE2-CD2 4.32Å; F114-F123 HydrophobicContact CG-CB 3.86Å; F114-E126 HydrophobicContact CE2-CB 3.92Å; F114-E126 HydrophobicContact CE2-CG 4.11Å; F114-E126 HydrophobicContact CZ-CB 3.75Å; F114-E126 HydrophobicContact CZ-CG 4.02Å; F114-W135 HydrophobicContact CD2-CH2 4.26Å; F114-W135 AromaticContact CD2-CZ3 3.85Å; F114-W135 HydrophobicContact CD2-CZ3 3.85Å; F114-W135 AromaticContact CE2-CH2 3.7Å; F114-W135 HydrophobicContact CE2-CH2 3.7Å; F114-W135 AromaticContact CE2-CZ3 3.76Å; F114-W135 HydrophobicContact CE2-CZ3 3.76Å; F114-V180 WeakPolarHBondContact O-CA 3.11Å; F114-I181 HydrophobicContact CB-CG2 3.76Å; F114-I181 HydrophobicContact CD2-CG2 4.49Å; F114-I181 PolarHBondContact N-O 3.3Å; F114-I181 PolarHBondContact O-N 2.96Å
115M91.8Very high93Very high51 Ų5148 Ų4825%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-96.2118.7179.1-62.1171.7-6600110.1D75 A118 D119D75-M115 HydrophobicContact CB-CG 4.32Å; D75-M115 HydrophobicContact CB-SD 4.3Å; M115-A118 PolarHBondContact O-N 2.82Å; M115-D119 WeakPolarHBondContact CE-OD2 3.46Å; M115-D119 PolarHBondContact N-OD2 3.26Å; M115-D119 WeakPolarHBondContact O-CB 3.23Å; M115-D119 PolarHBondContact O-N 2.82Å
116L88.6Confident93Very high15 Ų1547.2 Ų47.28%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-95.4140.3178.7-61.7-178.1000110.9Y120 M137 Y179 I181L116-Y120 HydrophobicContact CD2-CD2 4.22Å; L116-M137 HydrophobicContact CD1-CE 3.71Å; L116-M137 HydrophobicContact CD1-SD 4.47Å; L116-Y179 PolarHBondContact N-O 2.5Å; L116-I181 HydrophobicContact CD1-CB 4.11Å; L116-I181 HydrophobicContact CD1-CG2 3.92Å; L116-I181 HydrophobicContact CD2-CG2 4.14Å; L116-I181 HydrophobicContact CG-CB 4.47Å; L116-I181 HydrophobicContact CG-CG2 3.86Å
117P87.2Confident92.9Very high116 Ų11643.2 Ų43.275%0.75324%0.239SC*.THydrogen-bonded Turncis-87.6-7.46.734.2-36.1000115.6D119 Y120P117-D119 PolarHBondContact O-N 2.63Å; P117-Y120 WeakPolarHBondContact O-CB 3.49Å; P117-Y120 PolarHBondContact O-N 3.1Å
118A87.3Confident92.8Very high87 Ų8751.2 Ų51.272%0.71927%0.269SS*.THydrogen-bonded Turntrans-59.1-43-16900000114.4M115M115-A118 PolarHBondContact O-N 2.82Å
119D91.1Very high92.6Very high25 Ų2557.4 Ų57.413%0.13430%0.295CS..THydrogen-bonded Turntrans-95.516.3-176.4-64.8-21.8000112.6F114 M115 P117 N121 L122 F123F114-D119 HydrophobicContact CB-CB 3.72Å; F114-D119 HydrophobicContact CD1-CB 4.06Å; F114-D119 HydrophobicContact CG-CB 4.37Å; M115-D119 WeakPolarHBondContact CE-OD2 3.46Å; M115-D119 PolarHBondContact N-OD2 3.26Å; M115-D119 WeakPolarHBondContact O-CB 3.23Å; M115-D119 PolarHBondContact O-N 2.82Å; P117-D119 PolarHBondContact O-N 2.63Å; D119-N121 VanDerWaalsContact C-N 3.32Å; D119-N121 PolarHBondContact O-N 3.05Å; D119-L122 HydrophobicContact CB-CD1 4.45Å; D119-L122 PolarHBondContact O-N 3.49Å; D119-F123 PolarHBondContact O-N 3.46Å
120Y90.1Very high92.2Very high70 Ų7061 Ų6128%0.27531%0.314SS..Hα-helixtrans-56.6-43.5-173.8176.1-98.4000112.9L116 P117 F123 V124 I157L116-Y120 HydrophobicContact CD2-CD2 4.22Å; P117-Y120 WeakPolarHBondContact O-CB 3.49Å; P117-Y120 PolarHBondContact O-N 3.1Å; Y120-F123 PolarHBondContact O-N 2.91Å; Y120-V124 HydrophobicContact CD1-CG2 4.19Å; Y120-V124 HydrophobicContact CD2-CG2 4.45Å; Y120-V124 HydrophobicContact CE1-CG2 3.71Å; Y120-V124 HydrophobicContact CE2-CG2 4Å; Y120-V124 WeakPolarHBondContact O-CG2 3.49Å; Y120-V124 PolarHBondContact O-N 3.36Å; Y120-I157 HydrophobicContact CE2-CG2 4.12Å
121N91.9Very high91.7Very high118 Ų11864.5 Ų64.563%0.63134%0.338SS*.Hα-helixtrans-65.8-42.9-179.6-66.6-25.4000111.8D119 F123 V124 E125D119-N121 VanDerWaalsContact C-N 3.32Å; D119-N121 PolarHBondContact O-N 3.05Å; N121-F123 VanDerWaalsContact C-N 3.31Å; N121-F123 PolarHBondContact O-N 3.1Å; N121-V124 PolarHBondContact O-N 3.14Å; N121-V124 VanDerWaalsContact O-N 3.16Å; N121-E125 WeakPolarHBondContact O-CG 3.49Å; N121-E125 PolarHBondContact O-N 3.41Å
122L93.3Very high91.3Very high90 Ų9068.5 Ų68.547%0.47137%0.366SS..Hα-helixtrans-61.4-41.6175.8-64174.3000111.4F114 D119 E125 E126F114-L122 HydrophobicContact CD1-CB 4Å; F114-L122 HydrophobicContact CE1-CB 3.84Å; D119-L122 HydrophobicContact CB-CD1 4.45Å; D119-L122 PolarHBondContact O-N 3.49Å; L122-E125 PolarHBondContact O-N 2.99Å; L122-E126 PolarHBondContact O-N 3.34Å
123F93.8Very high91Very high0 Ų066.2 Ų66.20%035%0.352CS..Hα-helixtrans-61.6-44.9173.9161.7-100.8000111.7F114 D119 Y120 N121 E125 E126 F127 W135 I151 L154 I157 I181F114-F123 HydrophobicContact CB-CB 4.05Å; F114-F123 HydrophobicContact CD2-CB 3.74Å; F114-F123 AromaticContact CD2-CD2 3.93Å; F114-F123 HydrophobicContact CD2-CD2 3.93Å; F114-F123 HydrophobicContact CD2-CG 4.33Å; F114-F123 HydrophobicContact CE2-CB 4.28Å; F114-F123 HydrophobicContact CE2-CD2 4.32Å; F114-F123 HydrophobicContact CG-CB 3.86Å; D119-F123 PolarHBondContact O-N 3.46Å; Y120-F123 PolarHBondContact O-N 2.91Å; N121-F123 VanDerWaalsContact C-N 3.31Å; N121-F123 PolarHBondContact O-N 3.1Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 2.62Å; F123-E126 PolarHBondContact O-N 3.13Å; F123-F127 HydrophobicContact CE1-CB 4.45Å; F123-F127 HydrophobicContact CE2-CB 4.11Å; F123-F127 HydrophobicContact CE2-CD2 4.05Å; F123-F127 HydrophobicContact CZ-CB 3.98Å; F123-F127 AromaticContact CZ-CD2 3.69Å; F123-F127 HydrophobicContact CZ-CD2 3.69Å; F123-F127 HydrophobicContact CZ-CG 4.09Å; F123-F127 VanDerWaalsContact O-CB 3.32Å; F123-F127 WeakPolarHBondContact O-CB 3.23Å; F123-F127 PolarHBondContact O-N 3.03Å; F123-W135 HydrophobicContact CD2-CD2 4.26Å; F123-W135 HydrophobicContact CD2-CE3 4.05Å; F123-W135 HydrophobicContact CD2-CH2 4.39Å; F123-W135 HydrophobicContact CD2-CZ3 4.12Å; F123-W135 AromaticContact CE2-CD2 3.58Å; F123-W135 HydrophobicContact CE2-CD2 3.58Å; F123-W135 AromaticContact CE2-CE2 3.81Å; F123-W135 AromaticContact CE2-CE3 3.8Å; F123-W135 HydrophobicContact CE2-CE3 3.8Å; F123-W135 AromaticContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CH2 4.49Å; F123-W135 HydrophobicContact CE2-CZ2 4.27Å; F123-W135 HydrophobicContact CE2-CZ3 4.26Å; F123-I151 HydrophobicContact CZ-CD1 4.15Å; F123-L154 HydrophobicContact CE1-CD2 3.54Å; F123-L154 HydrophobicContact CZ-CD2 3.99Å; F123-I157 HydrophobicContact CD1-CD1 4.01Å; F123-I157 HydrophobicContact CE1-CD1 3.17Å; F123-I157 HydrophobicContact CZ-CD1 3.68Å; F123-I181 HydrophobicContact CB-CG2 4.42Å; F123-I181 HydrophobicContact CD1-CD1 4.33Å; F123-I181 HydrophobicContact CD2-CD1 3.76Å; F123-I181 HydrophobicContact CD2-CG1 4.25Å; F123-I181 HydrophobicContact CD2-CG2 3.99Å; F123-I181 HydrophobicContact CE1-CD1 3.95Å; F123-I181 HydrophobicContact CE2-CD1 3.29Å; F123-I181 HydrophobicContact CE2-CG1 4.05Å; F123-I181 HydrophobicContact CG-CD1 4.25Å; F123-I181 HydrophobicContact CG-CG2 4.11Å; F123-I181 HydrophobicContact CZ-CD1 3.4Å
124V92.6Very high90.8Very high10 Ų1066.6 Ų66.66%0.06136%0.355CS..Hα-helixtrans-63-39.5179.7168.90000111.6Y120 N121 R128 L154Y120-V124 HydrophobicContact CD1-CG2 4.19Å; Y120-V124 HydrophobicContact CD2-CG2 4.45Å; Y120-V124 HydrophobicContact CE1-CG2 3.71Å; Y120-V124 HydrophobicContact CE2-CG2 4Å; Y120-V124 WeakPolarHBondContact O-CG2 3.49Å; Y120-V124 PolarHBondContact O-N 3.36Å; N121-V124 PolarHBondContact O-N 3.14Å; N121-V124 VanDerWaalsContact O-N 3.16Å; V124-R128 VanDerWaalsContact CG1-CZ 3.45Å; V124-R128 WeakPolarHBondContact O-CB 3.47Å; V124-R128 VanDerWaalsContact O-CG 3.24Å; V124-R128 WeakPolarHBondContact O-CG 3.31Å; V124-R128 PolarHBondContact O-N 3.32Å; V124-L154 HydrophobicContact CG1-CD1 4.27Å; V124-L154 HydrophobicContact CG2-CD2 4.23Å
125E93.4Very high90.8Very high111 Ų11165.8 Ų65.852%0.51935%0.351SS..Hα-helixtrans-61.6-46.7174.2-73.1171.5-168.700111.7N121 L122 F123 R128 K129N121-E125 WeakPolarHBondContact O-CG 3.49Å; N121-E125 PolarHBondContact O-N 3.41Å; L122-E125 PolarHBondContact O-N 2.99Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 2.62Å; E125-R128 PolarHBondContact O-N 2.82Å; E125-K129 PolarHBondContact O-N 3.23Å
126E93.1Very high90.8Very high65 Ų6563.9 Ų63.930%0.30434%0.342SS..Hα-helixtrans-65.3-42.7178.3-165.961.4-158.100112V112 F114 L122 F123 R128 K129 W135V112-E126 HydrophobicContact CG1-CG 4.4Å; F114-E126 HydrophobicContact CE2-CB 3.92Å; F114-E126 HydrophobicContact CE2-CG 4.11Å; F114-E126 HydrophobicContact CZ-CB 3.75Å; F114-E126 HydrophobicContact CZ-CG 4.02Å; L122-E126 PolarHBondContact O-N 3.34Å; F123-E126 PolarHBondContact O-N 3.13Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.79Å; E126-K129 WeakPolarHBondContact O-CB 3.46Å; E126-K129 PolarHBondContact O-N 3Å; E126-K129 VanDerWaalsContact O-N 3.14Å; E126-K129 WeakPolarHBondContact OE2-CE 3.48Å; E126-K129 IonicContact OE2-NZ 2.59Å; E126-K129 PolarHBondContact OE2-NZ 3.47Å; E126-W135 HydrophobicContact CG-CH2 4.03Å; E126-W135 HydrophobicContact CG-CZ2 4.26Å
127F92.5Very high90.9Very high11 Ų1163.2 Ų63.25%0.04834%0.338CS..Hα-helixtrans-59.9-38.4176.3-173-82.9000111.7F123 K129 N130 P131 W135 N152 L154F123-F127 HydrophobicContact CE1-CB 4.45Å; F123-F127 HydrophobicContact CE2-CB 4.11Å; F123-F127 HydrophobicContact CE2-CD2 4.05Å; F123-F127 HydrophobicContact CZ-CB 3.98Å; F123-F127 AromaticContact CZ-CD2 3.69Å; F123-F127 HydrophobicContact CZ-CD2 3.69Å; F123-F127 HydrophobicContact CZ-CG 4.09Å; F123-F127 VanDerWaalsContact O-CB 3.32Å; F123-F127 WeakPolarHBondContact O-CB 3.23Å; F123-F127 PolarHBondContact O-N 3.03Å; F127-K129 VanDerWaalsContact C-N 3.27Å; F127-K129 PolarHBondContact O-N 3.42Å; F127-N130 CarbonylContact O-C 3.51Å; F127-N130 PolarHBondContact O-N 2.96Å; F127-P131 HydrophobicContact CE1-CB 4.32Å; F127-P131 WeakPolarHBondContact O-CA 3.2Å; F127-W135 AromaticContact CD2-CD1 3.68Å; F127-W135 AromaticContact CD2-NE1 3.49Å; F127-W135 AromaticContact CE2-CD1 3.84Å; F127-W135 AromaticContact CE2-NE1 3.98Å; F127-N152 WeakPolarHBondContact CZ-O 3.46Å; F127-L154 HydrophobicContact CB-CD2 4.21Å; F127-L154 HydrophobicContact CD1-CD1 4Å; F127-L154 HydrophobicContact CD1-CD2 3.76Å; F127-L154 HydrophobicContact CD1-CG 3.65Å; F127-L154 HydrophobicContact CD2-CD2 4.27Å; F127-L154 HydrophobicContact CE1-CD1 4.43Å; F127-L154 HydrophobicContact CE1-CD2 4.25Å; F127-L154 HydrophobicContact CE1-CG 3.82Å; F127-L154 HydrophobicContact CG-CD2 3.79Å; F127-L154 HydrophobicContact CG-CG 4.22Å; F127-L154 HydrophobicContact CZ-CG 4.5Å
128R92.5Very high91Very high170 Ų17058.7 Ų58.764%0.64231%0.307SS*.Hα-helixtrans-66.8-25.1178.5-77.6170.1178.3160.3-1.5113.4V124 E125 E126 N130V124-R128 VanDerWaalsContact CG1-CZ 3.45Å; V124-R128 WeakPolarHBondContact O-CB 3.47Å; V124-R128 VanDerWaalsContact O-CG 3.24Å; V124-R128 WeakPolarHBondContact O-CG 3.31Å; V124-R128 PolarHBondContact O-N 3.32Å; E125-R128 PolarHBondContact O-N 2.82Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.79Å; R128-N130 VanDerWaalsContact C-N 3.31Å
129K91.6Very high91.1Very high153 Ų15354.6 Ų54.667%0.66527%0.273SS*.Hα-helixtrans-67.9-33.3174.6-63174.4-171.7166.50111.9E125 E126 F127E125-K129 PolarHBondContact O-N 3.23Å; E126-K129 WeakPolarHBondContact O-CB 3.46Å; E126-K129 PolarHBondContact O-N 3Å; E126-K129 VanDerWaalsContact O-N 3.14Å; E126-K129 WeakPolarHBondContact OE2-CE 3.48Å; E126-K129 IonicContact OE2-NZ 2.59Å; E126-K129 PolarHBondContact OE2-NZ 3.47Å; F127-K129 VanDerWaalsContact C-N 3.27Å; F127-K129 PolarHBondContact O-N 3.42Å
130N88.6Confident90.8Very high81 Ų8153.8 Ų53.843%0.43327%0.269SS..  trans-139.984.4174.1-175.12.6000111.4F127 R128 S132 S133F127-N130 CarbonylContact O-C 3.51Å; F127-N130 PolarHBondContact O-N 2.96Å; R128-N130 VanDerWaalsContact C-N 3.31Å; N130-S132 PolarHBondContact O-N 3.4Å; N130-S132 VanDerWaalsContact O-N 3.1Å; N130-S132 PolarHBondContact OD1-N 2.95Å; N130-S132 PolarHBondContact OD1-OG 3.01Å; N130-S133 VanDerWaalsContact O-CB 3.3Å; N130-S133 WeakPolarHBondContact O-CB 3.46Å; N130-S133 PolarHBondContact O-N 2.72Å; N130-S133 PolarHBondContact O-OG 3.06Å
131P87.1Confident90.1Very high83 Ų8353.6 Ų53.654%0.53929%0.289SS..THydrogen-bonded Turntrans-65.7-14.2-176.3-23.635.1000115F127 S133F127-P131 HydrophobicContact CE1-CB 4.32Å; F127-P131 WeakPolarHBondContact O-CA 3.2Å; P131-S133 VanDerWaalsContact C-N 3.31Å
132S85.8Confident89.5Confident98 Ų9852.7 Ų52.769%0.68528%0.279SS*.THydrogen-bonded Turntrans-84.2-7.6176.570.50000113.3N130N130-S132 PolarHBondContact O-N 3.4Å; N130-S132 VanDerWaalsContact O-N 3.1Å; N130-S132 PolarHBondContact OD1-N 2.95Å; N130-S132 PolarHBondContact OD1-OG 3.01Å
133S90.1Very high88.3Confident9 Ų950.7 Ų50.76%0.06328%0.276CS..  trans-67.4138.6-178.258.30000112.4N130 P131 W135N130-S133 VanDerWaalsContact O-CB 3.3Å; N130-S133 WeakPolarHBondContact O-CB 3.46Å; N130-S133 PolarHBondContact O-N 2.72Å; N130-S133 PolarHBondContact O-OG 3.06Å; P131-S133 VanDerWaalsContact C-N 3.31Å; S133-W135 PolarHBondContact OG-NE1 3.49Å
134T91.3Very high87Confident15 Ų1555.8 Ų55.89%0.09230%0.299CS..  trans-93.9138.3172.4-61.20000109.6L150 I151 Y184 L234T134-L150 HydrophobicContact CG2-CB 4.26Å; T134-L150 HydrophobicContact CG2-CD1 4.45Å; T134-L150 HydrophobicContact CG2-CD2 4.3Å; T134-I151 WeakPolarHBondContact CA-O 3.45Å; T134-Y184 HydrophobicContact CG2-CD1 4.26Å; T134-Y184 HydrophobicContact CG2-CG 4.24Å; T134-Y184 WeakPolarHBondContact O-CB 3.32Å; T134-Y184 PolarHBondContact O-N 3.13Å; T134-L234 HydrophobicContact CG2-CD2 3.96Å
135W92.8Very high85.8Confident4 Ų455.7 Ų55.72%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-125.1149.9179.4-62.571.5000110V112 F114 F123 E126 F127 S133 L150 I151 I181 S182 L183V112-W135 HydrophobicContact CB-CH2 4.39Å; V112-W135 HydrophobicContact CG1-CH2 4Å; V112-W135 HydrophobicContact CG1-CZ3 4.28Å; F114-W135 HydrophobicContact CD2-CH2 4.26Å; F114-W135 AromaticContact CD2-CZ3 3.85Å; F114-W135 HydrophobicContact CD2-CZ3 3.85Å; F114-W135 AromaticContact CE2-CH2 3.7Å; F114-W135 HydrophobicContact CE2-CH2 3.7Å; F114-W135 AromaticContact CE2-CZ3 3.76Å; F114-W135 HydrophobicContact CE2-CZ3 3.76Å; F123-W135 HydrophobicContact CD2-CD2 4.26Å; F123-W135 HydrophobicContact CD2-CE3 4.05Å; F123-W135 HydrophobicContact CD2-CH2 4.39Å; F123-W135 HydrophobicContact CD2-CZ3 4.12Å; F123-W135 AromaticContact CE2-CD2 3.58Å; F123-W135 HydrophobicContact CE2-CD2 3.58Å; F123-W135 AromaticContact CE2-CE2 3.81Å; F123-W135 AromaticContact CE2-CE3 3.8Å; F123-W135 HydrophobicContact CE2-CE3 3.8Å; F123-W135 AromaticContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CG 3.93Å; F123-W135 HydrophobicContact CE2-CH2 4.49Å; F123-W135 HydrophobicContact CE2-CZ2 4.27Å; F123-W135 HydrophobicContact CE2-CZ3 4.26Å; E126-W135 HydrophobicContact CG-CH2 4.03Å; E126-W135 HydrophobicContact CG-CZ2 4.26Å; F127-W135 AromaticContact CD2-CD1 3.68Å; F127-W135 AromaticContact CD2-NE1 3.49Å; F127-W135 AromaticContact CE2-CD1 3.84Å; F127-W135 AromaticContact CE2-NE1 3.98Å; S133-W135 PolarHBondContact OG-NE1 3.49Å; W135-L150 CarbonylContact O-C 3.49Å; W135-L150 WeakPolarHBondContact O-CA 3.45Å; W135-I151 HydrophobicContact CB-CD1 4.26Å; W135-I151 HydrophobicContact CB-CG1 3.74Å; W135-I151 PolarHBondContact N-O 3.02Å; W135-I151 PolarHBondContact O-N 3.43Å; W135-I181 HydrophobicContact CB-CD1 3.98Å; W135-I181 HydrophobicContact CB-CG1 3.88Å; W135-I181 HydrophobicContact CD2-CG1 4.44Å; W135-I181 HydrophobicContact CE3-CG1 3.94Å; W135-I181 HydrophobicContact CG-CD1 4.43Å; W135-I181 HydrophobicContact CG-CG1 4.45Å; W135-S182 CarbonylContact C-O 3.36Å; W135-S182 WeakPolarHBondContact CA-O 3.47Å; W135-L183 HydrophobicContact CD2-CD1 4.25Å; W135-L183 HydrophobicContact CE3-CB 4.19Å; W135-L183 HydrophobicContact CH2-CB 4.17Å; W135-L183 HydrophobicContact CH2-CD1 4.41Å; W135-L183 HydrophobicContact CZ2-CD1 3.93Å; W135-L183 HydrophobicContact CZ3-CB 4.01Å
136I91.6Very high84.7Confident11 Ų1156.9 Ų56.96%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-112.5122.2179.2-174.2163.9000109.5K138 I148 L150 S182 Y184 L241I136-K138 VanDerWaalsContact CD1-CE 3.47Å; I136-K138 HydrophobicContact CG1-CD 4.49Å; I136-K138 HydrophobicContact CG1-CG 4.03Å; I136-I148 HydrophobicContact CD1-CG2 3.62Å; I136-I148 HydrophobicContact CG1-CG2 3.58Å; I136-L150 HydrophobicContact CB-CD2 3.64Å; I136-L150 HydrophobicContact CD1-CD2 4.03Å; I136-L150 HydrophobicContact CG1-CD2 3.82Å; I136-S182 WeakPolarHBondContact CG2-O 3.26Å; I136-S182 PolarHBondContact N-O 3.03Å; I136-S182 PolarHBondContact O-N 2.8Å; I136-Y184 HydrophobicContact CB-CD2 4.16Å; I136-Y184 HydrophobicContact CD1-CD2 4.24Å; I136-Y184 HydrophobicContact CD1-CE2 4.46Å; I136-Y184 HydrophobicContact CG2-CD2 4.42Å; I136-L241 HydrophobicContact CD1-CD2 4.2Å
137M91.1Very high84Confident0 Ų055.6 Ų55.60%031%0.309CS..EExtended strand (participates in β ladder)trans-91.9131.4173.4-70-158.657.600109.5L116 I148 F149 I151 I157 W160 Y179 V180 I181L116-M137 HydrophobicContact CD1-CE 3.71Å; L116-M137 HydrophobicContact CD1-SD 4.47Å; M137-I148 VanDerWaalsContact O-CA 3.29Å; M137-I148 WeakPolarHBondContact O-CA 3.44Å; M137-F149 HydrophobicContact CB-CD1 4.12Å; M137-F149 HydrophobicContact CB-CD2 4.07Å; M137-F149 HydrophobicContact CB-CE1 3.75Å; M137-F149 HydrophobicContact CB-CE2 3.71Å; M137-F149 HydrophobicContact CB-CG 4.27Å; M137-F149 HydrophobicContact CB-CZ 3.55Å; M137-F149 HydrophobicContact CE-CE1 4.5Å; M137-F149 HydrophobicContact CE-CE2 4.4Å; M137-F149 HydrophobicContact CE-CZ 3.75Å; M137-F149 HydrophobicContact CG-CD2 4.39Å; M137-F149 HydrophobicContact CG-CE2 3.77Å; M137-F149 HydrophobicContact CG-CZ 3.88Å; M137-F149 PolarHBondContact N-O 3.13Å; M137-F149 PolarHBondContact O-N 3.3Å; M137-F149 HydrophobicContact SD-CD2 4.47Å; M137-F149 HydrophobicContact SD-CE1 4.39Å; M137-F149 HydrophobicContact SD-CE2 3.36Å; M137-F149 WeakPolarHBondContact SD-CE2 3.4Å; M137-F149 HydrophobicContact SD-CZ 3.32Å; M137-F149 WeakPolarHBondContact SD-CZ 3.27Å; M137-I151 HydrophobicContact CG-CG2 4.48Å; M137-I151 HydrophobicContact SD-CD1 4.47Å; M137-I151 HydrophobicContact SD-CG2 4.41Å; M137-I157 HydrophobicContact SD-CG1 4.29Å; M137-W160 HydrophobicContact CE-CD2 4.33Å; M137-W160 HydrophobicContact CE-CE3 4.03Å; M137-W160 HydrophobicContact CE-CH2 4.13Å; M137-W160 HydrophobicContact CE-CZ2 4.42Å; M137-W160 HydrophobicContact CE-CZ3 3.92Å; M137-Y179 HydrophobicContact CB-CD1 4.35Å; M137-Y179 HydrophobicContact CE-CD1 4Å; M137-Y179 HydrophobicContact CE-CG 4.22Å; M137-V180 WeakPolarHBondContact CA-O 3.46Å; M137-I181 HydrophobicContact CG-CB 4.33Å; M137-I181 HydrophobicContact CG-CD1 4.15Å; M137-I181 HydrophobicContact CG-CG1 4.16Å
138K90.1Very high83.6Confident21 Ų2156.1 Ų56.19%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-136.9136.1-178.3-52.4180-177.6173.50110.1K74 I136 I148 Y179 V180K74-K138 HydrophobicContact CD-CB 4.03Å; K74-K138 HydrophobicContact CD-CD 4.17Å; I136-K138 VanDerWaalsContact CD1-CE 3.47Å; I136-K138 HydrophobicContact CG1-CD 4.49Å; I136-K138 HydrophobicContact CG1-CG 4.03Å; K138-I148 HydrophobicContact CB-CG1 4.35Å; K138-I148 HydrophobicContact CD-CD1 4.3Å; K138-I148 HydrophobicContact CG-CD1 4.05Å; K138-I148 HydrophobicContact CG-CG1 4.09Å; K138-I148 HydrophobicContact CG-CG2 4.35Å; K138-Y179 VanDerWaalsContact C-CD1 3.44Å; K138-Y179 WeakPolarHBondContact O-CA 3.36Å; K138-Y179 WeakPolarHBondContact O-CD1 3.42Å; K138-V180 HydrophobicContact CB-CG2 3.91Å; K138-V180 PolarHBondContact N-O 3.2Å; K138-V180 PolarHBondContact O-N 3.42Å
139P88.6Confident83.3Confident2 Ų250.6 Ų50.61%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-66.2141.2170.5-9.421.3000110.6G141 K142 E177 Y179P139-G141 PolarHBondContact O-N 3.46Å; P139-K142 HydrophobicContact CB-CB 3.97Å; P139-K142 HydrophobicContact CB-CD 4.08Å; P139-K142 HydrophobicContact CB-CG 4.12Å; P139-K142 HydrophobicContact CG-CB 4.1Å; P139-K142 HydrophobicContact CG-CD 4Å; P139-K142 HydrophobicContact CG-CG 4.42Å; P139-E177 HydrophobicContact CB-CG 4.29Å; P139-E177 WeakPolarHBondContact CB-OE1 3.37Å; P139-Y179 HydrophobicContact CB-CE1 4.18Å; P139-Y179 HydrophobicContact CB-CE2 4.28Å; P139-Y179 HydrophobicContact CG-CD1 4.45Å; P139-Y179 HydrophobicContact CG-CE1 3.71Å; P139-Y179 HydrophobicContact CG-CE2 4.47Å
140C84.1Confident83.1Confident7 Ų744.3 Ų44.35%0.04727%0.266CS..SBendtrans-64-37-173.1-67.10000113.9K74 D75 A178K74-C140 PolarHBondContact N-O 2.74Å; D75-C140 HydrophobicContact CB-CB 4.3Å; C140-A178 HydrophobicContact CB-CB 4.23Å; C140-A178 PolarHBondContact N-O 3.17Å; C140-A178 PolarHBondContact SG-O 3.45Å
141G76.9Confident83.1Confident67 Ų6740.5 Ų40.569%0.69125%0.246SC*.SBendtrans-113.23.8-172.200000115.5P139P139-G141 PolarHBondContact O-N 3.46Å
142K78Confident83.2Confident98 Ų9837.8 Ų37.843%0.42623%0.227SC..  trans-95.3154.5176.6-70.2-178.4173.61520111.4K74 P139 E177K74-K142 PolarHBondContact NZ-O 2.85Å; P139-K142 HydrophobicContact CB-CB 3.97Å; P139-K142 HydrophobicContact CB-CD 4.08Å; P139-K142 HydrophobicContact CB-CG 4.12Å; P139-K142 HydrophobicContact CG-CB 4.1Å; P139-K142 HydrophobicContact CG-CD 4Å; P139-K142 HydrophobicContact CG-CG 4.42Å; K142-E177 WeakPolarHBondContact CD-OE1 3.3Å; K142-E177 WeakPolarHBondContact CE-OE1 3.42Å; K142-E177 VanDerWaalsContact NZ-CD 3.31Å; K142-E177 IonicContact NZ-OE1 3.88Å; K142-E177 PolarHBondContact NZ-OE1 3.39Å; K142-E177 IonicContact NZ-OE2 3.38Å; K142-E177 PolarHBondContact NZ-OE2 2.88Å
143A69.6Low83.3Confident48 Ų4839.2 Ų39.240%0.39722%0.22SC..  trans-123.6-178.8177.400000111G145 K146A143-G145 PolarHBondContact O-N 3.31Å; A143-K146 PolarHBondContact O-N 3Å
144Q66.3Low83.1Confident107 Ų10740.7 Ų40.750%0.523%0.227SC..THydrogen-bonded Turntrans65.414.7174.2-52.5177.3-31.500115.9K146 A245Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.46Å; Q144-A245 HydrophobicContact CB-CB 4.28Å
145G66.1Low82.9Confident8 Ų843.6 Ų43.68%0.08225%0.248CC..THydrogen-bonded Turntrans82.72.3178.700000115.1A143 G147 I148A143-G145 PolarHBondContact O-N 3.31Å; G145-G147 PolarHBondContact O-N 3.06Å; G145-I148 PolarHBondContact O-N 3.18Å
146K71.3Confident82.5Confident136 Ų13646.6 Ų46.659%0.59126%0.262SS*.THydrogen-bonded Turntrans-69.5129.5-179.9-66.5-176.5178.9179.90111.3A143 Q144 I148A143-K146 PolarHBondContact O-N 3Å; Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.46Å; K146-I148 VanDerWaalsContact C-N 3.29Å
147G78.3Confident82.1Confident39 Ų3946.3 Ų46.340%0.40226%0.261SS..THydrogen-bonded Turntrans77.311.6179.100000114.5G145G145-G147 PolarHBondContact O-N 3.06Å
148I84.8Confident81.5Confident22 Ų2251.8 Ų51.811%0.11329%0.285CS..  trans-84.5136.4174.7-61.1-172.6000109.6I136 M137 K138 G145 K146 L241I136-I148 HydrophobicContact CD1-CG2 3.62Å; I136-I148 HydrophobicContact CG1-CG2 3.58Å; M137-I148 VanDerWaalsContact O-CA 3.29Å; M137-I148 WeakPolarHBondContact O-CA 3.44Å; K138-I148 HydrophobicContact CB-CG1 4.35Å; K138-I148 HydrophobicContact CD-CD1 4.3Å; K138-I148 HydrophobicContact CG-CD1 4.05Å; K138-I148 HydrophobicContact CG-CG1 4.09Å; K138-I148 HydrophobicContact CG-CG2 4.35Å; G145-I148 PolarHBondContact O-N 3.18Å; K146-I148 VanDerWaalsContact C-N 3.29Å; I148-L241 HydrophobicContact CB-CD1 4.2Å; I148-L241 HydrophobicContact CD1-CD2 4.5Å; I148-L241 HydrophobicContact CG2-CD1 4.19Å; I148-L241 HydrophobicContact CG2-CD2 3.92Å
149F85.7Confident81Confident54 Ų5457.3 Ų57.324%0.23731%0.309CS..EExtended strand (participates in β ladder)trans-147.4155.6171.658.1-85.1000110.9M137 I151 W160 Y179M137-F149 HydrophobicContact CB-CD1 4.12Å; M137-F149 HydrophobicContact CB-CD2 4.07Å; M137-F149 HydrophobicContact CB-CE1 3.75Å; M137-F149 HydrophobicContact CB-CE2 3.71Å; M137-F149 HydrophobicContact CB-CG 4.27Å; M137-F149 HydrophobicContact CB-CZ 3.55Å; M137-F149 HydrophobicContact CE-CE1 4.5Å; M137-F149 HydrophobicContact CE-CE2 4.4Å; M137-F149 HydrophobicContact CE-CZ 3.75Å; M137-F149 HydrophobicContact CG-CD2 4.39Å; M137-F149 HydrophobicContact CG-CE2 3.77Å; M137-F149 HydrophobicContact CG-CZ 3.88Å; M137-F149 PolarHBondContact N-O 3.13Å; M137-F149 PolarHBondContact O-N 3.3Å; M137-F149 HydrophobicContact SD-CD2 4.47Å; M137-F149 HydrophobicContact SD-CE1 4.39Å; M137-F149 HydrophobicContact SD-CE2 3.36Å; M137-F149 WeakPolarHBondContact SD-CE2 3.4Å; M137-F149 HydrophobicContact SD-CZ 3.32Å; M137-F149 WeakPolarHBondContact SD-CZ 3.27Å; F149-I151 HydrophobicContact CD2-CG2 3.76Å; F149-I151 HydrophobicContact CE2-CG2 3.71Å; F149-W160 AromaticContact CE1-CD1 3.81Å; F149-W160 HydrophobicContact CE1-CG 4.39Å; F149-W160 AromaticContact CE1-NE1 3.72Å; F149-W160 HydrophobicContact CE2-CG 4.42Å; F149-W160 HydrophobicContact CZ-CB 4.34Å; F149-W160 AromaticContact CZ-CD1 3.54Å; F149-W160 AromaticContact CZ-CD2 3.99Å; F149-W160 HydrophobicContact CZ-CD2 3.99Å; F149-W160 AromaticContact CZ-CG 3.7Å; F149-W160 HydrophobicContact CZ-CG 3.7Å; F149-W160 AromaticContact CZ-NE1 3.75Å; F149-Y179 HydrophobicContact CE1-CE1 4.02Å
150L88.2Confident80.6Confident21 Ų2160.4 Ų60.411%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-94.7149.3176.1-62.5178.3000110.3T134 W135 I136 Y184 L234 H240T134-L150 HydrophobicContact CG2-CB 4.26Å; T134-L150 HydrophobicContact CG2-CD1 4.45Å; T134-L150 HydrophobicContact CG2-CD2 4.3Å; W135-L150 CarbonylContact O-C 3.49Å; W135-L150 WeakPolarHBondContact O-CA 3.45Å; I136-L150 HydrophobicContact CB-CD2 3.64Å; I136-L150 HydrophobicContact CD1-CD2 4.03Å; I136-L150 HydrophobicContact CG1-CD2 3.82Å; L150-Y184 HydrophobicContact CD1-CE2 4.39Å; L150-Y184 HydrophobicContact CD2-CD2 3.56Å; L150-Y184 HydrophobicContact CD2-CE2 3.86Å; L150-Y184 HydrophobicContact CD2-CG 4.14Å; L150-L234 HydrophobicContact CB-CD2 3.98Å; L150-L234 HydrophobicContact CD1-CD2 3.57Å; L150-L234 HydrophobicContact CG-CD2 4.42Å; L150-H240 HydrophobicContact CD1-CB 4.04Å
151I88.4Confident80.2Confident1 Ų162 Ų621%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-133.9146.1171.367.7166.9000110F123 T134 W135 M137 F149 Q156 I157 I181F123-I151 HydrophobicContact CZ-CD1 4.15Å; T134-I151 WeakPolarHBondContact CA-O 3.45Å; W135-I151 HydrophobicContact CB-CD1 4.26Å; W135-I151 HydrophobicContact CB-CG1 3.74Å; W135-I151 PolarHBondContact N-O 3.02Å; W135-I151 PolarHBondContact O-N 3.43Å; M137-I151 HydrophobicContact CG-CG2 4.48Å; M137-I151 HydrophobicContact SD-CD1 4.47Å; M137-I151 HydrophobicContact SD-CG2 4.41Å; F149-I151 HydrophobicContact CD2-CG2 3.76Å; F149-I151 HydrophobicContact CE2-CG2 3.71Å; I151-Q156 VanDerWaalsContact CA-OE1 3.26Å; I151-Q156 HydrophobicContact CB-CB 4.35Å; I151-Q156 HydrophobicContact CG2-CB 4Å; I151-I157 HydrophobicContact CD1-CD1 3.31Å; I151-I157 HydrophobicContact CD1-CG1 3.29Å; I151-I181 HydrophobicContact CD1-CD1 3.39Å; I151-I181 HydrophobicContact CG1-CD1 4.25Å
152N88.1Confident79.8Confident26 Ų2667.1 Ų67.114%0.13933%0.33CS..SBendtrans-135.64.1172.165.4-3.9000111.8F127 Q156 T231 L234F127-N152 WeakPolarHBondContact CZ-O 3.46Å; N152-Q156 PolarHBondContact OD1-OE1 3.24Å; N152-T231 WeakPolarHBondContact ND2-CG2 3.32Å; N152-L234 HydrophobicContact CB-CD1 4.1Å; N152-L234 WeakPolarHBondContact ND2-CD1 3.23Å
153K87.9Confident79.3Confident128 Ų12866.7 Ų66.756%0.55733%0.332SS*.SBendtrans-139135.4176.7-66.1176.2-174.8176.90110.2S155 Q156K153-S155 PolarHBondContact O-N 2.73Å; K153-S155 VanDerWaalsContact O-N 3.11Å; K153-Q156 HydrophobicContact CB-CG 4.39Å; K153-Q156 VanDerWaalsContact N-OE1 3.07Å; K153-Q156 WeakPolarHBondContact O-CB 3.27Å; K153-Q156 PolarHBondContact O-N 3.1Å; K153-Q156 PolarHBondContact O-OE1 3.13Å
154L87.1Confident78.8Confident40 Ų4067.4 Ų67.421%0.20934%0.335CS..Hα-helixtrans-58.8-26177.1-67.7178.9000113.6F123 V124 F127 Q156 I157 K158F123-L154 HydrophobicContact CE1-CD2 3.54Å; F123-L154 HydrophobicContact CZ-CD2 3.99Å; V124-L154 HydrophobicContact CG1-CD1 4.27Å; V124-L154 HydrophobicContact CG2-CD2 4.23Å; F127-L154 HydrophobicContact CB-CD2 4.21Å; F127-L154 HydrophobicContact CD1-CD1 4Å; F127-L154 HydrophobicContact CD1-CD2 3.76Å; F127-L154 HydrophobicContact CD1-CG 3.65Å; F127-L154 HydrophobicContact CD2-CD2 4.27Å; F127-L154 HydrophobicContact CE1-CD1 4.43Å; F127-L154 HydrophobicContact CE1-CD2 4.25Å; F127-L154 HydrophobicContact CE1-CG 3.82Å; F127-L154 HydrophobicContact CG-CD2 3.79Å; F127-L154 HydrophobicContact CG-CG 4.22Å; F127-L154 HydrophobicContact CZ-CG 4.5Å; L154-Q156 PolarHBondContact O-N 3.2Å; L154-I157 HydrophobicContact CD2-CD1 4.5Å; L154-I157 PolarHBondContact O-N 3.41Å; L154-K158 PolarHBondContact O-N 3.37Å
155S85.9Confident78.2Confident75 Ų7570.8 Ų70.852%0.52434%0.343SS..Hα-helixtrans-62.4-30.8175.853.80000112.9K153 K158 K159K153-S155 PolarHBondContact O-N 2.73Å; K153-S155 VanDerWaalsContact O-N 3.11Å; S155-K158 PolarHBondContact O-N 3.11Å; S155-K159 PolarHBondContact O-N 3.44Å
156Q85Confident77.1Confident67 Ų6775.7 Ų75.731%0.31337%0.371SS..Hα-helixtrans-65.5-39.7178.9-68167.6-43.300111.5I151 N152 K153 L154 K159 W160I151-Q156 VanDerWaalsContact CA-OE1 3.26Å; I151-Q156 HydrophobicContact CB-CB 4.35Å; I151-Q156 HydrophobicContact CG2-CB 4Å; N152-Q156 PolarHBondContact OD1-OE1 3.24Å; K153-Q156 HydrophobicContact CB-CG 4.39Å; K153-Q156 VanDerWaalsContact N-OE1 3.07Å; K153-Q156 WeakPolarHBondContact O-CB 3.27Å; K153-Q156 PolarHBondContact O-N 3.1Å; K153-Q156 PolarHBondContact O-OE1 3.13Å; L154-Q156 PolarHBondContact O-N 3.2Å; Q156-K159 PolarHBondContact O-N 3.49Å; Q156-W160 WeakPolarHBondContact O-CB 3.32Å; Q156-W160 PolarHBondContact O-N 3.24Å
157I82.4Confident75.6Confident6 Ų673.9 Ų73.93%0.03138%0.376CS..Hα-helixtrans-65.3-43.5175.3-55.3179.9000111Y120 F123 M137 I151 L154 K159 W160 S161 I181Y120-I157 HydrophobicContact CE2-CG2 4.12Å; F123-I157 HydrophobicContact CD1-CD1 4.01Å; F123-I157 HydrophobicContact CE1-CD1 3.17Å; F123-I157 HydrophobicContact CZ-CD1 3.68Å; M137-I157 HydrophobicContact SD-CG1 4.29Å; I151-I157 HydrophobicContact CD1-CD1 3.31Å; I151-I157 HydrophobicContact CD1-CG1 3.29Å; L154-I157 HydrophobicContact CD2-CD1 4.5Å; L154-I157 PolarHBondContact O-N 3.41Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 3.16Å; I157-W160 PolarHBondContact O-N 2.66Å; I157-S161 WeakPolarHBondContact O-CB 3.41Å; I157-S161 PolarHBondContact O-N 2.96Å; I157-I181 HydrophobicContact CD1-CD1 3.95Å
158K79.6Confident73.8Confident115 Ų11576.9 Ų76.950%0.539%0.386SS..Hα-helixtrans-61.9-40.1179.1-69.7-176.8-179.9-179.50111.3L154 S155 R162L154-K158 PolarHBondContact O-N 3.37Å; S155-K158 PolarHBondContact O-N 3.11Å; K158-R162 VanDerWaalsContact O-CG 3.3Å; K158-R162 WeakPolarHBondContact O-CG 3.41Å; K158-R162 PolarHBondContact O-N 2.98Å
159K78.9Confident71.2Confident137 Ų13785.9 Ų85.960%0.59643%0.425SS*.Hα-helixtrans-62.6-53.5174.3-175.1-179.6176.4-174.10110.8S155 Q156 I157 S161 R162 D163S155-K159 PolarHBondContact O-N 3.44Å; Q156-K159 PolarHBondContact O-N 3.49Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 3.16Å; K159-S161 VanDerWaalsContact C-N 3.3Å; K159-S161 PolarHBondContact O-N 3.35Å; K159-R162 WeakPolarHBondContact O-CB 3.26Å; K159-R162 PolarHBondContact O-N 3.16Å; K159-D163 WeakPolarHBondContact CG-OD2 3.45Å; K159-D163 PolarHBondContact O-N 3.39Å
160W79.8Confident68.8Low66 Ų6690.5 Ų90.525%0.2546%0.457CS..Hα-helixtrans-54.4-43.8177.4172.280.8000113M137 F149 Q156 I157 R162 D163 S164 Y179M137-W160 HydrophobicContact CE-CD2 4.33Å; M137-W160 HydrophobicContact CE-CE3 4.03Å; M137-W160 HydrophobicContact CE-CH2 4.13Å; M137-W160 HydrophobicContact CE-CZ2 4.42Å; M137-W160 HydrophobicContact CE-CZ3 3.92Å; F149-W160 AromaticContact CE1-CD1 3.81Å; F149-W160 HydrophobicContact CE1-CG 4.39Å; F149-W160 AromaticContact CE1-NE1 3.72Å; F149-W160 HydrophobicContact CE2-CG 4.42Å; F149-W160 HydrophobicContact CZ-CB 4.34Å; F149-W160 AromaticContact CZ-CD1 3.54Å; F149-W160 AromaticContact CZ-CD2 3.99Å; F149-W160 HydrophobicContact CZ-CD2 3.99Å; F149-W160 AromaticContact CZ-CG 3.7Å; F149-W160 HydrophobicContact CZ-CG 3.7Å; F149-W160 AromaticContact CZ-NE1 3.75Å; Q156-W160 WeakPolarHBondContact O-CB 3.32Å; Q156-W160 PolarHBondContact O-N 3.24Å; I157-W160 PolarHBondContact O-N 2.66Å; W160-R162 VanDerWaalsContact C-N 3.28Å; W160-R162 PolarHBondContact O-N 3.48Å; W160-D163 PolarHBondContact O-N 2.94Å; W160-S164 WeakPolarHBondContact O-CB 3.34Å; W160-S164 PolarHBondContact O-N 2.82Å; W160-S164 PolarHBondContact O-OG 3.23Å; W160-Y179 AromaticContact CH2-CD2 3.76Å; W160-Y179 HydrophobicContact CH2-CD2 3.76Å; W160-Y179 HydrophobicContact CH2-CE2 4.23Å; W160-Y179 HydrophobicContact CH2-CG 4.02Å; W160-Y179 HydrophobicContact CZ2-CD1 4.24Å; W160-Y179 AromaticContact CZ2-CD2 3.55Å; W160-Y179 HydrophobicContact CZ2-CD2 3.55Å; W160-Y179 HydrophobicContact CZ2-CE1 4.22Å; W160-Y179 AromaticContact CZ2-CE2 3.55Å; W160-Y179 HydrophobicContact CZ2-CE2 3.55Å; W160-Y179 AromaticContact CZ2-CG 3.93Å; W160-Y179 HydrophobicContact CZ2-CG 3.93Å; W160-Y179 AromaticContact CZ2-CZ 3.9Å
161S75.7Confident66.3Low42 Ų4294 Ų9429%0.29449%0.489SS..Hα-helixtrans-66.7-25.5177.4177.40000113.6I157 K159 R165I157-S161 WeakPolarHBondContact O-CB 3.41Å; I157-S161 PolarHBondContact O-N 2.96Å; K159-S161 VanDerWaalsContact C-N 3.3Å; K159-S161 PolarHBondContact O-N 3.35Å; S161-R165 WeakPolarHBondContact O-CG 3.49Å
162R70.1Confident63.7Low174 Ų17497.7 Ų97.766%0.65752%0.52SS*.Hα-helixtrans-81.7-47176.6-74.5170.9176-173.7-3.1110.5K158 K159 W160 S164 R165 T166K158-R162 VanDerWaalsContact O-CG 3.3Å; K158-R162 WeakPolarHBondContact O-CG 3.41Å; K158-R162 PolarHBondContact O-N 2.98Å; K159-R162 WeakPolarHBondContact O-CB 3.26Å; K159-R162 PolarHBondContact O-N 3.16Å; W160-R162 VanDerWaalsContact C-N 3.28Å; W160-R162 PolarHBondContact O-N 3.48Å; R162-S164 PolarHBondContact O-N 2.69Å; R162-R165 WeakPolarHBondContact O-CA 3.24Å; R162-R165 WeakPolarHBondContact O-CB 3.47Å; R162-R165 PolarHBondContact O-N 3.39Å; R162-T166 PolarHBondContact O-N 3.06Å; R162-T166 PolarHBondContact O-OG1 2.97Å
163D66.3Low61.3Low89 Ų89102.5 Ų102.548%0.47656%0.556SS.*Hα-helixtrans-61.9-34.2179.9-61.9-11.6000111.5K159 W160 R165 T166 S167K159-D163 WeakPolarHBondContact CG-OD2 3.45Å; K159-D163 PolarHBondContact O-N 3.39Å; W160-D163 PolarHBondContact O-N 2.94Å; D163-R165 PolarHBondContact O-N 2.79Å; D163-T166 PolarHBondContact O-N 2.67Å; D163-S167 PolarHBondContact O-N 2.85Å; D163-S167 PolarHBondContact O-OG 3.13Å
164S59.2Low59Low63 Ų63102 Ų10244%0.44157%0.569SS.*Hα-helixtrans-70.2-15.7173.9-56.10000114W160 R162W160-S164 WeakPolarHBondContact O-CB 3.34Å; W160-S164 PolarHBondContact O-N 2.82Å; W160-S164 PolarHBondContact O-OG 3.23Å; R162-S164 PolarHBondContact O-N 2.69Å
165R54.4Low57.1Low177 Ų177103.7 Ų103.767%0.66860%0.595SS**Hα-helixtrans-91.4-13.9173.1-69.4177.6-167.4175.42.8112.6S161 R162 D163S161-R165 WeakPolarHBondContact O-CG 3.49Å; R162-R165 WeakPolarHBondContact O-CA 3.24Å; R162-R165 WeakPolarHBondContact O-CB 3.47Å; R162-R165 PolarHBondContact O-N 3.39Å; D163-R165 PolarHBondContact O-N 2.79Å
166T42.5Very low55.9Low111 Ų111109.3 Ų109.368%0.68161%0.61SS**Hα-helixtrans-98-9-176.8-42.20000112.5R162 D163 T168R162-T166 PolarHBondContact O-N 3.06Å; R162-T166 PolarHBondContact O-OG1 2.97Å; D163-T166 PolarHBondContact O-N 2.67Å; T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 PolarHBondContact O-N 3.35Å; T166-T168 VanDerWaalsContact O-N 3.1Å
167S39.3Very low55.1Low99 Ų99110.2 Ų110.269%0.69261%0.614SS**  trans-84.472.7172.220.30000110.4D163D163-S167 PolarHBondContact O-N 2.85Å; D163-S167 PolarHBondContact O-OG 3.13Å
168T41.2Very low55.1Low101 Ų101111.8 Ų111.862%0.6263%0.629SS**  trans-112.8103.8178-12.50000109.1T166T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 PolarHBondContact O-N 3.35Å; T166-T168 VanDerWaalsContact O-N 3.1Å
169F30.5Very low55.6Low212 Ų212107.1 Ų107.193%0.9361%0.608SS**  trans-165.583.4149.8-71.9-63.5000107.9
170V34.7Very low56.3Low150 Ų150100.7 Ų100.791%0.90958%0.58SS**  178.1148.999.4-155.40000106.6
171A34.8Very low57Low94 Ų9497.6 Ų97.678%0.77757%0.568SS**  trans-66.4173.5-17000000116.6
172A34.3Very low57.9Low80 Ų8096.1 Ų96.166%0.66156%0.558SS**SBendtrans90.3104158.200000117.7S174A172-S174 PolarHBondContact O-N 2.84Å
173S37.2Very low59.1Low126 Ų12690.9 Ų90.988%0.88154%0.543SS*.SBendtrans69.237.2137.3-38.40000119.4
174S39.7Very low60.4Low119 Ų11987.3 Ų87.383%0.83252%0.523SS*.  trans-157.5142163.244.70000114.3A172A172-S174 PolarHBondContact O-N 2.84Å
175G48.6Very low62Low75 Ų7585.1 Ų85.177%0.77351%0.506SS*.PPolyproline II helixtrans-60.4151.1-159.400000117.8E177G175-E177 PolarHBondContact O-N 3.13Å
176K59.1Low63.7Low193 Ų19380.9 Ų80.984%0.83950%0.496SS*.PPolyproline II helixtrans-47.3132.3161.4-71.8176.6178.2169.80109.7A178K176-A178 PolarHBondContact O-N 3.14Å
177E69.5Low66.2Low85 Ų8578 Ų7840%0.39748%0.477SS..PPolyproline II helixtrans-61.5119.2176.4-173170.9-14400109.7P139 K142 G175 Y179P139-E177 HydrophobicContact CB-CG 4.29Å; P139-E177 WeakPolarHBondContact CB-OE1 3.37Å; K142-E177 WeakPolarHBondContact CD-OE1 3.3Å; K142-E177 WeakPolarHBondContact CE-OE1 3.42Å; K142-E177 VanDerWaalsContact NZ-CD 3.31Å; K142-E177 IonicContact NZ-OE1 3.88Å; K142-E177 PolarHBondContact NZ-OE1 3.39Å; K142-E177 IonicContact NZ-OE2 3.38Å; K142-E177 PolarHBondContact NZ-OE2 2.88Å; G175-E177 PolarHBondContact O-N 3.13Å; E177-Y179 HydrophobicContact CB-CE2 4.02Å; E177-Y179 HydrophobicContact CG-CD2 4.21Å; E177-Y179 HydrophobicContact CG-CE2 3.62Å; E177-Y179 WeakPolarHBondContact O-CD2 3.45Å; E177-Y179 PolarHBondContact OE2-OH 3.03Å; E177-Y179 VanDerWaalsContact OE2-OH 3.12Å
178A82.1Confident68.9Low40 Ų4073.6 Ų73.633%0.33145%0.446SS..PPolyproline II helixtrans-75.9139177.700000110.3C140 K176C140-A178 HydrophobicContact CB-CB 4.23Å; C140-A178 PolarHBondContact N-O 3.17Å; C140-A178 PolarHBondContact SG-O 3.45Å; K176-A178 PolarHBondContact O-N 3.14Å
179Y89.9Confident71.5Confident17 Ų1769.2 Ų69.27%0.06742%0.419CS..EExtended strand (participates in β ladder)trans-122.7145.7178.4-84.1-109.7000110.8L116 M137 K138 P139 F149 W160 E177L116-Y179 PolarHBondContact N-O 2.5Å; M137-Y179 HydrophobicContact CB-CD1 4.35Å; M137-Y179 HydrophobicContact CE-CD1 4Å; M137-Y179 HydrophobicContact CE-CG 4.22Å; K138-Y179 VanDerWaalsContact C-CD1 3.44Å; K138-Y179 WeakPolarHBondContact O-CA 3.36Å; K138-Y179 WeakPolarHBondContact O-CD1 3.42Å; P139-Y179 HydrophobicContact CB-CE1 4.18Å; P139-Y179 HydrophobicContact CB-CE2 4.28Å; P139-Y179 HydrophobicContact CG-CD1 4.45Å; P139-Y179 HydrophobicContact CG-CE1 3.71Å; P139-Y179 HydrophobicContact CG-CE2 4.47Å; F149-Y179 HydrophobicContact CE1-CE1 4.02Å; W160-Y179 AromaticContact CH2-CD2 3.76Å; W160-Y179 HydrophobicContact CH2-CD2 3.76Å; W160-Y179 HydrophobicContact CH2-CE2 4.23Å; W160-Y179 HydrophobicContact CH2-CG 4.02Å; W160-Y179 HydrophobicContact CZ2-CD1 4.24Å; W160-Y179 AromaticContact CZ2-CD2 3.55Å; W160-Y179 HydrophobicContact CZ2-CD2 3.55Å; W160-Y179 HydrophobicContact CZ2-CE1 4.22Å; W160-Y179 AromaticContact CZ2-CE2 3.55Å; W160-Y179 HydrophobicContact CZ2-CE2 3.55Å; W160-Y179 AromaticContact CZ2-CG 3.93Å; W160-Y179 HydrophobicContact CZ2-CG 3.93Å; W160-Y179 AromaticContact CZ2-CZ 3.9Å; E177-Y179 HydrophobicContact CB-CE2 4.02Å; E177-Y179 HydrophobicContact CG-CD2 4.21Å; E177-Y179 HydrophobicContact CG-CE2 3.62Å; E177-Y179 WeakPolarHBondContact O-CD2 3.45Å; E177-Y179 PolarHBondContact OE2-OH 3.03Å; E177-Y179 VanDerWaalsContact OE2-OH 3.12Å
180V92.8Very high74.5Confident2 Ų262.2 Ų62.21%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-101.4143.1161.7-63.90000109.3K74 D75 T113 F114 M137 K138K74-V180 HydrophobicContact CB-CG1 4.21Å; K74-V180 HydrophobicContact CB-CG2 3.9Å; K74-V180 HydrophobicContact CD-CG2 4.12Å; D75-V180 HydrophobicContact CB-CG1 4.12Å; T113-V180 HydrophobicContact CG2-CB 3.92Å; T113-V180 HydrophobicContact CG2-CG1 4.36Å; F114-V180 WeakPolarHBondContact O-CA 3.11Å; M137-V180 WeakPolarHBondContact CA-O 3.46Å; K138-V180 HydrophobicContact CB-CG2 3.91Å; K138-V180 PolarHBondContact N-O 3.2Å; K138-V180 PolarHBondContact O-N 3.42Å
181I94.3Very high77.3Confident0 Ų055.8 Ų55.80%035%0.351CS..EExtended strand (participates in β ladder)trans-115.1121168.9-176.8166.7000108.4T113 F114 L116 F123 W135 M137 I151 I157T113-I181 CarbonylContact C-O 3.04Å; T113-I181 VanDerWaalsContact CA-O 3.3Å; T113-I181 WeakPolarHBondContact CA-O 3.39Å; F114-I181 HydrophobicContact CB-CG2 3.76Å; F114-I181 HydrophobicContact CD2-CG2 4.49Å; F114-I181 PolarHBondContact N-O 3.3Å; F114-I181 PolarHBondContact O-N 2.96Å; L116-I181 HydrophobicContact CD1-CB 4.11Å; L116-I181 HydrophobicContact CD1-CG2 3.92Å; L116-I181 HydrophobicContact CD2-CG2 4.14Å; L116-I181 HydrophobicContact CG-CB 4.47Å; L116-I181 HydrophobicContact CG-CG2 3.86Å; F123-I181 HydrophobicContact CB-CG2 4.42Å; F123-I181 HydrophobicContact CD1-CD1 4.33Å; F123-I181 HydrophobicContact CD2-CD1 3.76Å; F123-I181 HydrophobicContact CD2-CG1 4.25Å; F123-I181 HydrophobicContact CD2-CG2 3.99Å; F123-I181 HydrophobicContact CE1-CD1 3.95Å; F123-I181 HydrophobicContact CE2-CD1 3.29Å; F123-I181 HydrophobicContact CE2-CG1 4.05Å; F123-I181 HydrophobicContact CG-CD1 4.25Å; F123-I181 HydrophobicContact CG-CG2 4.11Å; F123-I181 HydrophobicContact CZ-CD1 3.4Å; W135-I181 HydrophobicContact CB-CD1 3.98Å; W135-I181 HydrophobicContact CB-CG1 3.88Å; W135-I181 HydrophobicContact CD2-CG1 4.44Å; W135-I181 HydrophobicContact CE3-CG1 3.94Å; W135-I181 HydrophobicContact CG-CD1 4.43Å; W135-I181 HydrophobicContact CG-CG1 4.45Å; M137-I181 HydrophobicContact CG-CB 4.33Å; M137-I181 HydrophobicContact CG-CD1 4.15Å; M137-I181 HydrophobicContact CG-CG1 4.16Å; I151-I181 HydrophobicContact CD1-CD1 3.39Å; I151-I181 HydrophobicContact CG1-CD1 4.25Å; I157-I181 HydrophobicContact CD1-CD1 3.95Å
182S95.3Very high79.9Confident11 Ų1154.4 Ų54.48%0.07735%0.346CS..EExtended strand (participates in β ladder)trans-121.1145.8-176.7-590000110.7V112 T113 W135 I136 Y184V112-S182 CarbonylContact O-C 3.42Å; V112-S182 VanDerWaalsContact O-CA 3.29Å; V112-S182 WeakPolarHBondContact O-CA 3.43Å; T113-S182 VanDerWaalsContact CG2-OG 3.23Å; T113-S182 WeakPolarHBondContact CG2-OG 3.36Å; T113-S182 WeakPolarHBondContact OG1-CB 3.47Å; T113-S182 PolarHBondContact OG1-OG 3.4Å; W135-S182 CarbonylContact C-O 3.36Å; W135-S182 WeakPolarHBondContact CA-O 3.47Å; I136-S182 WeakPolarHBondContact CG2-O 3.26Å; I136-S182 PolarHBondContact N-O 3.03Å; I136-S182 PolarHBondContact O-N 2.8Å; S182-Y184 PolarHBondContact O-N 3.01Å
183L94.9Very high82.6Confident64 Ų6452 Ų5234%0.33533%0.329SS..EExtended strand (participates in β ladder)trans-60129171.1-176.565.8000108.9V112 W135V112-L183 HydrophobicContact CB-CB 4.24Å; V112-L183 PolarHBondContact O-N 3.39Å; W135-L183 HydrophobicContact CD2-CD1 4.25Å; W135-L183 HydrophobicContact CE3-CB 4.19Å; W135-L183 HydrophobicContact CH2-CB 4.17Å; W135-L183 HydrophobicContact CH2-CD1 4.41Å; W135-L183 HydrophobicContact CZ2-CD1 3.93Å; W135-L183 HydrophobicContact CZ3-CB 4.01Å
184Y93.4Very high85Confident15 Ų1549 Ų496%0.05930%0.3CS..  trans-76.9135.8178.1-175.4-103.6000109.8T134 I136 L150 S182 D186 K195 H240T134-Y184 HydrophobicContact CG2-CD1 4.26Å; T134-Y184 HydrophobicContact CG2-CG 4.24Å; T134-Y184 WeakPolarHBondContact O-CB 3.32Å; T134-Y184 PolarHBondContact O-N 3.13Å; I136-Y184 HydrophobicContact CB-CD2 4.16Å; I136-Y184 HydrophobicContact CD1-CD2 4.24Å; I136-Y184 HydrophobicContact CD1-CE2 4.46Å; I136-Y184 HydrophobicContact CG2-CD2 4.42Å; L150-Y184 HydrophobicContact CD1-CE2 4.39Å; L150-Y184 HydrophobicContact CD2-CD2 3.56Å; L150-Y184 HydrophobicContact CD2-CE2 3.86Å; L150-Y184 HydrophobicContact CD2-CG 4.14Å; S182-Y184 PolarHBondContact O-N 3.01Å; Y184-D186 HydrophobicContact CD1-CB 4.03Å; Y184-D186 HydrophobicContact CE1-CB 4.41Å; Y184-D186 PolarHBondContact O-N 2.84Å; Y184-K195 VanDerWaalsContact CZ-NZ 3.33Å; Y184-K195 PolarHBondContact OH-NZ 2.92Å; Y184-H240 HydrophobicContact CE2-CB 4.47Å; Y184-H240 AromaticContact CZ-ND1 3.84Å; Y184-H240 WeakPolarHBondContact OH-CB 3.03Å; Y184-H240 PolarHBondContact OH-ND1 2.92Å
185I93.9Very high87.5Confident16 Ų1643.7 Ų43.78%0.08226%0.262CS..  trans-81.397.2172.7-57168000106.8P111 I316 D318 W324 I326P111-I185 HydrophobicContact CG-CD1 4.28Å; P111-I185 HydrophobicContact CG-CG1 4.49Å; I185-I316 HydrophobicContact CD1-CB 4.1Å; I185-I316 HydrophobicContact CD1-CG2 3.91Å; I185-I316 HydrophobicContact CG2-CG2 4.26Å; I185-D318 HydrophobicContact CG2-CB 4.21Å; I185-W324 HydrophobicContact CD1-CB 3.5Å; I185-W324 VanDerWaalsContact CD1-CB 3.5Å; I185-W324 HydrophobicContact CD1-CD2 4.26Å; I185-W324 HydrophobicContact CD1-CG 3.54Å; I185-W324 HydrophobicContact CG1-CG 4.46Å; I185-I326 HydrophobicContact CD1-CD1 3.8Å
186D90.7Very high89.7Confident88 Ų8840.2 Ų40.247%0.47123%0.225SC..  trans-87.2-11.8-176.260-1.5000113.7Y184 P188 Y227Y184-D186 HydrophobicContact CD1-CB 4.03Å; Y184-D186 HydrophobicContact CE1-CB 4.41Å; Y184-D186 PolarHBondContact O-N 2.84Å; D186-P188 WeakPolarHBondContact O-CD 3.32Å; D186-Y227 VanDerWaalsContact C-OH 3.3Å; D186-Y227 VanDerWaalsContact CA-OH 3.28Å; D186-Y227 WeakPolarHBondContact CA-OH 3.49Å; D186-Y227 WeakPolarHBondContact O-CE1 3.46Å; D186-Y227 PolarHBondContact O-OH 2.8Å
187N93.8Very high91.5Very high51 Ų5131.2 Ų31.227%0.27319%0.187SC..SBendtrans-111.350.6175.866.7-36.8000112.9D318 D319N187-D318 CarbonylContact O-C 3.55Å; N187-D318 WeakPolarHBondContact O-CA 3.44Å; N187-D318 WeakPolarHBondContact O-CB 3.44Å; N187-D319 PolarHBondContact ND2-OD1 3.22Å; N187-D319 PolarHBondContact O-N 2.56Å
188P95.6Very high92.8Very high6 Ų627.2 Ų27.24%0.03917%0.168CC..BIsolated β-bridgetrans-65.5149.9179.231.2-35.4000111D186 L190 K195 Y227 I316D186-P188 WeakPolarHBondContact O-CD 3.32Å; P188-L190 HydrophobicContact CG-CD2 3.97Å; P188-L190 PolarHBondContact O-N 3.04Å; P188-K195 HydrophobicContact CB-CD 4.33Å; P188-K195 HydrophobicContact CB-CG 3.99Å; P188-K195 HydrophobicContact CG-CB 4.4Å; P188-K195 HydrophobicContact CG-CD 4.03Å; P188-K195 HydrophobicContact CG-CG 3.96Å; P188-Y227 HydrophobicContact CG-CD1 4.16Å; P188-Y227 HydrophobicContact CG-CD2 4.32Å; P188-Y227 HydrophobicContact CG-CE1 3.89Å; P188-Y227 HydrophobicContact CG-CE2 4.08Å; P188-Y227 HydrophobicContact CG-CG 4.35Å; P188-I316 HydrophobicContact CB-CG2 4.46Å
189L96.3Very high93.4Very high10 Ų1026.2 Ų26.25%0.05216%0.155CC..  trans-60.1127.1165.9178.765.2000109F196 L270 I317 L321L189-F196 HydrophobicContact CB-CE1 4.33Å; L189-F196 HydrophobicContact CD2-CE1 4.23Å; L189-F196 HydrophobicContact CD2-CZ 3.97Å; L189-F196 HydrophobicContact CG-CE1 4.15Å; L189-F196 HydrophobicContact CG-CZ 4.38Å; L189-F196 VanDerWaalsContact O-CE1 3.3Å; L189-F196 WeakPolarHBondContact O-CE1 3.38Å; L189-L270 HydrophobicContact CD2-CD2 4.03Å; L189-I317 HydrophobicContact CB-CB 4.33Å; L189-I317 HydrophobicContact CB-CG2 4.23Å; L189-I317 WeakPolarHBondContact CB-O 3.45Å; L189-I317 HydrophobicContact CD2-CG2 4.15Å; L189-I317 PolarHBondContact N-O 2.99Å; L189-L321 HydrophobicContact CD1-CD2 4.29Å; L189-L321 HydrophobicContact CD2-CD2 3.86Å
190L94.8Very high93.8Very high65 Ų6525.6 Ų25.634%0.3415%0.153SC..EExtended strand (participates in β ladder)trans-108140.6178.9-56.2-179.8000110.7P188 K194 K195 Y227P188-L190 HydrophobicContact CG-CD2 3.97Å; P188-L190 PolarHBondContact O-N 3.04Å; L190-K194 WeakPolarHBondContact CA-O 3.4Å; L190-K195 HydrophobicContact CD2-CB 4.14Å; L190-Y227 HydrophobicContact CD1-CD1 4.06Å; L190-Y227 HydrophobicContact CD2-CD1 3.96Å; L190-Y227 HydrophobicContact CD2-CG 3.88Å
191I93.2Very high94Very high14 Ų1425.5 Ų25.57%0.07215%0.153CC..EExtended strand (participates in β ladder)trans-123.6123.7169.4-57.4175.7000107.3G193 K194 F196 F222 W261 L266 Y269I191-G193 PolarHBondContact O-N 3.36Å; I191-K194 PolarHBondContact N-O 2.89Å; I191-K194 PolarHBondContact O-N 2.97Å; I191-F196 HydrophobicContact CD1-CD1 4.39Å; I191-F196 HydrophobicContact CD1-CE1 3.71Å; I191-F196 HydrophobicContact CD1-CZ 3.94Å; I191-F196 HydrophobicContact CG1-CD1 4.44Å; I191-F196 HydrophobicContact CG1-CE1 3.83Å; I191-F196 HydrophobicContact CG1-CZ 4.49Å; I191-F222 HydrophobicContact CB-CE1 3.96Å; I191-F222 HydrophobicContact CB-CZ 4.44Å; I191-F222 HydrophobicContact CD1-CE1 4.41Å; I191-F222 HydrophobicContact CD1-CZ 4.25Å; I191-W261 HydrophobicContact CD1-CE3 4.21Å; I191-W261 HydrophobicContact CD1-CZ3 3.77Å; I191-W261 HydrophobicContact CG2-CH2 3.57Å; I191-W261 HydrophobicContact CG2-CZ2 4.42Å; I191-W261 HydrophobicContact CG2-CZ3 3.73Å; I191-L266 HydrophobicContact CD1-CD1 3.7Å; I191-Y269 HydrophobicContact CD1-CD1 3.86Å; I191-Y269 HydrophobicContact CD1-CE1 3.88Å; I191-Y269 HydrophobicContact CG1-CD1 4.31Å; I191-Y269 HydrophobicContact CG1-CE1 3.8Å; I191-Y269 HydrophobicContact CG2-CE1 4.18Å; I191-Y269 HydrophobicContact CG2-CE2 4.22Å
192G89.3Confident94.2Very high65 Ų6525.5 Ų25.567%0.6715%0.153SC*.THydrogen-bonded Turntrans5925.3-17100000113.5K194G192-K194 VanDerWaalsContact C-N 3.27Å; G192-K194 PolarHBondContact O-N 2.85Å
193G89.7Confident94.3Very high29 Ų2925 Ų2530%0.29915%0.149SC..THydrogen-bonded Turntrans75.18.6-175.300000114.8I191 K226 Y227I191-G193 PolarHBondContact O-N 3.36Å; G193-K226 CarbonylContact O-C 3.58Å; G193-K226 WeakPolarHBondContact O-CA 3.46Å; G193-Y227 PolarHBondContact O-N 3.44Å
194K89.3Confident94.5Very high65 Ų6521.9 Ų21.928%0.28313%0.133SC..EExtended strand (participates in β ladder)trans-105.9138.2-179.5-60.1-173.9-178.6-160.10111.1L190 I191 G192 F222 C223 T224 K226L190-K194 WeakPolarHBondContact CA-O 3.4Å; I191-K194 PolarHBondContact N-O 2.89Å; I191-K194 PolarHBondContact O-N 2.97Å; G192-K194 VanDerWaalsContact C-N 3.27Å; G192-K194 PolarHBondContact O-N 2.85Å; K194-F222 HydrophobicContact CB-CD1 4.2Å; K194-C223 WeakPolarHBondContact CD-O 3.44Å; K194-T224 WeakPolarHBondContact CE-O 3.41Å; K194-T224 PolarHBondContact NZ-O 2.8Å; K194-K226 HydrophobicContact CG-CG 4.49Å
195K92.2Very high94.5Very high6 Ų621.2 Ų21.23%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-73.7147.9172.9-179.2179.2-174.2-176.90110Y184 P188 L190 F222 C223 Y227 H240Y184-K195 VanDerWaalsContact CZ-NZ 3.33Å; Y184-K195 PolarHBondContact OH-NZ 2.92Å; P188-K195 HydrophobicContact CB-CD 4.33Å; P188-K195 HydrophobicContact CB-CG 3.99Å; P188-K195 HydrophobicContact CG-CB 4.4Å; P188-K195 HydrophobicContact CG-CD 4.03Å; P188-K195 HydrophobicContact CG-CG 3.96Å; L190-K195 HydrophobicContact CD2-CB 4.14Å; K195-F222 WeakPolarHBondContact O-CA 3.35Å; K195-C223 PolarHBondContact O-N 3.33Å; K195-Y227 HydrophobicContact CB-CD2 3.97Å; K195-Y227 HydrophobicContact CB-CG 4.3Å; K195-Y227 HydrophobicContact CD-CD2 3.96Å; K195-Y227 HydrophobicContact CD-CE2 4.04Å; K195-H240 PolarHBondContact NZ-O 2.63Å
196F94.8Very high94.6Very high2 Ų221 Ų211%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-145.4162.7172.868.8-79.9000112.5L189 I191 L198 C220 R221 F222 L266L189-F196 HydrophobicContact CB-CE1 4.33Å; L189-F196 HydrophobicContact CD2-CE1 4.23Å; L189-F196 HydrophobicContact CD2-CZ 3.97Å; L189-F196 HydrophobicContact CG-CE1 4.15Å; L189-F196 HydrophobicContact CG-CZ 4.38Å; L189-F196 VanDerWaalsContact O-CE1 3.3Å; L189-F196 WeakPolarHBondContact O-CE1 3.38Å; I191-F196 HydrophobicContact CD1-CD1 4.39Å; I191-F196 HydrophobicContact CD1-CE1 3.71Å; I191-F196 HydrophobicContact CD1-CZ 3.94Å; I191-F196 HydrophobicContact CG1-CD1 4.44Å; I191-F196 HydrophobicContact CG1-CE1 3.83Å; I191-F196 HydrophobicContact CG1-CZ 4.49Å; F196-L198 HydrophobicContact CD2-CD1 4.07Å; F196-L198 HydrophobicContact CE2-CD1 3.64Å; F196-L198 HydrophobicContact CE2-CG 4.38Å; F196-C220 HydrophobicContact CD2-CB 3.74Å; F196-C220 HydrophobicContact CE2-CB 4.36Å; F196-C220 HydrophobicContact CG-CB 4.45Å; F196-R221 WeakPolarHBondContact CA-O 3.46Å; F196-R221 VanDerWaalsContact CB-O 3.26Å; F196-R221 WeakPolarHBondContact CB-O 3.37Å; F196-F222 HydrophobicContact CB-CD1 3.6Å; F196-F222 HydrophobicContact CB-CD2 4.43Å; F196-F222 HydrophobicContact CB-CE1 3.68Å; F196-F222 HydrophobicContact CB-CG 3.99Å; F196-F222 HydrophobicContact CB-CZ 4.18Å; F196-F222 HydrophobicContact CD1-CD1 4.29Å; F196-F222 AromaticContact CD1-CE1 3.67Å; F196-F222 HydrophobicContact CD1-CE1 3.67Å; F196-F222 HydrophobicContact CD1-CZ 4.27Å; F196-F222 HydrophobicContact CG-CD1 4.22Å; F196-F222 AromaticContact CG-CE1 3.77Å; F196-F222 HydrophobicContact CG-CE1 3.77Å; F196-F222 HydrophobicContact CG-CZ 4.12Å; F196-L266 HydrophobicContact CE2-CD1 3.97Å; F196-L266 HydrophobicContact CE2-CD2 4.05Å; F196-L266 HydrophobicContact CZ-CD1 3.79Å
197D95.4Very high94.8Very high5 Ų516.9 Ų16.93%0.02711%0.108CC..EExtended strand (participates in β ladder)trans-123.3158.9165.681.2-97.2000110C220 R221 T242 I315 I316D197-C220 CarbonylContact O-C 3.59Å; D197-C220 WeakPolarHBondContact O-CA 3.25Å; D197-R221 PolarHBondContact N-O 2.89Å; D197-R221 VanDerWaalsContact N-O 3.13Å; D197-R221 PolarHBondContact O-N 2.72Å; D197-R221 IonicContact OD1-CZ 2.64Å; D197-R221 IonicContact OD1-NE 2.72Å; D197-R221 PolarHBondContact OD1-NE 2.92Å; D197-R221 IonicContact OD1-NH2 3.07Å; D197-R221 PolarHBondContact OD1-NH2 2.97Å; D197-R221 VanDerWaalsContact OD1-NH2 3.14Å; D197-R221 IonicContact OD2-CZ 2.58Å; D197-R221 VanDerWaalsContact OD2-CZ 3.24Å; D197-R221 IonicContact OD2-NE 2.79Å; D197-R221 PolarHBondContact OD2-NE 3.04Å; D197-R221 IonicContact OD2-NH2 3.33Å; D197-R221 PolarHBondContact OD2-NH2 3.34Å; D197-T242 WeakPolarHBondContact OD1-CB 3.29Å; D197-T242 PolarHBondContact OD1-OG1 2.68Å; D197-I315 CarbonylContact C-O 3.49Å; D197-I315 WeakPolarHBondContact CA-O 3.38Å; D197-I316 HydrophobicContact CB-CG1 3.88Å
198L96.3Very high94.7Very high0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-100.9126.3175.7-66.479.7000110F196 L200 L266 I286 Y313 D314 I315 I317F196-L198 HydrophobicContact CD2-CD1 4.07Å; F196-L198 HydrophobicContact CE2-CD1 3.64Å; F196-L198 HydrophobicContact CE2-CG 4.38Å; L198-L200 HydrophobicContact CB-CG 4.41Å; L198-L266 HydrophobicContact CD1-CD2 4.36Å; L198-L266 HydrophobicContact CD2-CD2 3.64Å; L198-L266 HydrophobicContact CG-CD2 4.06Å; L198-I286 HydrophobicContact CD2-CD1 4.17Å; L198-Y313 VanDerWaalsContact O-O 3.12Å; L198-D314 WeakPolarHBondContact O-CA 3.42Å; L198-I315 HydrophobicContact CB-CB 4.43Å; L198-I315 WeakPolarHBondContact CD1-O 2.99Å; L198-I315 PolarHBondContact N-O 3.39Å; L198-I315 PolarHBondContact O-N 2.88Å; L198-I317 HydrophobicContact CD1-CD1 3.58Å; L198-I317 HydrophobicContact CD1-CG1 3.78Å; L198-I317 HydrophobicContact CD2-CD1 4.12Å
199R96.3Very high94.6Very high19 Ų1921.9 Ų21.97%0.07213%0.127CC..EExtended strand (participates in β ladder)trans-95.3115.9162.6174.956.35576.2-5109.7Y201 G218 F219 R221 Y313 D314 N329R199-Y201 HydrophobicContact CG-CE2 4.16Å; R199-G218 WeakPolarHBondContact O-CA 3.41Å; R199-F219 HydrophobicContact CB-CD2 4Å; R199-F219 HydrophobicContact CB-CE1 4.21Å; R199-F219 HydrophobicContact CB-CE2 3.63Å; R199-F219 HydrophobicContact CB-CG 4.43Å; R199-F219 HydrophobicContact CB-CZ 3.75Å; R199-F219 HydrophobicContact CG-CE1 3.87Å; R199-F219 HydrophobicContact CG-CE2 4.02Å; R199-F219 HydrophobicContact CG-CZ 3.57Å; R199-F219 PolarHBondContact N-O 3.11Å; R199-F219 PolarHBondContact O-N 3.02Å; R199-F219 VanDerWaalsContact O-N 3.08Å; R199-R221 VanDerWaalsContact NH2-NH1 3.13Å; R199-Y313 WeakPolarHBondContact CA-O 3.43Å; R199-D314 IonicContact CZ-OD1 3.08Å; R199-D314 IonicContact CZ-OD2 3.95Å; R199-D314 IonicContact NE-OD1 2.67Å; R199-D314 PolarHBondContact NE-OD1 3.4Å; R199-D314 IonicContact NH2-OD1 3.61Å; R199-D314 PolarHBondContact NH2-OD1 2.71Å; R199-D314 IonicContact NH2-OD2 3.98Å; R199-D314 PolarHBondContact NH2-OD2 2.98Å; R199-N329 PolarHBondContact NH2-ND2 2.92Å
200L97.3Very high94.6Very high4 Ų421.4 Ų21.42%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-117.1151.8175.8-58.1170000110.2L198 M214 V263 I286 G312 Y313 I315L198-L200 HydrophobicContact CB-CG 4.41Å; L200-M214 HydrophobicContact CB-CE 3.62Å; L200-M214 HydrophobicContact CD1-CE 3.66Å; L200-M214 HydrophobicContact CD2-CE 3.83Å; L200-M214 HydrophobicContact CG-CE 3.88Å; L200-V263 HydrophobicContact CD2-CG2 3.66Å; L200-I286 HydrophobicContact CD1-CG2 3.47Å; L200-I286 VanDerWaalsContact CD1-CG2 3.47Å; L200-G312 CarbonylContact O-C 3.46Å; L200-G312 WeakPolarHBondContact O-CA 3.26Å; L200-Y313 PolarHBondContact N-O 2.9Å; L200-Y313 PolarHBondContact O-N 2.73Å; L200-I315 HydrophobicContact CD1-CD1 3.9Å
201Y98Very high94.6Very high0 Ų018.5 Ų18.50%011%0.11CC..EExtended strand (participates in β ladder)trans-114.2128.8-179.5-63.2-83.3000110.4R199 Y215 F219 Y311 P332 L344 L348R199-Y201 HydrophobicContact CG-CE2 4.16Å; Y201-Y215 HydrophobicContact CD2-CD1 4.44Å; Y201-Y215 WeakPolarHBondContact O-CB 3.39Å; Y201-Y215 PolarHBondContact O-N 2.83Å; Y201-F219 HydrophobicContact CE2-CE1 4.07Å; Y201-F219 WeakPolarHBondContact OH-CE1 3.33Å; Y201-Y311 WeakPolarHBondContact CA-O 3.43Å; Y201-P332 HydrophobicContact CD1-CB 4.35Å; Y201-P332 HydrophobicContact CD1-CG 3.99Å; Y201-P332 HydrophobicContact CE1-CB 3.82Å; Y201-P332 HydrophobicContact CE1-CG 3.82Å; Y201-L344 HydrophobicContact CD2-CD2 4.37Å; Y201-L344 HydrophobicContact CE2-CD2 3.69Å; Y201-L348 HydrophobicContact CD1-CD1 4.3Å; Y201-L348 HydrophobicContact CD1-CD2 3.42Å; Y201-L348 VanDerWaalsContact CD1-CD2 3.42Å; Y201-L348 HydrophobicContact CD2-CD1 4.42Å; Y201-L348 HydrophobicContact CD2-CD2 4.19Å; Y201-L348 HydrophobicContact CE1-CD2 3.52Å; Y201-L348 HydrophobicContact CE2-CD2 4.31Å; Y201-L348 HydrophobicContact CG-CD1 3.92Å; Y201-L348 HydrophobicContact CG-CD2 3.75Å
202V98.3Very high94.8Very high0 Ų017.9 Ų17.90%011%0.106CC..EExtended strand (participates in β ladder)trans-128.1120.4-177.7179.90000108V204 C212 Y213 M214 V290 L294 C310 Y311 Y313V202-V204 HydrophobicContact CG1-CG2 4.36Å; V202-C212 HydrophobicContact CG1-CB 4.4Å; V202-Y213 CarbonylContact C-O 3.58Å; V202-Y213 WeakPolarHBondContact CA-O 3.38Å; V202-M214 HydrophobicContact CG2-SD 3.73Å; V202-V290 HydrophobicContact CB-CG1 4.32Å; V202-V290 HydrophobicContact CG1-CG1 3.8Å; V202-V290 HydrophobicContact CG2-CG1 3.62Å; V202-V290 HydrophobicContact CG2-CG2 4.21Å; V202-L294 HydrophobicContact CG1-CD1 4.19Å; V202-C310 CarbonylContact O-C 2.83Å; V202-Y311 PolarHBondContact N-O 2.65Å; V202-Y311 PolarHBondContact O-N 3.43Å; V202-Y313 HydrophobicContact CB-CD2 3.91Å; V202-Y313 HydrophobicContact CB-CE2 3.86Å; V202-Y313 HydrophobicContact CG1-CE2 4.34Å; V202-Y313 HydrophobicContact CG2-CD2 3.53Å; V202-Y313 HydrophobicContact CG2-CE2 3.81Å; V202-Y313 HydrophobicContact CG2-CG 4.24Å
203L97.9Very high95.1Very high0 Ų015 Ų150%08%0.075CC..EExtended strand (participates in β ladder)trans-94.3128.1173.7173.963000108.8T205 C212 Y213 F308 E309 T352 I355 V356 Y379L203-T205 HydrophobicContact CD2-CG2 4.4Å; L203-T205 HydrophobicContact CG-CG2 4.27Å; L203-C212 CarbonylContact O-C 3.59Å; L203-C212 VanDerWaalsContact O-CA 3.25Å; L203-C212 WeakPolarHBondContact O-CA 3.08Å; L203-Y213 HydrophobicContact CD2-CD2 4.46Å; L203-Y213 HydrophobicContact CG-CD2 4.39Å; L203-Y213 PolarHBondContact N-O 3.43Å; L203-Y213 PolarHBondContact O-N 2.88Å; L203-F308 HydrophobicContact CD1-CD2 3.83Å; L203-E309 CarbonylContact C-O 3.53Å; L203-E309 WeakPolarHBondContact CA-O 3.24Å; L203-T352 HydrophobicContact CD1-CG2 3.92Å; L203-T352 HydrophobicContact CD2-CG2 4.17Å; L203-I355 HydrophobicContact CD2-CB 3.9Å; L203-I355 HydrophobicContact CD2-CD1 3.81Å; L203-I355 HydrophobicContact CD2-CG1 4.47Å; L203-I355 HydrophobicContact CD2-CG2 3.59Å; L203-V356 HydrophobicContact CD1-CG1 4.31Å; L203-V356 HydrophobicContact CD2-CG1 4.36Å; L203-Y379 HydrophobicContact CB-CD1 4.25Å; L203-Y379 HydrophobicContact CB-CE1 3.51Å; L203-Y379 HydrophobicContact CD2-CE1 4.44Å; L203-Y379 HydrophobicContact CD2-CE2 4.37Å
204V97.3Very high95.5Very high0 Ų014 Ų140%06%0.063CC..EExtended strand (participates in β ladder)trans-113.7118.3170.9-178.20000107.5F65 V202 T206 Y207 L210 C212 L294 F308 E309 Y311F65-V204 HydrophobicContact CE2-CB 4.37Å; F65-V204 HydrophobicContact CE2-CG1 4.18Å; F65-V204 HydrophobicContact CZ-CG1 4.43Å; V202-V204 HydrophobicContact CG1-CG2 4.36Å; V204-T206 WeakPolarHBondContact CG1-O 3.41Å; V204-Y207 HydrophobicContact CB-CE2 4.32Å; V204-Y207 HydrophobicContact CG1-CD2 3.76Å; V204-Y207 HydrophobicContact CG1-CE1 4.49Å; V204-Y207 HydrophobicContact CG1-CE2 3.6Å; V204-Y207 HydrophobicContact CG1-CG 4.32Å; V204-L210 HydrophobicContact CG1-CD1 4.21Å; V204-C212 HydrophobicContact CG2-CB 3.94Å; V204-L294 HydrophobicContact CG2-CD1 3.89Å; V204-L294 HydrophobicContact CG2-CD2 3.79Å; V204-F308 WeakPolarHBondContact O-CA 3.42Å; V204-E309 PolarHBondContact N-O 2.85Å; V204-E309 PolarHBondContact O-N 3.08Å; V204-Y311 HydrophobicContact CB-CE2 4.1Å; V204-Y311 HydrophobicContact CG2-CD2 3.85Å; V204-Y311 HydrophobicContact CG2-CE2 3.7Å
205T95.1Very high95.9Very high1 Ų111 Ų111%0.0065%0.05CC..EExtended strand (participates in β ladder)trans-90.3-35.9175.558.40000110.1L203 K211 Y213 I355 V356 R369L203-T205 HydrophobicContact CD2-CG2 4.4Å; L203-T205 HydrophobicContact CG-CG2 4.27Å; T205-K211 PolarHBondContact N-O 2.8Å; T205-K211 VanDerWaalsContact N-O 3.12Å; T205-Y213 HydrophobicContact CG2-CD2 4.26Å; T205-Y213 HydrophobicContact CG2-CE2 3.69Å; T205-I355 HydrophobicContact CG2-CG2 3.83Å; T205-V356 HydrophobicContact CG2-CG1 4.25Å; T205-R369 PolarHBondContact O-NH1 3.35Å
206T94.7Very high96Very high12 Ų1215.8 Ų15.87%0.0747%0.071CC..EExtended strand (participates in β ladder)trans-149.5149177.6163.80000109.5V204 R208 P209 L210 K211 N303V204-T206 WeakPolarHBondContact CG1-O 3.41Å; T206-R208 VanDerWaalsContact OG1-C 3.3Å; T206-R208 PolarHBondContact OG1-N 2.97Å; T206-R208 VanDerWaalsContact OG1-N 3.11Å; T206-R208 PolarHBondContact OG1-O 2.92Å; T206-P209 CarbonylContact C-O 3.52Å; T206-P209 WeakPolarHBondContact CB-O 3.43Å; T206-P209 WeakPolarHBondContact CG2-O 3.3Å; T206-P209 PolarHBondContact OG1-O 3.49Å; T206-L210 CarbonylContact O-C 3.48Å; T206-L210 VanDerWaalsContact O-CA 3.29Å; T206-L210 WeakPolarHBondContact O-CA 3.29Å; T206-K211 HydrophobicContact CG2-CB 3.76Å; T206-K211 HydrophobicContact CG2-CD 3.96Å; T206-K211 HydrophobicContact CG2-CG 3.82Å; T206-K211 PolarHBondContact O-N 2.92Å; T206-N303 PolarHBondContact OG1-OD1 2.9Å
207Y95.3Very high96Very high1 Ų118.1 Ų18.10%0.0048%0.083CC..EExtended strand (participates in β ladder)trans-99.8-15.4171.2-81.8-87.6000113F65 V204 P209 L210 L294 A298 M301 N303 Y311F65-Y207 HydrophobicContact CD1-CD2 4.38Å; F65-Y207 HydrophobicContact CD2-CD2 4.08Å; F65-Y207 AromaticContact CD2-CE2 3.68Å; F65-Y207 HydrophobicContact CD2-CE2 3.68Å; F65-Y207 HydrophobicContact CE1-CD2 4.09Å; F65-Y207 AromaticContact CE2-CD2 3.77Å; F65-Y207 HydrophobicContact CE2-CD2 3.77Å; F65-Y207 AromaticContact CE2-CE2 3.58Å; F65-Y207 HydrophobicContact CE2-CE2 3.58Å; F65-Y207 HydrophobicContact CG-CD2 4.38Å; F65-Y207 HydrophobicContact CG-CE2 4.28Å; F65-Y207 AromaticContact CZ-CD2 3.78Å; F65-Y207 HydrophobicContact CZ-CD2 3.78Å; F65-Y207 HydrophobicContact CZ-CE2 4.11Å; V204-Y207 HydrophobicContact CB-CE2 4.32Å; V204-Y207 HydrophobicContact CG1-CD2 3.76Å; V204-Y207 HydrophobicContact CG1-CE1 4.49Å; V204-Y207 HydrophobicContact CG1-CE2 3.6Å; V204-Y207 HydrophobicContact CG1-CG 4.32Å; Y207-P209 VanDerWaalsContact C-C 3.49Å; Y207-P209 CarbonylContact C-O 3.56Å; Y207-L210 HydrophobicContact CD1-CD1 3.86Å; Y207-L210 HydrophobicContact CE1-CD1 4.27Å; Y207-L210 HydrophobicContact CG-CD1 4.38Å; Y207-L210 PolarHBondContact O-N 2.95Å; Y207-L294 HydrophobicContact CE1-CB 4.46Å; Y207-L294 HydrophobicContact CE1-CD2 4.01Å; Y207-L294 WeakPolarHBondContact OH-CD2 3.36Å; Y207-A298 HydrophobicContact CD1-CB 3.9Å; Y207-M301 HydrophobicContact CD1-CB 4.22Å; Y207-M301 HydrophobicContact CD1-CG 4.32Å; Y207-M301 HydrophobicContact CD2-CB 4.23Å; Y207-M301 HydrophobicContact CD2-CG 3.51Å; Y207-M301 HydrophobicContact CE1-CE 4.3Å; Y207-M301 HydrophobicContact CE2-CE 3.92Å; Y207-M301 HydrophobicContact CE2-CG 3.72Å; Y207-M301 HydrophobicContact CE2-SD 4.2Å; Y207-M301 HydrophobicContact CG-CB 4Å; Y207-M301 HydrophobicContact CG-CG 3.8Å; Y207-N303 PolarHBondContact N-OD1 2.81Å; Y207-Y311 VanDerWaalsContact OH-CE2 3.28Å; Y207-Y311 WeakPolarHBondContact OH-CE2 3.34Å; Y207-Y311 PolarHBondContact OH-OH 2.81Å
208R91.8Very high95.9Very high120 Ų12018 Ų1845%0.4538%0.083SC..THydrogen-bonded Turntrans-142.899.2176.2-61.7-168.6-162.897.55.6110.6T206 A298 P299 M301 N303T206-R208 VanDerWaalsContact OG1-C 3.3Å; T206-R208 PolarHBondContact OG1-N 2.97Å; T206-R208 VanDerWaalsContact OG1-N 3.11Å; T206-R208 PolarHBondContact OG1-O 2.92Å; R208-A298 PolarHBondContact NH2-O 3.06Å; R208-A298 VanDerWaalsContact NH2-O 3.08Å; R208-P299 PolarHBondContact NH2-O 3.26Å; R208-M301 VanDerWaalsContact CZ-O 3.3Å; R208-M301 PolarHBondContact NH1-O 2.82Å; R208-M301 PolarHBondContact NH2-O 3.12Å; R208-N303 HydrophobicContact CB-CB 4.25Å; R208-N303 HydrophobicContact CG-CB 4.26Å; R208-N303 PolarHBondContact N-OD1 2.92Å; R208-N303 PolarHBondContact O-ND2 3.31Å; R208-N303 VanDerWaalsContact O-ND2 3.15Å
209P93.3Very high95.8Very high41 Ų4118.5 Ų18.527%0.2669%0.085SC..THydrogen-bonded Turncis-65.5153.8-9.127.6-33000111.7T206 Y207 K211 E385 E386T206-P209 CarbonylContact C-O 3.52Å; T206-P209 WeakPolarHBondContact CB-O 3.43Å; T206-P209 WeakPolarHBondContact CG2-O 3.3Å; T206-P209 PolarHBondContact OG1-O 3.49Å; Y207-P209 VanDerWaalsContact C-C 3.49Å; Y207-P209 CarbonylContact C-O 3.56Å; P209-K211 PolarHBondContact O-N 2.85Å; P209-E385 WeakPolarHBondContact CA-OE2 3.36Å; P209-E385 HydrophobicContact CB-CB 4.07Å; P209-E385 HydrophobicContact CB-CG 4.5Å; P209-E386 HydrophobicContact CB-CG 3.56Å; P209-E386 VanDerWaalsContact CG-CD 3.43Å; P209-E386 HydrophobicContact CG-CG 3.42Å; P209-E386 VanDerWaalsContact CG-CG 3.42Å
210L95.8Very high95.7Very high1 Ų117.6 Ų17.61%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-71.7116.7178.2178.163.5000111V204 T206 Y207 L294 K295 Y383 E385V204-L210 HydrophobicContact CG1-CD1 4.21Å; T206-L210 CarbonylContact O-C 3.48Å; T206-L210 VanDerWaalsContact O-CA 3.29Å; T206-L210 WeakPolarHBondContact O-CA 3.29Å; Y207-L210 HydrophobicContact CD1-CD1 3.86Å; Y207-L210 HydrophobicContact CE1-CD1 4.27Å; Y207-L210 HydrophobicContact CG-CD1 4.38Å; Y207-L210 PolarHBondContact O-N 2.95Å; L210-L294 HydrophobicContact CD1-CB 4.28Å; L210-L294 HydrophobicContact CD2-CB 4.05Å; L210-K295 HydrophobicContact CD2-CG 3.87Å; L210-Y383 HydrophobicContact CB-CD1 4.37Å; L210-Y383 HydrophobicContact CB-CE1 4.28Å; L210-Y383 HydrophobicContact CD2-CD1 3.86Å; L210-Y383 HydrophobicContact CD2-CE1 4.06Å; L210-Y383 HydrophobicContact CG-CD1 4Å; L210-Y383 HydrophobicContact CG-CE1 4.33Å; L210-E385 HydrophobicContact CB-CB 4.26Å; L210-E385 PolarHBondContact N-OE2 3.01Å; L210-E385 WeakPolarHBondContact O-CB 3.4Å; L210-E385 PolarHBondContact O-N 3.02Å
211K95.6Very high95.4Very high4 Ų418.3 Ų18.32%0.0178%0.084CC..EExtended strand (participates in β ladder)trans-125.9118.3171.3-63.7-175.9-179.6175.40110T205 T206 P209 N368 S370 Y383 D384 E386T205-K211 PolarHBondContact N-O 2.8Å; T205-K211 VanDerWaalsContact N-O 3.12Å; T206-K211 HydrophobicContact CG2-CB 3.76Å; T206-K211 HydrophobicContact CG2-CD 3.96Å; T206-K211 HydrophobicContact CG2-CG 3.82Å; T206-K211 PolarHBondContact O-N 2.92Å; P209-K211 PolarHBondContact O-N 2.85Å; K211-N368 PolarHBondContact NZ-O 3.07Å; K211-S370 PolarHBondContact NZ-OG 2.85Å; K211-Y383 WeakPolarHBondContact CA-O 3.32Å; K211-D384 WeakPolarHBondContact CE-OD1 3.39Å; K211-D384 WeakPolarHBondContact CE-OD2 3.31Å; K211-E386 WeakPolarHBondContact CE-OE2 3.44Å; K211-E386 IonicContact NZ-OE2 3.83Å; K211-E386 PolarHBondContact NZ-OE2 3.21Å
212C96.6Very high95Very high0 Ų019.5 Ų19.50%09%0.089CC..EExtended strand (participates in β ladder)trans-136150.2178.7710000113.1V202 L203 V204 L294 L382 Y383V202-C212 HydrophobicContact CG1-CB 4.4Å; L203-C212 CarbonylContact O-C 3.59Å; L203-C212 VanDerWaalsContact O-CA 3.25Å; L203-C212 WeakPolarHBondContact O-CA 3.08Å; V204-C212 HydrophobicContact CG2-CB 3.94Å; C212-L294 HydrophobicContact CB-CD1 3.68Å; C212-L382 WeakPolarHBondContact O-CB 3.33Å; C212-L382 PolarHBondContact O-N 3.24Å; C212-Y383 PolarHBondContact N-O 3.23Å; C212-Y383 PolarHBondContact O-N 2.63Å; C212-Y383 VanDerWaalsContact O-N 3.15Å
213Y97.3Very high94.3Very high4 Ų419.6 Ų19.62%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-128.6134.7-173-53.4-100.9000109V202 L203 T205 I355 R369 L376 Q380 V381V202-Y213 CarbonylContact C-O 3.58Å; V202-Y213 WeakPolarHBondContact CA-O 3.38Å; L203-Y213 HydrophobicContact CD2-CD2 4.46Å; L203-Y213 HydrophobicContact CG-CD2 4.39Å; L203-Y213 PolarHBondContact N-O 3.43Å; L203-Y213 PolarHBondContact O-N 2.88Å; T205-Y213 HydrophobicContact CG2-CD2 4.26Å; T205-Y213 HydrophobicContact CG2-CE2 3.69Å; Y213-I355 HydrophobicContact CD1-CD1 4.4Å; Y213-I355 HydrophobicContact CE2-CG2 4.3Å; Y213-I355 HydrophobicContact CG-CD1 4.49Å; Y213-R369 PolarHBondContact OH-O 3.27Å; Y213-L376 HydrophobicContact CD1-CD2 3.92Å; Y213-L376 HydrophobicContact CE1-CD2 3.7Å; Y213-Q380 CarbonylContact C-O 3.41Å; Y213-Q380 VanDerWaalsContact CA-O 3.23Å; Y213-Q380 WeakPolarHBondContact CA-O 3.37Å; Y213-V381 HydrophobicContact CD1-CB 4.49Å; Y213-V381 HydrophobicContact CD1-CG2 3.95Å; Y213-V381 HydrophobicContact CE1-CG2 3.73Å
214M97.2Very high93.2Very high8 Ų820.1 Ų20.14%0.0399%0.093CC..EExtended strand (participates in β ladder)trans-95.7128.7174.7-174.566.4172.200109.1L200 V202 Y379 Q380 L382L200-M214 HydrophobicContact CB-CE 3.62Å; L200-M214 HydrophobicContact CD1-CE 3.66Å; L200-M214 HydrophobicContact CD2-CE 3.83Å; L200-M214 HydrophobicContact CG-CE 3.88Å; V202-M214 HydrophobicContact CG2-SD 3.73Å; M214-Y379 CarbonylContact O-C 3.57Å; M214-Y379 WeakPolarHBondContact O-CA 3.43Å; M214-Q380 HydrophobicContact CB-CG 4.02Å; M214-Q380 PolarHBondContact N-O 2.95Å; M214-Q380 PolarHBondContact O-N 2.71Å; M214-L382 HydrophobicContact CB-CB 4.07Å; M214-L382 HydrophobicContact CB-CD1 4.25Å; M214-L382 HydrophobicContact CB-CD2 4.25Å; M214-L382 HydrophobicContact CB-CG 4.42Å
215Y97.3Very high92.3Very high2 Ų222.8 Ų22.81%0.00811%0.109CC..EExtended strand (participates in β ladder)trans-78.4127.8171.8-157.1-123.7000109.5Y201 L217 N347 L348 D351 N378 Y379Y201-Y215 HydrophobicContact CD2-CD1 4.44Å; Y201-Y215 WeakPolarHBondContact O-CB 3.39Å; Y201-Y215 PolarHBondContact O-N 2.83Å; Y215-L217 HydrophobicContact CD1-CB 3.88Å; Y215-L217 VanDerWaalsContact CD1-O 3.26Å; Y215-L217 WeakPolarHBondContact CD1-O 3.33Å; Y215-L217 HydrophobicContact CE1-CB 3.7Å; Y215-L217 HydrophobicContact CE1-CD1 4.21Å; Y215-L217 HydrophobicContact CE1-CG 4.2Å; Y215-L217 PolarHBondContact O-N 2.78Å; Y215-N347 WeakPolarHBondContact OH-CB 3.31Å; Y215-N347 PolarHBondContact OH-O 2.74Å; Y215-L348 HydrophobicContact CD1-CB 4.46Å; Y215-L348 HydrophobicContact CD1-CD1 3.49Å; Y215-L348 VanDerWaalsContact CD1-CD1 3.49Å; Y215-L348 HydrophobicContact CD2-CD1 3.88Å; Y215-L348 HydrophobicContact CE1-CB 3.88Å; Y215-L348 HydrophobicContact CE1-CD1 3.75Å; Y215-L348 HydrophobicContact CE1-CG 4.44Å; Y215-L348 HydrophobicContact CE2-CD1 4.09Å; Y215-L348 HydrophobicContact CG-CD1 3.59Å; Y215-L348 WeakPolarHBondContact OH-CA 3.16Å; Y215-L348 PolarHBondContact OH-N 2.89Å; Y215-L348 VanDerWaalsContact OH-N 3.13Å; Y215-D351 HydrophobicContact CE2-CB 3.98Å; Y215-D351 PolarHBondContact OH-OD2 2.94Å; Y215-N378 HydrophobicContact CD2-CB 4.01Å; Y215-N378 HydrophobicContact CE1-CB 4.46Å; Y215-N378 HydrophobicContact CE2-CB 3.42Å; Y215-N378 VanDerWaalsContact CE2-CB 3.42Å; Y215-Y379 AromaticContact CD2-CD1 3.83Å; Y215-Y379 HydrophobicContact CD2-CD1 3.83Å; Y215-Y379 AromaticContact CD2-CD2 3.54Å; Y215-Y379 HydrophobicContact CD2-CD2 3.54Å; Y215-Y379 AromaticContact CD2-CE1 3.74Å; Y215-Y379 HydrophobicContact CD2-CE1 3.74Å; Y215-Y379 AromaticContact CD2-CE2 3.43Å; Y215-Y379 HydrophobicContact CD2-CE2 3.43Å; Y215-Y379 VanDerWaalsContact CD2-CE2 3.43Å; Y215-Y379 AromaticContact CD2-CG 3.74Å; Y215-Y379 HydrophobicContact CD2-CG 3.74Å; Y215-Y379 AromaticContact CD2-CZ 3.54Å; Y215-Y379 AromaticContact CE2-CD2 3.89Å; Y215-Y379 HydrophobicContact CE2-CD2 3.89Å; Y215-Y379 AromaticContact CE2-CE2 3.76Å; Y215-Y379 HydrophobicContact CE2-CE2 3.76Å; Y215-Y379 HydrophobicContact CE2-CG 4.46Å; Y215-Y379 HydrophobicContact CG-CD1 4.42Å; Y215-Y379 HydrophobicContact CG-CE1 4.13Å; Y215-Y379 HydrophobicContact CG-CE2 4.43Å
216K94.6Very high91.8Very high108 Ų10829.5 Ų29.547%0.4714%0.138SC..SBendtrans-63.6-28.8-178.7-71.5167.4-172.6166.40112.6N378K216-N378 VanDerWaalsContact CB-O 3.23Å; K216-N378 WeakPolarHBondContact CB-O 3.44Å; K216-N378 WeakPolarHBondContact CD-O 3.47Å; K216-N378 WeakPolarHBondContact CG-O 3.25Å; K216-N378 PolarHBondContact N-O 3.03Å
217L94.4Very high91.2Very high50 Ų5030 Ų3026%0.26214%0.139SC..  trans-92.6140.8179.2-52.3179.3000110.5Y215 L344 N378Y215-L217 HydrophobicContact CD1-CB 3.88Å; Y215-L217 VanDerWaalsContact CD1-O 3.26Å; Y215-L217 WeakPolarHBondContact CD1-O 3.33Å; Y215-L217 HydrophobicContact CE1-CB 3.7Å; Y215-L217 HydrophobicContact CE1-CD1 4.21Å; Y215-L217 HydrophobicContact CE1-CG 4.2Å; Y215-L217 PolarHBondContact O-N 2.78Å; L217-L344 HydrophobicContact CB-CD1 4.02Å; L217-L344 HydrophobicContact CB-CG 4.25Å; L217-N378 HydrophobicContact CG-CB 4.47Å
218G94.3Very high90.4Very high2 Ų232.1 Ų32.12%0.02115%0.152CC..  trans-165.6-176175.300000108.7R199 T262 V263R199-G218 WeakPolarHBondContact O-CA 3.41Å; G218-T262 WeakPolarHBondContact O-CA 3.26Å; G218-V263 VanDerWaalsContact C-CG2 3.41Å; G218-V263 PolarHBondContact O-N 3.46Å
219F93.8Very high89.2Confident12 Ų1231.3 Ų31.35%0.05316%0.162CC..EExtended strand (participates in β ladder)trans-146.2148.3178.956-92.7000113.5R199 Y201 R221 K260 W261 L344R199-F219 HydrophobicContact CB-CD2 4Å; R199-F219 HydrophobicContact CB-CE1 4.21Å; R199-F219 HydrophobicContact CB-CE2 3.63Å; R199-F219 HydrophobicContact CB-CG 4.43Å; R199-F219 HydrophobicContact CB-CZ 3.75Å; R199-F219 HydrophobicContact CG-CE1 3.87Å; R199-F219 HydrophobicContact CG-CE2 4.02Å; R199-F219 HydrophobicContact CG-CZ 3.57Å; R199-F219 PolarHBondContact N-O 3.11Å; R199-F219 PolarHBondContact O-N 3.02Å; R199-F219 VanDerWaalsContact O-N 3.08Å; Y201-F219 HydrophobicContact CE2-CE1 4.07Å; Y201-F219 WeakPolarHBondContact OH-CE1 3.33Å; F219-R221 HydrophobicContact CD2-CG 3.72Å; F219-R221 HydrophobicContact CE2-CG 3.6Å; F219-K260 HydrophobicContact CD2-CD 3.89Å; F219-K260 HydrophobicContact CD2-CG 4.27Å; F219-K260 HydrophobicContact CE2-CD 4.28Å; F219-K260 HydrophobicContact CG-CD 4.3Å; F219-W261 CarbonylContact C-O 3.56Å; F219-W261 WeakPolarHBondContact CA-O 3.24Å; F219-W261 WeakPolarHBondContact CB-O 3.47Å; F219-L344 HydrophobicContact CD1-CD1 4.33Å
220C94.1Very high87.9Confident0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-84.2137.5165.6-540000108.9F196 D197 F222 K260 W261 L266F196-C220 HydrophobicContact CD2-CB 3.74Å; F196-C220 HydrophobicContact CE2-CB 4.36Å; F196-C220 HydrophobicContact CG-CB 4.45Å; D197-C220 CarbonylContact O-C 3.59Å; D197-C220 WeakPolarHBondContact O-CA 3.25Å; C220-F222 HydrophobicContact CB-CD2 4.47Å; C220-F222 HydrophobicContact CB-CE2 3.86Å; C220-F222 HydrophobicContact CB-CZ 4.31Å; C220-K260 WeakPolarHBondContact O-CA 3.46Å; C220-K260 WeakPolarHBondContact O-CB 3.34Å; C220-W261 HydrophobicContact CB-CB 4.28Å; C220-W261 PolarHBondContact N-O 3.43Å; C220-W261 PolarHBondContact O-N 2.94Å; C220-L266 VanDerWaalsContact SG-CD2 3.6Å
221R91.6Very high86.1Confident19 Ų1935.6 Ų35.67%0.07219%0.19CC..EExtended strand (participates in β ladder)trans-108.3116.1170.8-60.5178-72.1-168.3-1108.8F196 D197 R199 F219 T242 D314F196-R221 WeakPolarHBondContact CA-O 3.46Å; F196-R221 VanDerWaalsContact CB-O 3.26Å; F196-R221 WeakPolarHBondContact CB-O 3.37Å; D197-R221 PolarHBondContact N-O 2.89Å; D197-R221 VanDerWaalsContact N-O 3.13Å; D197-R221 PolarHBondContact O-N 2.72Å; D197-R221 IonicContact OD1-CZ 2.64Å; D197-R221 IonicContact OD1-NE 2.72Å; D197-R221 PolarHBondContact OD1-NE 2.92Å; D197-R221 IonicContact OD1-NH2 3.07Å; D197-R221 PolarHBondContact OD1-NH2 2.97Å; D197-R221 VanDerWaalsContact OD1-NH2 3.14Å; D197-R221 IonicContact OD2-CZ 2.58Å; D197-R221 VanDerWaalsContact OD2-CZ 3.24Å; D197-R221 IonicContact OD2-NE 2.79Å; D197-R221 PolarHBondContact OD2-NE 3.04Å; D197-R221 IonicContact OD2-NH2 3.33Å; D197-R221 PolarHBondContact OD2-NH2 3.34Å; R199-R221 VanDerWaalsContact NH2-NH1 3.13Å; F219-R221 HydrophobicContact CD2-CG 3.72Å; F219-R221 HydrophobicContact CE2-CG 3.6Å; R221-T242 WeakPolarHBondContact O-CG2 3.34Å; R221-D314 IonicContact CZ-OD2 3.7Å; R221-D314 IonicContact NH1-OD2 3.7Å; R221-D314 IonicContact NH2-OD1 2.81Å; R221-D314 IonicContact NH2-OD2 2.71Å; R221-D314 PolarHBondContact NH2-OD2 3.34Å
222F89.5Confident84.2Confident24 Ų2440 Ų4011%0.10522%0.221CC..EExtended strand (participates in β ladder)trans-88.4147.1178.4-70.1-89.6000111.4I191 K194 K195 F196 C220 G259 W261I191-F222 HydrophobicContact CB-CE1 3.96Å; I191-F222 HydrophobicContact CB-CZ 4.44Å; I191-F222 HydrophobicContact CD1-CE1 4.41Å; I191-F222 HydrophobicContact CD1-CZ 4.25Å; K194-F222 HydrophobicContact CB-CD1 4.2Å; K195-F222 WeakPolarHBondContact O-CA 3.35Å; F196-F222 HydrophobicContact CB-CD1 3.6Å; F196-F222 HydrophobicContact CB-CD2 4.43Å; F196-F222 HydrophobicContact CB-CE1 3.68Å; F196-F222 HydrophobicContact CB-CG 3.99Å; F196-F222 HydrophobicContact CB-CZ 4.18Å; F196-F222 HydrophobicContact CD1-CD1 4.29Å; F196-F222 AromaticContact CD1-CE1 3.67Å; F196-F222 HydrophobicContact CD1-CE1 3.67Å; F196-F222 HydrophobicContact CD1-CZ 4.27Å; F196-F222 HydrophobicContact CG-CD1 4.22Å; F196-F222 AromaticContact CG-CE1 3.77Å; F196-F222 HydrophobicContact CG-CE1 3.77Å; F196-F222 HydrophobicContact CG-CZ 4.12Å; C220-F222 HydrophobicContact CB-CD2 4.47Å; C220-F222 HydrophobicContact CB-CE2 3.86Å; C220-F222 HydrophobicContact CB-CZ 4.31Å; F222-G259 WeakPolarHBondContact CB-O 3.47Å; F222-G259 WeakPolarHBondContact CD2-O 3.43Å; F222-G259 PolarHBondContact N-O 3.23Å; F222-W261 HydrophobicContact CE2-CB 3.83Å; F222-W261 AromaticContact CE2-CD2 3.87Å; F222-W261 HydrophobicContact CE2-CD2 3.87Å; F222-W261 HydrophobicContact CE2-CE3 4.25Å; F222-W261 AromaticContact CE2-CG 3.67Å; F222-W261 HydrophobicContact CE2-CG 3.67Å; F222-W261 AromaticContact CZ-CD2 3.94Å; F222-W261 HydrophobicContact CZ-CD2 3.94Å; F222-W261 AromaticContact CZ-CE3 3.89Å; F222-W261 HydrophobicContact CZ-CE3 3.89Å; F222-W261 HydrophobicContact CZ-CG 4.22Å
223C83.5Confident82.3Confident2 Ų243.7 Ų43.71%0.01424%0.238CC..  trans-63.8150158.9-640000109.7K194 K195 V239 T242K194-C223 WeakPolarHBondContact CD-O 3.44Å; K195-C223 PolarHBondContact O-N 3.33Å; C223-V239 PolarHBondContact SG-O 2.91Å; C223-T242 VanDerWaalsContact SG-CG2 3.52Å
224T74.7Confident80.5Confident12 Ų1244.6 Ų44.67%0.07424%0.243CC..SBendtrans-71.3-39.9174.546.10000110.8K194 Q247 Y253K194-T224 WeakPolarHBondContact CE-O 3.41Å; K194-T224 PolarHBondContact NZ-O 2.8Å; T224-Q247 VanDerWaalsContact CB-OE1 3.27Å; T224-Q247 HydrophobicContact CG2-CB 4.28Å; T224-Q247 PolarHBondContact OG1-OE1 2.86Å; T224-Y253 HydrophobicContact CG2-CD2 4.29Å
225V78.7Confident78.7Confident56 Ų5651.5 Ų51.534%0.33928%0.281SS..SBendtrans-93.9151.6-177.4-1710000111.6V239V225-V239 HydrophobicContact CB-CG2 4.14Å; V225-V239 HydrophobicContact CG1-CG2 4.01Å
226K83.3Confident76.9Confident141 Ų14154.2 Ų54.261%0.61330%0.295SS*.PPolyproline II helixtrans-62.1144171.3-71.9-177.8179.3176.20110.5G193 K194G193-K226 CarbonylContact O-C 3.58Å; G193-K226 WeakPolarHBondContact O-CA 3.46Å; K194-K226 HydrophobicContact CG-CG 4.49Å
227Y83.4Confident75.4Confident24 Ų2453.4 Ų53.49%0.09429%0.294CS..PPolyproline II helixtrans-77.6126.1-178.8-178.5-100.9000111.1D186 P188 L190 G193 K195 P229 V239 H240D186-Y227 VanDerWaalsContact C-OH 3.3Å; D186-Y227 VanDerWaalsContact CA-OH 3.28Å; D186-Y227 WeakPolarHBondContact CA-OH 3.49Å; D186-Y227 WeakPolarHBondContact O-CE1 3.46Å; D186-Y227 PolarHBondContact O-OH 2.8Å; P188-Y227 HydrophobicContact CG-CD1 4.16Å; P188-Y227 HydrophobicContact CG-CD2 4.32Å; P188-Y227 HydrophobicContact CG-CE1 3.89Å; P188-Y227 HydrophobicContact CG-CE2 4.08Å; P188-Y227 HydrophobicContact CG-CG 4.35Å; L190-Y227 HydrophobicContact CD1-CD1 4.06Å; L190-Y227 HydrophobicContact CD2-CD1 3.96Å; L190-Y227 HydrophobicContact CD2-CG 3.88Å; G193-Y227 PolarHBondContact O-N 3.44Å; K195-Y227 HydrophobicContact CB-CD2 3.97Å; K195-Y227 HydrophobicContact CB-CG 4.3Å; K195-Y227 HydrophobicContact CD-CD2 3.96Å; K195-Y227 HydrophobicContact CD-CE2 4.04Å; Y227-P229 HydrophobicContact CE1-CB 4.28Å; Y227-V239 HydrophobicContact CD2-CG1 4.19Å; Y227-H240 AromaticContact CE2-ND1 3.97Å
228T76.8Confident73.6Confident44 Ų4454.2 Ų54.227%0.2730%0.296SS..  trans-118.2128.217248.20000108.3S230 E233T228-S230 PolarHBondContact O-N 2.89Å; T228-E233 PolarHBondContact OG1-OE2 2.99Å
229P68.6Low71.7Confident103 Ų10354.1 Ų54.167%0.66930%0.295SS*.  trans-78.33.2175.230.8-33.2000112.7Y227 T231Y227-P229 HydrophobicContact CE1-CB 4.28Å; P229-T231 PolarHBondContact O-N 2.91Å
230S65.1Low70.4Confident50 Ų5054 Ų5435%0.3529%0.294SS..  trans-68.5129.9-171.8-173.90000112.2T228 S232 E233T228-S230 PolarHBondContact O-N 2.89Å; S230-S232 PolarHBondContact O-N 3.08Å; S230-S232 VanDerWaalsContact O-N 3.14Å; S230-S232 PolarHBondContact OG-N 3.34Å; S230-S232 PolarHBondContact OG-OG 3.23Å; S230-E233 PolarHBondContact O-N 3.43Å
231T57.3Low69.1Low83 Ų8354.6 Ų54.651%0.50930%0.297SS..G310 helixtrans-64.7-13.5174.549.50000114.1N152 P229 E233 L234N152-T231 WeakPolarHBondContact ND2-CG2 3.32Å; P229-T231 PolarHBondContact O-N 2.91Å; T231-E233 VanDerWaalsContact C-N 3.27Å; T231-L234 HydrophobicContact CG2-CD1 4.43Å; T231-L234 WeakPolarHBondContact O-CD1 3.39Å; T231-L234 WeakPolarHBondContact O-CG 3.42Å
232S55.9Low67.4Low95 Ų9554.2 Ų54.266%0.66430%0.297SS*.G310 helixtrans-73.6-17176.858.50000113.3S230S230-S232 PolarHBondContact O-N 3.08Å; S230-S232 VanDerWaalsContact O-N 3.14Å; S230-S232 PolarHBondContact OG-N 3.34Å; S230-S232 PolarHBondContact OG-OG 3.23Å
233E57.1Low66.2Low78 Ų7854 Ų5436%0.36430%0.297SS..G310 helixtrans-113.515.4-175.5-66.1-178.2-17800113.1T228 S230 T231 D235 N236 H240T228-E233 PolarHBondContact OG1-OE2 2.99Å; S230-E233 PolarHBondContact O-N 3.43Å; T231-E233 VanDerWaalsContact C-N 3.27Å; E233-D235 PolarHBondContact O-N 3.08Å; E233-N236 WeakPolarHBondContact O-CB 3.35Å; E233-N236 PolarHBondContact O-N 2.86Å; E233-H240 PolarHBondContact O-NE2 3.02Å
234L59.3Low64.8Low23 Ų2355.5 Ų55.512%0.1231%0.306CS..THydrogen-bonded Turntrans-57.9-23.9-179.1-70.4171.4000113.9T134 L150 N152 T231 N236T134-L234 HydrophobicContact CG2-CD2 3.96Å; L150-L234 HydrophobicContact CB-CD2 3.98Å; L150-L234 HydrophobicContact CD1-CD2 3.57Å; L150-L234 HydrophobicContact CG-CD2 4.42Å; N152-L234 HydrophobicContact CB-CD1 4.1Å; N152-L234 WeakPolarHBondContact ND2-CD1 3.23Å; T231-L234 HydrophobicContact CG2-CD1 4.43Å; T231-L234 WeakPolarHBondContact O-CD1 3.39Å; T231-L234 WeakPolarHBondContact O-CG 3.42Å; L234-N236 VanDerWaalsContact C-N 3.34Å
235D59.3Low63.7Low154 Ų15457.2 Ų57.282%0.82432%0.322SS*.THydrogen-bonded Turntrans-78.4-18.1176.3-65.7-27000112.5E233 M237E233-D235 PolarHBondContact O-N 3.08Å; D235-M237 PolarHBondContact O-N 3.44Å
236N60.1Low62.7Low59 Ų5955.8 Ų55.832%0.31631%0.312SS..  trans-80.983.5176.4-168.3-7.3000111.2E233 L234 F238 V239 H240E233-N236 WeakPolarHBondContact O-CB 3.35Å; E233-N236 PolarHBondContact O-N 2.86Å; L234-N236 VanDerWaalsContact C-N 3.34Å; N236-F238 PolarHBondContact O-N 3.43Å; N236-F238 WeakPolarHBondContact OD1-CB 3.3Å; N236-F238 WeakPolarHBondContact OD1-CD2 3.29Å; N236-F238 PolarHBondContact OD1-N 3.24Å; N236-V239 HydrophobicContact CB-CG2 4.24Å; N236-V239 PolarHBondContact O-N 3.27Å; N236-V239 VanDerWaalsContact O-N 3.13Å; N236-H240 PolarHBondContact O-CD2 3.36Å
237M62.9Low61.5Low91 Ų9149.3 Ų49.345%0.44828%0.284SS..Hα-helixtrans-56.8-22.9178.5-69.7-168.8-71.100114.2D235 V239 H240 L241D235-M237 PolarHBondContact O-N 3.44Å; M237-V239 VanDerWaalsContact C-N 3.28Å; M237-V239 PolarHBondContact O-N 3.25Å; M237-H240 PolarHBondContact O-N 3.49Å; M237-L241 HydrophobicContact CB-CD1 4.16Å; M237-L241 HydrophobicContact CG-CD1 4.31Å; M237-L241 WeakPolarHBondContact O-CB 3.37Å; M237-L241 PolarHBondContact O-N 3.43Å; M237-L241 HydrophobicContact SD-CD1 4.21Å
238F56.1Low60Low67 Ų6752.9 Ų52.929%0.29430%0.3SS..Hα-helixtrans-68.8-24.7179.4-64.7-88.1000113.4N236 I246 Q247 H249N236-F238 PolarHBondContact O-N 3.43Å; N236-F238 WeakPolarHBondContact OD1-CB 3.3Å; N236-F238 WeakPolarHBondContact OD1-CD2 3.29Å; N236-F238 PolarHBondContact OD1-N 3.24Å; F238-I246 HydrophobicContact CD1-CG2 3.86Å; F238-I246 HydrophobicContact CE1-CG2 4Å; F238-I246 WeakPolarHBondContact CE1-O 3.29Å; F238-I246 HydrophobicContact CG-CG2 4.36Å; F238-Q247 PolarHBondContact O-NE2 3.26Å; F238-H249 HydrophobicContact CE1-CB 4.08Å; F238-H249 HydrophobicContact CZ-CB 4.21Å
239V55.5Low59.1Low0 Ų057.8 Ų57.80%032%0.319CS..Hα-helixtrans-78.9-33.2176.5-178.90000110.7C223 V225 Y227 N236 M237C223-V239 PolarHBondContact SG-O 2.91Å; V225-V239 HydrophobicContact CB-CG2 4.14Å; V225-V239 HydrophobicContact CG1-CG2 4.01Å; Y227-V239 HydrophobicContact CD2-CG1 4.19Å; N236-V239 HydrophobicContact CB-CG2 4.24Å; N236-V239 PolarHBondContact O-N 3.27Å; N236-V239 VanDerWaalsContact O-N 3.13Å; M237-V239 VanDerWaalsContact C-N 3.28Å; M237-V239 PolarHBondContact O-N 3.25Å
240H65.2Low58.6Low8 Ų853.5 Ų53.54%0.03729%0.294CS..Hα-helixtrans-103.5-24.8-165.8-60.8-56.9000115L150 Y184 K195 Y227 E233 N236 M237L150-H240 HydrophobicContact CD1-CB 4.04Å; Y184-H240 HydrophobicContact CE2-CB 4.47Å; Y184-H240 AromaticContact CZ-ND1 3.84Å; Y184-H240 WeakPolarHBondContact OH-CB 3.03Å; Y184-H240 PolarHBondContact OH-ND1 2.92Å; K195-H240 PolarHBondContact NZ-O 2.63Å; Y227-H240 AromaticContact CE2-ND1 3.97Å; E233-H240 PolarHBondContact O-NE2 3.02Å; N236-H240 PolarHBondContact O-CD2 3.36Å; M237-H240 PolarHBondContact O-N 3.49Å
241L67.4Low58.1Low13 Ų1359.3 Ų59.37%0.06832%0.321CS..  trans-115119.1-176.2-57-178.4000111.6I136 I148 M237 N243 I246 Q247I136-L241 HydrophobicContact CD1-CD2 4.2Å; I148-L241 HydrophobicContact CB-CD1 4.2Å; I148-L241 HydrophobicContact CD1-CD2 4.5Å; I148-L241 HydrophobicContact CG2-CD1 4.19Å; I148-L241 HydrophobicContact CG2-CD2 3.92Å; M237-L241 HydrophobicContact CB-CD1 4.16Å; M237-L241 HydrophobicContact CG-CD1 4.31Å; M237-L241 WeakPolarHBondContact O-CB 3.37Å; M237-L241 PolarHBondContact O-N 3.43Å; M237-L241 HydrophobicContact SD-CD1 4.21Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 3.48Å; L241-I246 HydrophobicContact CB-CD1 3.8Å; L241-I246 HydrophobicContact CD1-CD1 3.47Å; L241-I246 VanDerWaalsContact CD1-CD1 3.47Å; L241-I246 HydrophobicContact CG-CD1 4.28Å; L241-Q247 PolarHBondContact O-NE2 3.4Å
242T55.2Low58.2Low11 Ų1161 Ų617%0.06733%0.327CS..  trans-84.5-0.7-17648.30000114.1D197 R221 C223 V244D197-T242 WeakPolarHBondContact OD1-CB 3.29Å; D197-T242 PolarHBondContact OD1-OG1 2.68Å; R221-T242 WeakPolarHBondContact O-CG2 3.34Å; C223-T242 VanDerWaalsContact SG-CG2 3.52Å; T242-V244 PolarHBondContact O-N 2.89Å
243N65.3Low58.3Low21 Ų2157.5 Ų57.511%0.11230%0.3CS..  trans-62.3128.6-175.6-66.367.6000111.5L241 A245 I246 Q247L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 3.48Å; N243-A245 PolarHBondContact O-N 2.93Å; N243-A245 VanDerWaalsContact O-N 3.11Å; N243-I246 HydrophobicContact CB-CD1 4.41Å; N243-I246 HydrophobicContact CB-CG1 4.47Å; N243-I246 WeakPolarHBondContact O-CA 3.5Å; N243-I246 WeakPolarHBondContact O-CB 3.38Å; N243-I246 PolarHBondContact O-N 3.34Å; N243-Q247 WeakPolarHBondContact O-CG 3.45Å; N243-Q247 PolarHBondContact O-N 3.44Å
244V54.1Low58.5Low32 Ų3257.5 Ų57.519%0.19430%0.302CS..Hα-helixtrans-54.4-33.7178.5175.90000112.9T242 I246 Q247 K248T242-V244 PolarHBondContact O-N 2.89Å; V244-I246 PolarHBondContact O-N 3.44Å; V244-Q247 PolarHBondContact O-N 2.99Å; V244-K248 HydrophobicContact CG1-CD 3.76Å; V244-K248 HydrophobicContact CG1-CG 3.83Å; V244-K248 WeakPolarHBondContact O-CB 3.4Å; V244-K248 VanDerWaalsContact O-CG 3.26Å; V244-K248 WeakPolarHBondContact O-CG 3.32Å; V244-K248 PolarHBondContact O-N 2.93Å
245A52.3Low58.5Low49 Ų4963.5 Ų63.541%0.40533%0.329SS..Hα-helixtrans-62.9-24.917700000113.2Q144 N243Q144-A245 HydrophobicContact CB-CB 4.28Å; N243-A245 PolarHBondContact O-N 2.93Å; N243-A245 VanDerWaalsContact O-N 3.11Å
246I57.6Low58.5Low26 Ų2661.3 Ų61.313%0.13332%0.321CS..Hα-helixtrans-92.6-50.3175.2-60176.3000108.3F238 L241 N243 V244 K248 H249F238-I246 HydrophobicContact CD1-CG2 3.86Å; F238-I246 HydrophobicContact CE1-CG2 4Å; F238-I246 WeakPolarHBondContact CE1-O 3.29Å; F238-I246 HydrophobicContact CG-CG2 4.36Å; L241-I246 HydrophobicContact CB-CD1 3.8Å; L241-I246 HydrophobicContact CD1-CD1 3.47Å; L241-I246 VanDerWaalsContact CD1-CD1 3.47Å; L241-I246 HydrophobicContact CG-CD1 4.28Å; N243-I246 HydrophobicContact CB-CD1 4.41Å; N243-I246 HydrophobicContact CB-CG1 4.47Å; N243-I246 WeakPolarHBondContact O-CA 3.5Å; N243-I246 WeakPolarHBondContact O-CB 3.38Å; N243-I246 PolarHBondContact O-N 3.34Å; V244-I246 PolarHBondContact O-N 3.44Å; I246-K248 VanDerWaalsContact C-N 3.31Å; I246-K248 PolarHBondContact O-N 3.04Å; I246-H249 PolarHBondContact O-N 3.28Å
247Q56.4Low58.6Low4 Ų464 Ų642%0.01933%0.332CS..Hα-helixtrans-65.1-24.5-172.2-64.5-59.8-38.100115.5T224 F238 L241 N243 V244 H249 G250T224-Q247 VanDerWaalsContact CB-OE1 3.27Å; T224-Q247 HydrophobicContact CG2-CB 4.28Å; T224-Q247 PolarHBondContact OG1-OE1 2.86Å; F238-Q247 PolarHBondContact O-NE2 3.26Å; L241-Q247 PolarHBondContact O-NE2 3.4Å; N243-Q247 WeakPolarHBondContact O-CG 3.45Å; N243-Q247 PolarHBondContact O-N 3.44Å; V244-Q247 PolarHBondContact O-N 2.99Å; Q247-H249 PolarHBondContact O-N 3.16Å; Q247-G250 PolarHBondContact O-N 2.94Å; Q247-G250 VanDerWaalsContact O-N 3.11Å
248K52.5Low58.8Low100 Ų10059.9 Ų59.944%0.43531%0.313SS..THydrogen-bonded Turntrans-64.5-16.7177.1-82.9177.3169.9-171.30114.5V244 I246 Y253V244-K248 HydrophobicContact CG1-CD 3.76Å; V244-K248 HydrophobicContact CG1-CG 3.83Å; V244-K248 WeakPolarHBondContact O-CB 3.4Å; V244-K248 VanDerWaalsContact O-CG 3.26Å; V244-K248 WeakPolarHBondContact O-CG 3.32Å; V244-K248 PolarHBondContact O-N 2.93Å; I246-K248 VanDerWaalsContact C-N 3.31Å; I246-K248 PolarHBondContact O-N 3.04Å; K248-Y253 HydrophobicContact CG-CE1 4.21Å; K248-Y253 HydrophobicContact CG-CE2 4.25Å
249H57.9Low59.9Low146 Ų14658 Ų5868%0.67631%0.312SS*.THydrogen-bonded Turntrans-95.51.1177.3-61.4-69.1000112.8F238 I246 Q247F238-H249 HydrophobicContact CE1-CB 4.08Å; F238-H249 HydrophobicContact CZ-CB 4.21Å; I246-H249 PolarHBondContact O-N 3.28Å; Q247-H249 PolarHBondContact O-N 3.16Å
250G57.4Low61.5Low14 Ų1459.3 Ų59.314%0.14432%0.318CS..SBendtrans-82.5139175.800000111.8Q247 D252 Y253Q247-G250 PolarHBondContact O-N 2.94Å; Q247-G250 VanDerWaalsContact O-N 3.11Å; G250-D252 PolarHBondContact O-N 3.35Å; G250-Y253 WeakPolarHBondContact O-CB 3.32Å; G250-Y253 PolarHBondContact O-N 3.45Å; G250-Y253 VanDerWaalsContact O-N 3.11Å
251D54.5Low62.7Low171 Ų17163 Ų6391%0.91433%0.332SS*.THydrogen-bonded Turntrans-60.4-29.3-175.2-60.9-36.4000113.4Y253D251-Y253 VanDerWaalsContact C-N 3.33Å; D251-Y253 PolarHBondContact O-N 3.08Å
252D60.6Low63.9Low119 Ų11965.2 Ų65.264%0.63635%0.345SS*.THydrogen-bonded Turntrans-89.916.8179.5-72.7-28.5000114.1G250 N254G250-D252 PolarHBondContact O-N 3.35Å; D252-N254 PolarHBondContact O-N 3.45Å; D252-N254 VanDerWaalsContact O-N 3.1Å
253Y57.5Low65.8Low22 Ų2265.2 Ų65.29%0.08635%0.345CS..  trans-69.6109.1-178.6-173.6-101.5000111.7T224 K248 G250 D251 H255 G258T224-Y253 HydrophobicContact CG2-CD2 4.29Å; K248-Y253 HydrophobicContact CG-CE1 4.21Å; K248-Y253 HydrophobicContact CG-CE2 4.25Å; G250-Y253 WeakPolarHBondContact O-CB 3.32Å; G250-Y253 PolarHBondContact O-N 3.45Å; G250-Y253 VanDerWaalsContact O-N 3.11Å; D251-Y253 VanDerWaalsContact C-N 3.33Å; D251-Y253 PolarHBondContact O-N 3.08Å; Y253-H255 AromaticContact CD1-CE1 3.66Å; Y253-H255 AromaticContact CD1-CG 3.95Å; Y253-H255 AromaticContact CD1-ND1 3.7Å; Y253-H255 AromaticContact CD1-NE2 3.88Å; Y253-H255 AromaticContact CE1-ND1 3.74Å; Y253-H255 PolarHBondContact O-CD2 3.49Å; Y253-H255 PolarHBondContact O-N 3.05Å; Y253-H255 VanDerWaalsContact O-N 3.13Å; Y253-G258 WeakPolarHBondContact CE2-O 3.4Å; Y253-G258 WeakPolarHBondContact OH-CA 3.33Å
254N61.4Low67.2Low78 Ų7867.3 Ų67.342%0.41736%0.362SS..  trans-74.4105174.2-176.2-36.1000110.3D252 V256 H257 G258D252-N254 PolarHBondContact O-N 3.45Å; D252-N254 VanDerWaalsContact O-N 3.1Å; N254-V256 VanDerWaalsContact C-N 3.26Å; N254-V256 PolarHBondContact O-N 3.19Å; N254-V256 WeakPolarHBondContact OD1-CA 3.24Å; N254-V256 VanDerWaalsContact OD1-CB 3.32Å; N254-V256 WeakPolarHBondContact OD1-CB 3.4Å; N254-V256 PolarHBondContact OD1-N 2.67Å; N254-H257 PolarHBondContact OD1-N 3.41Å; N254-H257 VanDerWaalsContact OD1-N 3.1Å; N254-G258 WeakPolarHBondContact O-CA 3.44Å; N254-G258 PolarHBondContact O-N 3.47Å
255H60Low69.1Low149 Ų14969.7 Ų69.769%0.6937%0.373SS*.THydrogen-bonded Turntrans-66.3-20.9179.5-70.9-85.1000114.7Y253Y253-H255 AromaticContact CD1-CE1 3.66Å; Y253-H255 AromaticContact CD1-CG 3.95Å; Y253-H255 AromaticContact CD1-ND1 3.7Å; Y253-H255 AromaticContact CD1-NE2 3.88Å; Y253-H255 AromaticContact CE1-ND1 3.74Å; Y253-H255 PolarHBondContact O-CD2 3.49Å; Y253-H255 PolarHBondContact O-N 3.05Å; Y253-H255 VanDerWaalsContact O-N 3.13Å
256V58.7Low71.2Confident108 Ų10867.4 Ų67.466%0.65535%0.354SS*.THydrogen-bonded Turntrans-77.7-47.5-178.5-177.70000111.1N254N254-V256 VanDerWaalsContact C-N 3.26Å; N254-V256 PolarHBondContact O-N 3.19Å; N254-V256 WeakPolarHBondContact OD1-CA 3.24Å; N254-V256 VanDerWaalsContact OD1-CB 3.32Å; N254-V256 WeakPolarHBondContact OD1-CB 3.4Å; N254-V256 PolarHBondContact OD1-N 2.67Å
257H62.9Low73Confident115 Ų11571.1 Ų71.153%0.53237%0.366SS..THydrogen-bonded Turntrans-101.8-11.3-179.6-60.1-58.8000113.5N254 G259 K260N254-H257 PolarHBondContact OD1-N 3.41Å; N254-H257 VanDerWaalsContact OD1-N 3.1Å; H257-G259 PolarHBondContact O-N 3.11Å; H257-K260 PolarHBondContact O-N 3.2Å; H257-K260 VanDerWaalsContact O-N 3.16Å
258G65.9Low75Confident5 Ų576.3 Ų76.35%0.05239%0.394CS..THydrogen-bonded Turntrans6616.2178.600000114.9Y253 N254 K260Y253-G258 WeakPolarHBondContact CE2-O 3.4Å; Y253-G258 WeakPolarHBondContact OH-CA 3.33Å; N254-G258 WeakPolarHBondContact O-CA 3.44Å; N254-G258 PolarHBondContact O-N 3.47Å; G258-K260 VanDerWaalsContact C-N 3.33Å
259G79.9Confident77.1Confident27 Ų2775.4 Ų75.428%0.27839%0.388SS..THydrogen-bonded Turntrans65.534.3-170.800000112.9F222 H257F222-G259 WeakPolarHBondContact CB-O 3.47Å; F222-G259 WeakPolarHBondContact CD2-O 3.43Å; F222-G259 PolarHBondContact N-O 3.23Å; H257-G259 PolarHBondContact O-N 3.11Å
260K88Confident78.9Confident27 Ų2768.5 Ų68.512%0.11736%0.356CS..EExtended strand (participates in β ladder)trans-121.5143.2-177.3-64.7175.9179.81790112.9F219 C220 H257 G258 D341F219-K260 HydrophobicContact CD2-CD 3.89Å; F219-K260 HydrophobicContact CD2-CG 4.27Å; F219-K260 HydrophobicContact CE2-CD 4.28Å; F219-K260 HydrophobicContact CG-CD 4.3Å; C220-K260 WeakPolarHBondContact O-CA 3.46Å; C220-K260 WeakPolarHBondContact O-CB 3.34Å; H257-K260 PolarHBondContact O-N 3.2Å; H257-K260 VanDerWaalsContact O-N 3.16Å; G258-K260 VanDerWaalsContact C-N 3.33Å; K260-D341 IonicContact NZ-OD1 3.73Å; K260-D341 PolarHBondContact NZ-OD1 2.86Å; K260-D341 IonicContact NZ-OD2 3.97Å; K260-D341 PolarHBondContact NZ-OD2 2.99Å
261W91.4Very high80.8Confident87 Ų8770.4 Ų70.433%0.3336%0.361SS..EExtended strand (participates in β ladder)trans-112.8147.1161.8-79.8-2.3000110.3I191 F219 C220 F222 N265 Y269I191-W261 HydrophobicContact CD1-CE3 4.21Å; I191-W261 HydrophobicContact CD1-CZ3 3.77Å; I191-W261 HydrophobicContact CG2-CH2 3.57Å; I191-W261 HydrophobicContact CG2-CZ2 4.42Å; I191-W261 HydrophobicContact CG2-CZ3 3.73Å; F219-W261 CarbonylContact C-O 3.56Å; F219-W261 WeakPolarHBondContact CA-O 3.24Å; F219-W261 WeakPolarHBondContact CB-O 3.47Å; C220-W261 HydrophobicContact CB-CB 4.28Å; C220-W261 PolarHBondContact N-O 3.43Å; C220-W261 PolarHBondContact O-N 2.94Å; F222-W261 HydrophobicContact CE2-CB 3.83Å; F222-W261 AromaticContact CE2-CD2 3.87Å; F222-W261 HydrophobicContact CE2-CD2 3.87Å; F222-W261 HydrophobicContact CE2-CE3 4.25Å; F222-W261 AromaticContact CE2-CG 3.67Å; F222-W261 HydrophobicContact CE2-CG 3.67Å; F222-W261 AromaticContact CZ-CD2 3.94Å; F222-W261 HydrophobicContact CZ-CD2 3.94Å; F222-W261 AromaticContact CZ-CE3 3.89Å; F222-W261 HydrophobicContact CZ-CE3 3.89Å; F222-W261 HydrophobicContact CZ-CG 4.22Å; W261-N265 HydrophobicContact CB-CB 4.35Å; W261-N265 HydrophobicContact CG-CB 4.5Å; W261-Y269 HydrophobicContact CH2-CD2 4.08Å; W261-Y269 HydrophobicContact CH2-CG 4.33Å; W261-Y269 HydrophobicContact CZ3-CD1 4.44Å; W261-Y269 HydrophobicContact CZ3-CD2 4.18Å; W261-Y269 AromaticContact CZ3-CG 3.95Å; W261-Y269 HydrophobicContact CZ3-CG 3.95Å
262T93.1Very high82.8Confident58 Ų5866.6 Ų66.636%0.35635%0.349SS..EExtended strand (participates in β ladder)trans-66.7153.6166.862.70000109.6G218 S264 N265 L266G218-T262 WeakPolarHBondContact O-CA 3.26Å; T262-S264 PolarHBondContact O-N 3.49Å; T262-N265 PolarHBondContact O-N 2.64Å; T262-N265 VanDerWaalsContact O-N 3.12Å; T262-N265 WeakPolarHBondContact OG1-CB 3.4Å; T262-N265 PolarHBondContact OG1-N 2.69Å; T262-N265 VanDerWaalsContact OG1-N 3.1Å; T262-N265 PolarHBondContact OG1-OD1 2.88Å; T262-L266 PolarHBondContact O-N 3.11Å
263V94.6Very high84.5Confident12 Ų1264.1 Ų64.17%0.07334%0.337CS..Hα-helixtrans-59.7-33.1172.3167.70000111.2L200 G218 N265 L266 R267 F283L200-V263 HydrophobicContact CD2-CG2 3.66Å; G218-V263 VanDerWaalsContact C-CG2 3.41Å; G218-V263 PolarHBondContact O-N 3.46Å; V263-N265 PolarHBondContact O-N 3.42Å; V263-L266 PolarHBondContact O-N 2.9Å; V263-R267 WeakPolarHBondContact O-CB 3.38Å; V263-R267 PolarHBondContact O-N 3.35Å; V263-F283 HydrophobicContact CG1-CE1 3.62Å; V263-F283 HydrophobicContact CG1-CZ 3.96Å
264S93.9Very high86.3Confident65 Ų6569.9 Ų69.946%0.45536%0.359SS..Hα-helixtrans-60.6-42.5173.3-50.10000112.5T262 R267 L268T262-S264 PolarHBondContact O-N 3.49Å; S264-R267 PolarHBondContact O-N 2.95Å; S264-L268 WeakPolarHBondContact O-CB 3.31Å; S264-L268 PolarHBondContact O-N 2.84Å
265N95Very high88Confident82 Ų8267.5 Ų67.544%0.43935%0.353SS..Hα-helixtrans-67.9-39.9176.3-72.72.7000111.6W261 T262 V263 R267 L268 Y269W261-N265 HydrophobicContact CB-CB 4.35Å; W261-N265 HydrophobicContact CG-CB 4.5Å; T262-N265 PolarHBondContact O-N 2.64Å; T262-N265 VanDerWaalsContact O-N 3.12Å; T262-N265 WeakPolarHBondContact OG1-CB 3.4Å; T262-N265 PolarHBondContact OG1-N 2.69Å; T262-N265 VanDerWaalsContact OG1-N 3.1Å; T262-N265 PolarHBondContact OG1-OD1 2.88Å; V263-N265 PolarHBondContact O-N 3.42Å; N265-R267 VanDerWaalsContact C-N 3.33Å; N265-R267 PolarHBondContact O-N 2.95Å; N265-L268 PolarHBondContact O-N 3.27Å; N265-Y269 WeakPolarHBondContact O-CB 3.24Å; N265-Y269 PolarHBondContact O-N 3.31Å
266L95.9Very high89.8Confident0 Ų066.1 Ų66.10%035%0.345CS..Hα-helixtrans-59-46.9172.9174.668.1000110.8I191 F196 L198 C220 T262 V263 Y269 L270 I317I191-L266 HydrophobicContact CD1-CD1 3.7Å; F196-L266 HydrophobicContact CE2-CD1 3.97Å; F196-L266 HydrophobicContact CE2-CD2 4.05Å; F196-L266 HydrophobicContact CZ-CD1 3.79Å; L198-L266 HydrophobicContact CD1-CD2 4.36Å; L198-L266 HydrophobicContact CD2-CD2 3.64Å; L198-L266 HydrophobicContact CG-CD2 4.06Å; C220-L266 VanDerWaalsContact SG-CD2 3.6Å; T262-L266 PolarHBondContact O-N 3.11Å; V263-L266 PolarHBondContact O-N 2.9Å; L266-Y269 PolarHBondContact O-N 2.84Å; L266-L270 HydrophobicContact CD1-CD1 3.95Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CD2-CD1 4.43Å; L266-L270 HydrophobicContact CG-CD1 3.9Å; L266-L270 HydrophobicContact CG-CG 4.42Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.44Å; L266-I317 HydrophobicContact CD2-CD1 4.33Å
267R96.3Very high91.6Very high104 Ų10466.8 Ų66.839%0.39234%0.341SS..Hα-helixtrans-59.3-51178.5-175.8176.8-177.717312110.8V263 S264 N265 Y269 L270 E271 T279 N280 F283V263-R267 WeakPolarHBondContact O-CB 3.38Å; V263-R267 PolarHBondContact O-N 3.35Å; S264-R267 PolarHBondContact O-N 2.95Å; N265-R267 VanDerWaalsContact C-N 3.33Å; N265-R267 PolarHBondContact O-N 2.95Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 3.47Å; R267-L270 PolarHBondContact O-N 2.84Å; R267-L270 VanDerWaalsContact O-N 3.17Å; R267-E271 HydrophobicContact CG-CG 4.24Å; R267-E271 WeakPolarHBondContact CG-OE1 3.23Å; R267-E271 IonicContact CZ-OE1 2.65Å; R267-E271 IonicContact NE-OE1 3.06Å; R267-E271 PolarHBondContact NE-OE1 2.7Å; R267-E271 IonicContact NH2-OE1 2.72Å; R267-E271 VanDerWaalsContact O-CG 3.3Å; R267-E271 WeakPolarHBondContact O-CG 3.23Å; R267-E271 PolarHBondContact O-N 3.26Å; R267-T279 HydrophobicContact CG-CG2 3.87Å; R267-N280 PolarHBondContact NH2-OD1 2.81Å; R267-F283 HydrophobicContact CB-CE2 3.81Å; R267-F283 HydrophobicContact CB-CZ 3.96Å; R267-F283 HydrophobicContact CG-CD2 4.44Å; R267-F283 HydrophobicContact CG-CE2 3.85Å; R267-F283 HydrophobicContact CG-CZ 4.43Å
268L96.6Very high93.2Very high114 Ų11463.4 Ų63.460%0.59733%0.328SS*.Hα-helixtrans-57.4-44.1178-177.963.7000111.9S264 N265 E271 S272S264-L268 WeakPolarHBondContact O-CB 3.31Å; S264-L268 PolarHBondContact O-N 2.84Å; N265-L268 PolarHBondContact O-N 3.27Å; L268-E271 PolarHBondContact O-N 2.89Å; L268-S272 WeakPolarHBondContact O-CB 3.29Å; L268-S272 PolarHBondContact O-N 3.46Å; L268-S272 PolarHBondContact O-OG 3.3Å
269Y96.6Very high94.7Very high80 Ų8063.2 Ų63.231%0.31433%0.326SS..Hα-helixtrans-59.8-47.4176176.8-94.5000111.7I191 W261 N265 L266 R267 S272 T273I191-Y269 HydrophobicContact CD1-CD1 3.86Å; I191-Y269 HydrophobicContact CD1-CE1 3.88Å; I191-Y269 HydrophobicContact CG1-CD1 4.31Å; I191-Y269 HydrophobicContact CG1-CE1 3.8Å; I191-Y269 HydrophobicContact CG2-CE1 4.18Å; I191-Y269 HydrophobicContact CG2-CE2 4.22Å; W261-Y269 HydrophobicContact CH2-CD2 4.08Å; W261-Y269 HydrophobicContact CH2-CG 4.33Å; W261-Y269 HydrophobicContact CZ3-CD1 4.44Å; W261-Y269 HydrophobicContact CZ3-CD2 4.18Å; W261-Y269 AromaticContact CZ3-CG 3.95Å; W261-Y269 HydrophobicContact CZ3-CG 3.95Å; N265-Y269 WeakPolarHBondContact O-CB 3.24Å; N265-Y269 PolarHBondContact O-N 3.31Å; L266-Y269 PolarHBondContact O-N 2.84Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 3.47Å; Y269-S272 PolarHBondContact O-N 3.03Å; Y269-S272 PolarHBondContact O-OG 3.09Å; Y269-T273 HydrophobicContact CD2-CG2 4.29Å; Y269-T273 HydrophobicContact CE1-CG2 4.29Å; Y269-T273 HydrophobicContact CE2-CG2 3.95Å; Y269-T273 WeakPolarHBondContact O-CB 3.34Å; Y269-T273 WeakPolarHBondContact O-CG2 3.46Å; Y269-T273 PolarHBondContact O-N 3.17Å; Y269-T273 PolarHBondContact O-OG1 2.99Å
270L96.8Very high95.6Very high1 Ų164.1 Ų64.11%0.00532%0.324CS..Hα-helixtrans-66.5-39.8178.7-70.2172.9000112.4L189 L266 R267 S272 T273 R274 G275 T279 L282 L321L189-L270 HydrophobicContact CD2-CD2 4.03Å; L266-L270 HydrophobicContact CD1-CD1 3.95Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CD2-CD1 4.43Å; L266-L270 HydrophobicContact CG-CD1 3.9Å; L266-L270 HydrophobicContact CG-CG 4.42Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.44Å; R267-L270 PolarHBondContact O-N 2.84Å; R267-L270 VanDerWaalsContact O-N 3.17Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.34Å; L270-T273 PolarHBondContact O-N 3.44Å; L270-R274 HydrophobicContact CD2-CG 4.34Å; L270-R274 WeakPolarHBondContact O-CA 3.49Å; L270-R274 WeakPolarHBondContact O-CB 3.11Å; L270-R274 PolarHBondContact O-N 3.28Å; L270-G275 PolarHBondContact O-N 3.47Å; L270-T279 HydrophobicContact CB-CG2 3.74Å; L270-T279 WeakPolarHBondContact CB-OG1 3.49Å; L270-T279 HydrophobicContact CD1-CG2 4.37Å; L270-T279 PolarHBondContact O-OG1 3.01Å; L270-L282 HydrophobicContact CD1-CD2 3.59Å; L270-L321 HydrophobicContact CD2-CD2 4.22Å
271E97.4Very high96Very high54 Ų5469.6 Ų69.625%0.25234%0.344SS..Hα-helixtrans-61.9-43.1176.2-70.1-178.8175.800110.7R267 L268 G275 T279R267-E271 HydrophobicContact CG-CG 4.24Å; R267-E271 WeakPolarHBondContact CG-OE1 3.23Å; R267-E271 IonicContact CZ-OE1 2.65Å; R267-E271 IonicContact NE-OE1 3.06Å; R267-E271 PolarHBondContact NE-OE1 2.7Å; R267-E271 IonicContact NH2-OE1 2.72Å; R267-E271 VanDerWaalsContact O-CG 3.3Å; R267-E271 WeakPolarHBondContact O-CG 3.23Å; R267-E271 PolarHBondContact O-N 3.26Å; L268-E271 PolarHBondContact O-N 2.89Å; E271-G275 CarbonylContact O-C 3.6Å; E271-G275 VanDerWaalsContact O-CA 3.22Å; E271-G275 WeakPolarHBondContact O-CA 3.21Å; E271-G275 PolarHBondContact O-N 2.91Å; E271-T279 HydrophobicContact CG-CG2 3.82Å; E271-T279 PolarHBondContact N-OG1 3.26Å
272S96.9Very high96.3Very high92 Ų9265.6 Ų65.664%0.64333%0.329SS*.Hα-helixtrans-70.2-30.2178.869.70000114.3L268 Y269 L270L268-S272 WeakPolarHBondContact O-CB 3.29Å; L268-S272 PolarHBondContact O-N 3.46Å; L268-S272 PolarHBondContact O-OG 3.3Å; Y269-S272 PolarHBondContact O-N 3.03Å; Y269-S272 PolarHBondContact O-OG 3.09Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.34Å
273T96.1Very high96.5Very high66 Ų6663.9 Ų63.941%0.40532%0.317SS..Hα-helixtrans-102.5-26.8-173.455.40000114.2Y269 L270Y269-T273 HydrophobicContact CD2-CG2 4.29Å; Y269-T273 HydrophobicContact CE1-CG2 4.29Å; Y269-T273 HydrophobicContact CE2-CG2 3.95Å; Y269-T273 WeakPolarHBondContact O-CB 3.34Å; Y269-T273 WeakPolarHBondContact O-CG2 3.46Å; Y269-T273 PolarHBondContact O-N 3.17Å; Y269-T273 PolarHBondContact O-OG1 2.99Å; L270-T273 PolarHBondContact O-N 3.44Å
274R95.4Very high96.7Very high144 Ų14468 Ų6854%0.54334%0.339SS..Hα-helixtrans-123.7-12.4-175.1-54.7-60.8-171.2-175.64.1113.6L270 V278 L321L270-R274 HydrophobicContact CD2-CG 4.34Å; L270-R274 WeakPolarHBondContact O-CA 3.49Å; L270-R274 WeakPolarHBondContact O-CB 3.11Å; L270-R274 PolarHBondContact O-N 3.28Å; R274-V278 HydrophobicContact CB-CB 4.47Å; R274-V278 HydrophobicContact CB-CG1 4.29Å; R274-V278 WeakPolarHBondContact O-CG2 3.31Å; R274-L321 HydrophobicContact CB-CD1 4.45Å; R274-L321 HydrophobicContact CG-CD1 4.2Å
275G97.2Very high96.9Very high27 Ų2769.2 Ų69.228%0.27834%0.337SS..  trans95.3157.5-176.800000113.7L270 E271 T279L270-G275 PolarHBondContact O-N 3.47Å; E271-G275 CarbonylContact O-C 3.6Å; E271-G275 VanDerWaalsContact O-CA 3.22Å; E271-G275 WeakPolarHBondContact O-CA 3.21Å; E271-G275 PolarHBondContact O-N 2.91Å; G275-T279 PolarHBondContact O-N 2.82Å; G275-T279 PolarHBondContact O-OG1 2.87Å
276K96.7Very high97Very high121 Ų12165.3 Ų65.353%0.52632%0.316SS..Hα-helixtrans-68.6-41.8-172.6-172.4176.5-178.1177.60112.8T279 N280K276-T279 PolarHBondContact O-N 3.44Å; K276-N280 WeakPolarHBondContact O-CB 3.34Å; K276-N280 PolarHBondContact O-N 2.9Å; K276-N280 PolarHBondContact O-ND2 2.96Å
277E97.3Very high97.1Very high122 Ų12267.4 Ų67.457%0.5733%0.326SS*.Hα-helixtrans-66.7-42.8-176.6-64.767.1-147.500111.1T279 R281E277-T279 VanDerWaalsContact C-N 3.34Å; E277-R281 WeakPolarHBondContact O-CG 3.43Å; E277-R281 PolarHBondContact O-N 3.02Å
278V97.1Very high97.2Very high43 Ų4364.4 Ų64.426%0.26132%0.315SS..Hα-helixtrans-62.8-45.2176.4179.40000110.1R274 R281 L282 L321R274-V278 HydrophobicContact CB-CB 4.47Å; R274-V278 HydrophobicContact CB-CG1 4.29Å; R274-V278 WeakPolarHBondContact O-CG2 3.31Å; V278-R281 PolarHBondContact O-N 3.34Å; V278-L282 PolarHBondContact O-N 3.22Å; V278-L282 VanDerWaalsContact O-N 3.12Å; V278-L321 HydrophobicContact CG1-CD1 3.33Å
279T97.3Very high97.3Very high1 Ų159.1 Ų59.11%0.00629%0.287CS..Hα-helixtrans-63.8-46.1179.6-55.80000111.5R267 L270 E271 G275 K276 E277 R281 L282 F283R267-T279 HydrophobicContact CG-CG2 3.87Å; L270-T279 HydrophobicContact CB-CG2 3.74Å; L270-T279 WeakPolarHBondContact CB-OG1 3.49Å; L270-T279 HydrophobicContact CD1-CG2 4.37Å; L270-T279 PolarHBondContact O-OG1 3.01Å; E271-T279 HydrophobicContact CG-CG2 3.82Å; E271-T279 PolarHBondContact N-OG1 3.26Å; G275-T279 PolarHBondContact O-N 2.82Å; G275-T279 PolarHBondContact O-OG1 2.87Å; K276-T279 PolarHBondContact O-N 3.44Å; E277-T279 VanDerWaalsContact C-N 3.34Å; T279-R281 VanDerWaalsContact C-N 3.34Å; T279-R281 PolarHBondContact O-N 3.41Å; T279-L282 WeakPolarHBondContact O-CB 3.4Å; T279-L282 PolarHBondContact O-N 2.97Å; T279-F283 HydrophobicContact CG2-CD2 3.84Å; T279-F283 HydrophobicContact CG2-CE2 3.73Å; T279-F283 VanDerWaalsContact O-CD2 3.31Å; T279-F283 WeakPolarHBondContact O-CD2 2.9Å; T279-F283 PolarHBondContact O-N 3.2Å; T279-F283 VanDerWaalsContact O-N 3.11Å
280N97.3Very high97.3Very high47 Ų4755.3 Ų55.325%0.25127%0.272SS..Hα-helixtrans-58.1-45.9176.4-71.4-19.7000111.5R267 K276 L282 F283 D284R267-N280 PolarHBondContact NH2-OD1 2.81Å; K276-N280 WeakPolarHBondContact O-CB 3.34Å; K276-N280 PolarHBondContact O-N 2.9Å; K276-N280 PolarHBondContact O-ND2 2.96Å; N280-L282 VanDerWaalsContact C-N 3.31Å; N280-L282 PolarHBondContact O-N 2.77Å; N280-F283 PolarHBondContact O-N 2.81Å; N280-F283 VanDerWaalsContact O-N 3.12Å; N280-D284 VanDerWaalsContact O-CG 3.23Å; N280-D284 PolarHBondContact O-N 3.12Å
281R97.8Very high97.4Very high142 Ų14255.6 Ų55.654%0.53627%0.274SS..Hα-helixtrans-58.3-40.6177.2-74.9-167.4-59.3-94.36.1113E277 V278 T279 D284 Q285E277-R281 WeakPolarHBondContact O-CG 3.43Å; E277-R281 PolarHBondContact O-N 3.02Å; V278-R281 PolarHBondContact O-N 3.34Å; T279-R281 VanDerWaalsContact C-N 3.34Å; T279-R281 PolarHBondContact O-N 3.41Å; R281-D284 PolarHBondContact O-N 2.9Å; R281-Q285 VanDerWaalsContact O-CG 3.32Å; R281-Q285 WeakPolarHBondContact O-CG 3.46Å; R281-Q285 PolarHBondContact O-N 2.91Å
282L97.9Very high97.4Very high3 Ų353 Ų532%0.01626%0.262CS..Hα-helixtrans-62.1-45.4175.7162.366.3000111.5L270 V278 T279 N280 D284 Q285 I286 I317 L321 P323L270-L282 HydrophobicContact CD1-CD2 3.59Å; V278-L282 PolarHBondContact O-N 3.22Å; V278-L282 VanDerWaalsContact O-N 3.12Å; T279-L282 WeakPolarHBondContact O-CB 3.4Å; T279-L282 PolarHBondContact O-N 2.97Å; N280-L282 VanDerWaalsContact C-N 3.31Å; N280-L282 PolarHBondContact O-N 2.77Å; L282-D284 VanDerWaalsContact C-N 3.34Å; L282-Q285 WeakPolarHBondContact O-CB 3.15Å; L282-Q285 PolarHBondContact O-N 2.84Å; L282-I286 HydrophobicContact CD1-CD1 4.18Å; L282-I286 HydrophobicContact CD1-CG1 4.44Å; L282-I286 HydrophobicContact CG-CD1 4.34Å; L282-I286 WeakPolarHBondContact O-CG1 3.46Å; L282-I286 PolarHBondContact O-N 2.93Å; L282-I317 HydrophobicContact CD1-CD1 4.05Å; L282-I317 HydrophobicContact CD1-CG1 4.13Å; L282-I317 HydrophobicContact CD1-CG2 4.07Å; L282-I317 HydrophobicContact CD2-CD1 3.85Å; L282-I317 HydrophobicContact CD2-CG2 4.45Å; L282-I317 HydrophobicContact CG-CD1 4.41Å; L282-L321 WeakPolarHBondContact CD1-O 3.29Å; L282-L321 HydrophobicContact CD2-CD2 4.5Å; L282-P323 HydrophobicContact CD1-CB 4.12Å; L282-P323 HydrophobicContact CD1-CG 4.02Å
283F97.6Very high97.5Very high21 Ų2148.7 Ų48.79%0.09223%0.231CC..Hα-helixtrans-67.8-34.5177.6-80.4-79.8000112.4V263 R267 T279 N280 Q285 I286 H287V263-F283 HydrophobicContact CG1-CE1 3.62Å; V263-F283 HydrophobicContact CG1-CZ 3.96Å; R267-F283 HydrophobicContact CB-CE2 3.81Å; R267-F283 HydrophobicContact CB-CZ 3.96Å; R267-F283 HydrophobicContact CG-CD2 4.44Å; R267-F283 HydrophobicContact CG-CE2 3.85Å; R267-F283 HydrophobicContact CG-CZ 4.43Å; T279-F283 HydrophobicContact CG2-CD2 3.84Å; T279-F283 HydrophobicContact CG2-CE2 3.73Å; T279-F283 VanDerWaalsContact O-CD2 3.31Å; T279-F283 WeakPolarHBondContact O-CD2 2.9Å; T279-F283 PolarHBondContact O-N 3.2Å; T279-F283 VanDerWaalsContact O-N 3.11Å; N280-F283 PolarHBondContact O-N 2.81Å; N280-F283 VanDerWaalsContact O-N 3.12Å; F283-Q285 VanDerWaalsContact C-N 3.34Å; F283-I286 HydrophobicContact CD1-CD1 4.25Å; F283-I286 HydrophobicContact CE1-CD1 4.48Å; F283-I286 WeakPolarHBondContact O-CB 3.15Å; F283-I286 PolarHBondContact O-N 3.19Å; F283-H287 VanDerWaalsContact O-CG 3.29Å; F283-H287 PolarHBondContact O-N 3.07Å; F283-H287 PolarHBondContact O-ND1 3.32Å
284D97.4Very high97.6Very high100 Ų10045.5 Ų45.554%0.53521%0.212SC..Hα-helixtrans-63.7-40.2172-65.4-25.2000111.4N280 R281 L282 H287 W288N280-D284 VanDerWaalsContact O-CG 3.23Å; N280-D284 PolarHBondContact O-N 3.12Å; R281-D284 PolarHBondContact O-N 2.9Å; L282-D284 VanDerWaalsContact C-N 3.34Å; D284-H287 PolarHBondContact O-N 3.37Å; D284-W288 WeakPolarHBondContact O-CB 3.26Å; D284-W288 PolarHBondContact O-N 3.38Å
285Q97.9Very high97.7Very high90 Ų9040.8 Ų40.842%0.42120%0.195SC..Hα-helixtrans-63.8-39.4172.5-73.6175.5-16.700111.8R281 L282 F283 W288 I289 P323R281-Q285 VanDerWaalsContact O-CG 3.32Å; R281-Q285 WeakPolarHBondContact O-CG 3.46Å; R281-Q285 PolarHBondContact O-N 2.91Å; L282-Q285 WeakPolarHBondContact O-CB 3.15Å; L282-Q285 PolarHBondContact O-N 2.84Å; F283-Q285 VanDerWaalsContact C-N 3.34Å; Q285-W288 WeakPolarHBondContact O-CB 3.23Å; Q285-W288 PolarHBondContact O-N 2.8Å; Q285-I289 VanDerWaalsContact O-CG1 3.24Å; Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 3.29Å; Q285-P323 HydrophobicContact CB-CG 3.62Å; Q285-P323 VanDerWaalsContact OE1-CD 3.25Å
286I98.3Very high97.7Very high0 Ų039.6 Ų39.60%018%0.183CC..Hα-helixtrans-61.2-47174.3-73.6169.4000111L198 L200 L282 F283 W288 I289 V290 I315 P323L198-I286 HydrophobicContact CD2-CD1 4.17Å; L200-I286 HydrophobicContact CD1-CG2 3.47Å; L200-I286 VanDerWaalsContact CD1-CG2 3.47Å; L282-I286 HydrophobicContact CD1-CD1 4.18Å; L282-I286 HydrophobicContact CD1-CG1 4.44Å; L282-I286 HydrophobicContact CG-CD1 4.34Å; L282-I286 WeakPolarHBondContact O-CG1 3.46Å; L282-I286 PolarHBondContact O-N 2.93Å; F283-I286 HydrophobicContact CD1-CD1 4.25Å; F283-I286 HydrophobicContact CE1-CD1 4.48Å; F283-I286 WeakPolarHBondContact O-CB 3.15Å; F283-I286 PolarHBondContact O-N 3.19Å; I286-W288 VanDerWaalsContact C-N 3.32Å; I286-W288 PolarHBondContact O-N 3.23Å; I286-I289 WeakPolarHBondContact O-CB 3.36Å; I286-I289 PolarHBondContact O-N 3.11Å; I286-V290 WeakPolarHBondContact O-CG2 3.49Å; I286-V290 PolarHBondContact O-N 2.87Å; I286-V290 VanDerWaalsContact O-N 3.13Å; I286-I315 HydrophobicContact CB-CD1 4.39Å; I286-I315 HydrophobicContact CG1-CD1 4.26Å; I286-I315 HydrophobicContact CG1-CG2 4.46Å; I286-I315 HydrophobicContact CG2-CD1 3.7Å; I286-P323 HydrophobicContact CD1-CB 4.48Å; I286-P323 HydrophobicContact CG1-CB 3.65Å; I286-P323 HydrophobicContact CG1-CG 3.98Å
287H97.9Very high97.7Very high43 Ų4333.8 Ų33.820%0.19916%0.158CC..Hα-helixtrans-58.5-44.9175.5-69.1153.7000111.7F283 D284 I289 V290 V291 L382F283-H287 VanDerWaalsContact O-CG 3.29Å; F283-H287 PolarHBondContact O-N 3.07Å; F283-H287 PolarHBondContact O-ND1 3.32Å; D284-H287 PolarHBondContact O-N 3.37Å; H287-I289 PolarHBondContact O-N 3.37Å; H287-V290 PolarHBondContact O-N 3Å; H287-V291 WeakPolarHBondContact O-CG2 3.28Å; H287-V291 PolarHBondContact O-N 3.38Å; H287-L382 HydrophobicContact CB-CD1 3.66Å
288W97.4Very high97.7Very high41 Ų4128.6 Ų28.616%0.15514%0.136CC..Hα-helixtrans-57.2-47.1175.7174-95000112L95 Y106 D284 Q285 I286 V290 V291 Q292 W423L95-W288 HydrophobicContact CD1-CH2 3.99Å; L95-W288 HydrophobicContact CD1-CZ2 4.49Å; L95-W288 HydrophobicContact CD2-CH2 3.48Å; L95-W288 VanDerWaalsContact CD2-CH2 3.48Å; L95-W288 HydrophobicContact CD2-CZ2 3.99Å; L95-W288 HydrophobicContact CG-CH2 4.33Å; Y106-W288 PolarHBondContact O-NE1 3.46Å; D284-W288 WeakPolarHBondContact O-CB 3.26Å; D284-W288 PolarHBondContact O-N 3.38Å; Q285-W288 WeakPolarHBondContact O-CB 3.23Å; Q285-W288 PolarHBondContact O-N 2.8Å; I286-W288 VanDerWaalsContact C-N 3.32Å; I286-W288 PolarHBondContact O-N 3.23Å; W288-V290 VanDerWaalsContact C-N 3.32Å; W288-V290 PolarHBondContact O-N 3.1Å; W288-V291 PolarHBondContact O-N 2.97Å; W288-Q292 HydrophobicContact CD2-CG 3.84Å; W288-Q292 VanDerWaalsContact CE2-CG 3.46Å; W288-Q292 HydrophobicContact CE3-CG 4.39Å; W288-Q292 HydrophobicContact CG-CG 4.22Å; W288-Q292 HydrophobicContact CH2-CG 4.29Å; W288-Q292 VanDerWaalsContact CH2-NE2 3.3Å; W288-Q292 HydrophobicContact CZ2-CG 3.7Å; W288-Q292 WeakPolarHBondContact O-CB 3.32Å; W288-Q292 VanDerWaalsContact O-CG 3.27Å; W288-Q292 WeakPolarHBondContact O-CG 3.48Å; W288-Q292 PolarHBondContact O-N 2.8Å; W288-W423 AromaticContact CE3-CD1 3.88Å; W288-W423 AromaticContact CE3-CE2 3.48Å; W288-W423 VanDerWaalsContact CE3-CE2 3.48Å; W288-W423 AromaticContact CE3-CZ2 3.7Å; W288-W423 HydrophobicContact CE3-CZ2 3.7Å; W288-W423 AromaticContact CE3-NE1 2.95Å; W288-W423 HydrophobicContact CH2-CZ2 4.3Å; W288-W423 AromaticContact CZ3-CE2 3.31Å; W288-W423 AromaticContact CZ3-CZ2 3.27Å; W288-W423 HydrophobicContact CZ3-CZ2 3.27Å; W288-W423 AromaticContact CZ3-NE1 2.88Å
289I98.2Very high97.6Very high4 Ų430 Ų302%0.02115%0.145CC..Hα-helixtrans-55.7-47.4176.7-71.4177000111.5F109 Q285 I286 H287 S293 P323 L325F109-I289 HydrophobicContact CB-CB 4.47Å; F109-I289 HydrophobicContact CB-CD1 3.59Å; F109-I289 HydrophobicContact CB-CG1 3.43Å; F109-I289 VanDerWaalsContact CB-CG1 3.43Å; F109-I289 HydrophobicContact CB-CG2 4.44Å; F109-I289 HydrophobicContact CD1-CG1 4.43Å; F109-I289 HydrophobicContact CD2-CG1 4.29Å; F109-I289 HydrophobicContact CD2-CG2 3.93Å; F109-I289 HydrophobicContact CG-CB 4.48Å; F109-I289 HydrophobicContact CG-CD1 4.46Å; F109-I289 HydrophobicContact CG-CG1 3.84Å; F109-I289 HydrophobicContact CG-CG2 4.34Å; Q285-I289 VanDerWaalsContact O-CG1 3.24Å; Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 3.29Å; I286-I289 WeakPolarHBondContact O-CB 3.36Å; I286-I289 PolarHBondContact O-N 3.11Å; H287-I289 PolarHBondContact O-N 3.37Å; I289-S293 VanDerWaalsContact O-CB 3.26Å; I289-S293 WeakPolarHBondContact O-CB 3.38Å; I289-S293 PolarHBondContact O-N 2.79Å; I289-S293 PolarHBondContact O-OG 2.8Å; I289-P323 HydrophobicContact CD1-CB 3.78Å; I289-P323 HydrophobicContact CD1-CG 3.65Å; I289-P323 WeakPolarHBondContact CD1-O 3.49Å; I289-L325 HydrophobicContact CG2-CB 3.75Å; I289-L325 HydrophobicContact CG2-CD2 4.25Å; I289-L325 HydrophobicContact CG2-CG 4.42Å
290V98.4Very high97.5Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-60-53.2-179.91730000109.9V202 I286 H287 W288 Q292 S293 L294 Y313 L382V202-V290 HydrophobicContact CB-CG1 4.32Å; V202-V290 HydrophobicContact CG1-CG1 3.8Å; V202-V290 HydrophobicContact CG2-CG1 3.62Å; V202-V290 HydrophobicContact CG2-CG2 4.21Å; I286-V290 WeakPolarHBondContact O-CG2 3.49Å; I286-V290 PolarHBondContact O-N 2.87Å; I286-V290 VanDerWaalsContact O-N 3.13Å; H287-V290 PolarHBondContact O-N 3Å; W288-V290 VanDerWaalsContact C-N 3.32Å; W288-V290 PolarHBondContact O-N 3.1Å; V290-Q292 PolarHBondContact O-N 3.17Å; V290-S293 PolarHBondContact O-N 2.92Å; V290-S293 PolarHBondContact O-OG 3.36Å; V290-L294 HydrophobicContact CG1-CD1 4.09Å; V290-L294 WeakPolarHBondContact O-CG 3.4Å; V290-L294 PolarHBondContact O-N 3.44Å; V290-Y313 HydrophobicContact CB-CE1 4.34Å; V290-Y313 HydrophobicContact CG1-CE1 4.31Å; V290-Y313 HydrophobicContact CG1-CE2 4.33Å; V290-Y313 HydrophobicContact CG2-CD1 3.86Å; V290-Y313 HydrophobicContact CG2-CE1 4Å; V290-Y313 HydrophobicContact CG2-CG 4.25Å; V290-L382 HydrophobicContact CB-CD2 3.86Å; V290-L382 HydrophobicContact CG1-CD2 3.39Å
291V98.2Very high97.5Very high7 Ų729.8 Ų29.84%0.04215%0.146CC..Hα-helixtrans-60.3-47.3-178.6175.70000111.6H287 W288 S293 L294 K295 L382 Y383H287-V291 WeakPolarHBondContact O-CG2 3.28Å; H287-V291 PolarHBondContact O-N 3.38Å; W288-V291 PolarHBondContact O-N 2.97Å; V291-S293 VanDerWaalsContact C-N 3.33Å; V291-S293 PolarHBondContact O-N 3.31Å; V291-L294 PolarHBondContact O-N 3.08Å; V291-K295 HydrophobicContact CG1-CD 4.23Å; V291-K295 HydrophobicContact CG1-CG 4.41Å; V291-K295 WeakPolarHBondContact O-CG 3.49Å; V291-K295 PolarHBondContact O-N 2.81Å; V291-L382 HydrophobicContact CG2-CD1 4.36Å; V291-L382 HydrophobicContact CG2-CD2 3.93Å; V291-L382 HydrophobicContact CG2-CG 3.73Å; V291-Y383 HydrophobicContact CG1-CD1 4.43Å; V291-Y383 HydrophobicContact CG1-CD2 4.12Å; V291-Y383 HydrophobicContact CG1-CG 3.99Å
292Q98Very high97.2Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-67-34.6-179.1-62.8-52.3-39.800112.4Y84 L107 F109 W288 V290 L294 A296Y84-Q292 PolarHBondContact OH-OE1 3.31Å; L107-Q292 HydrophobicContact CD2-CB 4.21Å; L107-Q292 HydrophobicContact CD2-CG 4.06Å; F109-Q292 HydrophobicContact CE1-CB 3.85Å; F109-Q292 HydrophobicContact CZ-CB 3.92Å; W288-Q292 HydrophobicContact CD2-CG 3.84Å; W288-Q292 VanDerWaalsContact CE2-CG 3.46Å; W288-Q292 HydrophobicContact CE3-CG 4.39Å; W288-Q292 HydrophobicContact CG-CG 4.22Å; W288-Q292 HydrophobicContact CH2-CG 4.29Å; W288-Q292 VanDerWaalsContact CH2-NE2 3.3Å; W288-Q292 HydrophobicContact CZ2-CG 3.7Å; W288-Q292 WeakPolarHBondContact O-CB 3.32Å; W288-Q292 VanDerWaalsContact O-CG 3.27Å; W288-Q292 WeakPolarHBondContact O-CG 3.48Å; W288-Q292 PolarHBondContact O-N 2.8Å; V290-Q292 PolarHBondContact O-N 3.17Å; Q292-L294 VanDerWaalsContact C-N 3.35Å; Q292-A296 WeakPolarHBondContact O-CB 3.42Å; Q292-A296 PolarHBondContact O-N 2.88Å
293S98.3Very high96.8Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-65.1-38.1174.273.40000112.4I289 V290 V291 Y313I289-S293 VanDerWaalsContact O-CB 3.26Å; I289-S293 WeakPolarHBondContact O-CB 3.38Å; I289-S293 PolarHBondContact O-N 2.79Å; I289-S293 PolarHBondContact O-OG 2.8Å; V290-S293 PolarHBondContact O-N 2.92Å; V290-S293 PolarHBondContact O-OG 3.36Å; V291-S293 VanDerWaalsContact C-N 3.33Å; V291-S293 PolarHBondContact O-N 3.31Å; S293-Y313 WeakPolarHBondContact OG-CE1 3.15Å; S293-Y313 PolarHBondContact OG-OH 3.02Å
294L98.4Very high96.4Very high0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-70.4-44.6176.3-67.9172.3000111.3L71 V202 V204 Y207 L210 C212 V290 V291 Q292 A296 V297 A298 Y311 Y313L71-L294 HydrophobicContact CD2-CD2 3.68Å; V202-L294 HydrophobicContact CG1-CD1 4.19Å; V204-L294 HydrophobicContact CG2-CD1 3.89Å; V204-L294 HydrophobicContact CG2-CD2 3.79Å; Y207-L294 HydrophobicContact CE1-CB 4.46Å; Y207-L294 HydrophobicContact CE1-CD2 4.01Å; Y207-L294 WeakPolarHBondContact OH-CD2 3.36Å; L210-L294 HydrophobicContact CD1-CB 4.28Å; L210-L294 HydrophobicContact CD2-CB 4.05Å; C212-L294 HydrophobicContact CB-CD1 3.68Å; V290-L294 HydrophobicContact CG1-CD1 4.09Å; V290-L294 WeakPolarHBondContact O-CG 3.4Å; V290-L294 PolarHBondContact O-N 3.44Å; V291-L294 PolarHBondContact O-N 3.08Å; Q292-L294 VanDerWaalsContact C-N 3.35Å; L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.01Å; L294-V297 PolarHBondContact O-N 2.97Å; L294-V297 VanDerWaalsContact O-N 3.08Å; L294-A298 PolarHBondContact O-N 3.2Å; L294-Y311 HydrophobicContact CD2-CE2 4.38Å; L294-Y313 WeakPolarHBondContact CD2-OH 3.4Å; L294-Y313 WeakPolarHBondContact CG-OH 3.49Å
295K97.4Very high96.1Very high45 Ų4530 Ų3020%0.19615%0.154CC..Hα-helixtrans-57.9-38.7174.6-75.2-172.3172.8-165.30112.4Y84 L210 V291 V297 A298 P299 Y383Y84-K295 HydrophobicContact CE2-CB 4.47Å; L210-K295 HydrophobicContact CD2-CG 3.87Å; V291-K295 HydrophobicContact CG1-CD 4.23Å; V291-K295 HydrophobicContact CG1-CG 4.41Å; V291-K295 WeakPolarHBondContact O-CG 3.49Å; V291-K295 PolarHBondContact O-N 2.81Å; K295-V297 PolarHBondContact O-N 2.76Å; K295-A298 PolarHBondContact O-N 3.21Å; K295-P299 VanDerWaalsContact O-CD 3.24Å; K295-P299 WeakPolarHBondContact O-CD 3.2Å; K295-Y383 VanDerWaalsContact CE-OH 3.32Å; K295-Y383 WeakPolarHBondContact CE-OH 3.1Å; K295-Y383 PolarHBondContact NZ-OH 3.34Å
296A97.4Very high95.8Very high1 Ų126.3 Ų26.31%0.00814%0.137CC..Hα-helixtrans-62.4-27177.800000113.9I81 R83 Y84 Q292 L294I81-A296 HydrophobicContact CG1-CB 4.1Å; R83-A296 PolarHBondContact NH2-O 3.25Å; Y84-A296 HydrophobicContact CD1-CB 3.74Å; Y84-A296 HydrophobicContact CG-CB 3.7Å; Q292-A296 WeakPolarHBondContact O-CB 3.42Å; Q292-A296 PolarHBondContact O-N 2.88Å; L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.01Å
297V97.1Very high95.6Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-100.9-23.9-178-178.80000112.3E70 L71 N80 L294 K295 P299 V300 M301E70-V297 HydrophobicContact CB-CG1 3.76Å; L71-V297 HydrophobicContact CB-CG1 4.27Å; L71-V297 HydrophobicContact CB-CG2 4.17Å; L71-V297 HydrophobicContact CD1-CG2 3.84Å; N80-V297 HydrophobicContact CB-CG2 3.86Å; L294-V297 PolarHBondContact O-N 2.97Å; L294-V297 VanDerWaalsContact O-N 3.08Å; K295-V297 PolarHBondContact O-N 2.76Å; V297-P299 VanDerWaalsContact C-CD 3.42Å; V297-P299 VanDerWaalsContact C-N 3.32Å; V297-P299 VanDerWaalsContact O-N 3.13Å; V297-V300 HydrophobicContact CG1-CG2 4.1Å; V297-V300 WeakPolarHBondContact O-CG2 3.43Å; V297-V300 PolarHBondContact O-N 3.28Å; V297-M301 HydrophobicContact CG1-CB 4.48Å; V297-M301 HydrophobicContact CG1-CE 3.43Å; V297-M301 VanDerWaalsContact CG1-CE 3.43Å; V297-M301 PolarHBondContact O-N 3.18Å
298A96.5Very high95.5Very high13 Ų1324.2 Ų24.211%0.10713%0.127CC..THydrogen-bonded Turntrans-49.1-40.4-178.300000114.8Y207 R208 L294 K295 V300Y207-A298 HydrophobicContact CD1-CB 3.9Å; R208-A298 PolarHBondContact NH2-O 3.06Å; R208-A298 VanDerWaalsContact NH2-O 3.08Å; L294-A298 PolarHBondContact O-N 3.2Å; K295-A298 PolarHBondContact O-N 3.21Å; A298-V300 VanDerWaalsContact C-N 3.3Å; A298-V300 PolarHBondContact O-N 2.82Å
299P95.1Very high95.5Very high72 Ų7222.3 Ų22.347%0.46812%0.12SC..THydrogen-bonded Turntrans-63-31.2177.9-25.535.5000114.4R208 K295 V297R208-P299 PolarHBondContact NH2-O 3.26Å; K295-P299 VanDerWaalsContact O-CD 3.24Å; K295-P299 WeakPolarHBondContact O-CD 3.2Å; V297-P299 VanDerWaalsContact C-CD 3.42Å; V297-P299 VanDerWaalsContact C-N 3.32Å; V297-P299 VanDerWaalsContact O-N 3.13Å
300V96Very high95.5Very high44 Ų4422.6 Ų22.627%0.26712%0.122SC..THydrogen-bonded Turntrans-101.1-13.3-177.2-64.20000113.9N67 E70 V297 A298N67-V300 PolarHBondContact ND2-O 2.83Å; E70-V300 HydrophobicContact CB-CG2 4.35Å; E70-V300 HydrophobicContact CG-CG2 4.22Å; V297-V300 HydrophobicContact CG1-CG2 4.1Å; V297-V300 WeakPolarHBondContact O-CG2 3.43Å; V297-V300 PolarHBondContact O-N 3.28Å; A298-V300 VanDerWaalsContact C-N 3.3Å; A298-V300 PolarHBondContact O-N 2.82Å
301M95.3Very high95.4Very high0 Ų022.6 Ų22.60%012%0.122CC..SBendtrans-66.7135.3178.4-168.867.261.800110.6F65 N67 E70 Y207 R208 V297 N303F65-M301 HydrophobicContact CB-CG 4.46Å; F65-M301 HydrophobicContact CB-SD 3.76Å; F65-M301 HydrophobicContact CG-CG 4.47Å; F65-M301 HydrophobicContact CG-SD 4.28Å; N67-M301 PolarHBondContact OD1-SD 2.94Å; E70-M301 HydrophobicContact CB-CE 4.48Å; Y207-M301 HydrophobicContact CD1-CB 4.22Å; Y207-M301 HydrophobicContact CD1-CG 4.32Å; Y207-M301 HydrophobicContact CD2-CB 4.23Å; Y207-M301 HydrophobicContact CD2-CG 3.51Å; Y207-M301 HydrophobicContact CE1-CE 4.3Å; Y207-M301 HydrophobicContact CE2-CE 3.92Å; Y207-M301 HydrophobicContact CE2-CG 3.72Å; Y207-M301 HydrophobicContact CE2-SD 4.2Å; Y207-M301 HydrophobicContact CG-CB 4Å; Y207-M301 HydrophobicContact CG-CG 3.8Å; R208-M301 VanDerWaalsContact CZ-O 3.3Å; R208-M301 PolarHBondContact NH1-O 2.82Å; R208-M301 PolarHBondContact NH2-O 3.12Å; V297-M301 HydrophobicContact CG1-CB 4.48Å; V297-M301 HydrophobicContact CG1-CE 3.43Å; V297-M301 VanDerWaalsContact CG1-CE 3.43Å; V297-M301 PolarHBondContact O-N 3.18Å; M301-N303 PolarHBondContact O-N 3.26Å; M301-N303 VanDerWaalsContact O-N 3.09Å
302N93.1Very high95.4Very high91 Ų9122.2 Ų22.249%0.48712%0.12SC..  trans-78.293.4171.3-71.15.7000107.2P66 N67 D304P66-N302 HydrophobicContact CB-CB 4.14Å; P66-N302 WeakPolarHBondContact CD-O 3.36Å; P66-N302 HydrophobicContact CG-CB 4.05Å; N67-N302 PolarHBondContact ND2-N 2.75Å; N67-N302 PolarHBondContact ND2-OD1 3.44Å; N67-N302 WeakPolarHBondContact OD1-CB 3.03Å; N67-N302 PolarHBondContact OD1-N 3.35Å; N302-D304 PolarHBondContact O-N 3.13Å; N302-D304 VanDerWaalsContact O-N 3.08Å
303N88.7Confident95.4Very high47 Ų4722.2 Ų22.225%0.25112%0.12SC..  trans-78.193.1-179-169.264.8000110.2T206 Y207 R208 M301T206-N303 PolarHBondContact OG1-OD1 2.9Å; Y207-N303 PolarHBondContact N-OD1 2.81Å; R208-N303 HydrophobicContact CB-CB 4.25Å; R208-N303 HydrophobicContact CG-CB 4.26Å; R208-N303 PolarHBondContact N-OD1 2.92Å; R208-N303 PolarHBondContact O-ND2 3.31Å; R208-N303 VanDerWaalsContact O-ND2 3.15Å; M301-N303 PolarHBondContact O-N 3.26Å; M301-N303 VanDerWaalsContact O-N 3.09Å
304D90.1Very high95.3Very high44 Ų4422.5 Ų22.524%0.23512%0.122CC..  trans-95.4132173.7-167.5-55.6000110.2P66 N302 H306 C307P66-D304 HydrophobicContact CG-CB 4.4Å; N302-D304 PolarHBondContact O-N 3.13Å; N302-D304 VanDerWaalsContact O-N 3.08Å; D304-H306 PolarHBondContact O-N 2.85Å; D304-H306 WeakPolarHBondContact OD1-CB 3.33Å; D304-H306 IonicContact OD1-CE1 3.98Å; D304-H306 IonicContact OD1-CG 3.03Å; D304-H306 PolarHBondContact OD1-N 2.94Å; D304-H306 IonicContact OD1-ND1 2.76Å; D304-H306 PolarHBondContact OD1-ND1 3.41Å; D304-C307 HydrophobicContact CB-CB 4.41Å; D304-C307 PolarHBondContact O-N 3.5Å; D304-C307 VanDerWaalsContact O-N 3.11Å
305K89.6Confident95.3Very high88 Ų8822.5 Ų22.538%0.38312%0.122SC..THydrogen-bonded Turntrans-70.9-1.6-177.866.3171.8-171.7169.40114.1D58 C365 R369D58-K305 IonicContact OD1-NZ 3.87Å; D58-K305 PolarHBondContact OD1-NZ 3.45Å; K305-C365 HydrophobicContact CB-CB 4.44Å; K305-C365 HydrophobicContact CD-CB 3.69Å; K305-C365 WeakPolarHBondContact CE-SG 3.26Å; K305-C365 HydrophobicContact CG-CB 3.9Å; K305-C365 PolarHBondContact NZ-SG 2.69Å; K305-R369 PolarHBondContact O-NH2 2.84Å
306H92.9Very high95.3Very high12 Ų1221.2 Ų21.26%0.05612%0.116CC..THydrogen-bonded Turntrans-102.7-0.7173.6-48.198.7000111.6L56 S57 D58 Q60 L61 V62 D304L56-H306 HydrophobicContact CB-CB 4.06Å; L56-H306 HydrophobicContact CD1-CB 3.58Å; L56-H306 HydrophobicContact CG-CB 4.41Å; S57-H306 PolarHBondContact O-CD2 3.11Å; S57-H306 PolarHBondContact O-NE2 3.31Å; D58-H306 IonicContact OD1-NE2 3.88Å; Q60-H306 WeakPolarHBondContact O-CB 3.48Å; Q60-H306 PolarHBondContact O-CD2 3.34Å; L61-H306 CarbonylContact C-O 3.52Å; L61-H306 WeakPolarHBondContact CA-O 3.33Å; L61-H306 VanDerWaalsContact CD1-O 3.26Å; L61-H306 WeakPolarHBondContact CD1-O 3.49Å; V62-H306 PolarHBondContact N-O 3.43Å; D304-H306 PolarHBondContact O-N 2.85Å; D304-H306 WeakPolarHBondContact OD1-CB 3.33Å; D304-H306 IonicContact OD1-CE1 3.98Å; D304-H306 IonicContact OD1-CG 3.03Å; D304-H306 PolarHBondContact OD1-N 2.94Å; D304-H306 IonicContact OD1-ND1 2.76Å; D304-H306 PolarHBondContact OD1-ND1 3.41Å
307C94.4Very high95.3Very high0 Ų021.3 Ų21.30%012%0.117CC..BIsolated β-bridgetrans-107.1149.6-173.4-63.90000111.7V62 H64 F65 D304 R369V62-C307 HydrophobicContact CG2-CB 4.42Å; V62-C307 VanDerWaalsContact CG2-SG 3.51Å; V62-C307 WeakPolarHBondContact O-CA 3.37Å; H64-C307 WeakPolarHBondContact O-CB 3.33Å; H64-C307 PolarHBondContact O-SG 3.25Å; F65-C307 HydrophobicContact CD1-CB 3.55Å; F65-C307 HydrophobicContact CE1-CB 3.72Å; F65-C307 HydrophobicContact CG-CB 4.11Å; F65-C307 HydrophobicContact CZ-CB 4.42Å; D304-C307 HydrophobicContact CB-CB 4.41Å; D304-C307 PolarHBondContact O-N 3.5Å; D304-C307 VanDerWaalsContact O-N 3.11Å; C307-R369 PolarHBondContact O-NH1 3.45Å; C307-R369 PolarHBondContact O-NH2 3.21Å; C307-R369 VanDerWaalsContact O-NH2 3.15Å
308F95.9Very high95.3Very high0 Ų021.7 Ų21.70%012%0.119CC..  trans-140.1170.6159.767.4-85.4000107.7F36 W38 L61 V62 N63 H64 L203 V204 T352 V356F36-F308 AromaticContact CE2-CE1 3.74Å; F36-F308 HydrophobicContact CE2-CE1 3.74Å; F36-F308 AromaticContact CE2-CZ 3.95Å; F36-F308 HydrophobicContact CE2-CZ 3.95Å; F36-F308 HydrophobicContact CZ-CE1 4.14Å; F36-F308 AromaticContact CZ-CZ 3.91Å; F36-F308 HydrophobicContact CZ-CZ 3.91Å; W38-F308 HydrophobicContact CE3-CZ 4.45Å; W38-F308 HydrophobicContact CH2-CE2 4.45Å; W38-F308 HydrophobicContact CZ3-CE2 4.23Å; W38-F308 HydrophobicContact CZ3-CZ 4.04Å; L61-F308 HydrophobicContact CD1-CD1 4.35Å; L61-F308 HydrophobicContact CD2-CD1 3.9Å; L61-F308 HydrophobicContact CD2-CE1 3.84Å; L61-F308 HydrophobicContact CG-CD1 3.94Å; L61-F308 HydrophobicContact CG-CE1 4.03Å; V62-F308 WeakPolarHBondContact O-CD1 3.48Å; V62-F308 WeakPolarHBondContact O-CE1 3.31Å; V62-F308 PolarHBondContact O-N 3.32Å; N63-F308 CarbonylContact C-O 3.54Å; N63-F308 WeakPolarHBondContact CA-O 3.34Å; N63-F308 HydrophobicContact CB-CE1 4.03Å; N63-F308 HydrophobicContact CB-CE2 3.87Å; N63-F308 HydrophobicContact CB-CZ 3.5Å; H64-F308 WeakPolarHBondContact CA-O 3.21Å; H64-F308 PolarHBondContact N-O 3.23Å; L203-F308 HydrophobicContact CD1-CD2 3.83Å; V204-F308 WeakPolarHBondContact O-CA 3.42Å; F308-T352 HydrophobicContact CD2-CG2 4.26Å; F308-T352 HydrophobicContact CE2-CG2 3.77Å; F308-V356 HydrophobicContact CB-CG1 3.89Å; F308-V356 HydrophobicContact CD1-CB 4.08Å; F308-V356 HydrophobicContact CD1-CG1 4.02Å; F308-V356 HydrophobicContact CD1-CG2 4.12Å; F308-V356 HydrophobicContact CD2-CG1 3.73Å; F308-V356 HydrophobicContact CE1-CB 4.33Å; F308-V356 HydrophobicContact CE1-CG2 3.86Å; F308-V356 HydrophobicContact CE2-CG1 4.23Å; F308-V356 HydrophobicContact CE2-CG2 4.25Å; F308-V356 HydrophobicContact CG-CB 4.19Å; F308-V356 HydrophobicContact CG-CG1 3.6Å; F308-V356 HydrophobicContact CG-CG2 4.44Å; F308-V356 HydrophobicContact CZ-CG2 3.92Å
309E96.9Very high95.3Very high1 Ų125.1 Ų25.11%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-149.1131.5174.7-173.8102.1-147.800112H64 F65 H68 L203 V204 Y311 A330H64-E309 VanDerWaalsContact CA-OE2 3.26Å; H64-E309 WeakPolarHBondContact CA-OE2 3.43Å; H64-E309 IonicContact CE1-OE1 3.23Å; H64-E309 PolarHBondContact CE1-OE1 3.19Å; H64-E309 IonicContact CG-OE1 2.79Å; H64-E309 IonicContact CG-OE2 2.88Å; H64-E309 IonicContact ND1-OE1 3.43Å; H64-E309 PolarHBondContact ND1-OE1 3.34Å; H64-E309 IonicContact ND1-OE2 3.24Å; H64-E309 PolarHBondContact ND1-OE2 3.34Å; H64-E309 VanDerWaalsContact ND1-OE2 3.08Å; F65-E309 HydrophobicContact CD2-CB 3.66Å; F65-E309 HydrophobicContact CE2-CB 3.81Å; F65-E309 PolarHBondContact N-OE2 3.47Å; H68-E309 WeakPolarHBondContact CB-OE2 3.22Å; H68-E309 IonicContact CG-OE2 3Å; L203-E309 CarbonylContact C-O 3.53Å; L203-E309 WeakPolarHBondContact CA-O 3.24Å; V204-E309 PolarHBondContact N-O 2.85Å; V204-E309 PolarHBondContact O-N 3.08Å; E309-Y311 HydrophobicContact CB-CD2 4.4Å; E309-Y311 HydrophobicContact CB-CE1 4.43Å; E309-Y311 HydrophobicContact CB-CE2 3.86Å; E309-Y311 HydrophobicContact CG-CD1 3.83Å; E309-Y311 HydrophobicContact CG-CD2 4.04Å; E309-Y311 HydrophobicContact CG-CE1 3.51Å; E309-Y311 HydrophobicContact CG-CE2 3.73Å; E309-Y311 HydrophobicContact CG-CG 4.09Å; E309-Y311 VanDerWaalsContact CG-CZ 3.46Å; E309-A330 WeakPolarHBondContact OE1-CB 3.09Å
310C97.1Very high95.4Very high9 Ų929.9 Ų29.96%0.06115%0.149CC..EExtended strand (participates in β ladder)trans-96.3106.2166179.20000109.8V202 P332V202-C310 CarbonylContact O-C 2.83Å; C310-P332 WeakPolarHBondContact O-CD 3.29Å
311Y97.8Very high95.4Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-87.1146.8176.3-64-73.2000112.3L71 T72 Y201 V202 V204 Y207 L294 E309 Y313 V328 N329L71-Y311 HydrophobicContact CD2-CD1 4.2Å; L71-Y311 HydrophobicContact CD2-CD2 4.3Å; L71-Y311 HydrophobicContact CD2-CE1 3.89Å; L71-Y311 HydrophobicContact CD2-CE2 4.01Å; L71-Y311 HydrophobicContact CD2-CG 4.38Å; T72-Y311 HydrophobicContact CG2-CD1 3.88Å; T72-Y311 HydrophobicContact CG2-CE1 3.71Å; Y201-Y311 WeakPolarHBondContact CA-O 3.43Å; V202-Y311 PolarHBondContact N-O 2.65Å; V202-Y311 PolarHBondContact O-N 3.43Å; V204-Y311 HydrophobicContact CB-CE2 4.1Å; V204-Y311 HydrophobicContact CG2-CD2 3.85Å; V204-Y311 HydrophobicContact CG2-CE2 3.7Å; Y207-Y311 VanDerWaalsContact OH-CE2 3.28Å; Y207-Y311 WeakPolarHBondContact OH-CE2 3.34Å; Y207-Y311 PolarHBondContact OH-OH 2.81Å; L294-Y311 HydrophobicContact CD2-CE2 4.38Å; E309-Y311 HydrophobicContact CB-CD2 4.4Å; E309-Y311 HydrophobicContact CB-CE1 4.43Å; E309-Y311 HydrophobicContact CB-CE2 3.86Å; E309-Y311 HydrophobicContact CG-CD1 3.83Å; E309-Y311 HydrophobicContact CG-CD2 4.04Å; E309-Y311 HydrophobicContact CG-CE1 3.51Å; E309-Y311 HydrophobicContact CG-CE2 3.73Å; E309-Y311 HydrophobicContact CG-CG 4.09Å; E309-Y311 VanDerWaalsContact CG-CZ 3.46Å; Y311-Y313 HydrophobicContact CG-CE2 4.44Å; Y311-V328 HydrophobicContact CD1-CG1 3.73Å; Y311-V328 HydrophobicContact CG-CG1 3.96Å; Y311-N329 WeakPolarHBondContact CA-O 3.41Å
312G97.4Very high95.5Very high0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-101.8111.8164.100000111.1L200 N329L200-G312 CarbonylContact O-C 3.46Å; L200-G312 WeakPolarHBondContact O-CA 3.26Å; G312-N329 PolarHBondContact N-O 3.47Å; G312-N329 PolarHBondContact O-N 3.27Å
313Y97.9Very high95.7Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-89.1131.7176.5-86.2-107.3000111L198 R199 L200 V202 V290 S293 L294 Y311 L325 V328L198-Y313 VanDerWaalsContact O-O 3.12Å; R199-Y313 WeakPolarHBondContact CA-O 3.43Å; L200-Y313 PolarHBondContact N-O 2.9Å; L200-Y313 PolarHBondContact O-N 2.73Å; V202-Y313 HydrophobicContact CB-CD2 3.91Å; V202-Y313 HydrophobicContact CB-CE2 3.86Å; V202-Y313 HydrophobicContact CG1-CE2 4.34Å; V202-Y313 HydrophobicContact CG2-CD2 3.53Å; V202-Y313 HydrophobicContact CG2-CE2 3.81Å; V202-Y313 HydrophobicContact CG2-CG 4.24Å; V290-Y313 HydrophobicContact CB-CE1 4.34Å; V290-Y313 HydrophobicContact CG1-CE1 4.31Å; V290-Y313 HydrophobicContact CG1-CE2 4.33Å; V290-Y313 HydrophobicContact CG2-CD1 3.86Å; V290-Y313 HydrophobicContact CG2-CE1 4Å; V290-Y313 HydrophobicContact CG2-CG 4.25Å; S293-Y313 WeakPolarHBondContact OG-CE1 3.15Å; S293-Y313 PolarHBondContact OG-OH 3.02Å; L294-Y313 WeakPolarHBondContact CD2-OH 3.4Å; L294-Y313 WeakPolarHBondContact CG-OH 3.49Å; Y311-Y313 HydrophobicContact CG-CE2 4.44Å; Y313-L325 HydrophobicContact CD1-CD1 3.63Å; Y313-L325 HydrophobicContact CE1-CD1 4.05Å; Y313-L325 HydrophobicContact CE1-CD2 4.49Å; Y313-V328 HydrophobicContact CD1-CG2 3.81Å; Y313-V328 HydrophobicContact CD2-CG1 4.03Å; Y313-V328 HydrophobicContact CD2-CG2 4.45Å; Y313-V328 HydrophobicContact CE1-CG2 3.54Å; Y313-V328 HydrophobicContact CE2-CG1 3.73Å; Y313-V328 HydrophobicContact CE2-CG2 4.21Å; Y313-V328 HydrophobicContact CG-CG2 4.26Å
314D97.1Very high96.2Very high6 Ų626.1 Ų26.13%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-110.8113176.7-67.821.8000109.1L198 R199 R221 I326 E327 N329L198-D314 WeakPolarHBondContact O-CA 3.42Å; R199-D314 IonicContact CZ-OD1 3.08Å; R199-D314 IonicContact CZ-OD2 3.95Å; R199-D314 IonicContact NE-OD1 2.67Å; R199-D314 PolarHBondContact NE-OD1 3.4Å; R199-D314 IonicContact NH2-OD1 3.61Å; R199-D314 PolarHBondContact NH2-OD1 2.71Å; R199-D314 IonicContact NH2-OD2 3.98Å; R199-D314 PolarHBondContact NH2-OD2 2.98Å; R221-D314 IonicContact CZ-OD2 3.7Å; R221-D314 IonicContact NH1-OD2 3.7Å; R221-D314 IonicContact NH2-OD1 2.81Å; R221-D314 IonicContact NH2-OD2 2.71Å; R221-D314 PolarHBondContact NH2-OD2 3.34Å; D314-I326 WeakPolarHBondContact O-CB 3.36Å; D314-I326 PolarHBondContact O-N 2.96Å; D314-E327 HydrophobicContact CB-CG 3.54Å; D314-E327 PolarHBondContact N-O 3.07Å; D314-E327 VanDerWaalsContact OD2-OE1 3.05Å; D314-N329 PolarHBondContact OD1-ND2 3.37Å
315I98.1Very high96.6Very high0 Ų024.1 Ų24.10%011%0.112CC..EExtended strand (participates in β ladder)trans-120.8136.7-176.9-64.1-179.2000109.8D197 L198 L200 I286 P323 W324 L325D197-I315 CarbonylContact C-O 3.49Å; D197-I315 WeakPolarHBondContact CA-O 3.38Å; L198-I315 HydrophobicContact CB-CB 4.43Å; L198-I315 WeakPolarHBondContact CD1-O 2.99Å; L198-I315 PolarHBondContact N-O 3.39Å; L198-I315 PolarHBondContact O-N 2.88Å; L200-I315 HydrophobicContact CD1-CD1 3.9Å; I286-I315 HydrophobicContact CB-CD1 4.39Å; I286-I315 HydrophobicContact CG1-CD1 4.26Å; I286-I315 HydrophobicContact CG1-CG2 4.46Å; I286-I315 HydrophobicContact CG2-CD1 3.7Å; I315-P323 HydrophobicContact CG2-CB 3.79Å; I315-W324 VanDerWaalsContact CA-O 3.31Å; I315-W324 WeakPolarHBondContact CA-O 3.17Å; I315-L325 HydrophobicContact CG1-CD1 4.47Å
316I97.5Very high96.8Very high17 Ų1721.3 Ų21.39%0.08710%0.101CC..EExtended strand (participates in β ladder)trans-108.8140.4168-72.3175.3000108.5I185 P188 D197 P323 W324 I326I185-I316 HydrophobicContact CD1-CB 4.1Å; I185-I316 HydrophobicContact CD1-CG2 3.91Å; I185-I316 HydrophobicContact CG2-CG2 4.26Å; P188-I316 HydrophobicContact CB-CG2 4.46Å; D197-I316 HydrophobicContact CB-CG1 3.88Å; I316-P323 CarbonylContact O-C 3.55Å; I316-P323 WeakPolarHBondContact O-CA 3.32Å; I316-W324 PolarHBondContact N-O 3.29Å; I316-W324 PolarHBondContact O-N 3.08Å; I316-I326 HydrophobicContact CB-CD1 4.19Å; I316-I326 HydrophobicContact CB-CG1 4.05Å; I316-I326 HydrophobicContact CD1-CD1 4.07Å; I316-I326 HydrophobicContact CD1-CG1 3.84Å; I316-I326 HydrophobicContact CG1-CD1 4.29Å; I316-I326 HydrophobicContact CG1-CG1 3.79Å
317I98Very high96.9Very high3 Ų321.6 Ų21.62%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-104.9133.3173.9-56.5168.4000107.4L189 L198 L266 L282 L321 K322L189-I317 HydrophobicContact CB-CB 4.33Å; L189-I317 HydrophobicContact CB-CG2 4.23Å; L189-I317 WeakPolarHBondContact CB-O 3.45Å; L189-I317 HydrophobicContact CD2-CG2 4.15Å; L189-I317 PolarHBondContact N-O 2.99Å; L198-I317 HydrophobicContact CD1-CD1 3.58Å; L198-I317 HydrophobicContact CD1-CG1 3.78Å; L198-I317 HydrophobicContact CD2-CD1 4.12Å; L266-I317 HydrophobicContact CD2-CD1 4.33Å; L282-I317 HydrophobicContact CD1-CD1 4.05Å; L282-I317 HydrophobicContact CD1-CG1 4.13Å; L282-I317 HydrophobicContact CD1-CG2 4.07Å; L282-I317 HydrophobicContact CD2-CD1 3.85Å; L282-I317 HydrophobicContact CD2-CG2 4.45Å; L282-I317 HydrophobicContact CG-CD1 4.41Å; I317-L321 HydrophobicContact CG2-CD2 4.24Å; I317-K322 WeakPolarHBondContact CA-O 3.46Å
318D97.1Very high96.9Very high9 Ų921.6 Ų21.65%0.04810%0.103CC..BIsolated β-bridgetrans-86171.9173.271.420.8000112.9I185 N187 K320 L321 K322 W324I185-D318 HydrophobicContact CG2-CB 4.21Å; N187-D318 CarbonylContact O-C 3.55Å; N187-D318 WeakPolarHBondContact O-CA 3.44Å; N187-D318 WeakPolarHBondContact O-CB 3.44Å; D318-K320 PolarHBondContact O-N 3.15Å; D318-K320 VanDerWaalsContact O-N 3.15Å; D318-K320 WeakPolarHBondContact OD1-CA 3.36Å; D318-K320 WeakPolarHBondContact OD1-CB 3.46Å; D318-K320 PolarHBondContact OD1-N 3.46Å; D318-L321 WeakPolarHBondContact O-CA 3.21Å; D318-L321 PolarHBondContact O-N 2.6Å; D318-L321 PolarHBondContact OD1-N 3.31Å; D318-K322 PolarHBondContact N-O 3.1Å; D318-K322 WeakPolarHBondContact OD1-CB 3.46Å; D318-K322 PolarHBondContact OD1-N 3.4Å; D318-K322 WeakPolarHBondContact OD2-CB 3.47Å; D318-W324 PolarHBondContact OD2-NE1 2.71Å
319D95.9Very high96.8Very high84 Ų8423 Ų2345%0.44911%0.11SC..THydrogen-bonded Turntrans-61.4-18.9-179.267.7-15.2000114.2N187 L321N187-D319 PolarHBondContact ND2-OD1 3.22Å; N187-D319 PolarHBondContact O-N 2.56Å; D319-L321 VanDerWaalsContact C-N 3.3Å
320K96.4Very high96.5Very high172 Ų17223.8 Ų23.875%0.74812%0.117SC*.THydrogen-bonded Turntrans-91.610.9173.5-65.9176.3-172.9177.20112.8D318 K322D318-K320 PolarHBondContact O-N 3.15Å; D318-K320 VanDerWaalsContact O-N 3.15Å; D318-K320 WeakPolarHBondContact OD1-CA 3.36Å; D318-K320 WeakPolarHBondContact OD1-CB 3.46Å; D318-K320 PolarHBondContact OD1-N 3.46Å; K320-K322 PolarHBondContact O-N 2.92Å
321L96.8Very high95.8Very high24 Ų2425 Ų2513%0.12613%0.126CC..SBendtrans59.932.2-178.2-56.5176000113.2L189 L270 R274 V278 L282 I317 D318 D319L189-L321 HydrophobicContact CD1-CD2 4.29Å; L189-L321 HydrophobicContact CD2-CD2 3.86Å; L270-L321 HydrophobicContact CD2-CD2 4.22Å; R274-L321 HydrophobicContact CB-CD1 4.45Å; R274-L321 HydrophobicContact CG-CD1 4.2Å; V278-L321 HydrophobicContact CG1-CD1 3.33Å; L282-L321 WeakPolarHBondContact CD1-O 3.29Å; L282-L321 HydrophobicContact CD2-CD2 4.5Å; I317-L321 HydrophobicContact CG2-CD2 4.24Å; D318-L321 WeakPolarHBondContact O-CA 3.21Å; D318-L321 PolarHBondContact O-N 2.6Å; D318-L321 PolarHBondContact OD1-N 3.31Å; D319-L321 VanDerWaalsContact C-N 3.3Å
322K97.1Very high95.1Very high48 Ų4825.5 Ų25.521%0.20913%0.129CC..  trans-93.9125.9170.6-174.9-171.9173.6-160.90109.9D108 I317 D318 K320 W324D108-K322 VanDerWaalsContact CG-NZ 3.35Å; D108-K322 WeakPolarHBondContact O-CE 3.49Å; D108-K322 PolarHBondContact O-NZ 3.15Å; D108-K322 IonicContact OD1-NZ 3.75Å; D108-K322 IonicContact OD2-NZ 3.64Å; D108-K322 PolarHBondContact OD2-NZ 3.32Å; I317-K322 WeakPolarHBondContact CA-O 3.46Å; D318-K322 PolarHBondContact N-O 3.1Å; D318-K322 WeakPolarHBondContact OD1-CB 3.46Å; D318-K322 PolarHBondContact OD1-N 3.4Å; D318-K322 WeakPolarHBondContact OD2-CB 3.47Å; K320-K322 PolarHBondContact O-N 2.92Å; K322-W324 HydrophobicContact CD-CH2 4.42Å; K322-W324 HydrophobicContact CD-CZ2 3.72Å; K322-W324 VanDerWaalsContact O-CD1 3.26Å
323P98.2Very high94.4Very high3 Ų328.6 Ų28.62%0.01915%0.15CC..EExtended strand (participates in β ladder)trans-81.2144.4175.130.3-30.4000111.9L282 Q285 I286 I289 I315 I316L282-P323 HydrophobicContact CD1-CB 4.12Å; L282-P323 HydrophobicContact CD1-CG 4.02Å; Q285-P323 HydrophobicContact CB-CG 3.62Å; Q285-P323 VanDerWaalsContact OE1-CD 3.25Å; I286-P323 HydrophobicContact CD1-CB 4.48Å; I286-P323 HydrophobicContact CG1-CB 3.65Å; I286-P323 HydrophobicContact CG1-CG 3.98Å; I289-P323 HydrophobicContact CD1-CB 3.78Å; I289-P323 HydrophobicContact CD1-CG 3.65Å; I289-P323 WeakPolarHBondContact CD1-O 3.49Å; I315-P323 HydrophobicContact CG2-CB 3.79Å; I316-P323 CarbonylContact O-C 3.55Å; I316-P323 WeakPolarHBondContact O-CA 3.32Å
324W98.3Very high93.7Very high29 Ų2929.4 Ų29.411%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-130.4124.2-179.8-63.693.7000110.3F109 P111 I185 I315 I316 D318 K322 I326F109-W324 WeakPolarHBondContact O-CA 3.47Å; P111-W324 HydrophobicContact CG-CE3 4.34Å; I185-W324 HydrophobicContact CD1-CB 3.5Å; I185-W324 VanDerWaalsContact CD1-CB 3.5Å; I185-W324 HydrophobicContact CD1-CD2 4.26Å; I185-W324 HydrophobicContact CD1-CG 3.54Å; I185-W324 HydrophobicContact CG1-CG 4.46Å; I315-W324 VanDerWaalsContact CA-O 3.31Å; I315-W324 WeakPolarHBondContact CA-O 3.17Å; I316-W324 PolarHBondContact N-O 3.29Å; I316-W324 PolarHBondContact O-N 3.08Å; D318-W324 PolarHBondContact OD2-NE1 2.71Å; K322-W324 HydrophobicContact CD-CH2 4.42Å; K322-W324 HydrophobicContact CD-CZ2 3.72Å; K322-W324 VanDerWaalsContact O-CD1 3.26Å; W324-I326 HydrophobicContact CB-CD1 4.28Å; W324-I326 PolarHBondContact O-N 2.89Å
325L98.1Very high93Very high1 Ų132.8 Ų32.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-73.6122.9173.1-179.960.2000110.2M77 F109 V110 P111 I289 Y313 I315 V328M77-L325 HydrophobicContact SD-CD2 4.01Å; M77-L325 HydrophobicContact SD-CG 4.37Å; F109-L325 HydrophobicContact CD2-CB 4.42Å; F109-L325 PolarHBondContact O-N 3.35Å; V110-L325 HydrophobicContact CG1-CB 3.99Å; V110-L325 HydrophobicContact CG1-CD2 4.24Å; V110-L325 HydrophobicContact CG1-CG 4.38Å; P111-L325 WeakPolarHBondContact CD-O 3.12Å; I289-L325 HydrophobicContact CG2-CB 3.75Å; I289-L325 HydrophobicContact CG2-CD2 4.25Å; I289-L325 HydrophobicContact CG2-CG 4.42Å; Y313-L325 HydrophobicContact CD1-CD1 3.63Å; Y313-L325 HydrophobicContact CE1-CD1 4.05Å; Y313-L325 HydrophobicContact CE1-CD2 4.49Å; I315-L325 HydrophobicContact CG1-CD1 4.47Å; L325-V328 HydrophobicContact CD1-CG2 3.99Å; L325-V328 HydrophobicContact CD2-CG2 4.38Å
326I94.9Very high92Very high30 Ų3034.9 Ų34.915%0.15419%0.19CC..EExtended strand (participates in β ladder)trans-104-47.7-176.7-55.2-54.6000111.7P111 I185 D314 I316 W324P111-I326 HydrophobicContact CG-CD1 4.15Å; I185-I326 HydrophobicContact CD1-CD1 3.8Å; D314-I326 WeakPolarHBondContact O-CB 3.36Å; D314-I326 PolarHBondContact O-N 2.96Å; I316-I326 HydrophobicContact CB-CD1 4.19Å; I316-I326 HydrophobicContact CB-CG1 4.05Å; I316-I326 HydrophobicContact CD1-CD1 4.07Å; I316-I326 HydrophobicContact CD1-CG1 3.84Å; I316-I326 HydrophobicContact CG1-CD1 4.29Å; I316-I326 HydrophobicContact CG1-CG1 3.79Å; W324-I326 HydrophobicContact CB-CD1 4.28Å; W324-I326 PolarHBondContact O-N 2.89Å
327E93.4Very high90.9Very high17 Ų1736.2 Ų36.28%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-157.8158.3176.159.1177.9-148.600111.2K74 D314 N329K74-E327 WeakPolarHBondContact CE-OE2 3.38Å; K74-E327 IonicContact NZ-OE2 3.19Å; K74-E327 PolarHBondContact NZ-OE2 3.34Å; D314-E327 HydrophobicContact CB-CG 3.54Å; D314-E327 PolarHBondContact N-O 3.07Å; D314-E327 VanDerWaalsContact OD2-OE1 3.05Å; E327-N329 PolarHBondContact OE1-ND2 2.87Å
328V96.1Very high90.1Very high1 Ų137 Ų371%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-121.1129.8168.7-175.10000107.4L71 T72 M77 Y311 Y313 L325L71-V328 HydrophobicContact CD1-CG2 4.2Å; L71-V328 HydrophobicContact CD2-CG1 3.94Å; L71-V328 HydrophobicContact CG-CB 4.08Å; L71-V328 HydrophobicContact CG-CG1 3.94Å; L71-V328 HydrophobicContact CG-CG2 4.25Å; T72-V328 VanDerWaalsContact CA-O 3.23Å; T72-V328 WeakPolarHBondContact CA-O 3.42Å; T72-V328 VanDerWaalsContact CB-O 3.26Å; T72-V328 WeakPolarHBondContact CB-O 3.42Å; T72-V328 HydrophobicContact CG2-CG1 4.26Å; M77-V328 HydrophobicContact SD-CG2 4.02Å; Y311-V328 HydrophobicContact CD1-CG1 3.73Å; Y311-V328 HydrophobicContact CG-CG1 3.96Å; Y313-V328 HydrophobicContact CD1-CG2 3.81Å; Y313-V328 HydrophobicContact CD2-CG1 4.03Å; Y313-V328 HydrophobicContact CD2-CG2 4.45Å; Y313-V328 HydrophobicContact CE1-CG2 3.54Å; Y313-V328 HydrophobicContact CE2-CG1 3.73Å; Y313-V328 HydrophobicContact CE2-CG2 4.21Å; Y313-V328 HydrophobicContact CG-CG2 4.26Å; L325-V328 HydrophobicContact CD1-CG2 3.99Å; L325-V328 HydrophobicContact CD2-CG2 4.38Å
329N93.3Very high89.5Confident28 Ų2839.4 Ų39.415%0.1523%0.227CC..EExtended strand (participates in β ladder)trans-109.3123.3-176.6-70-64.9000109.7R199 Y311 G312 D314 E327R199-N329 PolarHBondContact NH2-ND2 2.92Å; Y311-N329 WeakPolarHBondContact CA-O 3.41Å; G312-N329 PolarHBondContact N-O 3.47Å; G312-N329 PolarHBondContact O-N 3.27Å; D314-N329 PolarHBondContact OD1-ND2 3.37Å; E327-N329 PolarHBondContact OE1-ND2 2.87Å
330A89.9Confident89Confident18 Ų1840.5 Ų40.515%0.14923%0.233CC..SBendtrans-74.5148.7163.700000108.2I41 T72 E309I41-A330 HydrophobicContact CD1-CB 3.63Å; T72-A330 HydrophobicContact CG2-CB 3.77Å; E309-A330 WeakPolarHBondContact OE1-CB 3.09Å
331S82.8Confident88.5Confident36 Ų3632.6 Ų32.625%0.25220%0.199SC..SBendtrans48.261.7-178-153.80000112.8S333S331-S333 PolarHBondContact O-N 2.88Å
332P83.8Confident88.1Confident10 Ų1038.4 Ų38.47%0.06522%0.219CC..  trans-57.3136.5-177.325.9-35000110.4Y201 C310 L334Y201-P332 HydrophobicContact CD1-CB 4.35Å; Y201-P332 HydrophobicContact CD1-CG 3.99Å; Y201-P332 HydrophobicContact CE1-CB 3.82Å; Y201-P332 HydrophobicContact CE1-CG 3.82Å; C310-P332 WeakPolarHBondContact O-CD 3.29Å; P332-L334 PolarHBondContact O-N 2.88Å; P332-L334 VanDerWaalsContact O-N 3.11Å
333S82Confident87.8Confident65 Ų6540.6 Ų40.646%0.45523%0.232SC..  trans-49.3120.9-171.3178.80000112.8S331 T335 K345S331-S333 PolarHBondContact O-N 2.88Å; S333-T335 VanDerWaalsContact C-N 3.34Å; S333-T335 PolarHBondContact OG-N 3.2Å; S333-K345 VanDerWaalsContact O-CE 3.31Å; S333-K345 WeakPolarHBondContact O-CE 3.46Å; S333-K345 PolarHBondContact O-NZ 2.89Å
334L83.3Confident87.6Confident16 Ų1641.3 Ų41.38%0.08424%0.236CC..  trans-87.8-2.6176.9-61.5-177.5000113.4K13 V15 L16 W38 P332 S336 I349K13-L334 HydrophobicContact CB-CB 4.5Å; K13-L334 HydrophobicContact CG-CB 4.26Å; V15-L334 HydrophobicContact CG2-CB 3.85Å; V15-L334 HydrophobicContact CG2-CD1 4.22Å; V15-L334 HydrophobicContact CG2-CG 4.43Å; L16-L334 HydrophobicContact CD1-CD1 3.87Å; L16-L334 HydrophobicContact CD2-CD1 3.69Å; L16-L334 HydrophobicContact CG-CD1 3.72Å; W38-L334 HydrophobicContact CZ2-CD1 4.48Å; P332-L334 PolarHBondContact O-N 2.88Å; P332-L334 VanDerWaalsContact O-N 3.11Å; L334-S336 PolarHBondContact O-N 3.43Å; L334-I349 HydrophobicContact CD1-CD1 4.17Å; L334-I349 HydrophobicContact CD2-CD1 3.99Å; L334-I349 HydrophobicContact CD2-CG1 4.33Å
335T81.4Confident87.4Confident78 Ų7840.3 Ų40.348%0.47923%0.232SC..  trans-67.6126.6177-55.10000110.9S333 K345S333-T335 VanDerWaalsContact C-N 3.34Å; S333-T335 PolarHBondContact OG-N 3.2Å; T335-K345 PolarHBondContact O-NZ 3.19Å
336S78.1Confident87.2Confident43 Ų4342.7 Ų42.730%0.30124%0.241SC..  trans-100.6124.4-176.5-58.70000110.8L334 R342L334-S336 PolarHBondContact O-N 3.43Å; S336-R342 VanDerWaalsContact OG-CA 3.24Å; S336-R342 WeakPolarHBondContact OG-CA 3.42Å; S336-R342 PolarHBondContact OG-N 3.36Å
337S74.8Confident87.3Confident45 Ų4543.7 Ų43.732%0.31525%0.247SC..SBendtrans-91.8-24.9175.429.20000113.1D341S337-D341 PolarHBondContact N-OD2 3.15Å; S337-D341 PolarHBondContact OG-OD2 3.42Å
338T81.1Confident87.4Confident21 Ų2142.9 Ų42.913%0.12924%0.243CC..SBendtrans-132.4163.9-178.666.50000110.3N340 D341 R342T338-N340 VanDerWaalsContact C-N 3.28Å; T338-N340 PolarHBondContact O-N 3.18Å; T338-D341 PolarHBondContact N-OD2 3.19Å; T338-D341 WeakPolarHBondContact O-CB 3.31Å; T338-D341 PolarHBondContact O-N 3.09Å; T338-D341 VanDerWaalsContact OG1-CG 3.27Å; T338-D341 PolarHBondContact OG1-N 3.06Å; T338-D341 VanDerWaalsContact OG1-N 3.13Å; T338-D341 PolarHBondContact OG1-OD2 2.93Å; T338-R342 PolarHBondContact O-N 3.06Å; T338-R342 VanDerWaalsContact O-N 3.08Å
339A84.3Confident87.4Confident59 Ų5943 Ų4349%0.48824%0.243SC..Hα-helixtrans-59.9-40.6175.300000111.7D341 R342 I343A339-D341 PolarHBondContact O-N 2.82Å; A339-R342 WeakPolarHBondContact O-CB 3.38Å; A339-R342 PolarHBondContact O-N 2.81Å; A339-R342 VanDerWaalsContact O-N 3.16Å; A339-I343 WeakPolarHBondContact O-CG1 3.45Å; A339-I343 PolarHBondContact O-N 2.76Å
340N84.4Confident87.4Confident106 Ų10642.8 Ų42.857%0.56724%0.243SC*.Hα-helixtrans-62.7-41176.4-68.9-16.7000112.1T338 R342 I343 L344T338-N340 VanDerWaalsContact C-N 3.28Å; T338-N340 PolarHBondContact O-N 3.18Å; N340-R342 VanDerWaalsContact C-N 3.3Å; N340-R342 PolarHBondContact O-N 2.9Å; N340-I343 PolarHBondContact O-N 3.42Å; N340-L344 WeakPolarHBondContact O-CB 3.3Å; N340-L344 PolarHBondContact O-N 3.03Å
341D85.9Confident87.7Confident6 Ų642.4 Ų42.43%0.03224%0.238CC..Hα-helixtrans-60.6-42.2173.7-75.2-31.2000111.3K260 S337 T338 A339 L344 K345K260-D341 IonicContact NZ-OD1 3.73Å; K260-D341 PolarHBondContact NZ-OD1 2.86Å; K260-D341 IonicContact NZ-OD2 3.97Å; K260-D341 PolarHBondContact NZ-OD2 2.99Å; S337-D341 PolarHBondContact N-OD2 3.15Å; S337-D341 PolarHBondContact OG-OD2 3.42Å; T338-D341 PolarHBondContact N-OD2 3.19Å; T338-D341 WeakPolarHBondContact O-CB 3.31Å; T338-D341 PolarHBondContact O-N 3.09Å; T338-D341 VanDerWaalsContact OG1-CG 3.27Å; T338-D341 PolarHBondContact OG1-N 3.06Å; T338-D341 VanDerWaalsContact OG1-N 3.13Å; T338-D341 PolarHBondContact OG1-OD2 2.93Å; A339-D341 PolarHBondContact O-N 2.82Å; D341-L344 PolarHBondContact O-N 3.05Å; D341-K345 WeakPolarHBondContact O-CB 3.4Å; D341-K345 VanDerWaalsContact O-CG 3.24Å; D341-K345 WeakPolarHBondContact O-CG 3.37Å; D341-K345 PolarHBondContact O-N 2.92Å
342R88.8Confident88.3Confident147 Ų14740.7 Ų40.756%0.55523%0.226SC*.Hα-helixtrans-63.3-46.6-179.7-172.7177.365.7-174.71111.4V15 S336 T338 A339 N340 K345 Y346V15-R342 HydrophobicContact CG1-CG 4.48Å; S336-R342 VanDerWaalsContact OG-CA 3.24Å; S336-R342 WeakPolarHBondContact OG-CA 3.42Å; S336-R342 PolarHBondContact OG-N 3.36Å; T338-R342 PolarHBondContact O-N 3.06Å; T338-R342 VanDerWaalsContact O-N 3.08Å; A339-R342 WeakPolarHBondContact O-CB 3.38Å; A339-R342 PolarHBondContact O-N 2.81Å; A339-R342 VanDerWaalsContact O-N 3.16Å; N340-R342 VanDerWaalsContact C-N 3.3Å; N340-R342 PolarHBondContact O-N 2.9Å; R342-K345 PolarHBondContact O-N 3.16Å; R342-Y346 VanDerWaalsContact O-CB 3.23Å; R342-Y346 WeakPolarHBondContact O-CB 3.41Å; R342-Y346 PolarHBondContact O-N 3.31Å
343I91.8Very high88.8Confident93 Ų9340.2 Ų40.248%0.47722%0.223SC..Hα-helixtrans-63.6-47.8177.9-65.6166.2000110.3A339 N340 K345 Y346 N347A339-I343 WeakPolarHBondContact O-CG1 3.45Å; A339-I343 PolarHBondContact O-N 2.76Å; N340-I343 PolarHBondContact O-N 3.42Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.43Å; I343-Y346 PolarHBondContact O-N 2.88Å; I343-N347 WeakPolarHBondContact O-CB 3.43Å; I343-N347 PolarHBondContact O-N 3.25Å
344L93.1Very high89.3Confident19 Ų1939.7 Ų39.710%0.09922%0.215CC..Hα-helixtrans-57.6-47.4179.2-177.6155.4000111.2Y201 L217 F219 N340 D341 N347 L348Y201-L344 HydrophobicContact CD2-CD2 4.37Å; Y201-L344 HydrophobicContact CE2-CD2 3.69Å; L217-L344 HydrophobicContact CB-CD1 4.02Å; L217-L344 HydrophobicContact CB-CG 4.25Å; F219-L344 HydrophobicContact CD1-CD1 4.33Å; N340-L344 WeakPolarHBondContact O-CB 3.3Å; N340-L344 PolarHBondContact O-N 3.03Å; D341-L344 PolarHBondContact O-N 3.05Å; L344-N347 PolarHBondContact O-N 3.32Å; L344-L348 VanDerWaalsContact O-CB 3.29Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 3.36Å
345K93.6Very high89.7Confident8 Ų838.9 Ų38.94%0.03521%0.211CC..Hα-helixtrans-71.5-39-177.5-71.4171.3-177.1-165.30112.5V15 S333 T335 D341 R342 I343 N347 L348 I349V15-K345 HydrophobicContact CG1-CB 4.36Å; S333-K345 VanDerWaalsContact O-CE 3.31Å; S333-K345 WeakPolarHBondContact O-CE 3.46Å; S333-K345 PolarHBondContact O-NZ 2.89Å; T335-K345 PolarHBondContact O-NZ 3.19Å; D341-K345 WeakPolarHBondContact O-CB 3.4Å; D341-K345 VanDerWaalsContact O-CG 3.24Å; D341-K345 WeakPolarHBondContact O-CG 3.37Å; D341-K345 PolarHBondContact O-N 2.92Å; R342-K345 PolarHBondContact O-N 3.16Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.43Å; K345-N347 VanDerWaalsContact C-N 3.34Å; K345-L348 PolarHBondContact O-N 2.83Å; K345-I349 WeakPolarHBondContact O-CG1 3.35Å; K345-I349 PolarHBondContact O-N 3.42Å
346Y94.9Very high90.2Very high50 Ų5035.6 Ų35.620%0.19619%0.191CC..Hα-helixtrans-59.1-47.6173.4179.9-93.5000111.1N18 N19 K22 R342 I343 I349 N350N18-Y346 HydrophobicContact CB-CD2 4.41Å; N18-Y346 HydrophobicContact CB-CE2 3.8Å; N19-Y346 VanDerWaalsContact ND2-CD2 3.34Å; N19-Y346 WeakPolarHBondContact ND2-CD2 3.32Å; N19-Y346 WeakPolarHBondContact ND2-CE2 3.37Å; N19-Y346 PolarHBondContact ND2-O 3.17Å; K22-Y346 WeakPolarHBondContact CD-OH 3.35Å; R342-Y346 VanDerWaalsContact O-CB 3.23Å; R342-Y346 WeakPolarHBondContact O-CB 3.41Å; R342-Y346 PolarHBondContact O-N 3.31Å; I343-Y346 PolarHBondContact O-N 2.88Å; Y346-I349 PolarHBondContact O-N 3.15Å; Y346-N350 WeakPolarHBondContact O-CB 3.48Å; Y346-N350 PolarHBondContact O-N 3.22Å
347N95.7Very high90.6Very high51 Ų5134 Ų3427%0.27318%0.178SC..Hα-helixtrans-66.7-37.9177.2-69-11.8000112.2Y215 I343 L344 K345 I349 N350 D351Y215-N347 WeakPolarHBondContact OH-CB 3.31Å; Y215-N347 PolarHBondContact OH-O 2.74Å; I343-N347 WeakPolarHBondContact O-CB 3.43Å; I343-N347 PolarHBondContact O-N 3.25Å; L344-N347 PolarHBondContact O-N 3.32Å; K345-N347 VanDerWaalsContact C-N 3.34Å; N347-I349 PolarHBondContact O-N 3.48Å; N347-N350 WeakPolarHBondContact O-CB 3.44Å; N347-N350 PolarHBondContact O-N 3.19Å; N347-D351 WeakPolarHBondContact O-CB 3.16Å; N347-D351 PolarHBondContact O-N 3.35Å
348L96.1Very high90.6Very high1 Ų133.2 Ų33.21%0.00517%0.173CC..Hα-helixtrans-57.5-49.3175.9174.372.4000111Y201 Y215 L344 K345 T352 Y379Y201-L348 HydrophobicContact CD1-CD1 4.3Å; Y201-L348 HydrophobicContact CD1-CD2 3.42Å; Y201-L348 VanDerWaalsContact CD1-CD2 3.42Å; Y201-L348 HydrophobicContact CD2-CD1 4.42Å; Y201-L348 HydrophobicContact CD2-CD2 4.19Å; Y201-L348 HydrophobicContact CE1-CD2 3.52Å; Y201-L348 HydrophobicContact CE2-CD2 4.31Å; Y201-L348 HydrophobicContact CG-CD1 3.92Å; Y201-L348 HydrophobicContact CG-CD2 3.75Å; Y215-L348 HydrophobicContact CD1-CB 4.46Å; Y215-L348 HydrophobicContact CD1-CD1 3.49Å; Y215-L348 VanDerWaalsContact CD1-CD1 3.49Å; Y215-L348 HydrophobicContact CD2-CD1 3.88Å; Y215-L348 HydrophobicContact CE1-CB 3.88Å; Y215-L348 HydrophobicContact CE1-CD1 3.75Å; Y215-L348 HydrophobicContact CE1-CG 4.44Å; Y215-L348 HydrophobicContact CE2-CD1 4.09Å; Y215-L348 HydrophobicContact CG-CD1 3.59Å; Y215-L348 WeakPolarHBondContact OH-CA 3.16Å; Y215-L348 PolarHBondContact OH-N 2.89Å; Y215-L348 VanDerWaalsContact OH-N 3.13Å; L344-L348 VanDerWaalsContact O-CB 3.29Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 3.36Å; K345-L348 PolarHBondContact O-N 2.83Å; L348-T352 VanDerWaalsContact O-CB 3.31Å; L348-T352 WeakPolarHBondContact O-CB 3.48Å; L348-T352 PolarHBondContact O-N 2.86Å; L348-T352 PolarHBondContact O-OG1 3.3Å; L348-Y379 HydrophobicContact CD1-CE2 4.45Å; L348-Y379 WeakPolarHBondContact CD1-OH 3.19Å
349I95.7Very high90.1Very high2 Ų239.2 Ų39.21%0.0120%0.204CC..Hα-helixtrans-65.6-43.9177.6-62.9-58.1000110.4L16 N19 W38 L334 K345 Y346 N347 D351 T352 L353L16-I349 HydrophobicContact CD2-CD1 3.84Å; L16-I349 HydrophobicContact CD2-CG1 4.01Å; L16-I349 HydrophobicContact CD2-CG2 3.89Å; N19-I349 HydrophobicContact CB-CG2 3.92Å; W38-I349 HydrophobicContact CH2-CD1 3.42Å; W38-I349 VanDerWaalsContact CH2-CD1 3.42Å; W38-I349 HydrophobicContact CZ2-CD1 3.74Å; W38-I349 HydrophobicContact CZ3-CD1 4.18Å; L334-I349 HydrophobicContact CD1-CD1 4.17Å; L334-I349 HydrophobicContact CD2-CD1 3.99Å; L334-I349 HydrophobicContact CD2-CG1 4.33Å; K345-I349 WeakPolarHBondContact O-CG1 3.35Å; K345-I349 PolarHBondContact O-N 3.42Å; Y346-I349 PolarHBondContact O-N 3.15Å; N347-I349 PolarHBondContact O-N 3.48Å; I349-D351 PolarHBondContact O-N 3.49Å; I349-T352 WeakPolarHBondContact O-CB 3.39Å; I349-T352 PolarHBondContact O-N 3.06Å; I349-L353 HydrophobicContact CG2-CD1 3.91Å; I349-L353 HydrophobicContact CG2-CG 4.28Å; I349-L353 VanDerWaalsContact O-CG 3.29Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 3.08Å
350N95.1Very high89.5Confident25 Ų2537.8 Ų37.813%0.13420%0.195CC..Hα-helixtrans-54.7-52.6176.9178.878000112N19 R23 Y346 N347 T352 L353 N354N19-N350 VanDerWaalsContact OD1-CA 3.23Å; N19-N350 WeakPolarHBondContact OD1-CA 2.94Å; N19-N350 WeakPolarHBondContact OD1-CB 3.17Å; R23-N350 PolarHBondContact NH1-OD1 3.05Å; R23-N350 PolarHBondContact NH2-O 2.79Å; R23-N350 PolarHBondContact NH2-OD1 3.28Å; Y346-N350 WeakPolarHBondContact O-CB 3.48Å; Y346-N350 PolarHBondContact O-N 3.22Å; N347-N350 WeakPolarHBondContact O-CB 3.44Å; N347-N350 PolarHBondContact O-N 3.19Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.12Å; N350-L353 PolarHBondContact O-N 2.68Å; N350-N354 VanDerWaalsContact O-CG 3.26Å; N350-N354 PolarHBondContact O-N 2.77Å; N350-N354 PolarHBondContact O-OD1 3.08Å
351D95.6Very high89.4Confident10 Ų1038.7 Ų38.75%0.05320%0.196CC..Hα-helixtrans-70.1-32.7-177.1-63.3-4.4000110.5Y215 N347 I349 N354 I355 N378 Y379Y215-D351 HydrophobicContact CE2-CB 3.98Å; Y215-D351 PolarHBondContact OH-OD2 2.94Å; N347-D351 WeakPolarHBondContact O-CB 3.16Å; N347-D351 PolarHBondContact O-N 3.35Å; I349-D351 PolarHBondContact O-N 3.49Å; D351-N354 PolarHBondContact O-N 2.79Å; D351-I355 WeakPolarHBondContact O-CG1 3.35Å; D351-I355 PolarHBondContact O-N 3.34Å; D351-N378 WeakPolarHBondContact OD2-CB 3.38Å; D351-N378 PolarHBondContact OD2-N 2.96Å; D351-N378 PolarHBondContact OD2-ND2 2.96Å; D351-Y379 HydrophobicContact CB-CD2 3.84Å; D351-Y379 HydrophobicContact CB-CE2 3.96Å
352T95.4Very high89.3Confident0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-60.5-49.8171.6-61.30000110.8L203 F308 L348 I349 N350 N354 I355 V356 Y379L203-T352 HydrophobicContact CD1-CG2 3.92Å; L203-T352 HydrophobicContact CD2-CG2 4.17Å; F308-T352 HydrophobicContact CD2-CG2 4.26Å; F308-T352 HydrophobicContact CE2-CG2 3.77Å; L348-T352 VanDerWaalsContact O-CB 3.31Å; L348-T352 WeakPolarHBondContact O-CB 3.48Å; L348-T352 PolarHBondContact O-N 2.86Å; L348-T352 PolarHBondContact O-OG1 3.3Å; I349-T352 WeakPolarHBondContact O-CB 3.39Å; I349-T352 PolarHBondContact O-N 3.06Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.12Å; T352-N354 VanDerWaalsContact C-N 3.32Å; T352-N354 PolarHBondContact O-N 3Å; T352-I355 WeakPolarHBondContact O-CB 3.45Å; T352-I355 PolarHBondContact O-N 3.09Å; T352-I355 VanDerWaalsContact O-N 3.09Å; T352-V356 HydrophobicContact CG2-CG1 4.43Å; T352-V356 WeakPolarHBondContact O-CG2 3.33Å; T352-V356 PolarHBondContact O-N 2.95Å; T352-Y379 PolarHBondContact OG1-OH 2.88Å
353L93.5Very high89.1Confident0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-63.6-38.2-179.7-67.6173.1000111.7N19 F20 W25 F36 W38 I349 N350 I355 V356 M357N19-L353 HydrophobicContact CB-CD1 3.96Å; F20-L353 HydrophobicContact CD1-CD1 3.92Å; F20-L353 HydrophobicContact CE1-CD1 3.75Å; F20-L353 HydrophobicContact CE1-CD2 4.12Å; W25-L353 HydrophobicContact CH2-CD2 4.21Å; W25-L353 HydrophobicContact CZ3-CD2 4.41Å; F36-L353 HydrophobicContact CE1-CD2 4.02Å; F36-L353 HydrophobicContact CE2-CD2 3.86Å; F36-L353 HydrophobicContact CZ-CD2 3.41Å; F36-L353 VanDerWaalsContact CZ-CD2 3.41Å; W38-L353 HydrophobicContact CZ3-CD2 4.46Å; I349-L353 HydrophobicContact CG2-CD1 3.91Å; I349-L353 HydrophobicContact CG2-CG 4.28Å; I349-L353 VanDerWaalsContact O-CG 3.29Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 3.08Å; N350-L353 PolarHBondContact O-N 2.68Å; L353-I355 PolarHBondContact O-N 3.11Å; L353-V356 HydrophobicContact CD2-CG2 4.43Å; L353-V356 PolarHBondContact O-N 3.27Å; L353-M357 CarbonylContact O-C 3.52Å; L353-M357 WeakPolarHBondContact O-CA 3.49Å; L353-M357 WeakPolarHBondContact O-CB 3.35Å; L353-M357 PolarHBondContact O-N 3.23Å
354N92.3Very high88.6Confident53 Ų5333.4 Ų33.428%0.28318%0.179SC..Hα-helixtrans-62-31.4174.8-68.3-6.5000112.6R23 N350 D351 T352 A375R23-N354 PolarHBondContact NH2-OD1 2.86Å; N350-N354 VanDerWaalsContact O-CG 3.26Å; N350-N354 PolarHBondContact O-N 2.77Å; N350-N354 PolarHBondContact O-OD1 3.08Å; D351-N354 PolarHBondContact O-N 2.79Å; T352-N354 VanDerWaalsContact C-N 3.32Å; T352-N354 PolarHBondContact O-N 3Å; N354-A375 VanDerWaalsContact CB-O 3.3Å; N354-A375 WeakPolarHBondContact CB-O 3.47Å
355I92Very high88Confident0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-78-47.2175.3-70.2172000111.1L203 T205 Y213 D351 T352 L353 W367 P371 L376 Y379L203-I355 HydrophobicContact CD2-CB 3.9Å; L203-I355 HydrophobicContact CD2-CD1 3.81Å; L203-I355 HydrophobicContact CD2-CG1 4.47Å; L203-I355 HydrophobicContact CD2-CG2 3.59Å; T205-I355 HydrophobicContact CG2-CG2 3.83Å; Y213-I355 HydrophobicContact CD1-CD1 4.4Å; Y213-I355 HydrophobicContact CE2-CG2 4.3Å; Y213-I355 HydrophobicContact CG-CD1 4.49Å; D351-I355 WeakPolarHBondContact O-CG1 3.35Å; D351-I355 PolarHBondContact O-N 3.34Å; T352-I355 WeakPolarHBondContact O-CB 3.45Å; T352-I355 PolarHBondContact O-N 3.09Å; T352-I355 VanDerWaalsContact O-N 3.09Å; L353-I355 PolarHBondContact O-N 3.11Å; I355-W367 WeakPolarHBondContact O-CH2 3.36Å; I355-W367 WeakPolarHBondContact O-CZ3 3.44Å; I355-P371 HydrophobicContact CB-CG 4.32Å; I355-P371 HydrophobicContact CG1-CG 4.18Å; I355-P371 HydrophobicContact CG2-CG 4.04Å; I355-L376 HydrophobicContact CD1-CD2 3.84Å; I355-L376 HydrophobicContact CG1-CD2 3.92Å; I355-Y379 HydrophobicContact CD1-CD1 4.47Å; I355-Y379 HydrophobicContact CD1-CD2 3.4Å; I355-Y379 HydrophobicContact CD1-CE2 4.16Å; I355-Y379 HydrophobicContact CD1-CG 3.59Å
356V91.3Very high87.2Confident9 Ų941.7 Ų41.76%0.05521%0.211CC..Hα-helixtrans-85.3-18.1-171.2-56.70000113.4F36 L61 L203 T205 F308 T352 L353F36-V356 HydrophobicContact CE2-CG2 4.43Å; L61-V356 HydrophobicContact CD2-CB 4Å; L61-V356 HydrophobicContact CD2-CG2 3.95Å; L203-V356 HydrophobicContact CD1-CG1 4.31Å; L203-V356 HydrophobicContact CD2-CG1 4.36Å; T205-V356 HydrophobicContact CG2-CG1 4.25Å; F308-V356 HydrophobicContact CB-CG1 3.89Å; F308-V356 HydrophobicContact CD1-CB 4.08Å; F308-V356 HydrophobicContact CD1-CG1 4.02Å; F308-V356 HydrophobicContact CD1-CG2 4.12Å; F308-V356 HydrophobicContact CD2-CG1 3.73Å; F308-V356 HydrophobicContact CE1-CB 4.33Å; F308-V356 HydrophobicContact CE1-CG2 3.86Å; F308-V356 HydrophobicContact CE2-CG1 4.23Å; F308-V356 HydrophobicContact CE2-CG2 4.25Å; F308-V356 HydrophobicContact CG-CB 4.19Å; F308-V356 HydrophobicContact CG-CG1 3.6Å; F308-V356 HydrophobicContact CG-CG2 4.44Å; F308-V356 HydrophobicContact CZ-CG2 3.92Å; T352-V356 HydrophobicContact CG2-CG1 4.43Å; T352-V356 WeakPolarHBondContact O-CG2 3.33Å; T352-V356 PolarHBondContact O-N 2.95Å; L353-V356 HydrophobicContact CD2-CG2 4.43Å; L353-V356 PolarHBondContact O-N 3.27Å
357M86.8Confident86.4Confident8 Ų842.8 Ų42.84%0.03922%0.215CC..SBendtrans-136.665.7-177.7-71.1-70.7-72.500109.9V5 W25 F36 L61 L353 G360 E361 P363V5-M357 HydrophobicContact CG1-CE 4.2Å; V5-M357 HydrophobicContact CG2-CE 4.22Å; W25-M357 HydrophobicContact CH2-CB 4.25Å; W25-M357 HydrophobicContact CH2-CE 4.16Å; W25-M357 HydrophobicContact CH2-CG 4.08Å; W25-M357 HydrophobicContact CZ2-CB 4.22Å; W25-M357 HydrophobicContact CZ2-CE 4.01Å; W25-M357 HydrophobicContact CZ2-CG 4.43Å; F36-M357 HydrophobicContact CD2-CG 4.2Å; F36-M357 HydrophobicContact CE2-CG 4.41Å; L61-M357 HydrophobicContact CD2-CG 3.79Å; L61-M357 HydrophobicContact CD2-SD 3.8Å; L353-M357 CarbonylContact O-C 3.52Å; L353-M357 WeakPolarHBondContact O-CA 3.49Å; L353-M357 WeakPolarHBondContact O-CB 3.35Å; L353-M357 PolarHBondContact O-N 3.23Å; M357-G360 PolarHBondContact O-N 2.87Å; M357-E361 WeakPolarHBondContact CE-O 3.37Å; M357-P363 HydrophobicContact CE-CB 4.15Å; M357-P363 HydrophobicContact CE-CG 3.54Å; M357-P363 HydrophobicContact SD-CB 3.5Å; M357-P363 VanDerWaalsContact SD-CB 3.5Å; M357-P363 HydrophobicContact SD-CG 3.45Å; M357-P363 WeakPolarHBondContact SD-CG 3.47Å
358P74.9Confident85.3Confident30 Ų3045.1 Ų45.120%0.19523%0.227CC..G310 helixtrans-59.8142.217928.7-36.5000110G360 W367P358-G360 PolarHBondContact O-N 3.18Å; P358-G360 VanDerWaalsContact O-N 3.08Å; P358-W367 HydrophobicContact CB-CZ2 4.45Å; P358-W367 VanDerWaalsContact CD-CZ3 3.5Å; P358-W367 HydrophobicContact CG-CD2 4.06Å; P358-W367 HydrophobicContact CG-CE3 4.09Å; P358-W367 HydrophobicContact CG-CH2 3.71Å; P358-W367 HydrophobicContact CG-CZ2 3.62Å; P358-W367 HydrophobicContact CG-CZ3 3.91Å
359N71.8Confident84.5Confident146 Ų14646.2 Ų46.278%0.78123%0.232SC*.G310 helixtrans66.9-3.9-177.6-48.7-28.3000116E361N359-E361 HydrophobicContact CB-CG 4.09Å; N359-E361 PolarHBondContact O-N 3.03Å
360G70.9Confident83.7Confident30 Ų3048.4 Ų48.431%0.30925%0.247SC..G310 helixtrans66.118.7178.500000114V5 M357 P358V5-G360 WeakPolarHBondContact CG2-O 3.26Å; M357-G360 PolarHBondContact O-N 2.87Å; P358-G360 PolarHBondContact O-N 3.18Å; P358-G360 VanDerWaalsContact O-N 3.08Å
361E81.8Confident83.2Confident125 Ų12548 Ų4858%0.58425%0.245SC*.PPolyproline II helixtrans-81.5172.2175.1-63.5-177.5166.400110.8V5 M357 N359V5-E361 VanDerWaalsContact CG2-C 3.46Å; V5-E361 WeakPolarHBondContact CG2-O 3.38Å; M357-E361 WeakPolarHBondContact CE-O 3.37Å; N359-E361 HydrophobicContact CB-CG 4.09Å; N359-E361 PolarHBondContact O-N 3.03Å
362I84.6Confident82.6Confident55 Ų5551 Ų5128%0.28227%0.266SS..PPolyproline II helixtrans-55134.2174.2-64.7174.9000108.7E59 D364E59-I362 HydrophobicContact CB-CG2 3.67Å; E59-I362 HydrophobicContact CG-CG2 3.74Å; I362-D364 PolarHBondContact O-N 2.99Å
363P83.5Confident82.1Confident10 Ų1061.2 Ų61.27%0.06530%0.304CS..PPolyproline II helixtrans-57.5141.2-179.5-8.317.3000110.4N35 E59 L61 M357N35-P363 HydrophobicContact CB-CG 4.17Å; E59-P363 WeakPolarHBondContact CA-O 2.89Å; E59-P363 WeakPolarHBondContact O-CD 3.46Å; E59-P363 WeakPolarHBondContact O-CG 3.36Å; L61-P363 HydrophobicContact CB-CB 4Å; L61-P363 HydrophobicContact CB-CG 3.96Å; M357-P363 HydrophobicContact CE-CB 4.15Å; M357-P363 HydrophobicContact CE-CG 3.54Å; M357-P363 HydrophobicContact SD-CB 3.5Å; M357-P363 VanDerWaalsContact SD-CB 3.5Å; M357-P363 HydrophobicContact SD-CG 3.45Å; M357-P363 WeakPolarHBondContact SD-CG 3.47Å
364D82.7Confident81.7Confident69 Ų6968.9 Ų68.937%0.36934%0.34SS..  trans-120.3112.6165.4-172.6-19.4000108.5I362 R366 W367I362-D364 PolarHBondContact O-N 2.99Å; D364-R366 PolarHBondContact O-N 3.12Å; D364-R366 VanDerWaalsContact O-N 3.08Å; D364-R366 VanDerWaalsContact OD1-CB 3.25Å; D364-R366 WeakPolarHBondContact OD1-CB 3.25Å; D364-R366 WeakPolarHBondContact OD1-CG 3.33Å; D364-R366 IonicContact OD1-CZ 3.77Å; D364-R366 PolarHBondContact OD1-N 3.25Å; D364-R366 IonicContact OD1-NE 2.7Å; D364-R366 PolarHBondContact OD1-NE 3.18Å; D364-R366 IonicContact OD1-NH2 2.69Å; D364-R366 IonicContact OD2-CZ 3.75Å; D364-R366 IonicContact OD2-NE 3.25Å; D364-R366 PolarHBondContact OD2-NE 2.9Å; D364-R366 IonicContact OD2-NH2 3.88Å; D364-R366 PolarHBondContact OD2-NH2 3.02Å; D364-W367 WeakPolarHBondContact O-CB 3.42Å; D364-W367 PolarHBondContact O-N 3.21Å
365C79.1Confident81.5Confident13 Ų1367.3 Ų67.39%0.08834%0.335CS..THydrogen-bonded Turntrans-60.2-15.5178.2680000114.7D58 K305 W367D58-C365 VanDerWaalsContact CA-SG 3.57Å; D58-C365 WeakPolarHBondContact CB-SG 3.41Å; D58-C365 PolarHBondContact O-N 3.25Å; D58-C365 VanDerWaalsContact O-N 3.08Å; D58-C365 PolarHBondContact OD1-SG 2.7Å; K305-C365 HydrophobicContact CB-CB 4.44Å; K305-C365 HydrophobicContact CD-CB 3.69Å; K305-C365 WeakPolarHBondContact CE-SG 3.26Å; K305-C365 HydrophobicContact CG-CB 3.9Å; K305-C365 PolarHBondContact NZ-SG 2.69Å; C365-W367 VanDerWaalsContact C-N 3.31Å
366R77.4Confident81.4Confident189 Ų18968 Ų6871%0.71334%0.338SS*.THydrogen-bonded Turntrans-83.2-9.5175.7-60.4170.5-66.9-170.91.2112.7D364D364-R366 PolarHBondContact O-N 3.12Å; D364-R366 VanDerWaalsContact O-N 3.08Å; D364-R366 VanDerWaalsContact OD1-CB 3.25Å; D364-R366 WeakPolarHBondContact OD1-CB 3.25Å; D364-R366 WeakPolarHBondContact OD1-CG 3.33Å; D364-R366 IonicContact OD1-CZ 3.77Å; D364-R366 PolarHBondContact OD1-N 3.25Å; D364-R366 IonicContact OD1-NE 2.7Å; D364-R366 PolarHBondContact OD1-NE 3.18Å; D364-R366 IonicContact OD1-NH2 2.69Å; D364-R366 IonicContact OD2-CZ 3.75Å; D364-R366 IonicContact OD2-NE 3.25Å; D364-R366 PolarHBondContact OD2-NE 2.9Å; D364-R366 IonicContact OD2-NH2 3.88Å; D364-R366 PolarHBondContact OD2-NH2 3.02Å
367W77.7Confident81.5Confident73 Ų7369.5 Ų69.528%0.27736%0.355SS..SBendtrans-61138.2177.7176.950.3000111.2I355 P358 D364 C365 R369 P371I355-W367 WeakPolarHBondContact O-CH2 3.36Å; I355-W367 WeakPolarHBondContact O-CZ3 3.44Å; P358-W367 HydrophobicContact CB-CZ2 4.45Å; P358-W367 VanDerWaalsContact CD-CZ3 3.5Å; P358-W367 HydrophobicContact CG-CD2 4.06Å; P358-W367 HydrophobicContact CG-CE3 4.09Å; P358-W367 HydrophobicContact CG-CH2 3.71Å; P358-W367 HydrophobicContact CG-CZ2 3.62Å; P358-W367 HydrophobicContact CG-CZ3 3.91Å; D364-W367 WeakPolarHBondContact O-CB 3.42Å; D364-W367 PolarHBondContact O-N 3.21Å; C365-W367 VanDerWaalsContact C-N 3.31Å; W367-R369 HydrophobicContact CE3-CG 4.13Å; W367-R369 HydrophobicContact CZ3-CB 4.42Å; W367-R369 HydrophobicContact CZ3-CG 4.28Å; W367-R369 PolarHBondContact O-N 2.75Å; W367-P371 HydrophobicContact CH2-CB 4.04Å; W367-P371 HydrophobicContact CH2-CG 4.25Å; W367-P371 HydrophobicContact CZ2-CB 3.95Å; W367-P371 HydrophobicContact CZ2-CG 4.45Å
368N74.1Confident81.9Confident100 Ų10071.7 Ų71.754%0.53537%0.367SS..  trans-71.9-0.1-173.369.2-0.9000114.9K211 S370K211-N368 PolarHBondContact NZ-O 3.07Å; N368-S370 PolarHBondContact O-N 2.89Å; N368-S370 PolarHBondContact OD1-N 3.08Å
369R78.6Confident82.9Confident24 Ų2470.4 Ų70.49%0.09136%0.358CS..SBendtrans57.130.2177.6-62.3169.6174.7-107.9-2.2113.9T205 Y213 K305 C307 W367 P371T205-R369 PolarHBondContact O-NH1 3.35Å; Y213-R369 PolarHBondContact OH-O 3.27Å; K305-R369 PolarHBondContact O-NH2 2.84Å; C307-R369 PolarHBondContact O-NH1 3.45Å; C307-R369 PolarHBondContact O-NH2 3.21Å; C307-R369 VanDerWaalsContact O-NH2 3.15Å; W367-R369 HydrophobicContact CE3-CG 4.13Å; W367-R369 HydrophobicContact CZ3-CB 4.42Å; W367-R369 HydrophobicContact CZ3-CG 4.28Å; W367-R369 PolarHBondContact O-N 2.75Å; R369-P371 WeakPolarHBondContact O-CD 3.4Å
370S78.9Confident84Confident47 Ų4766.7 Ų66.733%0.32934%0.336SS..  trans-118.281.6176.8-69.10000109.3K211 N368K211-S370 PolarHBondContact NZ-OG 2.85Å; N368-S370 PolarHBondContact O-N 2.89Å; N368-S370 PolarHBondContact OD1-N 3.08Å
371P83.3Confident85.2Confident16 Ų1668.7 Ų68.710%0.10434%0.343CS..  trans-72.8158.5-179.732-35.4000111.2I355 W367 R369 A375 L376I355-P371 HydrophobicContact CB-CG 4.32Å; I355-P371 HydrophobicContact CG1-CG 4.18Å; I355-P371 HydrophobicContact CG2-CG 4.04Å; W367-P371 HydrophobicContact CH2-CB 4.04Å; W367-P371 HydrophobicContact CH2-CG 4.25Å; W367-P371 HydrophobicContact CZ2-CB 3.95Å; W367-P371 HydrophobicContact CZ2-CG 4.45Å; R369-P371 WeakPolarHBondContact O-CD 3.4Å; P371-A375 HydrophobicContact CB-CB 4.14Å; P371-L376 HydrophobicContact CG-CD2 3.92Å
372P83.6Confident85.8Confident75 Ų7564.1 Ų64.149%0.48732%0.322SS..  trans-62.7154.8175.829.2-36000110.9E374 A375P372-E374 WeakPolarHBondContact CB-OE2 3.37Å; P372-E374 PolarHBondContact O-N 2.73Å; P372-E374 VanDerWaalsContact O-N 3.13Å; P372-A375 HydrophobicContact CG-CB 4.02Å; P372-A375 WeakPolarHBondContact O-CB 3.47Å; P372-A375 PolarHBondContact O-N 3.14Å
373R84.4Confident86.4Confident214 Ų21462.4 Ų62.481%0.80831%0.312SS*.G310 helixtrans-59.5-31-174.2-76.2-174.7174.7179.40.2112.6A375 L376R373-A375 VanDerWaalsContact C-N 3.26Å; R373-A375 PolarHBondContact O-N 2.98Å; R373-L376 WeakPolarHBondContact O-CB 3.47Å; R373-L376 PolarHBondContact O-N 3.47Å
374E86.3Confident86.9Confident161 Ų16163.1 Ų63.175%0.75232%0.315SS*.G310 helixtrans-65.7-30.1178.9-60.170.9-152.500111.7P372 L376P372-E374 WeakPolarHBondContact CB-OE2 3.37Å; P372-E374 PolarHBondContact O-N 2.73Å; P372-E374 VanDerWaalsContact O-N 3.13Å; E374-L376 VanDerWaalsContact C-N 3.33Å
375A87.4Confident87.3Confident20 Ų2062.3 Ų62.317%0.16531%0.309CS..G310 helixtrans-79.5-14.2178.800000113.3N354 P371 P372 R373 G377N354-A375 VanDerWaalsContact CB-O 3.3Å; N354-A375 WeakPolarHBondContact CB-O 3.47Å; P371-A375 HydrophobicContact CB-CB 4.14Å; P372-A375 HydrophobicContact CG-CB 4.02Å; P372-A375 WeakPolarHBondContact O-CB 3.47Å; P372-A375 PolarHBondContact O-N 3.14Å; R373-A375 VanDerWaalsContact C-N 3.26Å; R373-A375 PolarHBondContact O-N 2.98Å; A375-G377 VanDerWaalsContact C-N 3.27Å; A375-G377 PolarHBondContact O-N 3.43Å
376L90.6Very high87.9Confident15 Ų1566 Ų668%0.07933%0.325CS..G310 helixtrans-69.2-24.6-178.2-59.4-179.8000112.9Y213 I355 P371 R373 E374 N378 Y379 V381Y213-L376 HydrophobicContact CD1-CD2 3.92Å; Y213-L376 HydrophobicContact CE1-CD2 3.7Å; I355-L376 HydrophobicContact CD1-CD2 3.84Å; I355-L376 HydrophobicContact CG1-CD2 3.92Å; P371-L376 HydrophobicContact CG-CD2 3.92Å; R373-L376 WeakPolarHBondContact O-CB 3.47Å; R373-L376 PolarHBondContact O-N 3.47Å; E374-L376 VanDerWaalsContact C-N 3.33Å; L376-N378 PolarHBondContact O-N 3.36Å; L376-N378 VanDerWaalsContact O-N 3.13Å; L376-Y379 VanDerWaalsContact O-CB 3.29Å; L376-Y379 WeakPolarHBondContact O-CB 3.34Å; L376-Y379 PolarHBondContact O-N 2.98Å; L376-V381 HydrophobicContact CD1-CG2 4.24Å
377G93.1Very high88.4Confident40 Ų4062.2 Ų62.241%0.41232%0.315SS..THydrogen-bonded Turntrans54.8-118.5-174.300000111.8A375 Y379A375-G377 VanDerWaalsContact C-N 3.27Å; A375-G377 PolarHBondContact O-N 3.43Å; G377-Y379 VanDerWaalsContact C-N 3.34Å
378N95.4Very high88.9Confident53 Ų5360.3 Ų60.328%0.28332%0.315SS..THydrogen-bonded Turntrans-860.1176.5-62.8-73.8000114.1Y215 K216 L217 D351 L376Y215-N378 HydrophobicContact CD2-CB 4.01Å; Y215-N378 HydrophobicContact CE1-CB 4.46Å; Y215-N378 HydrophobicContact CE2-CB 3.42Å; Y215-N378 VanDerWaalsContact CE2-CB 3.42Å; K216-N378 VanDerWaalsContact CB-O 3.23Å; K216-N378 WeakPolarHBondContact CB-O 3.44Å; K216-N378 WeakPolarHBondContact CD-O 3.47Å; K216-N378 WeakPolarHBondContact CG-O 3.25Å; K216-N378 PolarHBondContact N-O 3.03Å; L217-N378 HydrophobicContact CG-CB 4.47Å; D351-N378 WeakPolarHBondContact OD2-CB 3.38Å; D351-N378 PolarHBondContact OD2-N 2.96Å; D351-N378 PolarHBondContact OD2-ND2 2.96Å; L376-N378 PolarHBondContact O-N 3.36Å; L376-N378 VanDerWaalsContact O-N 3.13Å
379Y96.3Very high89.5Confident3 Ų361 Ų611%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-74.2155.2168.2-75.9-80.4000111.8L203 M214 Y215 L348 D351 T352 I355 L376 G377L203-Y379 HydrophobicContact CB-CD1 4.25Å; L203-Y379 HydrophobicContact CB-CE1 3.51Å; L203-Y379 HydrophobicContact CD2-CE1 4.44Å; L203-Y379 HydrophobicContact CD2-CE2 4.37Å; M214-Y379 CarbonylContact O-C 3.57Å; M214-Y379 WeakPolarHBondContact O-CA 3.43Å; Y215-Y379 AromaticContact CD2-CD1 3.83Å; Y215-Y379 HydrophobicContact CD2-CD1 3.83Å; Y215-Y379 AromaticContact CD2-CD2 3.54Å; Y215-Y379 HydrophobicContact CD2-CD2 3.54Å; Y215-Y379 AromaticContact CD2-CE1 3.74Å; Y215-Y379 HydrophobicContact CD2-CE1 3.74Å; Y215-Y379 AromaticContact CD2-CE2 3.43Å; Y215-Y379 HydrophobicContact CD2-CE2 3.43Å; Y215-Y379 VanDerWaalsContact CD2-CE2 3.43Å; Y215-Y379 AromaticContact CD2-CG 3.74Å; Y215-Y379 HydrophobicContact CD2-CG 3.74Å; Y215-Y379 AromaticContact CD2-CZ 3.54Å; Y215-Y379 AromaticContact CE2-CD2 3.89Å; Y215-Y379 HydrophobicContact CE2-CD2 3.89Å; Y215-Y379 AromaticContact CE2-CE2 3.76Å; Y215-Y379 HydrophobicContact CE2-CE2 3.76Å; Y215-Y379 HydrophobicContact CE2-CG 4.46Å; Y215-Y379 HydrophobicContact CG-CD1 4.42Å; Y215-Y379 HydrophobicContact CG-CE1 4.13Å; Y215-Y379 HydrophobicContact CG-CE2 4.43Å; L348-Y379 HydrophobicContact CD1-CE2 4.45Å; L348-Y379 WeakPolarHBondContact CD1-OH 3.19Å; D351-Y379 HydrophobicContact CB-CD2 3.84Å; D351-Y379 HydrophobicContact CB-CE2 3.96Å; T352-Y379 PolarHBondContact OG1-OH 2.88Å; I355-Y379 HydrophobicContact CD1-CD1 4.47Å; I355-Y379 HydrophobicContact CD1-CD2 3.4Å; I355-Y379 HydrophobicContact CD1-CE2 4.16Å; I355-Y379 HydrophobicContact CD1-CG 3.59Å; L376-Y379 VanDerWaalsContact O-CB 3.29Å; L376-Y379 WeakPolarHBondContact O-CB 3.34Å; L376-Y379 PolarHBondContact O-N 2.98Å; G377-Y379 VanDerWaalsContact C-N 3.34Å
380Q94.8Very high89.8Confident69 Ų6963.2 Ų63.232%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-130.6143.316364.7-170.81400108.2Y213 M214 L382Y213-Q380 CarbonylContact C-O 3.41Å; Y213-Q380 VanDerWaalsContact CA-O 3.23Å; Y213-Q380 WeakPolarHBondContact CA-O 3.37Å; M214-Q380 HydrophobicContact CB-CG 4.02Å; M214-Q380 PolarHBondContact N-O 2.95Å; M214-Q380 PolarHBondContact O-N 2.71Å; Q380-L382 PolarHBondContact O-N 2.73Å; Q380-L382 VanDerWaalsContact O-N 3.16Å
381V95.1Very high89.9Confident72 Ų7264.2 Ų64.244%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-59.6121.6171.1-179.10000107.5Y213 L376 D384Y213-V381 HydrophobicContact CD1-CB 4.49Å; Y213-V381 HydrophobicContact CD1-CG2 3.95Å; Y213-V381 HydrophobicContact CE1-CG2 3.73Å; L376-V381 HydrophobicContact CD1-CG2 4.24Å; V381-D384 HydrophobicContact CG1-CB 4.26Å
382L95.4Very high89.7Confident28 Ų2866.4 Ų66.415%0.14735%0.349CS..EExtended strand (participates in β ladder)trans-94.2-42.8178-17964000110.4C212 M214 H287 V290 V291 Q380C212-L382 WeakPolarHBondContact O-CB 3.33Å; C212-L382 PolarHBondContact O-N 3.24Å; M214-L382 HydrophobicContact CB-CB 4.07Å; M214-L382 HydrophobicContact CB-CD1 4.25Å; M214-L382 HydrophobicContact CB-CD2 4.25Å; M214-L382 HydrophobicContact CB-CG 4.42Å; H287-L382 HydrophobicContact CB-CD1 3.66Å; V290-L382 HydrophobicContact CB-CD2 3.86Å; V290-L382 HydrophobicContact CG1-CD2 3.39Å; V291-L382 HydrophobicContact CG2-CD1 4.36Å; V291-L382 HydrophobicContact CG2-CD2 3.93Å; V291-L382 HydrophobicContact CG2-CG 3.73Å; Q380-L382 PolarHBondContact O-N 2.73Å; Q380-L382 VanDerWaalsContact O-N 3.16Å
383Y95.9Very high89.3Confident19 Ų1965.2 Ų65.28%0.07535%0.346CS..EExtended strand (participates in β ladder)trans-155.8134.1175.2-177.7-103.9000110.1L210 K211 C212 V291 K295 E385 A388 W423L210-Y383 HydrophobicContact CB-CD1 4.37Å; L210-Y383 HydrophobicContact CB-CE1 4.28Å; L210-Y383 HydrophobicContact CD2-CD1 3.86Å; L210-Y383 HydrophobicContact CD2-CE1 4.06Å; L210-Y383 HydrophobicContact CG-CD1 4Å; L210-Y383 HydrophobicContact CG-CE1 4.33Å; K211-Y383 WeakPolarHBondContact CA-O 3.32Å; C212-Y383 PolarHBondContact N-O 3.23Å; C212-Y383 PolarHBondContact O-N 2.63Å; C212-Y383 VanDerWaalsContact O-N 3.15Å; V291-Y383 HydrophobicContact CG1-CD1 4.43Å; V291-Y383 HydrophobicContact CG1-CD2 4.12Å; V291-Y383 HydrophobicContact CG1-CG 3.99Å; K295-Y383 VanDerWaalsContact CE-OH 3.32Å; K295-Y383 WeakPolarHBondContact CE-OH 3.1Å; K295-Y383 PolarHBondContact NZ-OH 3.34Å; Y383-E385 HydrophobicContact CE1-CB 3.69Å; Y383-E385 HydrophobicContact CE1-CG 4.33Å; Y383-A388 HydrophobicContact CE2-CB 3.88Å; Y383-W423 HydrophobicContact CD2-CH2 4.18Å; Y383-W423 AromaticContact CD2-CZ3 3.74Å; Y383-W423 HydrophobicContact CD2-CZ3 3.74Å; Y383-W423 AromaticContact CE2-CH2 3.98Å; Y383-W423 HydrophobicContact CE2-CH2 3.98Å; Y383-W423 AromaticContact CE2-CZ3 3.77Å; Y383-W423 HydrophobicContact CE2-CZ3 3.77Å
384D94.1Very high88.9Confident25 Ų2560.1 Ų60.113%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-126.2112.5169.3-172.3-36.5000107.7K211 V381 E386 Q387 A388K211-D384 WeakPolarHBondContact CE-OD1 3.39Å; K211-D384 WeakPolarHBondContact CE-OD2 3.31Å; V381-D384 HydrophobicContact CG1-CB 4.26Å; D384-E386 PolarHBondContact O-N 3.47Å; D384-E386 PolarHBondContact OD1-N 2.54Å; D384-Q387 HydrophobicContact CB-CB 3.98Å; D384-Q387 PolarHBondContact O-N 3.05Å; D384-Q387 PolarHBondContact OD1-N 3.48Å; D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 2.74Å
385E92.6Very high88.3Confident52 Ų5259.4 Ų59.424%0.24332%0.322CS..Hα-helixtrans-64.2-37.6-176.3-176.1165.6-142.500113.1P209 L210 Y383 A388 Q389P209-E385 WeakPolarHBondContact CA-OE2 3.36Å; P209-E385 HydrophobicContact CB-CB 4.07Å; P209-E385 HydrophobicContact CB-CG 4.5Å; L210-E385 HydrophobicContact CB-CB 4.26Å; L210-E385 PolarHBondContact N-OE2 3.01Å; L210-E385 WeakPolarHBondContact O-CB 3.4Å; L210-E385 PolarHBondContact O-N 3.02Å; Y383-E385 HydrophobicContact CE1-CB 3.69Å; Y383-E385 HydrophobicContact CE1-CG 4.33Å; E385-A388 PolarHBondContact O-N 3.17Å; E385-Q389 HydrophobicContact CG-CG 4.42Å; E385-Q389 WeakPolarHBondContact O-CB 3.34Å; E385-Q389 VanDerWaalsContact O-CG 3.26Å; E385-Q389 WeakPolarHBondContact O-CG 3.28Å; E385-Q389 PolarHBondContact O-N 3.16Å
386E90.3Very high87.6Confident92 Ų9262.6 Ų62.643%0.4334%0.336SS..Hα-helixtrans-67.7-42.3-179.6-62-177.4114.900110.4P209 K211 D384 Q389 S390P209-E386 HydrophobicContact CB-CG 3.56Å; P209-E386 VanDerWaalsContact CG-CD 3.43Å; P209-E386 HydrophobicContact CG-CG 3.42Å; P209-E386 VanDerWaalsContact CG-CG 3.42Å; K211-E386 WeakPolarHBondContact CE-OE2 3.44Å; K211-E386 IonicContact NZ-OE2 3.83Å; K211-E386 PolarHBondContact NZ-OE2 3.21Å; D384-E386 PolarHBondContact O-N 3.47Å; D384-E386 PolarHBondContact OD1-N 2.54Å; E386-Q389 PolarHBondContact O-N 3.19Å; E386-S390 WeakPolarHBondContact O-CB 3.37Å; E386-S390 PolarHBondContact O-N 3.49Å; E386-S390 PolarHBondContact O-OG 3.18Å
387Q87.9Confident86.6Confident108 Ų10867.6 Ų67.651%0.50536%0.362SS..Hα-helixtrans-64-45.4176.1-170.8-178.6-14.300110.9D384 Q389 S390 E391D384-Q387 HydrophobicContact CB-CB 3.98Å; D384-Q387 PolarHBondContact O-N 3.05Å; D384-Q387 PolarHBondContact OD1-N 3.48Å; Q387-Q389 VanDerWaalsContact C-N 3.34Å; Q387-Q389 PolarHBondContact O-N 3.48Å; Q387-S390 PolarHBondContact O-N 3.34Å; Q387-E391 HydrophobicContact CG-CG 4.49Å; Q387-E391 WeakPolarHBondContact CG-OE1 2.97Å; Q387-E391 PolarHBondContact NE2-OE1 3.21Å; Q387-E391 WeakPolarHBondContact O-CG 3.44Å; Q387-E391 PolarHBondContact O-N 3.37Å
388A88.4Confident85.6Confident33 Ų3374 Ų7427%0.27337%0.374SS..Hα-helixtrans-62.3-39.9179.400000112.6Y383 D384 E385 S392Y383-A388 HydrophobicContact CE2-CB 3.88Å; D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 2.74Å; E385-A388 PolarHBondContact O-N 3.17Å; A388-S392 WeakPolarHBondContact O-CB 3.43Å; A388-S392 PolarHBondContact O-N 3.35Å
389Q87.4Confident84.3Confident116 Ų11674.6 Ų74.654%0.54238%0.383SS..Hα-helixtrans-66.6-41.5175.8-731753.400111.6E385 E386 Q387 S392 A393E385-Q389 HydrophobicContact CG-CG 4.42Å; E385-Q389 WeakPolarHBondContact O-CB 3.34Å; E385-Q389 VanDerWaalsContact O-CG 3.26Å; E385-Q389 WeakPolarHBondContact O-CG 3.28Å; E385-Q389 PolarHBondContact O-N 3.16Å; E386-Q389 PolarHBondContact O-N 3.19Å; Q387-Q389 VanDerWaalsContact C-N 3.34Å; Q387-Q389 PolarHBondContact O-N 3.48Å; Q389-S392 PolarHBondContact O-N 3.06Å; Q389-A393 WeakPolarHBondContact O-CB 3.46Å; Q389-A393 PolarHBondContact O-N 3.37Å
390S83.8Confident82.9Confident69 Ų6983 Ų8348%0.48341%0.414SS..Hα-helixtrans-63-46.4177.3-57.80000111.8E386 Q387 S392 A393 E394E386-S390 WeakPolarHBondContact O-CB 3.37Å; E386-S390 PolarHBondContact O-N 3.49Å; E386-S390 PolarHBondContact O-OG 3.18Å; Q387-S390 PolarHBondContact O-N 3.34Å; S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.2Å; S390-A393 PolarHBondContact O-N 3.48Å; S390-E394 PolarHBondContact O-N 2.8Å
391E82.7Confident81.3Confident68 Ų6882.6 Ų82.632%0.31842%0.419SS..Hα-helixtrans-63.5-37.5177-72.3176-169.200112.4Q387 E394 R395Q387-E391 HydrophobicContact CG-CG 4.49Å; Q387-E391 WeakPolarHBondContact CG-OE1 2.97Å; Q387-E391 PolarHBondContact NE2-OE1 3.21Å; Q387-E391 WeakPolarHBondContact O-CG 3.44Å; Q387-E391 PolarHBondContact O-N 3.37Å; E391-E394 PolarHBondContact O-N 2.99Å; E391-R395 VanDerWaalsContact O-CG 3.3Å; E391-R395 WeakPolarHBondContact O-CG 3.18Å; E391-R395 PolarHBondContact O-N 3.06Å
392S78Confident79.3Confident62 Ų6281.6 Ų81.643%0.43442%0.423SS..Hα-helixtrans-64.5-44.9174.6-167.90000111.4A388 Q389 S390 E394 R395 D396A388-S392 WeakPolarHBondContact O-CB 3.43Å; A388-S392 PolarHBondContact O-N 3.35Å; Q389-S392 PolarHBondContact O-N 3.06Å; S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.2Å; S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 PolarHBondContact O-N 2.76Å; S392-R395 PolarHBondContact O-N 3.35Å; S392-D396 PolarHBondContact O-N 2.9Å
393A75.8Confident77.2Confident51 Ų5187.8 Ų87.842%0.42145%0.451SS..Hα-helixtrans-61.9-40.6177.900000111.8Q389 S390 D396 L397Q389-A393 WeakPolarHBondContact O-CB 3.46Å; Q389-A393 PolarHBondContact O-N 3.37Å; S390-A393 PolarHBondContact O-N 3.48Å; A393-D396 PolarHBondContact O-N 3.04Å; A393-L397 VanDerWaalsContact O-CG 3.32Å; A393-L397 WeakPolarHBondContact O-CG 3.39Å; A393-L397 PolarHBondContact O-N 3.37Å
394E75.6Confident74.9Confident106 Ų10694.2 Ų94.250%0.49549%0.486SS..Hα-helixtrans-63.9-41.5174.2-75.1-170.5-169.300112.8S390 E391 S392 D396 L397 R398S390-E394 PolarHBondContact O-N 2.8Å; E391-E394 PolarHBondContact O-N 2.99Å; S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 PolarHBondContact O-N 2.76Å; E394-D396 VanDerWaalsContact C-N 3.32Å; E394-D396 PolarHBondContact O-N 3.25Å; E394-L397 PolarHBondContact O-N 3.13Å; E394-R398 WeakPolarHBondContact O-CG 3.12Å; E394-R398 PolarHBondContact O-N 3.18Å; E394-R398 IonicContact OE2-NH2 2.84Å
395R74.8Confident72.6Confident146 Ų146100.9 Ų100.955%0.55152%0.521SS*.Hα-helixtrans-61.9-41.1176.3-73175.4-161.4-158.72.5111.3E391 S392 R398 S399 K424E391-R395 VanDerWaalsContact O-CG 3.3Å; E391-R395 WeakPolarHBondContact O-CG 3.18Å; E391-R395 PolarHBondContact O-N 3.06Å; S392-R395 PolarHBondContact O-N 3.35Å; R395-R398 PolarHBondContact O-N 3.37Å; R395-S399 PolarHBondContact O-N 3.36Å; R395-K424 PolarHBondContact NH2-O 3.36Å; R395-K424 VanDerWaalsContact NH2-O 3.13Å
396D72.1Confident70.3Confident88 Ų88101.2 Ų101.247%0.47154%0.538SS..Hα-helixtrans-67.8-35.7177.3-72.9-19.9000112.7S392 A393 E394 S399 R400S392-D396 PolarHBondContact O-N 2.9Å; A393-D396 PolarHBondContact O-N 3.04Å; E394-D396 VanDerWaalsContact C-N 3.32Å; E394-D396 PolarHBondContact O-N 3.25Å; D396-S399 PolarHBondContact O-OG 3.15Å; D396-R400 WeakPolarHBondContact O-CG 3.44Å; D396-R400 PolarHBondContact O-N 3.14Å; D396-R400 VanDerWaalsContact O-N 3.16Å
397L70.2Confident67.9Low119 Ų119102.4 Ų102.462%0.62356%0.557SS**Hα-helixtrans-67.4-39173.2-72.1168.3000112A393 E394 S401A393-L397 VanDerWaalsContact O-CG 3.32Å; A393-L397 WeakPolarHBondContact O-CG 3.39Å; A393-L397 PolarHBondContact O-N 3.37Å; E394-L397 PolarHBondContact O-N 3.13Å; L397-S401 WeakPolarHBondContact O-CB 3.17Å; L397-S401 PolarHBondContact O-N 3.29Å; L397-S401 PolarHBondContact O-OG 3.35Å
398R71.6Confident65.5Low175 Ų175107.4 Ų107.466%0.6658%0.577SS**Hα-helixtrans-68.3-38175.9-71.7-179.5-168.4-170.48.5112.6E394 R395 S401 G402E394-R398 WeakPolarHBondContact O-CG 3.12Å; E394-R398 PolarHBondContact O-N 3.18Å; E394-R398 IonicContact OE2-NH2 2.84Å; R395-R398 PolarHBondContact O-N 3.37Å; R398-S401 WeakPolarHBondContact CA-OG 3.39Å; R398-S401 PolarHBondContact O-OG 2.95Å; R398-S401 VanDerWaalsContact O-OG 3.1Å; R398-G402 PolarHBondContact O-N 3.16Å
399S68.5Low62.8Low66 Ų66109.6 Ų109.646%0.46260%0.603SS.*Hα-helixtrans-68.1-38.5177.570.50000112.2R395 D396 Q403R395-S399 PolarHBondContact O-N 3.36Å; D396-S399 PolarHBondContact O-OG 3.15Å; S399-Q403 PolarHBondContact O-N 3.1Å
400R66.1Low60.2Low178 Ų178109.2 Ų109.267%0.67262%0.619SS**Hα-helixtrans-69.6-39.3175.7-72.1178.7-178.4-166.12.2113.3D396 Q403D396-R400 WeakPolarHBondContact O-CG 3.44Å; D396-R400 PolarHBondContact O-N 3.14Å; D396-R400 VanDerWaalsContact O-N 3.16Å; R400-Q403 PolarHBondContact O-N 3.42Å
401S61Low58.1Low62 Ų62118.1 Ų118.143%0.43464%0.642SS.*Hα-helixtrans-71-32.7176.447.80000112.8L397 R398 Q403 L404L397-S401 WeakPolarHBondContact O-CB 3.17Å; L397-S401 PolarHBondContact O-N 3.29Å; L397-S401 PolarHBondContact O-OG 3.35Å; R398-S401 WeakPolarHBondContact CA-OG 3.39Å; R398-S401 PolarHBondContact O-OG 2.95Å; R398-S401 VanDerWaalsContact O-OG 3.1Å; S401-Q403 VanDerWaalsContact C-N 3.33Å; S401-Q403 PolarHBondContact O-N 2.85Å; S401-L404 PolarHBondContact O-N 3.49Å
402G53.1Low55.6Low50 Ų50118.3 Ų118.352%0.51566%0.663SS.*Hα-helixtrans-67-27.6172.500000114.4R398R398-G402 PolarHBondContact O-N 3.16Å
403Q52Low53.7Low158 Ų158121.3 Ų121.374%0.73868%0.683SS**Hα-helixtrans-76.1-22.8174.9-80.4-178.6-18.400113.7S399 R400 S401 L405S399-Q403 PolarHBondContact O-N 3.1Å; R400-Q403 PolarHBondContact O-N 3.42Å; S401-Q403 VanDerWaalsContact C-N 3.33Å; S401-Q403 PolarHBondContact O-N 2.85Å; Q403-L405 VanDerWaalsContact C-N 3.34Å
404L47.5Very low51.5Low155 Ų155125.4 Ų125.481%0.81270%0.703SS**THydrogen-bonded Turntrans-79.3-14178.4-80.5157.1000113.7S401S401-L404 PolarHBondContact O-N 3.49Å
405L46Very low49.6Very low164 Ų164124 Ų12486%0.85972%0.716SS**THydrogen-bonded Turntrans-108.14.2-177.7-84.4152.5000114.5Q403Q403-L405 VanDerWaalsContact C-N 3.34Å
406G44.5Very low47.4Very low59 Ų59121.6 Ų121.661%0.60873%0.728SS**  trans-141.171.5-173.500000114.1
407S38.7Very low45.2Very low118 Ų118128.7 Ų128.783%0.82575%0.748SS**  trans-136.177.1162.6-170.10000111.4
408K37.7Very low43.4Very low213 Ų213129 Ų12993%0.92676%0.758SS**  trans-152.2111.5145.1-78.8-162179.1175.30109
409G32.4Very low41.3Very low79 Ų79125.2 Ų125.281%0.81476%0.764SS**  trans125.3113.4151.900000118.3
410A32.6Very low39.5Very low107 Ų107125.8 Ų125.888%0.88477%0.772SS**  trans76.7122.4146.300000121.1
411R40Very low37.8Very low257 Ų257121.8 Ų121.897%0.9778%0.777SS**  trans-63.4141.3166.4-73.5174.2171.8169.3-3.3111.4
412G28.7Very low36.5Very low72 Ų72123.9 Ų123.974%0.74279%0.788SS**  trans-170.9108.1160.400000110.8V414G412-V414 PolarHBondContact O-N 3.02Å
413S38.9Very low36.7Very low124 Ų124128.5 Ų128.587%0.86779%0.789SS**  trans-71.2118.4173.864.40000110.5
414V30.4Very low35.8Very low138 Ų138131.5 Ų131.584%0.83680%0.8SS**  trans-140.8123.7157.2-1740000107.3G412 A416G412-V414 PolarHBondContact O-N 3.02Å; V414-A416 PolarHBondContact O-N 3.05Å
415G35.4Very low35.2Very low75 Ų75130.3 Ų130.377%0.77380%0.799SS**  trans-57.7117.7-17700000112.2R417G415-R417 PolarHBondContact O-N 3.12Å
416A27.2Very low34.6Very low97 Ų97128.5 Ų128.580%0.80280%0.796SS**  trans-76.8109.5169.700000108.9V414V414-A416 PolarHBondContact O-N 3.05Å
417R27.8Very low34.1Very low237 Ų237132.4 Ų132.489%0.89481%0.807SS**PPolyproline II helixtrans-63.1129.1158-80.4-179.5172.1-179.4-2107.9G415 A419G415-R417 PolarHBondContact O-N 3.12Å; R417-A419 PolarHBondContact O-N 3.39Å
418P30.3Very low33.8Very low126 Ų126133.2 Ų133.282%0.81881%0.806SS**PPolyproline II helixtrans-68128.3173.6-15.229.3000109.9
419A28.9Very low33.6Very low95 Ų95128.3 Ų128.379%0.78580%0.798SS**PPolyproline II helixtrans-59.5142.6167.800000109.8R417 A421R417-A419 PolarHBondContact O-N 3.39Å; A419-A421 PolarHBondContact O-N 3.36Å
420A30.7Very low33.7Very low78 Ų78131.5 Ų131.565%0.64580%0.797SS**PPolyproline II helixtrans-51.3131178.100000111T422A420-T422 HydrophobicContact CB-CG2 4.22Å; A420-T422 PolarHBondContact O-N 2.83Å
421A31Very low33.7Very low93 Ų93133.3 Ų133.377%0.76979%0.791SS**  trans-66.875.5165.700000109.1A419A419-A421 PolarHBondContact O-N 3.36Å
422T33.3Very low33.2Very low107 Ų107123.8 Ų123.866%0.65678%0.777SS**  trans-84.2128.1168.444.60000108.2A420 K424A420-T422 HydrophobicContact CB-CG2 4.22Å; A420-T422 PolarHBondContact O-N 2.83Å; T422-K424 PolarHBondContact O-N 3.37Å
423W56.5Low33.6Very low146 Ų146128.1 Ų128.155%0.55378%0.78SS**  trans-65.875.6170.2-75.677.1000111.2W288 Y383W288-W423 AromaticContact CE3-CD1 3.88Å; W288-W423 AromaticContact CE3-CE2 3.48Å; W288-W423 VanDerWaalsContact CE3-CE2 3.48Å; W288-W423 AromaticContact CE3-CZ2 3.7Å; W288-W423 HydrophobicContact CE3-CZ2 3.7Å; W288-W423 AromaticContact CE3-NE1 2.95Å; W288-W423 HydrophobicContact CH2-CZ2 4.3Å; W288-W423 AromaticContact CZ3-CE2 3.31Å; W288-W423 AromaticContact CZ3-CZ2 3.27Å; W288-W423 HydrophobicContact CZ3-CZ2 3.27Å; W288-W423 AromaticContact CZ3-NE1 2.88Å; Y383-W423 HydrophobicContact CD2-CH2 4.18Å; Y383-W423 AromaticContact CD2-CZ3 3.74Å; Y383-W423 HydrophobicContact CD2-CZ3 3.74Å; Y383-W423 AromaticContact CE2-CH2 3.98Å; Y383-W423 HydrophobicContact CE2-CH2 3.98Å; Y383-W423 AromaticContact CE2-CZ3 3.77Å; Y383-W423 HydrophobicContact CE2-CZ3 3.77Å
424K33Very low33.1Very low221 Ų221128.5 Ų128.596%0.96177%0.772SS**  trans-136.70157.8-78.4-164.6176-175.40110.4R395 T422R395-K424 PolarHBondContact NH2-O 3.36Å; R395-K424 VanDerWaalsContact NH2-O 3.13Å; T422-K424 PolarHBondContact O-N 3.37Å

Retrieved 424 of 424 residues in 736.9 ms (Link to these results)

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