A0A3Q0KJQ1_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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
1M29.4Very low64.4Low214 Ų21486.9 Ų86.9100%1.05450%0.503SS*.  0105.30-80.1178.9-111.400107.8S3M1-S3 PolarHBondContact O-N 2.94Å
2A30.8Very low66.6Low78 Ų7884.1 Ų84.165%0.64549%0.492SS*.  trans-57.9115.2170.800000107.4S4A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 2.81Å
3S40Very low68.5Low84 Ų8477.8 Ų77.859%0.58746%0.455SS*.  trans-63.494.517548.30000107.2M1 I5M1-S3 PolarHBondContact O-N 2.94Å; S3-I5 PolarHBondContact O-N 2.87Å
4S43Very low70.1Confident81 Ų8174.9 Ų74.957%0.56644%0.437SS*.  trans-47.9117167.341.20000107A2 N6A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 2.81Å; S4-N6 PolarHBondContact O-N 3.33Å; S4-N6 PolarHBondContact OG-ND2 2.87Å; S4-N6 VanDerWaalsContact OG-ND2 3.16Å
5I59.2Low71.4Confident119 Ų11973.5 Ų73.561%0.6142%0.421SS*.  trans-66.681.8177.7-62.1175.4000106.4S3 Y31S3-I5 PolarHBondContact O-N 2.87Å; I5-Y31 HydrophobicContact CG2-CD1 3.29Å; I5-Y31 HydrophobicContact CG2-CE1 3.33Å; I5-Y31 HydrophobicContact CG2-CG 4.43Å
6N76.1Confident72.5Confident94 Ų9470.4 Ų70.450%0.50340%0.403SS..  trans-86.4118.2179.4-69.2-26.9000107S4 L8 Y31 G32S4-N6 PolarHBondContact O-N 3.33Å; S4-N6 PolarHBondContact OG-ND2 2.87Å; S4-N6 VanDerWaalsContact OG-ND2 3.16Å; N6-L8 PolarHBondContact O-N 3.15Å; N6-Y31 CarbonylContact O-C 3.46Å; N6-Y31 WeakPolarHBondContact O-CA 3.37Å; N6-G32 PolarHBondContact O-N 2.95Å
7I81.9Confident73Confident101 Ų10167 Ų6752%0.51838%0.384SS..EExtended strand (participates in β ladder)trans-78.4120.7173.1-62.2170.9000107.2A10 V29 Y31I7-A10 HydrophobicContact CG2-CB 4.1Å; I7-V29 HydrophobicContact CD1-CG1 4.43Å; I7-V29 HydrophobicContact CG1-CG1 4.28Å; I7-V29 HydrophobicContact CG2-CG1 3.91Å; I7-Y31 HydrophobicContact CD1-CE1 4.41Å; I7-Y31 HydrophobicContact CG1-CD1 3.95Å; I7-Y31 HydrophobicContact CG1-CE1 3.75Å
8L83.2Confident73.1Confident81 Ų8169.3 Ų69.342%0.42440%0.4SS..EExtended strand (participates in β ladder)trans-80.2-46175.8-70.3177.1000111N6 L30 V108N6-L8 PolarHBondContact O-N 3.15Å; L8-L30 HydrophobicContact CB-CD2 4.48Å; L8-L30 HydrophobicContact CB-CG 4.42Å; L8-L30 HydrophobicContact CD1-CD2 4.35Å; L8-L30 HydrophobicContact CD1-CG 4.35Å; L8-L30 PolarHBondContact N-O 3.38Å; L8-V108 HydrophobicContact CD1-CG2 3.41Å; L8-V108 VanDerWaalsContact CD1-CG2 3.41Å
9K87.2Confident73Confident41 Ų4175.5 Ų75.518%0.17842%0.422CS..EExtended strand (participates in β ladder)trans-153.4139.1179.4-170.1170.6172.273.20110.2L30 V100 W101K9-L30 PolarHBondContact N-O 3.4Å; K9-L30 PolarHBondContact O-N 3.37Å; K9-V100 HydrophobicContact CD-CG1 3.79Å; K9-W101 HydrophobicContact CB-CH2 4.02Å; K9-W101 HydrophobicContact CB-CZ3 4.07Å; K9-W101 HydrophobicContact CD-CD2 3.79Å; K9-W101 HydrophobicContact CD-CE3 4Å; K9-W101 HydrophobicContact CD-CG 4.3Å; K9-W101 HydrophobicContact CD-CH2 4.23Å; K9-W101 HydrophobicContact CD-CZ2 4.03Å; K9-W101 HydrophobicContact CD-CZ3 4.21Å; K9-W101 VanDerWaalsContact CE-CE2 3.42Å; K9-W101 VanDerWaalsContact CE-NE1 3.35Å; K9-W101 HydrophobicContact CG-CD2 4.45Å; K9-W101 HydrophobicContact CG-CE3 4.44Å; K9-W101 HydrophobicContact CG-CH2 3.83Å; K9-W101 HydrophobicContact CG-CZ2 3.82Å; K9-W101 HydrophobicContact CG-CZ3 4.14Å
10A89.1Confident73.2Confident39 Ų3976.3 Ų76.332%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-138.1132.4171.100000109.1I7 W27 L28 V29I7-A10 HydrophobicContact CG2-CB 4.1Å; A10-W27 HydrophobicContact CB-CZ2 3.71Å; A10-L28 VanDerWaalsContact CA-O 3.26Å; A10-L28 WeakPolarHBondContact CA-O 3.29Å; A10-V29 HydrophobicContact CB-CB 4.5Å; A10-V29 HydrophobicContact CB-CG1 4.28Å; A10-V29 HydrophobicContact CB-CG2 4.06Å
11D88.9Confident73.5Confident24 Ų2480.6 Ų80.613%0.12844%0.439CS..EExtended strand (participates in β ladder)trans-158.3158.3-179.3-157.7-5.2000112W27 L28 Q93 W101D11-W27 VanDerWaalsContact C-CE3 3.43Å; D11-L28 PolarHBondContact N-O 3.21Å; D11-L28 PolarHBondContact O-N 3.45Å; D11-Q93 PolarHBondContact OD1-NE2 3.49Å; D11-Q93 VanDerWaalsContact OD1-NE2 3.09Å; D11-W101 HydrophobicContact CB-CZ2 3.67Å
12S90.4Very high76.1Confident53 Ų5378.3 Ų78.337%0.37142%0.419SS..EExtended strand (participates in β ladder)trans-81.5117.2172.6-179.20000109.4Q93S12-Q93 PolarHBondContact O-NE2 2.51Å
13V90.9Very high78.8Confident2 Ų277 Ų771%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-125.1162.8-179.3-60.10000110.2A26 L28 F79 F90V13-A26 PolarHBondContact N-O 3.14Å; V13-A26 PolarHBondContact O-N 2.96Å; V13-L28 HydrophobicContact CG1-CB 4.46Å; V13-L28 HydrophobicContact CG2-CB 3.62Å; V13-L28 HydrophobicContact CG2-CD2 4.23Å; V13-L28 HydrophobicContact CG2-CG 4.5Å; V13-F79 HydrophobicContact CG1-CE1 4.4Å; V13-F79 HydrophobicContact CG1-CZ 4.22Å; V13-F90 HydrophobicContact CG2-CD1 3.84Å
14L90.7Very high81.1Confident37 Ų3777.6 Ų77.619%0.19439%0.389CS..EExtended strand (participates in β ladder)trans-94.7128.7167.1-62.4170.3000108.4W23 K24 P25 P70 F90 C91L14-W23 HydrophobicContact CB-CB 4.3Å; L14-W23 HydrophobicContact CB-CD2 4.48Å; L14-W23 HydrophobicContact CB-CE3 3.82Å; L14-W23 VanDerWaalsContact O-CZ3 3.27Å; L14-W23 WeakPolarHBondContact O-CZ3 3.48Å; L14-K24 CarbonylContact C-O 3.59Å; L14-K24 VanDerWaalsContact CA-O 3.29Å; L14-K24 WeakPolarHBondContact CA-O 3.31Å; L14-P25 HydrophobicContact CD2-CB 4.44Å; L14-P70 HydrophobicContact CD1-CB 4.05Å; L14-P70 HydrophobicContact CD1-CG 3.65Å; L14-F90 CarbonylContact O-C 3.54Å; L14-F90 WeakPolarHBondContact O-CA 3.5Å; L14-C91 HydrophobicContact CB-CB 4.16Å; L14-C91 PolarHBondContact N-O 3.04Å; L14-C91 PolarHBondContact O-N 3.08Å
15R90.3Very high83.3Confident55 Ų5577.9 Ų77.921%0.20839%0.389CS..EExtended strand (participates in β ladder)trans-100.7137.4174.3-173.7-176.575.6115.8-7.2110.4W23 K24 A26 Y38 F90R15-W23 CarbonylContact O-C 3.52Å; R15-W23 WeakPolarHBondContact O-CA 3.22Å; R15-K24 PolarHBondContact N-O 2.7Å; R15-K24 PolarHBondContact O-N 3.15Å; R15-A26 HydrophobicContact CB-CB 3.93Å; R15-Y38 PolarHBondContact NH1-OH 2.84Å; R15-Y38 VanDerWaalsContact NH1-OH 3.15Å; R15-F90 HydrophobicContact CB-CD1 3.94Å; R15-F90 HydrophobicContact CB-CE1 3.94Å; R15-F90 HydrophobicContact CG-CD1 3.97Å; R15-F90 HydrophobicContact CG-CE1 3.63Å; R15-F90 HydrophobicContact CG-CZ 4.46Å
16L88.3Confident84.8Confident24 Ų2472.4 Ų72.413%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-79.2121.1171.2-169.366.5000109.9K21 W23 I67 Y89L16-K21 VanDerWaalsContact CD1-C 3.48Å; L16-K21 HydrophobicContact CD1-CB 4.45Å; L16-K21 WeakPolarHBondContact CD1-O 3.47Å; L16-W23 HydrophobicContact CB-CD2 4.45Å; L16-W23 HydrophobicContact CB-CE3 4.09Å; L16-W23 HydrophobicContact CB-CH2 4.11Å; L16-W23 HydrophobicContact CB-CZ2 4.48Å; L16-W23 HydrophobicContact CB-CZ3 3.89Å; L16-W23 HydrophobicContact CD1-CD2 4.07Å; L16-W23 HydrophobicContact CD1-CG 4.39Å; L16-W23 HydrophobicContact CD1-CZ2 4.29Å; L16-I67 HydrophobicContact CD2-CD1 3.91Å; L16-I67 HydrophobicContact CD2-CG1 4.12Å; L16-I67 HydrophobicContact CD2-CG2 3.97Å; L16-Y89 HydrophobicContact CD2-CD2 4.17Å; L16-Y89 HydrophobicContact CD2-CG 4.44Å; L16-Y89 PolarHBondContact N-O 3.39Å
17S82.4Confident85.5Confident12 Ų1270.9 Ų70.98%0.08435%0.349CS..PPolyproline II helixtrans-68.2134.6174.371.10000110.7F19 L20 K21 R22S17-F19 PolarHBondContact O-N 3.45Å; S17-L20 PolarHBondContact OG-N 2.77Å; S17-K21 VanDerWaalsContact O-CA 3.22Å; S17-K21 WeakPolarHBondContact O-CA 3.4Å; S17-K21 PolarHBondContact O-N 2.76Å; S17-K21 PolarHBondContact OG-N 3.49Å; S17-K21 VanDerWaalsContact OG-N 3.15Å; S17-R22 PolarHBondContact N-O 2.82Å; S17-R22 PolarHBondContact OG-N 2.99Å; S17-R22 PolarHBondContact OG-O 2.75Å
18T74.2Confident86Confident108 Ų10866 Ų6666%0.66332%0.324SS*.THydrogen-bonded Turntrans-63.6-39.5178.850.60000113.2
19F71.6Confident86.3Confident187 Ų18762.5 Ų62.582%0.8231%0.305SS*.THydrogen-bonded Turntrans-82.5-51.1-175.4-169.9-105.5000113.6S17S17-F19 PolarHBondContact O-N 3.45Å
20L75.9Confident86.3Confident92 Ų9260.5 Ų60.548%0.48230%0.297SS..THydrogen-bonded Turntrans-94.9-3.5-174.2-63.9177.2000113.9S17 R22S17-L20 PolarHBondContact OG-N 2.77Å; L20-R22 HydrophobicContact CB-CB 4.47Å; L20-R22 HydrophobicContact CB-CG 4.07Å; L20-R22 WeakPolarHBondContact O-CG 3.38Å; L20-R22 PolarHBondContact O-N 3.24Å; L20-R22 VanDerWaalsContact O-N 3.08Å
21K79.7Confident86.1Confident167 Ų16760 Ų6073%0.72629%0.287SS*.  trans45.836.4-171.3-61.9-174.2177.7-176.80113.5L16 S17L16-K21 VanDerWaalsContact CD1-C 3.48Å; L16-K21 HydrophobicContact CD1-CB 4.45Å; L16-K21 WeakPolarHBondContact CD1-O 3.47Å; S17-K21 VanDerWaalsContact O-CA 3.22Å; S17-K21 WeakPolarHBondContact O-CA 3.4Å; S17-K21 PolarHBondContact O-N 2.76Å; S17-K21 PolarHBondContact OG-N 3.49Å; S17-K21 VanDerWaalsContact OG-N 3.15Å
22R84.2Confident85.5Confident166 Ų16660.1 Ų60.163%0.62629%0.294SS*.  trans-102.9141.6176.3-67.8-179.1-173-173.51.2110.4S17 L20S17-R22 PolarHBondContact N-O 2.82Å; S17-R22 PolarHBondContact OG-N 2.99Å; S17-R22 PolarHBondContact OG-O 2.75Å; L20-R22 HydrophobicContact CB-CB 4.47Å; L20-R22 HydrophobicContact CB-CG 4.07Å; L20-R22 WeakPolarHBondContact O-CG 3.38Å; L20-R22 PolarHBondContact O-N 3.24Å; L20-R22 VanDerWaalsContact O-N 3.08Å
23W87Confident84.6Confident51 Ų5160.7 Ų60.719%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-74.9126.3171.4-67105.3000110.2L14 R15 L16 I67 D68 P70 I78 C91L14-W23 HydrophobicContact CB-CB 4.3Å; L14-W23 HydrophobicContact CB-CD2 4.48Å; L14-W23 HydrophobicContact CB-CE3 3.82Å; L14-W23 VanDerWaalsContact O-CZ3 3.27Å; L14-W23 WeakPolarHBondContact O-CZ3 3.48Å; R15-W23 CarbonylContact O-C 3.52Å; R15-W23 WeakPolarHBondContact O-CA 3.22Å; L16-W23 HydrophobicContact CB-CD2 4.45Å; L16-W23 HydrophobicContact CB-CE3 4.09Å; L16-W23 HydrophobicContact CB-CH2 4.11Å; L16-W23 HydrophobicContact CB-CZ2 4.48Å; L16-W23 HydrophobicContact CB-CZ3 3.89Å; L16-W23 HydrophobicContact CD1-CD2 4.07Å; L16-W23 HydrophobicContact CD1-CG 4.39Å; L16-W23 HydrophobicContact CD1-CZ2 4.29Å; W23-I67 HydrophobicContact CH2-CG2 4.27Å; W23-I67 HydrophobicContact CZ2-CG2 3.53Å; W23-D68 PolarHBondContact NE1-O 2.96Å; W23-P70 HydrophobicContact CB-CG 4.42Å; W23-P70 HydrophobicContact CD2-CG 3.95Å; W23-P70 HydrophobicContact CG-CG 3.82Å; W23-I78 HydrophobicContact CH2-CG1 4.38Å; W23-I78 HydrophobicContact CH2-CG2 4.25Å; W23-I78 HydrophobicContact CZ2-CD1 4.14Å; W23-I78 HydrophobicContact CZ2-CG1 4.35Å; W23-C91 HydrophobicContact CE3-CB 4.04Å; W23-C91 HydrophobicContact CH2-CB 3.81Å; W23-C91 HydrophobicContact CZ2-CB 4.39Å; W23-C91 HydrophobicContact CZ3-CB 3.62Å
24K88.7Confident84.1Confident96 Ų9660.6 Ų60.642%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-123.9144175.4-67.7-171.7174.7-168.40110.1L14 R15 A26L14-K24 CarbonylContact C-O 3.59Å; L14-K24 VanDerWaalsContact CA-O 3.29Å; L14-K24 WeakPolarHBondContact CA-O 3.31Å; R15-K24 PolarHBondContact N-O 2.7Å; R15-K24 PolarHBondContact O-N 3.15Å; K24-A26 PolarHBondContact O-N 2.9Å
25P89.2Confident83.7Confident87 Ų8761.1 Ų61.157%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-58.5139.8169.727.8-34000110L14L14-P25 HydrophobicContact CD2-CB 4.44Å
26A91.5Very high83.5Confident4 Ų458.5 Ų58.53%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-148.6144.3174.800000108.9V13 R15 K24 Y38 F39V13-A26 PolarHBondContact N-O 3.14Å; V13-A26 PolarHBondContact O-N 2.96Å; R15-A26 HydrophobicContact CB-CB 3.93Å; K24-A26 PolarHBondContact O-N 2.9Å; A26-Y38 HydrophobicContact CB-CD2 4.45Å; A26-F39 CarbonylContact C-O 3.46Å; A26-F39 VanDerWaalsContact CA-O 3.24Å; A26-F39 WeakPolarHBondContact CA-O 3.28Å
27W90Very high83.4Confident61 Ų6160.9 Ų60.923%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-95.2115.5171.6-176.7-105.2000108.7A10 D11 V29 Y38 F39 K42A10-W27 HydrophobicContact CB-CZ2 3.71Å; D11-W27 VanDerWaalsContact C-CE3 3.43Å; W27-V29 VanDerWaalsContact CD1-CG2 3.5Å; W27-Y38 CarbonylContact O-C 3.53Å; W27-Y38 VanDerWaalsContact O-CA 3.28Å; W27-Y38 WeakPolarHBondContact O-CA 2.95Å; W27-F39 HydrophobicContact CB-CB 4.2Å; W27-F39 PolarHBondContact N-O 3.2Å; W27-F39 PolarHBondContact O-N 3.25Å; W27-K42 HydrophobicContact CD2-CB 4.44Å; W27-K42 HydrophobicContact CD2-CG 4.39Å
28L91.7Very high83.6Confident0 Ų061.4 Ų61.40%029%0.292CS..EExtended strand (participates in β ladder)trans-104.2130.2-175.7-171.369.1000109.6A10 D11 V13 L36 F79 F90 W101A10-L28 VanDerWaalsContact CA-O 3.26Å; A10-L28 WeakPolarHBondContact CA-O 3.29Å; D11-L28 PolarHBondContact N-O 3.21Å; D11-L28 PolarHBondContact O-N 3.45Å; V13-L28 HydrophobicContact CG1-CB 4.46Å; V13-L28 HydrophobicContact CG2-CB 3.62Å; V13-L28 HydrophobicContact CG2-CD2 4.23Å; V13-L28 HydrophobicContact CG2-CG 4.5Å; L28-L36 HydrophobicContact CD1-CD1 3.74Å; L28-L36 HydrophobicContact CD1-CD2 4.1Å; L28-L36 HydrophobicContact CD1-CG 3.83Å; L28-L36 HydrophobicContact CD2-CD1 4.16Å; L28-L36 HydrophobicContact CG-CD1 3.83Å; L28-L36 HydrophobicContact CG-CG 4.47Å; L28-F79 HydrophobicContact CD2-CE2 4.08Å; L28-F79 HydrophobicContact CD2-CZ 4.01Å; L28-F90 HydrophobicContact CD1-CE1 3.98Å; L28-F90 HydrophobicContact CD1-CE2 4.44Å; L28-F90 HydrophobicContact CD1-CZ 3.84Å; L28-F90 HydrophobicContact CD2-CD1 4.41Å; L28-F90 HydrophobicContact CD2-CD2 4.41Å; L28-F90 HydrophobicContact CD2-CE1 4.46Å; L28-F90 HydrophobicContact CD2-CE2 4.47Å; L28-F90 HydrophobicContact CD2-CG 4.37Å; L28-F90 HydrophobicContact CD2-CZ 4.48Å; L28-W101 HydrophobicContact CB-CH2 4.14Å; L28-W101 HydrophobicContact CB-CZ2 4.23Å; L28-W101 HydrophobicContact CD2-CD2 4.33Å; L28-W101 HydrophobicContact CD2-CE3 4.12Å; L28-W101 HydrophobicContact CD2-CH2 3.91Å; L28-W101 HydrophobicContact CD2-CZ2 4.11Å; L28-W101 HydrophobicContact CD2-CZ3 3.91Å; L28-W101 HydrophobicContact CG-CH2 3.92Å; L28-W101 HydrophobicContact CG-CZ2 4.36Å; L28-W101 HydrophobicContact CG-CZ3 4.2Å
29V89.8Confident84.3Confident6 Ų657.2 Ų57.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-129.1124.3-178.7-1730000109.5I7 A10 W27 Y31 R37 F39I7-V29 HydrophobicContact CD1-CG1 4.43Å; I7-V29 HydrophobicContact CG1-CG1 4.28Å; I7-V29 HydrophobicContact CG2-CG1 3.91Å; A10-V29 HydrophobicContact CB-CB 4.5Å; A10-V29 HydrophobicContact CB-CG1 4.28Å; A10-V29 HydrophobicContact CB-CG2 4.06Å; W27-V29 VanDerWaalsContact CD1-CG2 3.5Å; V29-Y31 HydrophobicContact CB-CE2 4.17Å; V29-Y31 HydrophobicContact CG1-CD2 4.26Å; V29-Y31 HydrophobicContact CG1-CE1 4.15Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; V29-R37 PolarHBondContact N-O 3.08Å; V29-R37 PolarHBondContact O-N 3.01Å; V29-F39 HydrophobicContact CB-CE2 4.28Å; V29-F39 HydrophobicContact CG2-CD2 4.13Å; V29-F39 HydrophobicContact CG2-CE2 3.79Å
30L88.5Confident84.9Confident0 Ų053.1 Ų53.10%025%0.247CC..EExtended strand (participates in β ladder)trans-108.4126.2174.1179.766.9000109.8L8 K9 L36 V53 W101 A104 L105 V108L8-L30 HydrophobicContact CB-CD2 4.48Å; L8-L30 HydrophobicContact CB-CG 4.42Å; L8-L30 HydrophobicContact CD1-CD2 4.35Å; L8-L30 HydrophobicContact CD1-CG 4.35Å; L8-L30 PolarHBondContact N-O 3.38Å; K9-L30 PolarHBondContact N-O 3.4Å; K9-L30 PolarHBondContact O-N 3.37Å; L30-L36 HydrophobicContact CB-CD1 3.89Å; L30-L36 HydrophobicContact CD1-CB 4.17Å; L30-L36 HydrophobicContact CD1-CD1 3.92Å; L30-L36 HydrophobicContact CG-CD1 4.48Å; L30-V53 HydrophobicContact CD1-CG2 4.45Å; L30-W101 HydrophobicContact CB-CZ3 3.87Å; L30-A104 HydrophobicContact CD2-CB 3.68Å; L30-L105 HydrophobicContact CD1-CD2 4.27Å; L30-L105 HydrophobicContact CD2-CD2 4.48Å; L30-V108 HydrophobicContact CD1-CB 4.48Å; L30-V108 HydrophobicContact CD1-CG1 4.25Å; L30-V108 HydrophobicContact CD1-CG2 4.08Å; L30-V108 HydrophobicContact CD2-CG2 3.95Å; L30-V108 HydrophobicContact CG-CG2 4.16Å
31Y83.5Confident85Confident27 Ų2751 Ų5111%0.10624%0.24CC..EExtended strand (participates in β ladder)trans-100.7150.3179.5-64.1-85.2000111I5 N6 I7 V29 N33 G34 E35 R37I5-Y31 HydrophobicContact CG2-CD1 3.29Å; I5-Y31 HydrophobicContact CG2-CE1 3.33Å; I5-Y31 HydrophobicContact CG2-CG 4.43Å; N6-Y31 CarbonylContact O-C 3.46Å; N6-Y31 WeakPolarHBondContact O-CA 3.37Å; I7-Y31 HydrophobicContact CD1-CE1 4.41Å; I7-Y31 HydrophobicContact CG1-CD1 3.95Å; I7-Y31 HydrophobicContact CG1-CE1 3.75Å; V29-Y31 HydrophobicContact CB-CE2 4.17Å; V29-Y31 HydrophobicContact CG1-CD2 4.26Å; V29-Y31 HydrophobicContact CG1-CE1 4.15Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; Y31-N33 WeakPolarHBondContact CB-OD1 3.27Å; Y31-N33 PolarHBondContact O-N 2.82Å; Y31-G34 WeakPolarHBondContact O-CA 3.47Å; Y31-G34 PolarHBondContact O-N 3.47Å; Y31-E35 HydrophobicContact CD2-CB 4.16Å; Y31-E35 WeakPolarHBondContact CD2-O 3.23Å; Y31-E35 PolarHBondContact N-O 2.88Å; Y31-R37 HydrophobicContact CD2-CG 4.24Å; Y31-R37 HydrophobicContact CE2-CB 4.16Å; Y31-R37 HydrophobicContact CE2-CG 3.75Å
32G77.9Confident84.7Confident27 Ų2750.1 Ų50.128%0.27824%0.237SC..THydrogen-bonded Turntrans-70.1-9.6-179.600000114.7N6 M111N6-G32 PolarHBondContact O-N 2.95Å; G32-M111 WeakPolarHBondContact O-CE 3.42Å; G32-M111 VanDerWaalsContact O-SD 3.4Å
33N70.1Confident84.2Confident65 Ų6548.2 Ų48.235%0.34824%0.239SC..THydrogen-bonded Turntrans-81.7-6.5167.766.6-9.2000112.7Y31 E35Y31-N33 WeakPolarHBondContact CB-OD1 3.27Å; Y31-N33 PolarHBondContact O-N 2.82Å; N33-E35 PolarHBondContact ND2-OE2 3.09Å; N33-E35 WeakPolarHBondContact OD1-CB 3.3Å; N33-E35 PolarHBondContact OD1-N 2.87Å
34G81.4Confident83.6Confident0 Ų048.7 Ų48.70%025%0.245CC..SBendtrans92.910.3179.300000115.6Y31 V53 P54Y31-G34 WeakPolarHBondContact O-CA 3.47Å; Y31-G34 PolarHBondContact O-N 3.47Å; G34-V53 WeakPolarHBondContact O-CB 3.48Å; G34-V53 PolarHBondContact O-N 3.39Å; G34-P54 WeakPolarHBondContact O-CD 3.31Å
35E80.9Confident82.8Confident48 Ų4854.9 Ų54.922%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-79.9132.1170.6-66.1-176.8159.100111.1Y31 N33 R37 T50 I51Y31-E35 HydrophobicContact CD2-CB 4.16Å; Y31-E35 WeakPolarHBondContact CD2-O 3.23Å; Y31-E35 PolarHBondContact N-O 2.88Å; N33-E35 PolarHBondContact ND2-OE2 3.09Å; N33-E35 WeakPolarHBondContact OD1-CB 3.3Å; N33-E35 PolarHBondContact OD1-N 2.87Å; E35-R37 IonicContact OE2-CZ 3.18Å; E35-R37 IonicContact OE2-NE 3.2Å; E35-R37 PolarHBondContact OE2-NE 3.46Å; E35-R37 IonicContact OE2-NH2 2.93Å; E35-R37 PolarHBondContact OE2-NH2 2.88Å; E35-T50 HydrophobicContact CB-CG2 4.44Å; E35-I51 WeakPolarHBondContact CA-O 3.23Å
36L86.3Confident82.1Confident0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans-111.5123.1169.3-176.677.1000108.4L28 L30 T50 I51 V53 L81 W101 L105L28-L36 HydrophobicContact CD1-CD1 3.74Å; L28-L36 HydrophobicContact CD1-CD2 4.1Å; L28-L36 HydrophobicContact CD1-CG 3.83Å; L28-L36 HydrophobicContact CD2-CD1 4.16Å; L28-L36 HydrophobicContact CG-CD1 3.83Å; L28-L36 HydrophobicContact CG-CG 4.47Å; L30-L36 HydrophobicContact CB-CD1 3.89Å; L30-L36 HydrophobicContact CD1-CB 4.17Å; L30-L36 HydrophobicContact CD1-CD1 3.92Å; L30-L36 HydrophobicContact CG-CD1 4.48Å; L36-T50 WeakPolarHBondContact O-CA 3.24Å; L36-I51 HydrophobicContact CB-CD1 4.38Å; L36-I51 HydrophobicContact CB-CG1 3.8Å; L36-I51 HydrophobicContact CD2-CD1 3.92Å; L36-I51 HydrophobicContact CD2-CG1 4.21Å; L36-I51 HydrophobicContact CG-CG1 4.49Å; L36-I51 PolarHBondContact N-O 2.65Å; L36-I51 PolarHBondContact O-N 3.45Å; L36-V53 HydrophobicContact CB-CG2 3.62Å; L36-V53 HydrophobicContact CD2-CG2 4.45Å; L36-L81 HydrophobicContact CD2-CD2 3.45Å; L36-L81 VanDerWaalsContact CD2-CD2 3.45Å; L36-W101 HydrophobicContact CD1-CZ3 4.39Å; L36-L105 HydrophobicContact CD1-CD2 4.26Å; L36-L105 HydrophobicContact CD2-CD2 4.14Å
37R86.5Confident81.4Confident75 Ų7557.1 Ų57.128%0.28328%0.282SS..EExtended strand (participates in β ladder)trans-121.4140.4179.6-57.2-166.7-168.9176-2109.9V29 Y31 E35 F39 A47 A49 T50V29-R37 PolarHBondContact N-O 3.08Å; V29-R37 PolarHBondContact O-N 3.01Å; Y31-R37 HydrophobicContact CD2-CG 4.24Å; Y31-R37 HydrophobicContact CE2-CB 4.16Å; Y31-R37 HydrophobicContact CE2-CG 3.75Å; E35-R37 IonicContact OE2-CZ 3.18Å; E35-R37 IonicContact OE2-NE 3.2Å; E35-R37 PolarHBondContact OE2-NE 3.46Å; E35-R37 IonicContact OE2-NH2 2.93Å; E35-R37 PolarHBondContact OE2-NH2 2.88Å; R37-F39 HydrophobicContact CB-CE2 3.96Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; R37-A47 HydrophobicContact CB-CB 4.01Å; R37-A47 HydrophobicContact CG-CB 4.45Å; R37-A49 WeakPolarHBondContact CA-O 3.39Å; R37-T50 WeakPolarHBondContact CD-OG1 3.32Å; R37-T50 HydrophobicContact CG-CG2 3.73Å; R37-T50 WeakPolarHBondContact CG-OG1 3.49Å
38Y87.9Confident81Confident23 Ų2359.9 Ų59.99%0.0930%0.295CS..EExtended strand (participates in β ladder)trans-120.9144168.379.7-93.8000112.1R15 A26 W27 K48 A49 W88R15-Y38 PolarHBondContact NH1-OH 2.84Å; R15-Y38 VanDerWaalsContact NH1-OH 3.15Å; A26-Y38 HydrophobicContact CB-CD2 4.45Å; W27-Y38 CarbonylContact O-C 3.53Å; W27-Y38 VanDerWaalsContact O-CA 3.28Å; W27-Y38 WeakPolarHBondContact O-CA 2.95Å; Y38-K48 HydrophobicContact CD2-CB 3.94Å; Y38-K48 HydrophobicContact CE2-CB 3.3Å; Y38-K48 HydrophobicContact CE2-CG 4.08Å; Y38-K48 PolarHBondContact O-N 3Å; Y38-A49 HydrophobicContact CD1-CB 4.19Å; Y38-A49 HydrophobicContact CE1-CB 3.48Å; Y38-A49 VanDerWaalsContact CE1-CB 3.48Å; Y38-A49 PolarHBondContact N-O 3.16Å; Y38-W88 HydrophobicContact CD1-CE3 4.28Å; Y38-W88 AromaticContact CD1-CH2 3.65Å; Y38-W88 HydrophobicContact CD1-CH2 3.65Å; Y38-W88 AromaticContact CD1-CZ3 3.39Å; Y38-W88 HydrophobicContact CD1-CZ3 3.39Å; Y38-W88 HydrophobicContact CE1-CE3 4.41Å; Y38-W88 AromaticContact CE1-CH2 3.44Å; Y38-W88 HydrophobicContact CE1-CH2 3.44Å; Y38-W88 VanDerWaalsContact CE1-CH2 3.44Å; Y38-W88 HydrophobicContact CE1-CZ2 4.13Å; Y38-W88 AromaticContact CE1-CZ3 3.61Å; Y38-W88 HydrophobicContact CE1-CZ3 3.61Å
39F87.8Confident80.5Confident20 Ų2061.2 Ų61.29%0.08831%0.306CS..EExtended strand (participates in β ladder)trans-118.5155.3178.5-53.9-99.5000108.7A26 W27 V29 R37 S41 D44 A47A26-F39 CarbonylContact C-O 3.46Å; A26-F39 VanDerWaalsContact CA-O 3.24Å; A26-F39 WeakPolarHBondContact CA-O 3.28Å; W27-F39 HydrophobicContact CB-CB 4.2Å; W27-F39 PolarHBondContact N-O 3.2Å; W27-F39 PolarHBondContact O-N 3.25Å; V29-F39 HydrophobicContact CB-CE2 4.28Å; V29-F39 HydrophobicContact CG2-CD2 4.13Å; V29-F39 HydrophobicContact CG2-CE2 3.79Å; R37-F39 HydrophobicContact CB-CE2 3.96Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; F39-S41 VanDerWaalsContact CB-O 3.3Å; F39-S41 WeakPolarHBondContact CB-O 3.45Å; F39-D44 HydrophobicContact CB-CB 4.24Å; F39-D44 HydrophobicContact CD1-CB 4.33Å; F39-D44 VanDerWaalsContact CD1-O 3.23Å; F39-D44 WeakPolarHBondContact CD1-O 3.43Å; F39-A47 HydrophobicContact CD1-CB 4.21Å; F39-A47 HydrophobicContact CE1-CB 3.76Å; F39-A47 VanDerWaalsContact CE1-N 3.34Å; F39-A47 HydrophobicContact CE2-CB 4.47Å; F39-A47 HydrophobicContact CZ-CB 3.9Å
40E83.5Confident80.1Confident100 Ų10064.1 Ų64.147%0.46732%0.324SS..SBendtrans-78.6-37.7-180178.3164.4-148.200110.6D44 K48E40-D44 WeakPolarHBondContact CA-OD2 3.2Å; E40-D44 VanDerWaalsContact CB-OD2 3.31Å; E40-D44 WeakPolarHBondContact CB-OD2 3.34Å; E40-D44 PolarHBondContact N-OD2 3.15Å; E40-K48 HydrophobicContact CB-CG 4.32Å; E40-K48 WeakPolarHBondContact OE2-CE 3.35Å; E40-K48 IonicContact OE2-NZ 2.76Å; E40-K48 PolarHBondContact OE2-NZ 3.33Å
41S78Confident79.7Confident48 Ų4865 Ų6534%0.33633%0.328SS..SBendtrans-126.1164.3168.6-173.20000111.5F39 D43 D44F39-S41 VanDerWaalsContact CB-O 3.3Å; F39-S41 WeakPolarHBondContact CB-O 3.45Å; S41-D43 PolarHBondContact O-N 3.43Å; S41-D43 PolarHBondContact OG-N 3.34Å; S41-D44 PolarHBondContact N-OD2 2.79Å; S41-D44 PolarHBondContact O-N 3.4Å
42K75Confident79.5Confident149 Ų14965.8 Ų65.865%0.64833%0.334SS*.THydrogen-bonded Turntrans-63.1-27.1169.8-175.4-177.1175.1-172.50112.1W27 D44W27-K42 HydrophobicContact CD2-CB 4.44Å; W27-K42 HydrophobicContact CD2-CG 4.39Å; K42-D44 VanDerWaalsContact C-N 3.34Å
43D72.8Confident79.8Confident126 Ų12664.5 Ų64.567%0.67432%0.321SS*.THydrogen-bonded Turntrans-87.5-4.1-177.1-52.2-50.1000113S41S41-D43 PolarHBondContact O-N 3.43Å; S41-D43 PolarHBondContact OG-N 3.34Å
44D75.1Confident80.2Confident61 Ų6162.7 Ų62.733%0.32631%0.313SS..  trans-78.1126.9178.5-70.4-33.1000110.9F39 E40 S41 K42 V46F39-D44 HydrophobicContact CB-CB 4.24Å; F39-D44 HydrophobicContact CD1-CB 4.33Å; F39-D44 VanDerWaalsContact CD1-O 3.23Å; F39-D44 WeakPolarHBondContact CD1-O 3.43Å; E40-D44 WeakPolarHBondContact CA-OD2 3.2Å; E40-D44 VanDerWaalsContact CB-OD2 3.31Å; E40-D44 WeakPolarHBondContact CB-OD2 3.34Å; E40-D44 PolarHBondContact N-OD2 3.15Å; S41-D44 PolarHBondContact N-OD2 2.79Å; S41-D44 PolarHBondContact O-N 3.4Å; K42-D44 VanDerWaalsContact C-N 3.34Å; D44-V46 VanDerWaalsContact C-N 3.35Å
45Y72.3Confident79.8Confident226 Ų22666.9 Ų66.989%0.88633%0.329SS*.SBendtrans-81.9-15.8174.9-59.9-79.7000113.2
46V72.9Confident79.6Confident113 Ų11366.1 Ų66.169%0.68533%0.327SS*.SBendtrans-109.6118-175.6-177.30000109.9D44 K48D44-V46 VanDerWaalsContact C-N 3.35Å; V46-K48 PolarHBondContact O-N 2.75Å
47A77.6Confident79.4Confident25 Ų2566.7 Ų66.721%0.20733%0.332CS..  trans-65.8129.2172.800000109.5R37 F39 A49R37-A47 HydrophobicContact CB-CB 4.01Å; R37-A47 HydrophobicContact CG-CB 4.45Å; F39-A47 HydrophobicContact CD1-CB 4.21Å; F39-A47 HydrophobicContact CE1-CB 3.76Å; F39-A47 VanDerWaalsContact CE1-N 3.34Å; F39-A47 HydrophobicContact CE2-CB 4.47Å; F39-A47 HydrophobicContact CZ-CB 3.9Å; A47-A49 VanDerWaalsContact C-N 3.27Å; A47-A49 PolarHBondContact O-N 2.9Å
48K82.1Confident79.4Confident119 Ų11970.7 Ų70.752%0.51735%0.347SS..SBendtrans-67.8-32.1176.7-73.5-73.9-177.5165.90111.7Y38 E40 V46Y38-K48 HydrophobicContact CD2-CB 3.94Å; Y38-K48 HydrophobicContact CE2-CB 3.3Å; Y38-K48 HydrophobicContact CE2-CG 4.08Å; Y38-K48 PolarHBondContact O-N 3Å; E40-K48 HydrophobicContact CB-CG 4.32Å; E40-K48 WeakPolarHBondContact OE2-CE 3.35Å; E40-K48 IonicContact OE2-NZ 2.76Å; E40-K48 PolarHBondContact OE2-NZ 3.33Å; V46-K48 PolarHBondContact O-N 2.75Å
49A81Confident79.3Confident27 Ų2774 Ų7422%0.22336%0.363CS..EExtended strand (participates in β ladder)trans-156.2156.3164.500000111R37 Y38 A47 W88R37-A49 WeakPolarHBondContact CA-O 3.39Å; Y38-A49 HydrophobicContact CD1-CB 4.19Å; Y38-A49 HydrophobicContact CE1-CB 3.48Å; Y38-A49 VanDerWaalsContact CE1-CB 3.48Å; Y38-A49 PolarHBondContact N-O 3.16Å; A47-A49 VanDerWaalsContact C-N 3.27Å; A47-A49 PolarHBondContact O-N 2.9Å; A49-W88 HydrophobicContact CB-CH2 3.59Å; A49-W88 HydrophobicContact CB-CZ2 3.97Å
50T80.3Confident79.3Confident68 Ų6874.8 Ų74.842%0.41737%0.368SS..EExtended strand (participates in β ladder)trans-129.6132.5178.5-60.20000107.7E35 L36 R37E35-T50 HydrophobicContact CB-CG2 4.44Å; L36-T50 WeakPolarHBondContact O-CA 3.24Å; R37-T50 WeakPolarHBondContact CD-OG1 3.32Å; R37-T50 HydrophobicContact CG-CG2 3.73Å; R37-T50 WeakPolarHBondContact CG-OG1 3.49Å
51I81.5Confident79.5Confident17 Ų1770.8 Ų70.89%0.08735%0.349CS..EExtended strand (participates in β ladder)trans-126143.7172.864.1173.9000109.7E35 L36 V53 L81 W88E35-I51 WeakPolarHBondContact CA-O 3.23Å; L36-I51 HydrophobicContact CB-CD1 4.38Å; L36-I51 HydrophobicContact CB-CG1 3.8Å; L36-I51 HydrophobicContact CD2-CD1 3.92Å; L36-I51 HydrophobicContact CD2-CG1 4.21Å; L36-I51 HydrophobicContact CG-CG1 4.49Å; L36-I51 PolarHBondContact N-O 2.65Å; L36-I51 PolarHBondContact O-N 3.45Å; I51-V53 HydrophobicContact CD1-CG2 4.44Å; I51-V53 HydrophobicContact CG1-CG2 4.36Å; I51-V53 PolarHBondContact O-N 3.03Å; I51-L81 HydrophobicContact CD1-CD1 3.36Å; I51-L81 HydrophobicContact CD1-CD2 3.78Å; I51-L81 HydrophobicContact CD1-CG 4.24Å; I51-W88 HydrophobicContact CD1-CE3 4.16Å; I51-W88 HydrophobicContact CD1-CZ3 4.19Å; I51-W88 HydrophobicContact CG1-CZ3 4.4Å; I51-W88 HydrophobicContact CG2-CH2 3.58Å; I51-W88 HydrophobicContact CG2-CZ2 3.62Å; I51-W88 HydrophobicContact CG2-CZ3 4.23Å
52N79.3Confident79.7Confident44 Ų4471.8 Ų71.824%0.23536%0.356CS..EExtended strand (participates in β ladder)trans-90.2102.4168.9-173.8-58.3000108.3P54 R55 V56N52-P54 VanDerWaalsContact OD1-CD 3.25Å; N52-P54 WeakPolarHBondContact OD1-CD 3.49Å; N52-P54 WeakPolarHBondContact OD1-CG 3.26Å; N52-R55 HydrophobicContact CB-CB 4.07Å; N52-R55 PolarHBondContact O-N 2.84Å; N52-R55 WeakPolarHBondContact OD1-CB 3.42Å; N52-R55 PolarHBondContact OD1-N 3.43Å; N52-R55 VanDerWaalsContact OD1-N 3.11Å; N52-V56 WeakPolarHBondContact O-CB 3.42Å; N52-V56 PolarHBondContact O-N 3.49Å
53V83.6Confident79.3Confident0 Ų066 Ų660%034%0.339CS..Hα-helixtrans-56.6-51.5-173.9175.20000111.7L30 G34 L36 I51 R55 V56 C57 L105 V108 K109L30-V53 HydrophobicContact CD1-CG2 4.45Å; G34-V53 WeakPolarHBondContact O-CB 3.48Å; G34-V53 PolarHBondContact O-N 3.39Å; L36-V53 HydrophobicContact CB-CG2 3.62Å; L36-V53 HydrophobicContact CD2-CG2 4.45Å; I51-V53 HydrophobicContact CD1-CG2 4.44Å; I51-V53 HydrophobicContact CG1-CG2 4.36Å; I51-V53 PolarHBondContact O-N 3.03Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.03Å; V53-V56 PolarHBondContact O-N 3.09Å; V53-C57 HydrophobicContact CG1-CB 3.86Å; V53-C57 WeakPolarHBondContact O-CB 3.36Å; V53-C57 PolarHBondContact O-N 3.39Å; V53-L105 HydrophobicContact CG1-CD2 4.33Å; V53-L105 HydrophobicContact CG2-CD2 4.02Å; V53-V108 HydrophobicContact CB-CG1 3.75Å; V53-V108 HydrophobicContact CG1-CG1 3.95Å; V53-V108 HydrophobicContact CG2-CG1 4.45Å; V53-K109 HydrophobicContact CG1-CB 4.2Å
54P78Confident79Confident28 Ų2862.4 Ų62.418%0.18232%0.318CS..Hα-helixtrans-67.6-20.8-179.216.6-22.3000114.6G34 N52 V108 I113G34-P54 WeakPolarHBondContact O-CD 3.31Å; N52-P54 VanDerWaalsContact OD1-CD 3.25Å; N52-P54 WeakPolarHBondContact OD1-CD 3.49Å; N52-P54 WeakPolarHBondContact OD1-CG 3.26Å; P54-V108 HydrophobicContact CG-CG1 4.39Å; P54-I113 HydrophobicContact CB-CD1 3.8Å; P54-I113 HydrophobicContact CB-CG1 3.88Å; P54-I113 HydrophobicContact CG-CD1 3.89Å; P54-I113 HydrophobicContact CG-CG1 3.88Å
55R72.5Confident78.3Confident87 Ų8771.3 Ų71.333%0.32835%0.347SS..Hα-helixtrans-82.5-43.7173.9-174.1-161.5-169.3169.3-3.7112.4N52 V53 I113 E144 R174 D190N52-R55 HydrophobicContact CB-CB 4.07Å; N52-R55 PolarHBondContact O-N 2.84Å; N52-R55 WeakPolarHBondContact OD1-CB 3.42Å; N52-R55 PolarHBondContact OD1-N 3.43Å; N52-R55 VanDerWaalsContact OD1-N 3.11Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.03Å; R55-I113 HydrophobicContact CB-CD1 4.29Å; R55-E144 IonicContact CZ-OE1 3.9Å; R55-E144 IonicContact NH1-OE1 3.1Å; R55-E144 PolarHBondContact NH1-OE1 3.11Å; R55-E144 IonicContact NH2-OE1 2.71Å; R55-R174 VanDerWaalsContact NE-CZ 3.3Å; R55-R174 VanDerWaalsContact NE-NH1 3.16Å; R55-R174 VanDerWaalsContact NH1-CZ 3.28Å; R55-D190 IonicContact CZ-OD2 3.92Å; R55-D190 IonicContact NH2-OD1 3.48Å; R55-D190 PolarHBondContact NH2-OD1 3.17Å; R55-D190 VanDerWaalsContact NH2-OD1 3.1Å; R55-D190 IonicContact NH2-OD2 2.7Å; R55-D190 PolarHBondContact NH2-OD2 2.86Å
56V76.8Confident78.1Confident32 Ų3267 Ų6719%0.19434%0.339CS..Hα-helixtrans-111.2-20.7-160.2-179.50000112.8N52 V53 R58 T83N52-V56 WeakPolarHBondContact O-CB 3.42Å; N52-V56 PolarHBondContact O-N 3.49Å; V53-V56 PolarHBondContact O-N 3.09Å; V56-R58 PolarHBondContact O-N 3.04Å; V56-T83 HydrophobicContact CG1-CG2 3.73Å; V56-T83 WeakPolarHBondContact O-CA 3.43Å
57C83.9Confident78.2Confident13 Ų1362.6 Ų62.69%0.08831%0.312CS..EExtended strand (participates in β ladder)trans-79.6113.3-179.3-175.20000111.6V53 K109V53-C57 HydrophobicContact CG1-CB 3.86Å; V53-C57 WeakPolarHBondContact O-CB 3.36Å; V53-C57 PolarHBondContact O-N 3.39Å; C57-K109 WeakPolarHBondContact O-CE 3.28Å
58R84.7Confident78.2Confident159 Ų15968 Ų6860%0.634%0.338SS*.EExtended strand (participates in β ladder)trans-78.8-44.4172.1-67.5-170.3174.7176.26111.9V56 R82 D84 K109V56-R58 PolarHBondContact O-N 3.04Å; R58-R82 HydrophobicContact CB-CG 4.41Å; R58-R82 PolarHBondContact N-O 2.93Å; R58-D84 WeakPolarHBondContact CD-OD1 3.1Å; R58-D84 WeakPolarHBondContact CG-OD1 3.1Å; R58-D84 IonicContact CZ-OD1 2.94Å; R58-D84 VanDerWaalsContact CZ-OD1 3.26Å; R58-D84 IonicContact CZ-OD2 3.26Å; R58-D84 IonicContact NE-OD1 3.65Å; R58-D84 PolarHBondContact NE-OD1 2.93Å; R58-D84 IonicContact NE-OD2 2.62Å; R58-D84 IonicContact NH2-OD1 3.69Å; R58-D84 PolarHBondContact NH2-OD1 3.18Å; R58-D84 IonicContact NH2-OD2 3.25Å; R58-D84 PolarHBondContact NH2-OD2 3.2Å; R58-K109 PolarHBondContact O-NZ 1.99Å
59E87Confident78Confident91 Ų9164.8 Ų64.843%0.42533%0.329SS..EExtended strand (participates in β ladder)trans-149.1140.7-170.2-172.3-178.8-162.300110.6L61 L81 R82E59-L61 HydrophobicContact CG-CD2 4.15Å; E59-L81 WeakPolarHBondContact O-CA 3.32Å; E59-R82 HydrophobicContact CB-CB 4.09Å; E59-R82 PolarHBondContact O-N 3.37Å; E59-R82 IonicContact OE2-CZ 3.52Å; E59-R82 IonicContact OE2-NH1 2.83Å; E59-R82 PolarHBondContact OE2-NH1 3.09Å
60I88.3Confident77.9Confident38 Ų3864.5 Ų64.520%0.19532%0.324CS..EExtended strand (participates in β ladder)trans-97.1123173.6-61.9169.8000107R102 L105 S106 K109I60-R102 HydrophobicContact CG2-CB 4.33Å; I60-R102 HydrophobicContact CG2-CG 4.05Å; I60-L105 HydrophobicContact CD1-CB 3.86Å; I60-L105 HydrophobicContact CG1-CB 4.41Å; I60-S106 VanDerWaalsContact CD1-N 3.29Å; I60-K109 HydrophobicContact CD1-CD 4.14Å; I60-K109 HydrophobicContact CG1-CD 4.31Å
61L87.1Confident77.5Confident16 Ų1671.2 Ų71.28%0.08435%0.348CS..EExtended strand (participates in β ladder)trans-95.4134.2-175.3-56.8175.7000109.6E59 G80 R82 Y89E59-L61 HydrophobicContact CG-CD2 4.15Å; L61-G80 PolarHBondContact N-O 2.59Å; L61-G80 PolarHBondContact O-N 3.48Å; L61-R82 HydrophobicContact CD1-CB 4.37Å; L61-Y89 HydrophobicContact CD1-CD1 4.45Å; L61-Y89 HydrophobicContact CD1-CE1 3.56Å
62S82.1Confident77.1Confident69 Ų6977.8 Ų77.848%0.48338%0.383SS..EExtended strand (participates in β ladder)trans-120.2120.3174.4-172.90000108.4R102S62-R102 VanDerWaalsContact OG-CZ 3.31Å; S62-R102 PolarHBondContact OG-NE 2.94Å; S62-R102 PolarHBondContact OG-NH1 3.14Å
63G66.9Low76.9Confident28 Ų2879.3 Ų79.329%0.28939%0.385SS..SBendtrans52.887.9176.200000113.6R65 S75 I78G63-R65 PolarHBondContact O-N 3.35Å; G63-S75 WeakPolarHBondContact CA-O 3.2Å; G63-I78 PolarHBondContact N-O 3.35Å
64H66.1Low76.7Confident49 Ų4981.7 Ų81.723%0.22740%0.402CS..  trans-81.7121.1-179.9-157.162.6000111.1N66 I67 Y89H64-N66 PolarHBondContact O-N 3.23Å; H64-N66 VanDerWaalsContact O-N 3.08Å; H64-I67 HydrophobicContact CB-CB 4.32Å; H64-I67 HydrophobicContact CB-CD1 3.88Å; H64-I67 HydrophobicContact CB-CG1 4.23Å; H64-I67 PolarHBondContact O-N 3.27Å; H64-Y89 HydrophobicContact CB-CD1 4.48Å; H64-Y89 HydrophobicContact CB-CE1 3.92Å; H64-Y89 AromaticContact CG-CE1 3.94Å
65R60.2Low76.9Confident248 Ų24883.3 Ų83.394%0.93641%0.414SS*.THydrogen-bonded Turntrans-58.7-21.6-179.9-67.2-176-179.2-175.6-0.2114.1G63G63-R65 PolarHBondContact O-N 3.35Å
66N68.6Low77.5Confident136 Ų13685.5 Ų85.573%0.72743%0.428SS*.THydrogen-bonded Turntrans-105.611.7-175.2-59.8-14.5000113.6H64H64-N66 PolarHBondContact O-N 3.23Å; H64-N66 VanDerWaalsContact O-N 3.08Å
67I75.3Confident78Confident21 Ų2184.2 Ų84.211%0.10842%0.421CS..SBendtrans-117.5121.2176.5-69.8167.9000109.2L16 W23 H64 P69 I78 Y89L16-I67 HydrophobicContact CD2-CD1 3.91Å; L16-I67 HydrophobicContact CD2-CG1 4.12Å; L16-I67 HydrophobicContact CD2-CG2 3.97Å; W23-I67 HydrophobicContact CH2-CG2 4.27Å; W23-I67 HydrophobicContact CZ2-CG2 3.53Å; H64-I67 HydrophobicContact CB-CB 4.32Å; H64-I67 HydrophobicContact CB-CD1 3.88Å; H64-I67 HydrophobicContact CB-CG1 4.23Å; H64-I67 PolarHBondContact O-N 3.27Å; I67-P69 WeakPolarHBondContact O-CD 3.32Å; I67-I78 HydrophobicContact CG2-CD1 4.11Å; I67-Y89 HydrophobicContact CD1-CD1 3.15Å; I67-Y89 HydrophobicContact CD1-CD2 3.44Å; I67-Y89 VanDerWaalsContact CD1-CD2 3.44Å; I67-Y89 HydrophobicContact CD1-CE1 3.25Å; I67-Y89 HydrophobicContact CD1-CE2 3.54Å; I67-Y89 HydrophobicContact CD1-CG 3.22Å; I67-Y89 VanDerWaalsContact CD1-CZ 3.43Å
68D77.6Confident78.3Confident139 Ų13983.6 Ų83.674%0.74342%0.417SS*.PPolyproline II helixtrans-68.1121.4174.8-61.6-40.4000109.4W23W23-D68 PolarHBondContact NE1-O 2.96Å
69P76.4Confident78.6Confident51 Ų5176.1 Ų76.133%0.33139%0.388SS..PPolyproline II helixtrans-63.1158.3174.626.8-32.8000110.7I67 R73 I78I67-P69 WeakPolarHBondContact O-CD 3.32Å; P69-R73 VanDerWaalsContact CB-O 3.23Å; P69-R73 WeakPolarHBondContact CB-O 2.98Å; P69-I78 HydrophobicContact CB-CD1 3.96Å
70P79.1Confident78.8Confident20 Ų2071.8 Ų71.813%0.1337%0.368CS..PPolyproline II helixtrans-51148165.8-20.430.2000110.5L14 W23 D72 R73 C91L14-P70 HydrophobicContact CD1-CB 4.05Å; L14-P70 HydrophobicContact CD1-CG 3.65Å; W23-P70 HydrophobicContact CB-CG 4.42Å; W23-P70 HydrophobicContact CD2-CG 3.95Å; W23-P70 HydrophobicContact CG-CG 3.82Å; P70-D72 PolarHBondContact O-N 2.88Å; P70-R73 HydrophobicContact CB-CB 4.38Å; P70-R73 HydrophobicContact CB-CG 4.45Å; P70-R73 HydrophobicContact CG-CB 4.39Å; P70-R73 PolarHBondContact O-N 2.93Å; P70-C91 HydrophobicContact CG-CB 4.19Å
71K71.5Confident78.9Confident209 Ų20970 Ų7091%0.90936%0.359SS*.THydrogen-bonded Turntrans-50.2-22.4-171.2-71.2-174.5176.7-176.60115.4
72D74.2Confident78.9Confident156 Ų15672.9 Ų72.983%0.83437%0.369SS*.THydrogen-bonded Turntrans-119.618.1-175.3-50.1-53.5000113.6P70P70-D72 PolarHBondContact O-N 2.88Å
73R74.3Confident79.1Confident75 Ų7570.1 Ų70.128%0.28335%0.349SS..SBendtrans-130.3150.6-177.8-65.6-168.6179.2-178.82.6112.4P69 P70 C77 C91 A92P69-R73 VanDerWaalsContact CB-O 3.23Å; P69-R73 WeakPolarHBondContact CB-O 2.98Å; P70-R73 HydrophobicContact CB-CB 4.38Å; P70-R73 HydrophobicContact CB-CG 4.45Å; P70-R73 HydrophobicContact CG-CB 4.39Å; P70-R73 PolarHBondContact O-N 2.93Å; R73-C77 HydrophobicContact CB-CB 4.39Å; R73-C91 WeakPolarHBondContact CD-SG 3.45Å; R73-C91 PolarHBondContact NH1-O 3.44Å; R73-C91 VanDerWaalsContact NH1-O 3.15Å; R73-A92 PolarHBondContact NH1-O 2.89Å
74S79.8Confident79.6Confident50 Ų5073.6 Ų73.635%0.3536%0.361SS..  trans-78.4159174.5670000111E76 C77S74-E76 PolarHBondContact O-N 2.85Å; S74-C77 WeakPolarHBondContact O-CB 3.45Å; S74-C77 PolarHBondContact O-N 2.83Å; S74-C77 VanDerWaalsContact O-N 3.14Å; S74-C77 PolarHBondContact OG-SG 2.82Å; S74-C77 VanDerWaalsContact OG-SG 3.4Å
75S83.1Confident80.1Confident63 Ų6379.5 Ų79.544%0.44139%0.388SS..G310 helixtrans-62.9-20.5170.7540000112.6G63 C77 I78G63-S75 WeakPolarHBondContact CA-O 3.2Å; S75-C77 VanDerWaalsContact C-N 3.29Å; S75-I78 WeakPolarHBondContact O-CB 3.4Å; S75-I78 PolarHBondContact O-N 2.94Å; S75-I78 VanDerWaalsContact O-N 3.16Å
76E84.8Confident81Confident132 Ų13269.6 Ų69.662%0.61736%0.357SS*.G310 helixtrans-70.3-25.5175.3-58.6179.6166.100112.5S74 I78 P95 A98S74-E76 PolarHBondContact O-N 2.85Å; E76-I78 PolarHBondContact O-N 2.9Å; E76-P95 HydrophobicContact CB-CB 4.04Å; E76-A98 WeakPolarHBondContact O-CB 3.49Å
77C88.1Confident81.8Confident5 Ų565.6 Ų65.63%0.03434%0.336CS..G310 helixtrans-72-11.1172.2-610000112.6R73 S74 S75 C91 A92R73-C77 HydrophobicContact CB-CB 4.39Å; S74-C77 WeakPolarHBondContact O-CB 3.45Å; S74-C77 PolarHBondContact O-N 2.83Å; S74-C77 VanDerWaalsContact O-N 3.14Å; S74-C77 PolarHBondContact OG-SG 2.82Å; S74-C77 VanDerWaalsContact OG-SG 3.4Å; S75-C77 VanDerWaalsContact C-N 3.29Å; C77-C91 CarbonylContact O-C 3.35Å; C77-C91 WeakPolarHBondContact O-CA 3.25Å; C77-A92 PolarHBondContact O-N 2.83Å
78I89.4Confident82.4Confident1 Ų166 Ų661%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-88.2126.7-177.5-56175.1000110.3W23 G63 I67 P69 S75 E76 F90 C91W23-I78 HydrophobicContact CH2-CG1 4.38Å; W23-I78 HydrophobicContact CH2-CG2 4.25Å; W23-I78 HydrophobicContact CZ2-CD1 4.14Å; W23-I78 HydrophobicContact CZ2-CG1 4.35Å; G63-I78 PolarHBondContact N-O 3.35Å; I67-I78 HydrophobicContact CG2-CD1 4.11Å; P69-I78 HydrophobicContact CB-CD1 3.96Å; S75-I78 WeakPolarHBondContact O-CB 3.4Å; S75-I78 PolarHBondContact O-N 2.94Å; S75-I78 VanDerWaalsContact O-N 3.16Å; E76-I78 PolarHBondContact O-N 2.9Å; I78-F90 WeakPolarHBondContact CA-O 3.04Å; I78-C91 HydrophobicContact CG1-CB 4.46Å
79F91.4Very high83Confident1 Ų160.7 Ų60.70%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-132159.2170.868.3-82.5000109.9V13 L28 F90 A92 A98 W101 R102 L105V13-F79 HydrophobicContact CG1-CE1 4.4Å; V13-F79 HydrophobicContact CG1-CZ 4.22Å; L28-F79 HydrophobicContact CD2-CE2 4.08Å; L28-F79 HydrophobicContact CD2-CZ 4.01Å; F79-F90 HydrophobicContact CD1-CB 4.15Å; F79-F90 HydrophobicContact CD2-CB 4.16Å; F79-F90 HydrophobicContact CD2-CD2 4.45Å; F79-F90 HydrophobicContact CE1-CB 3.66Å; F79-F90 HydrophobicContact CE2-CB 3.68Å; F79-F90 AromaticContact CE2-CD2 3.96Å; F79-F90 HydrophobicContact CE2-CD2 3.96Å; F79-F90 HydrophobicContact CE2-CG 4.11Å; F79-F90 HydrophobicContact CG-CB 4.39Å; F79-F90 HydrophobicContact CZ-CB 3.42Å; F79-F90 VanDerWaalsContact CZ-CB 3.42Å; F79-F90 HydrophobicContact CZ-CD2 4.44Å; F79-F90 HydrophobicContact CZ-CG 4.13Å; F79-F90 PolarHBondContact N-O 3.45Å; F79-F90 CarbonylContact O-C 3.15Å; F79-F90 PolarHBondContact O-N 3.25Å; F79-A92 HydrophobicContact CD1-CB 4.15Å; F79-A92 HydrophobicContact CE1-CB 3.82Å; F79-A98 HydrophobicContact CD1-CB 4.08Å; F79-W101 HydrophobicContact CD1-CB 4.32Å; F79-W101 HydrophobicContact CD2-CB 3.91Å; F79-W101 HydrophobicContact CE1-CB 4.11Å; F79-W101 AromaticContact CE1-CD1 3.77Å; F79-W101 AromaticContact CE1-CG 3.98Å; F79-W101 HydrophobicContact CE1-CG 3.98Å; F79-W101 HydrophobicContact CE2-CB 3.67Å; F79-W101 HydrophobicContact CE2-CD2 4.23Å; F79-W101 AromaticContact CE2-CG 3.84Å; F79-W101 HydrophobicContact CE2-CG 3.84Å; F79-W101 HydrophobicContact CG-CB 4.22Å; F79-W101 HydrophobicContact CZ-CB 3.77Å; F79-W101 AromaticContact CZ-CD1 3.64Å; F79-W101 AromaticContact CZ-CD2 3.98Å; F79-W101 HydrophobicContact CZ-CD2 3.98Å; F79-W101 AromaticContact CZ-CG 3.51Å; F79-W101 HydrophobicContact CZ-CG 3.51Å; F79-R102 HydrophobicContact CB-CG 3.94Å; F79-L105 HydrophobicContact CD2-CD1 4.24Å; F79-L105 HydrophobicContact CE2-CD1 4.4Å
80G90.2Very high83.8Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-161.3179.818000000113L61 W88L61-G80 PolarHBondContact N-O 2.59Å; L61-G80 PolarHBondContact O-N 3.48Å; G80-W88 CarbonylContact C-O 3.56Å; G80-W88 WeakPolarHBondContact CA-O 3.26Å
81L90.7Very high84.3Confident0 Ų057.3 Ų57.30%028%0.284CS..EExtended strand (participates in β ladder)trans-141.3137.4176.55493.3000109L36 I51 E59 T83 W88 F90 L105L36-L81 HydrophobicContact CD2-CD2 3.45Å; L36-L81 VanDerWaalsContact CD2-CD2 3.45Å; I51-L81 HydrophobicContact CD1-CD1 3.36Å; I51-L81 HydrophobicContact CD1-CD2 3.78Å; I51-L81 HydrophobicContact CD1-CG 4.24Å; E59-L81 WeakPolarHBondContact O-CA 3.32Å; L81-T83 HydrophobicContact CD1-CG2 3.46Å; L81-T83 VanDerWaalsContact CD1-CG2 3.46Å; L81-W88 HydrophobicContact CD1-CB 3.71Å; L81-W88 HydrophobicContact CD1-CD2 4.38Å; L81-W88 HydrophobicContact CD1-CG 3.96Å; L81-W88 HydrophobicContact CG-CB 3.89Å; L81-W88 PolarHBondContact N-O 2.74Å; L81-W88 PolarHBondContact O-N 3.45Å; L81-F90 HydrophobicContact CD2-CE2 4.49Å; L81-L105 HydrophobicContact CD2-CD1 4.35Å; L81-L105 HydrophobicContact CD2-CD2 4.32Å
82R87.8Confident85.2Confident78 Ų7847.4 Ų47.429%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-97.1121175.7172.1159.8-66.3151.1-5.2108.5R58 E59 L61 D87R58-R82 HydrophobicContact CB-CG 4.41Å; R58-R82 PolarHBondContact N-O 2.93Å; E59-R82 HydrophobicContact CB-CB 4.09Å; E59-R82 PolarHBondContact O-N 3.37Å; E59-R82 IonicContact OE2-CZ 3.52Å; E59-R82 IonicContact OE2-NH1 2.83Å; E59-R82 PolarHBondContact OE2-NH1 3.09Å; L61-R82 HydrophobicContact CD1-CB 4.37Å; R82-D87 WeakPolarHBondContact CA-OD1 3.28Å; R82-D87 WeakPolarHBondContact CB-OD1 3.31Å; R82-D87 WeakPolarHBondContact CG-OD1 3.12Å; R82-D87 IonicContact CZ-OD2 3.46Å; R82-D87 IonicContact NE-OD1 3.62Å; R82-D87 PolarHBondContact NE-OD1 3.16Å; R82-D87 IonicContact NE-OD2 2.77Å; R82-D87 PolarHBondContact NE-OD2 3.43Å; R82-D87 IonicContact NH2-OD2 3.59Å; R82-D87 PolarHBondContact NH2-OD2 2.99Å
83T85.4Confident85.9Confident10 Ų1044.8 Ų44.86%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-111.9172174.372.30000111.2V56 L81 E85 S86V56-T83 HydrophobicContact CG1-CG2 3.73Å; V56-T83 WeakPolarHBondContact O-CA 3.43Å; L81-T83 HydrophobicContact CD1-CG2 3.46Å; L81-T83 VanDerWaalsContact CD1-CG2 3.46Å; T83-E85 PolarHBondContact O-N 3.29Å; T83-E85 PolarHBondContact OG1-N 3.4Å; T83-S86 PolarHBondContact N-O 2.67Å; T83-S86 PolarHBondContact OG1-N 3.04Å; T83-S86 PolarHBondContact OG1-O 3.43Å
84D77.2Confident86.5Confident102 Ų10242.8 Ų42.855%0.54522%0.221SC..SBendtrans-64.4-32.3173.5-70.630.7000111.9R58R58-D84 WeakPolarHBondContact CD-OD1 3.1Å; R58-D84 WeakPolarHBondContact CG-OD1 3.1Å; R58-D84 IonicContact CZ-OD1 2.94Å; R58-D84 VanDerWaalsContact CZ-OD1 3.26Å; R58-D84 IonicContact CZ-OD2 3.26Å; R58-D84 IonicContact NE-OD1 3.65Å; R58-D84 PolarHBondContact NE-OD1 2.93Å; R58-D84 IonicContact NE-OD2 2.62Å; R58-D84 IonicContact NH2-OD1 3.69Å; R58-D84 PolarHBondContact NH2-OD1 3.18Å; R58-D84 IonicContact NH2-OD2 3.25Å; R58-D84 PolarHBondContact NH2-OD2 3.2Å
85E76.1Confident86.8Confident172 Ų17242.7 Ų42.780%0.80422%0.219SC*.SBendtrans-90-45.9-175.7-63.1178.1-177.400112.6T83T83-E85 PolarHBondContact O-N 3.29Å; T83-E85 PolarHBondContact OG1-N 3.4Å
86S80.6Confident87.1Confident40 Ų4045.3 Ų45.328%0.2823%0.228SC..  trans-160.8147.3-17553.70000113.7T83 W88T83-S86 PolarHBondContact N-O 2.67Å; T83-S86 PolarHBondContact OG1-N 3.04Å; T83-S86 PolarHBondContact OG1-O 3.43Å; S86-W88 PolarHBondContact OG-NE1 2.84Å
87D85.8Confident87.5Confident52 Ų5240.9 Ų40.928%0.27821%0.209SC..EExtended strand (participates in β ladder)trans-78.4128.5170.3-74.1-3.9000109.7R82 Y89R82-D87 WeakPolarHBondContact CA-OD1 3.28Å; R82-D87 WeakPolarHBondContact CB-OD1 3.31Å; R82-D87 WeakPolarHBondContact CG-OD1 3.12Å; R82-D87 IonicContact CZ-OD2 3.46Å; R82-D87 IonicContact NE-OD1 3.62Å; R82-D87 PolarHBondContact NE-OD1 3.16Å; R82-D87 IonicContact NE-OD2 2.77Å; R82-D87 PolarHBondContact NE-OD2 3.43Å; R82-D87 IonicContact NH2-OD2 3.59Å; R82-D87 PolarHBondContact NH2-OD2 2.99Å; D87-Y89 HydrophobicContact CB-CD2 4.37Å; D87-Y89 HydrophobicContact CB-CE2 3.54Å; D87-Y89 PolarHBondContact OD2-OH 2.67Å
88W87.8Confident87.5Confident29 Ų2940.7 Ų40.711%0.1121%0.207CC..EExtended strand (participates in β ladder)trans-109.5125.7-180-75.337.6000109.8Y38 A49 I51 G80 L81 S86 F90Y38-W88 HydrophobicContact CD1-CE3 4.28Å; Y38-W88 AromaticContact CD1-CH2 3.65Å; Y38-W88 HydrophobicContact CD1-CH2 3.65Å; Y38-W88 AromaticContact CD1-CZ3 3.39Å; Y38-W88 HydrophobicContact CD1-CZ3 3.39Å; Y38-W88 HydrophobicContact CE1-CE3 4.41Å; Y38-W88 AromaticContact CE1-CH2 3.44Å; Y38-W88 HydrophobicContact CE1-CH2 3.44Å; Y38-W88 VanDerWaalsContact CE1-CH2 3.44Å; Y38-W88 HydrophobicContact CE1-CZ2 4.13Å; Y38-W88 AromaticContact CE1-CZ3 3.61Å; Y38-W88 HydrophobicContact CE1-CZ3 3.61Å; A49-W88 HydrophobicContact CB-CH2 3.59Å; A49-W88 HydrophobicContact CB-CZ2 3.97Å; I51-W88 HydrophobicContact CD1-CE3 4.16Å; I51-W88 HydrophobicContact CD1-CZ3 4.19Å; I51-W88 HydrophobicContact CG1-CZ3 4.4Å; I51-W88 HydrophobicContact CG2-CH2 3.58Å; I51-W88 HydrophobicContact CG2-CZ2 3.62Å; I51-W88 HydrophobicContact CG2-CZ3 4.23Å; G80-W88 CarbonylContact C-O 3.56Å; G80-W88 WeakPolarHBondContact CA-O 3.26Å; L81-W88 HydrophobicContact CD1-CB 3.71Å; L81-W88 HydrophobicContact CD1-CD2 4.38Å; L81-W88 HydrophobicContact CD1-CG 3.96Å; L81-W88 HydrophobicContact CG-CB 3.89Å; L81-W88 PolarHBondContact N-O 2.74Å; L81-W88 PolarHBondContact O-N 3.45Å; S86-W88 PolarHBondContact OG-NE1 2.84Å; W88-F90 HydrophobicContact CB-CE2 4Å; W88-F90 AromaticContact CE3-CE2 3.93Å; W88-F90 HydrophobicContact CE3-CE2 3.93Å; W88-F90 AromaticContact CE3-CZ 3.57Å; W88-F90 HydrophobicContact CE3-CZ 3.57Å; W88-F90 HydrophobicContact CZ3-CZ 4.22Å
89Y90Very high87.6Confident28 Ų2843.2 Ų43.211%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-122.4135.2-178.7-60.3-82.1000111.6L16 L61 H64 I67 D87L16-Y89 HydrophobicContact CD2-CD2 4.17Å; L16-Y89 HydrophobicContact CD2-CG 4.44Å; L16-Y89 PolarHBondContact N-O 3.39Å; L61-Y89 HydrophobicContact CD1-CD1 4.45Å; L61-Y89 HydrophobicContact CD1-CE1 3.56Å; H64-Y89 HydrophobicContact CB-CD1 4.48Å; H64-Y89 HydrophobicContact CB-CE1 3.92Å; H64-Y89 AromaticContact CG-CE1 3.94Å; I67-Y89 HydrophobicContact CD1-CD1 3.15Å; I67-Y89 HydrophobicContact CD1-CD2 3.44Å; I67-Y89 VanDerWaalsContact CD1-CD2 3.44Å; I67-Y89 HydrophobicContact CD1-CE1 3.25Å; I67-Y89 HydrophobicContact CD1-CE2 3.54Å; I67-Y89 HydrophobicContact CD1-CG 3.22Å; I67-Y89 VanDerWaalsContact CD1-CZ 3.43Å; D87-Y89 HydrophobicContact CB-CD2 4.37Å; D87-Y89 HydrophobicContact CB-CE2 3.54Å; D87-Y89 PolarHBondContact OD2-OH 2.67Å
90F91.6Very high87.6Confident1 Ų146.2 Ų46.20%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-132.1154-178-60.2-76.8000110.3V13 L14 R15 L28 I78 F79 L81 W88V13-F90 HydrophobicContact CG2-CD1 3.84Å; L14-F90 CarbonylContact O-C 3.54Å; L14-F90 WeakPolarHBondContact O-CA 3.5Å; R15-F90 HydrophobicContact CB-CD1 3.94Å; R15-F90 HydrophobicContact CB-CE1 3.94Å; R15-F90 HydrophobicContact CG-CD1 3.97Å; R15-F90 HydrophobicContact CG-CE1 3.63Å; R15-F90 HydrophobicContact CG-CZ 4.46Å; L28-F90 HydrophobicContact CD1-CE1 3.98Å; L28-F90 HydrophobicContact CD1-CE2 4.44Å; L28-F90 HydrophobicContact CD1-CZ 3.84Å; L28-F90 HydrophobicContact CD2-CD1 4.41Å; L28-F90 HydrophobicContact CD2-CD2 4.41Å; L28-F90 HydrophobicContact CD2-CE1 4.46Å; L28-F90 HydrophobicContact CD2-CE2 4.47Å; L28-F90 HydrophobicContact CD2-CG 4.37Å; L28-F90 HydrophobicContact CD2-CZ 4.48Å; I78-F90 WeakPolarHBondContact CA-O 3.04Å; F79-F90 HydrophobicContact CD1-CB 4.15Å; F79-F90 HydrophobicContact CD2-CB 4.16Å; F79-F90 HydrophobicContact CD2-CD2 4.45Å; F79-F90 HydrophobicContact CE1-CB 3.66Å; F79-F90 HydrophobicContact CE2-CB 3.68Å; F79-F90 AromaticContact CE2-CD2 3.96Å; F79-F90 HydrophobicContact CE2-CD2 3.96Å; F79-F90 HydrophobicContact CE2-CG 4.11Å; F79-F90 HydrophobicContact CG-CB 4.39Å; F79-F90 HydrophobicContact CZ-CB 3.42Å; F79-F90 VanDerWaalsContact CZ-CB 3.42Å; F79-F90 HydrophobicContact CZ-CD2 4.44Å; F79-F90 HydrophobicContact CZ-CG 4.13Å; F79-F90 PolarHBondContact N-O 3.45Å; F79-F90 CarbonylContact O-C 3.15Å; F79-F90 PolarHBondContact O-N 3.25Å; L81-F90 HydrophobicContact CD2-CE2 4.49Å; W88-F90 HydrophobicContact CB-CE2 4Å; W88-F90 AromaticContact CE3-CE2 3.93Å; W88-F90 HydrophobicContact CE3-CE2 3.93Å; W88-F90 AromaticContact CE3-CZ 3.57Å; W88-F90 HydrophobicContact CE3-CZ 3.57Å; W88-F90 HydrophobicContact CZ3-CZ 4.22Å
91C90.2Very high87.7Confident0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-127.7116174.4-175.10000109.3L14 W23 P70 R73 C77 I78L14-C91 HydrophobicContact CB-CB 4.16Å; L14-C91 PolarHBondContact N-O 3.04Å; L14-C91 PolarHBondContact O-N 3.08Å; W23-C91 HydrophobicContact CE3-CB 4.04Å; W23-C91 HydrophobicContact CH2-CB 3.81Å; W23-C91 HydrophobicContact CZ2-CB 4.39Å; W23-C91 HydrophobicContact CZ3-CB 3.62Å; P70-C91 HydrophobicContact CG-CB 4.19Å; R73-C91 WeakPolarHBondContact CD-SG 3.45Å; R73-C91 PolarHBondContact NH1-O 3.44Å; R73-C91 VanDerWaalsContact NH1-O 3.15Å; C77-C91 CarbonylContact O-C 3.35Å; C77-C91 WeakPolarHBondContact O-CA 3.25Å; I78-C91 HydrophobicContact CG1-CB 4.46Å
92A91.2Very high87.6Confident0 Ų049.7 Ų49.70%025%0.254CS..  trans-75.4165.4178.100000111.4R73 C77 F79 D97 A98R73-A92 PolarHBondContact NH1-O 2.89Å; C77-A92 PolarHBondContact O-N 2.83Å; F79-A92 HydrophobicContact CD1-CB 4.15Å; F79-A92 HydrophobicContact CE1-CB 3.82Å; A92-D97 HydrophobicContact CB-CB 3.74Å; A92-A98 HydrophobicContact CB-CB 3.85Å
93Q87.6Confident87.7Confident101 Ų10151.3 Ų51.347%0.47227%0.268SS..SBendtrans-67.1-39.7179.9-57.2-172.628.600111.8D11 S12D11-Q93 PolarHBondContact OD1-NE2 3.49Å; D11-Q93 VanDerWaalsContact OD1-NE2 3.09Å; S12-Q93 PolarHBondContact O-NE2 2.51Å
94S87.5Confident87.9Confident33 Ų3351.4 Ų51.423%0.23127%0.27CS..SBendtrans-128.2161.1178.271.30000111.3D96 D97 A98S94-D96 PolarHBondContact O-N 2.83Å; S94-D97 PolarHBondContact N-OD2 2.84Å; S94-D97 PolarHBondContact O-N 3.34Å; S94-D97 WeakPolarHBondContact OG-CB 3.46Å; S94-D97 PolarHBondContact OG-N 2.7Å; S94-D97 PolarHBondContact OG-OD2 2.94Å; S94-A98 PolarHBondContact O-N 3.42Å
95P87.2Confident88.6Confident48 Ų4846.6 Ų46.631%0.31224%0.244SC..Hα-helixtrans-62-34172.225.2-34.2000111.9E76 A98 V99E76-P95 HydrophobicContact CB-CB 4.04Å; P95-A98 WeakPolarHBondContact O-CB 3.31Å; P95-A98 PolarHBondContact O-N 2.88Å; P95-V99 VanDerWaalsContact O-CG2 3.32Å; P95-V99 WeakPolarHBondContact O-CG2 3.22Å; P95-V99 PolarHBondContact O-N 2.88Å
96D89.8Confident89.1Confident118 Ų11841.6 Ų41.663%0.63123%0.229SC*.Hα-helixtrans-64.5-42.9176.4-65.8-30.8000111.3S94 A98 V99 V100S94-D96 PolarHBondContact O-N 2.83Å; D96-A98 VanDerWaalsContact C-N 3.28Å; D96-A98 PolarHBondContact O-N 3.13Å; D96-V99 WeakPolarHBondContact O-CB 3.32Å; D96-V99 PolarHBondContact O-N 3.33Å; D96-V99 VanDerWaalsContact O-N 3.09Å; D96-V100 WeakPolarHBondContact O-CG2 3.43Å; D96-V100 PolarHBondContact O-N 2.86Å
97D91.3Very high89.3Confident40 Ų4046 Ų4621%0.21425%0.245CC..Hα-helixtrans-61.5-38.1174.9-70.2-46.4000111.8A92 S94 V99 V100 W101A92-D97 HydrophobicContact CB-CB 3.74Å; S94-D97 PolarHBondContact N-OD2 2.84Å; S94-D97 PolarHBondContact O-N 3.34Å; S94-D97 WeakPolarHBondContact OG-CB 3.46Å; S94-D97 PolarHBondContact OG-N 2.7Å; S94-D97 PolarHBondContact OG-OD2 2.94Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 2.83Å; D97-V100 PolarHBondContact O-N 2.84Å; D97-W101 PolarHBondContact O-N 3.39Å
98A89.9Confident89.3Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-64.4-37.1175.400000111.7E76 F79 A92 S94 P95 D96 R102E76-A98 WeakPolarHBondContact O-CB 3.49Å; F79-A98 HydrophobicContact CD1-CB 4.08Å; A92-A98 HydrophobicContact CB-CB 3.85Å; S94-A98 PolarHBondContact O-N 3.42Å; P95-A98 WeakPolarHBondContact O-CB 3.31Å; P95-A98 PolarHBondContact O-N 2.88Å; D96-A98 VanDerWaalsContact C-N 3.28Å; D96-A98 PolarHBondContact O-N 3.13Å; A98-R102 VanDerWaalsContact O-CG 3.31Å; A98-R102 WeakPolarHBondContact O-CG 3.22Å; A98-R102 PolarHBondContact O-N 2.71Å; A98-R102 VanDerWaalsContact O-N 3.09Å; A98-R102 PolarHBondContact O-NE 3.46Å
99V89.9Confident89.1Confident54 Ų5445.7 Ų45.733%0.32724%0.242SC..Hα-helixtrans-62.6-48.6172.1179.50000110.3P95 D96 D97 W101 R102 L103P95-V99 VanDerWaalsContact O-CG2 3.32Å; P95-V99 WeakPolarHBondContact O-CG2 3.22Å; P95-V99 PolarHBondContact O-N 2.88Å; D96-V99 WeakPolarHBondContact O-CB 3.32Å; D96-V99 PolarHBondContact O-N 3.33Å; D96-V99 VanDerWaalsContact O-N 3.09Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 2.83Å; V99-W101 VanDerWaalsContact C-N 3.32Å; V99-W101 PolarHBondContact O-N 2.95Å; V99-R102 PolarHBondContact O-N 2.93Å; V99-R102 VanDerWaalsContact O-N 3.14Å; V99-L103 HydrophobicContact CG1-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CG 4.37Å; V99-L103 WeakPolarHBondContact O-CG 3.14Å; V99-L103 PolarHBondContact O-N 3.46Å
100V91.6Very high88.4Confident65 Ų6547.4 Ų47.439%0.39427%0.267SS..Hα-helixtrans-60.1-43.1179.91770000111.1K9 D96 D97 R102 L103 A104K9-V100 HydrophobicContact CD-CG1 3.79Å; D96-V100 WeakPolarHBondContact O-CG2 3.43Å; D96-V100 PolarHBondContact O-N 2.86Å; D97-V100 PolarHBondContact O-N 2.84Å; V100-R102 PolarHBondContact O-N 3.49Å; V100-L103 PolarHBondContact O-N 3.44Å; V100-A104 WeakPolarHBondContact O-CB 3.43Å; V100-A104 PolarHBondContact O-N 3.4Å
101W92.2Very high87.3Confident0 Ų050.5 Ų50.50%028%0.283CS..Hα-helixtrans-60.5-43175.1-84.8115.2000112.5K9 D11 L28 L30 L36 F79 D97 V99 A104 L105K9-W101 HydrophobicContact CB-CH2 4.02Å; K9-W101 HydrophobicContact CB-CZ3 4.07Å; K9-W101 HydrophobicContact CD-CD2 3.79Å; K9-W101 HydrophobicContact CD-CE3 4Å; K9-W101 HydrophobicContact CD-CG 4.3Å; K9-W101 HydrophobicContact CD-CH2 4.23Å; K9-W101 HydrophobicContact CD-CZ2 4.03Å; K9-W101 HydrophobicContact CD-CZ3 4.21Å; K9-W101 VanDerWaalsContact CE-CE2 3.42Å; K9-W101 VanDerWaalsContact CE-NE1 3.35Å; K9-W101 HydrophobicContact CG-CD2 4.45Å; K9-W101 HydrophobicContact CG-CE3 4.44Å; K9-W101 HydrophobicContact CG-CH2 3.83Å; K9-W101 HydrophobicContact CG-CZ2 3.82Å; K9-W101 HydrophobicContact CG-CZ3 4.14Å; D11-W101 HydrophobicContact CB-CZ2 3.67Å; L28-W101 HydrophobicContact CB-CH2 4.14Å; L28-W101 HydrophobicContact CB-CZ2 4.23Å; L28-W101 HydrophobicContact CD2-CD2 4.33Å; L28-W101 HydrophobicContact CD2-CE3 4.12Å; L28-W101 HydrophobicContact CD2-CH2 3.91Å; L28-W101 HydrophobicContact CD2-CZ2 4.11Å; L28-W101 HydrophobicContact CD2-CZ3 3.91Å; L28-W101 HydrophobicContact CG-CH2 3.92Å; L28-W101 HydrophobicContact CG-CZ2 4.36Å; L28-W101 HydrophobicContact CG-CZ3 4.2Å; L30-W101 HydrophobicContact CB-CZ3 3.87Å; L36-W101 HydrophobicContact CD1-CZ3 4.39Å; F79-W101 HydrophobicContact CD1-CB 4.32Å; F79-W101 HydrophobicContact CD2-CB 3.91Å; F79-W101 HydrophobicContact CE1-CB 4.11Å; F79-W101 AromaticContact CE1-CD1 3.77Å; F79-W101 AromaticContact CE1-CG 3.98Å; F79-W101 HydrophobicContact CE1-CG 3.98Å; F79-W101 HydrophobicContact CE2-CB 3.67Å; F79-W101 HydrophobicContact CE2-CD2 4.23Å; F79-W101 AromaticContact CE2-CG 3.84Å; F79-W101 HydrophobicContact CE2-CG 3.84Å; F79-W101 HydrophobicContact CG-CB 4.22Å; F79-W101 HydrophobicContact CZ-CB 3.77Å; F79-W101 AromaticContact CZ-CD1 3.64Å; F79-W101 AromaticContact CZ-CD2 3.98Å; F79-W101 HydrophobicContact CZ-CD2 3.98Å; F79-W101 AromaticContact CZ-CG 3.51Å; F79-W101 HydrophobicContact CZ-CG 3.51Å; D97-W101 PolarHBondContact O-N 3.39Å; V99-W101 VanDerWaalsContact C-N 3.32Å; V99-W101 PolarHBondContact O-N 2.95Å; W101-A104 PolarHBondContact O-N 3.35Å; W101-L105 WeakPolarHBondContact O-CB 3.37Å; W101-L105 VanDerWaalsContact O-CG 3.25Å; W101-L105 WeakPolarHBondContact O-CG 3.41Å; W101-L105 PolarHBondContact O-N 2.79Å
102R90Very high85.7Confident72 Ų7255.5 Ų55.527%0.27232%0.318SS..Hα-helixtrans-64.4-42.4177-73.4-178.4-64.3130.4-9.1112.3I60 S62 F79 A98 V99 V100 L105 S106I60-R102 HydrophobicContact CG2-CB 4.33Å; I60-R102 HydrophobicContact CG2-CG 4.05Å; S62-R102 VanDerWaalsContact OG-CZ 3.31Å; S62-R102 PolarHBondContact OG-NE 2.94Å; S62-R102 PolarHBondContact OG-NH1 3.14Å; F79-R102 HydrophobicContact CB-CG 3.94Å; A98-R102 VanDerWaalsContact O-CG 3.31Å; A98-R102 WeakPolarHBondContact O-CG 3.22Å; A98-R102 PolarHBondContact O-N 2.71Å; A98-R102 VanDerWaalsContact O-N 3.09Å; A98-R102 PolarHBondContact O-NE 3.46Å; V99-R102 PolarHBondContact O-N 2.93Å; V99-R102 VanDerWaalsContact O-N 3.14Å; V100-R102 PolarHBondContact O-N 3.49Å; R102-L105 PolarHBondContact O-N 3.22Å; R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.43Å; R102-S106 PolarHBondContact O-N 3.47Å
103L90Very high83.7Confident113 Ų11358.8 Ų58.859%0.59233%0.334SS*.Hα-helixtrans-61.5-48.5176.6-70.1173.7000110.8V99 V100 L105 S106 E107V99-L103 HydrophobicContact CG1-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CG 4.37Å; V99-L103 WeakPolarHBondContact O-CG 3.14Å; V99-L103 PolarHBondContact O-N 3.46Å; V100-L103 PolarHBondContact O-N 3.44Å; L103-L105 PolarHBondContact O-N 3.16Å; L103-S106 WeakPolarHBondContact O-CB 3.42Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 VanDerWaalsContact O-N 3.14Å; L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 PolarHBondContact O-N 2.92Å
104A89.3Confident81.4Confident12 Ų1259 Ų5910%0.09935%0.345CS..Hα-helixtrans-62.8-42.2179.100000112.4L30 V100 W101 S106 E107 V108L30-A104 HydrophobicContact CD2-CB 3.68Å; V100-A104 WeakPolarHBondContact O-CB 3.43Å; V100-A104 PolarHBondContact O-N 3.4Å; W101-A104 PolarHBondContact O-N 3.35Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.49Å; A104-E107 PolarHBondContact O-N 2.91Å; A104-V108 WeakPolarHBondContact O-CB 3.41Å; A104-V108 VanDerWaalsContact O-CG2 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.39Å; A104-V108 PolarHBondContact O-N 3.31Å
105L90.3Very high78.9Confident1 Ų168.2 Ų68.21%0.00538%0.375CS..Hα-helixtrans-64.3-37.2174.4-72.7170.6000112L30 L36 V53 I60 F79 L81 W101 R102 L103 K109L30-L105 HydrophobicContact CD1-CD2 4.27Å; L30-L105 HydrophobicContact CD2-CD2 4.48Å; L36-L105 HydrophobicContact CD1-CD2 4.26Å; L36-L105 HydrophobicContact CD2-CD2 4.14Å; V53-L105 HydrophobicContact CG1-CD2 4.33Å; V53-L105 HydrophobicContact CG2-CD2 4.02Å; I60-L105 HydrophobicContact CD1-CB 3.86Å; I60-L105 HydrophobicContact CG1-CB 4.41Å; F79-L105 HydrophobicContact CD2-CD1 4.24Å; F79-L105 HydrophobicContact CE2-CD1 4.4Å; L81-L105 HydrophobicContact CD2-CD1 4.35Å; L81-L105 HydrophobicContact CD2-CD2 4.32Å; W101-L105 WeakPolarHBondContact O-CB 3.37Å; W101-L105 VanDerWaalsContact O-CG 3.25Å; W101-L105 WeakPolarHBondContact O-CG 3.41Å; W101-L105 PolarHBondContact O-N 2.79Å; R102-L105 PolarHBondContact O-N 3.22Å; L103-L105 PolarHBondContact O-N 3.16Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 2.9Å
106S88.4Confident76.3Confident67 Ų6771 Ų7147%0.46938%0.379SS..Hα-helixtrans-70.2-40.6178.8-171.70000111.9I60 R102 L103 A104 K109 G110I60-S106 VanDerWaalsContact CD1-N 3.29Å; R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.43Å; R102-S106 PolarHBondContact O-N 3.47Å; L103-S106 WeakPolarHBondContact O-CB 3.42Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 VanDerWaalsContact O-N 3.14Å; A104-S106 VanDerWaalsContact C-N 3.32Å; A104-S106 PolarHBondContact O-N 3.49Å; S106-K109 PolarHBondContact O-N 3.37Å; S106-G110 PolarHBondContact O-N 3.1Å
107E84.9Confident73.3Confident133 Ų13376.3 Ų76.362%0.62139%0.391SS*.Hα-helixtrans-59.5-49.9173.8-178.2176.8-17800110.3L103 A104 K109 G110 M111L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 PolarHBondContact O-N 2.92Å; A104-E107 PolarHBondContact O-N 2.91Å; E107-K109 PolarHBondContact O-N 3.29Å; E107-G110 CarbonylContact O-C 3.54Å; E107-G110 PolarHBondContact O-N 2.98Å; E107-G110 VanDerWaalsContact O-N 3.13Å; E107-M111 PolarHBondContact O-N 2.77Å; E107-M111 VanDerWaalsContact O-N 3.1Å
108V84.1Confident70.5Confident0 Ų076 Ų760%039%0.39CS..Hα-helixtrans-64.4-39.6179160.30000112.6L8 L30 V53 P54 A104 G110 M111L8-V108 HydrophobicContact CD1-CG2 3.41Å; L8-V108 VanDerWaalsContact CD1-CG2 3.41Å; L30-V108 HydrophobicContact CD1-CB 4.48Å; L30-V108 HydrophobicContact CD1-CG1 4.25Å; L30-V108 HydrophobicContact CD1-CG2 4.08Å; L30-V108 HydrophobicContact CD2-CG2 3.95Å; L30-V108 HydrophobicContact CG-CG2 4.16Å; V53-V108 HydrophobicContact CB-CG1 3.75Å; V53-V108 HydrophobicContact CG1-CG1 3.95Å; V53-V108 HydrophobicContact CG2-CG1 4.45Å; P54-V108 HydrophobicContact CG-CG1 4.39Å; A104-V108 WeakPolarHBondContact O-CB 3.41Å; A104-V108 VanDerWaalsContact O-CG2 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.39Å; A104-V108 PolarHBondContact O-N 3.31Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.32Å; V108-M111 HydrophobicContact CB-CE 3.93Å; V108-M111 HydrophobicContact CG1-CE 3.73Å; V108-M111 HydrophobicContact CG2-CE 3.84Å; V108-M111 VanDerWaalsContact O-CB 3.29Å; V108-M111 WeakPolarHBondContact O-CB 3.11Å; V108-M111 PolarHBondContact O-N 3.25Å
109K84.7Confident67.7Low74 Ų7487.2 Ų87.232%0.32243%0.433SS..Hα-helixtrans-64.1-34.8175.2-176.3-174.8178.3-172.20111.6V53 C57 R58 I60 L105 S106 E107 M111V53-K109 HydrophobicContact CG1-CB 4.2Å; C57-K109 WeakPolarHBondContact O-CE 3.28Å; R58-K109 PolarHBondContact O-NZ 1.99Å; I60-K109 HydrophobicContact CD1-CD 4.14Å; I60-K109 HydrophobicContact CG1-CD 4.31Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 2.9Å; S106-K109 PolarHBondContact O-N 3.37Å; E107-K109 PolarHBondContact O-N 3.29Å; K109-M111 VanDerWaalsContact C-N 3.27Å
110G74.9Confident64.9Low63 Ų6391.5 Ų91.565%0.64945%0.45SS*.Hα-helixtrans-75.6-1317600000113.8S106 E107 V108 S112S106-G110 PolarHBondContact O-N 3.1Å; E107-G110 CarbonylContact O-C 3.54Å; E107-G110 PolarHBondContact O-N 2.98Å; E107-G110 VanDerWaalsContact O-N 3.13Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.32Å; G110-S112 PolarHBondContact O-N 3.17Å
111M69.3Low62.2Low66 Ų6691.2 Ų91.233%0.32545%0.45SS..SBendtrans-60.3115.3172.4-66.6-167.3-61.800108.4G32 E107 V108 K109 I113G32-M111 WeakPolarHBondContact O-CE 3.42Å; G32-M111 VanDerWaalsContact O-SD 3.4Å; E107-M111 PolarHBondContact O-N 2.77Å; E107-M111 VanDerWaalsContact O-N 3.1Å; V108-M111 HydrophobicContact CB-CE 3.93Å; V108-M111 HydrophobicContact CG1-CE 3.73Å; V108-M111 HydrophobicContact CG2-CE 3.84Å; V108-M111 VanDerWaalsContact O-CB 3.29Å; V108-M111 WeakPolarHBondContact O-CB 3.11Å; V108-M111 PolarHBondContact O-N 3.25Å; K109-M111 VanDerWaalsContact C-N 3.27Å; M111-I113 PolarHBondContact O-N 2.62Å
112S54.9Low59.6Low105 Ų10595.1 Ų95.173%0.73448%0.476SS*.  trans-62.797.616348.20000106.3G110 P114G110-S112 PolarHBondContact O-N 3.17Å; S112-P114 VanDerWaalsContact O-CD 3.24Å; S112-P114 WeakPolarHBondContact O-CD 3Å
113I49.8Very low57.3Low69 Ų6997.8 Ų97.835%0.35450%0.502SS..  trans-48.9121.8153.2-57.2171000103.2P54 R55 M111 R115P54-I113 HydrophobicContact CB-CD1 3.8Å; P54-I113 HydrophobicContact CB-CG1 3.88Å; P54-I113 HydrophobicContact CG-CD1 3.89Å; P54-I113 HydrophobicContact CG-CG1 3.88Å; R55-I113 HydrophobicContact CB-CD1 4.29Å; M111-I113 PolarHBondContact O-N 2.62Å; I113-R115 PolarHBondContact O-N 2.82Å
114P39.4Very low55.1Low107 Ų10799.8 Ų99.870%0.69551%0.508SS*.  trans-55.996.6175.5-21.531.4000106.2S112 Y116S112-P114 VanDerWaalsContact O-CD 3.24Å; S112-P114 WeakPolarHBondContact O-CD 3Å; P114-Y116 PolarHBondContact O-N 2.94Å
115R35.6Very low52.7Low226 Ų226101 Ų10185%0.85352%0.519SS*.  trans-67.891.7161.6-70.2-174-177.7-179.70.9100.8I113 R117I113-R115 PolarHBondContact O-N 2.82Å; R115-R117 PolarHBondContact O-N 3.31Å
116Y31.3Very low50.4Low105 Ų105106.3 Ų106.341%0.41255%0.553SS.*  trans-58.286.7160.362.5-72.1000103.5P114 V118 I161 P173 R174P114-Y116 PolarHBondContact O-N 2.94Å; Y116-V118 HydrophobicContact CD2-CG2 3.49Å; Y116-V118 VanDerWaalsContact CD2-CG2 3.49Å; Y116-V118 HydrophobicContact CE2-CG2 3.82Å; Y116-V118 PolarHBondContact O-N 2.95Å; Y116-I161 HydrophobicContact CD2-CG2 4.4Å; Y116-P173 WeakPolarHBondContact CE2-O 3.25Å; Y116-P173 PolarHBondContact OH-O 2.81Å; Y116-R174 WeakPolarHBondContact CE1-O 3.49Å; Y116-R174 WeakPolarHBondContact OH-CA 3.38Å; Y116-R174 PolarHBondContact OH-O 3.18Å
117R27.8Very low48.2Very low231 Ų231107.8 Ų107.887%0.87256%0.561SS**  trans-70.191.1165.2-108.4-158.2-80.1-144.5-0.7102.6R115 R119R115-R117 PolarHBondContact O-N 3.31Å; R117-R119 PolarHBondContact O-N 2.91Å
118V32.9Very low45.9Very low32 Ų32105.3 Ų105.319%0.19456%0.557CS.*  trans-54.9113.6166.1-1730000104.7Y116 M120 I161 I162 M172Y116-V118 HydrophobicContact CD2-CG2 3.49Å; Y116-V118 VanDerWaalsContact CD2-CG2 3.49Å; Y116-V118 HydrophobicContact CE2-CG2 3.82Å; Y116-V118 PolarHBondContact O-N 2.95Å; V118-M120 PolarHBondContact O-N 3.04Å; V118-I161 HydrophobicContact CG1-CG2 4.35Å; V118-I161 HydrophobicContact CG2-CG2 3.53Å; V118-I162 HydrophobicContact CG1-CD1 4.19Å; V118-I162 HydrophobicContact CG1-CG1 4.22Å; V118-M172 HydrophobicContact CB-CE 4.33Å; V118-M172 HydrophobicContact CB-SD 3.79Å; V118-M172 HydrophobicContact CG1-CE 4.03Å; V118-M172 HydrophobicContact CG1-SD 3.94Å; V118-M172 HydrophobicContact CG2-SD 3.67Å
119R30.8Very low43.4Very low237 Ų237108.6 Ų108.689%0.89459%0.59SS**  trans-63.399.3165.8-82.1-175.7176.5-121.33.3104.9R117 P121R117-R119 PolarHBondContact O-N 2.91Å; R119-P121 WeakPolarHBondContact O-CD 3.38Å
120M31.4Very low41.1Very low143 Ų143109.9 Ų109.970%0.70459%0.594SS**PPolyproline II helixtrans-59.3123167.8-64.7179.4-169.900106.3V118 M172V118-M120 PolarHBondContact O-N 3.04Å; M120-M172 HydrophobicContact CE-CE 4.28Å; M120-M172 HydrophobicContact CG-CE 4.17Å
121P34Very low39.3Very low59 Ų59110 Ų11038%0.38358%0.582SS.*PPolyproline II helixtrans-57.9145.7166.6-15.828.5000108.4R119 A125R119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-A125 HydrophobicContact CB-CB 3.52Å
122P38.3Very low37.6Very low83 Ų83113.8 Ų113.854%0.53960%0.604SS.*PPolyproline II helixtrans-51.2148.3168.7-2130.5000110.2E124 A125P122-E124 WeakPolarHBondContact CB-OE2 2.99Å; P122-E124 PolarHBondContact O-N 2.72Å; P122-A125 VanDerWaalsContact O-CB 3.23Å; P122-A125 WeakPolarHBondContact O-CB 2.95Å; P122-A125 PolarHBondContact O-N 2.75Å
123P41Very low36.7Very low128 Ų128110.9 Ų110.983%0.83159%0.59SS**THydrogen-bonded Turntrans-58.3-17.1179.420.3-28.1000113.2
124E44.4Very low36Very low154 Ų154113.4 Ų113.472%0.7261%0.609SS**THydrogen-bonded Turntrans-88.1-1.2175.1-44.782.8-168.300114.2P122P122-E124 WeakPolarHBondContact CB-OE2 2.99Å; P122-E124 PolarHBondContact O-N 2.72Å
125A38.7Very low36Very low38 Ų38112.6 Ų112.631%0.31460%0.599SS.*SBendtrans-66.9132.7178.800000110.5P121 P122P121-A125 HydrophobicContact CB-CB 3.52Å; P122-A125 VanDerWaalsContact O-CB 3.23Å; P122-A125 WeakPolarHBondContact O-CB 2.95Å; P122-A125 PolarHBondContact O-N 2.75Å
126P41.4Very low36.3Very low112 Ų112107 Ų10773%0.72758%0.579SS**PPolyproline II helixtrans-53.8136.9172-18.728.8000109P128P126-P128 VanDerWaalsContact O-CD 3.27Å; P126-P128 WeakPolarHBondContact O-CD 3.32Å
127P41.6Very low37Very low98 Ų98103.1 Ų103.164%0.63656%0.563SS**PPolyproline II helixtrans-54.3116.7-175.518.9-29.4000109.1G129 Y130P127-G129 VanDerWaalsContact C-N 3.29Å; P127-G129 PolarHBondContact O-N 3.48Å; P127-Y130 HydrophobicContact CB-CD2 3.68Å; P127-Y130 HydrophobicContact CB-CE2 3.87Å
128P37.5Very low37.6Very low82 Ų8299.7 Ų99.753%0.53256%0.557SS.*  trans-72.596.5172.928.4-28.1000105.4P126 Y130P126-P128 VanDerWaalsContact O-CD 3.27Å; P126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-Y130 VanDerWaalsContact C-N 3.26Å; P128-Y130 PolarHBondContact O-N 3.01Å
129G32.4Very low38.1Very low68 Ų68105 Ų10570%0.70158%0.575SS**  trans2165.1171.800000114P127 T131P127-G129 VanDerWaalsContact C-N 3.29Å; P127-G129 PolarHBondContact O-N 3.48Å; G129-T131 PolarHBondContact O-N 2.93Å
130Y35.6Very low38.7Very low101 Ų10195.4 Ų95.440%0.39655%0.546SS..  trans-62.7116.5170.6-70.9-80.4000104.7P127 P128 D132 Y170P127-Y130 HydrophobicContact CB-CD2 3.68Å; P127-Y130 HydrophobicContact CB-CE2 3.87Å; P128-Y130 VanDerWaalsContact C-N 3.26Å; P128-Y130 PolarHBondContact O-N 3.01Å; Y130-D132 PolarHBondContact O-N 3.22Å; Y130-Y170 HydrophobicContact CE1-CE1 4.06Å
131T36.2Very low39.6Very low65 Ų6589.2 Ų89.240%0.39952%0.516SS..  trans-54.1118.1160.147.50000105G129 G133 M156G129-T131 PolarHBondContact O-N 2.93Å; T131-G133 VanDerWaalsContact C-N 3.3Å; T131-G133 WeakPolarHBondContact O-CA 3.34Å; T131-G133 PolarHBondContact O-N 3.02Å; T131-M156 HydrophobicContact CG2-CE 3.18Å; T131-M156 HydrophobicContact CG2-SD 3.42Å; T131-M156 WeakPolarHBondContact CG2-SD 3.5Å
132D34.4Very low40.1Very low147 Ų14790.7 Ų90.779%0.78653%0.526SS*.  trans-46.5108.2166.6-177.410.9000106.1Y130 T134Y130-D132 PolarHBondContact O-N 3.22Å; D132-T134 PolarHBondContact O-N 3.47Å
133G36.2Very low40.5Very low44 Ų4488 Ų8845%0.45451%0.511SS..  trans-69.588.1-167.600000106.8T131 N135T131-G133 VanDerWaalsContact C-N 3.3Å; T131-G133 WeakPolarHBondContact O-CA 3.34Å; T131-G133 PolarHBondContact O-N 3.02Å; G133-N135 PolarHBondContact O-N 3.47Å
134T35.9Very low40.7Very low122 Ų12287 Ų8775%0.74850%0.495SS*.  trans-57.399.3148-4.90000103.7D132 Y136D132-T134 PolarHBondContact O-N 3.47Å; T134-Y136 PolarHBondContact O-N 2.87Å
135N39.4Very low40.8Very low89 Ų8981.5 Ų81.548%0.47647%0.472SS..  trans-40.5101.4-176-95.9-50.4000109.3G133 Y137G133-N135 PolarHBondContact O-N 3.47Å; N135-Y137 PolarHBondContact O-N 2.63Å; N135-Y137 VanDerWaalsContact O-N 3.13Å
136Y41.7Very low41.2Very low110 Ų11082.8 Ų82.843%0.43148%0.476SS..SBendtrans-62.8-17.9174-98-86.5000110.9T134 L149 Y150 A152T134-Y136 PolarHBondContact O-N 2.87Å; Y136-L149 HydrophobicContact CD1-CD2 4.24Å; Y136-L149 HydrophobicContact CG-CD2 4.36Å; Y136-Y150 WeakPolarHBondContact CE1-O 3.41Å; Y136-Y150 PolarHBondContact OH-O 3.14Å; Y136-A152 WeakPolarHBondContact OH-CA 3.42Å; Y136-A152 WeakPolarHBondContact OH-CB 3.47Å; Y136-A152 PolarHBondContact OH-N 3.49Å
137Y44.5Very low41.6Very low23 Ų2378.7 Ų78.79%0.0945%0.449CS..  trans-101.397.3173.6-51.3-76.6000109.1N135 V147 Y163 I186 I194N135-Y137 PolarHBondContact O-N 2.63Å; N135-Y137 VanDerWaalsContact O-N 3.13Å; Y137-V147 HydrophobicContact CD1-CG1 4.09Å; Y137-V147 HydrophobicContact CD1-CG2 4.36Å; Y137-V147 HydrophobicContact CE1-CB 3.9Å; Y137-V147 HydrophobicContact CE1-CG1 3.71Å; Y137-V147 HydrophobicContact CE1-CG2 3.89Å; Y137-Y163 HydrophobicContact CE2-CD1 4.06Å; Y137-Y163 HydrophobicContact CE2-CG 4.27Å; Y137-I186 VanDerWaalsContact OH-CD1 3.25Å; Y137-I186 WeakPolarHBondContact OH-CD1 3.39Å; Y137-I194 HydrophobicContact CD1-CD1 4.08Å; Y137-I194 HydrophobicContact CD2-CD1 3.77Å; Y137-I194 HydrophobicContact CE2-CD1 4.41Å; Y137-I194 HydrophobicContact CG-CD1 3.58Å
138Q40.2Very low41.8Very low159 Ų15976.7 Ų76.774%0.74344%0.436SS*.  trans-78.3-8.2168.5-103.6180-19.300112.8
139Y43.9Very low42.3Very low143 Ų14372.9 Ų72.956%0.56141%0.411SS*.SBendtrans-132.8148.1-169.4-53.8-73.9000111.4
140A44.4Very low42.7Very low35 Ų3577.6 Ų77.629%0.28941%0.409SS..  trans-64.3135.3170.400000109.6I194 C196A140-I194 WeakPolarHBondContact CA-O 3.47Å; A140-I194 WeakPolarHBondContact CB-O 3.37Å; A140-C196 HydrophobicContact CB-CB 3.89Å
141C49Very low42.9Very low13 Ų1379.9 Ų79.99%0.08842%0.423CS..BIsolated β-bridgetrans-132.3129.517756.80000110.2T145 L188 I194C141-T145 HydrophobicContact CB-CG2 3.86Å; C141-L188 HydrophobicContact CB-CD1 4.4Å; C141-L188 WeakPolarHBondContact SG-CD1 3.06Å; C141-I194 PolarHBondContact N-O 3.11Å; C141-I194 PolarHBondContact O-N 3.18Å; C141-I194 VanDerWaalsContact SG-CD1 3.55Å
142P46.4Very low42.9Very low91 Ų9178.4 Ų78.459%0.59142%0.418SS*.  trans-66.2166.6174.226.4-32.4000111.4T145P142-T145 WeakPolarHBondContact CD-OG1 3.32Å; P142-T145 WeakPolarHBondContact CG-OG1 3.47Å; P142-T145 VanDerWaalsContact O-CB 3.32Å; P142-T145 WeakPolarHBondContact O-CB 3.26Å; P142-T145 PolarHBondContact O-N 2.89Å; P142-T145 PolarHBondContact O-OG1 3.42Å
143A45.7Very low43Very low26 Ų2677.6 Ų77.622%0.21542%0.424CS..THydrogen-bonded Turntrans-53.7150.6168.900000110.4T145 E193A143-T145 PolarHBondContact O-N 2.86Å; A143-E193 HydrophobicContact CB-CG 3.93Å
144E44.3Very low43.1Very low107 Ų10778.2 Ų78.250%0.543%0.43SS..THydrogen-bonded Turntrans67.67.7-177.8-44.7-164.2138.300115R55 T146 L188R55-E144 IonicContact CZ-OE1 3.9Å; R55-E144 IonicContact NH1-OE1 3.1Å; R55-E144 PolarHBondContact NH1-OE1 3.11Å; R55-E144 IonicContact NH2-OE1 2.71Å; E144-T146 PolarHBondContact O-N 2.95Å; E144-L188 VanDerWaalsContact CA-O 3.24Å; E144-L188 WeakPolarHBondContact CA-O 3.47Å; E144-L188 PolarHBondContact N-O 3.27Å
145T48.2Very low43.1Very low38 Ų3875.8 Ų75.823%0.23343%0.429CS..  trans-66.8136.1172-55.20000110.9C141 P142 A143 V147 L188C141-T145 HydrophobicContact CB-CG2 3.86Å; P142-T145 WeakPolarHBondContact CD-OG1 3.32Å; P142-T145 WeakPolarHBondContact CG-OG1 3.47Å; P142-T145 VanDerWaalsContact O-CB 3.32Å; P142-T145 WeakPolarHBondContact O-CB 3.26Å; P142-T145 PolarHBondContact O-N 2.89Å; P142-T145 PolarHBondContact O-OG1 3.42Å; A143-T145 PolarHBondContact O-N 2.86Å; T145-V147 HydrophobicContact CG2-CG2 3.9Å; T145-L188 PolarHBondContact O-N 3.44Å; T145-L188 VanDerWaalsContact O-N 3.11Å
146T46.1Very low43.1Very low65 Ų6575.8 Ų75.840%0.39943%0.427SS..EExtended strand (participates in β ladder)trans-98.9113.4177.6-62.10000108.5E144 T185 I186E144-T146 PolarHBondContact O-N 2.95Å; T146-T185 HydrophobicContact CG2-CG2 3.03Å; T146-I186 CarbonylContact C-O 3.57Å; T146-I186 VanDerWaalsContact CA-O 3.26Å; T146-I186 WeakPolarHBondContact CA-O 3.38Å
147V50Low43Very low26 Ų2682.4 Ų82.416%0.15845%0.451CS..EExtended strand (participates in β ladder)trans-117.6123.6-175.1-168.90000110.4Y137 T145 T185 I186Y137-V147 HydrophobicContact CD1-CG1 4.09Å; Y137-V147 HydrophobicContact CD1-CG2 4.36Å; Y137-V147 HydrophobicContact CE1-CB 3.9Å; Y137-V147 HydrophobicContact CE1-CG1 3.71Å; Y137-V147 HydrophobicContact CE1-CG2 3.89Å; T145-V147 HydrophobicContact CG2-CG2 3.9Å; V147-T185 CarbonylContact O-C 3.56Å; V147-T185 WeakPolarHBondContact O-CA 3.32Å; V147-I186 PolarHBondContact N-O 3.18Å; V147-I186 PolarHBondContact O-N 2.85Å
148P44.9Very low43Very low56 Ų5689.2 Ų89.236%0.36448%0.484SS..EExtended strand (participates in β ladder)trans-71.2130.9171.229.8-32.3000109.9Y150P148-Y150 HydrophobicContact CB-CE2 4.06Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å
149L48.7Very low43.3Very low3 Ų384.3 Ų84.32%0.01647%0.465CS..EExtended strand (participates in β ladder)trans-101.3107.1168.7-68.2162.2000108.3Y136 Y163 R184 I186Y136-L149 HydrophobicContact CD1-CD2 4.24Å; Y136-L149 HydrophobicContact CG-CD2 4.36Å; L149-Y163 HydrophobicContact CD1-CE1 4.42Å; L149-Y163 HydrophobicContact CD2-CE1 4.35Å; L149-R184 HydrophobicContact CB-CG 3.71Å; L149-R184 HydrophobicContact CD1-CG 3.79Å; L149-R184 VanDerWaalsContact CD1-NH2 3.3Å; L149-R184 HydrophobicContact CG-CG 4.4Å; L149-R184 PolarHBondContact N-O 3.5Å; L149-I186 HydrophobicContact CD1-CD1 3.04Å; L149-I186 HydrophobicContact CD1-CG1 3.56Å; L149-I186 HydrophobicContact CD2-CD1 4.15Å; L149-I186 HydrophobicContact CG-CD1 3.84Å; L149-I186 HydrophobicContact CG-CG1 4.41Å
150Y41.8Very low43.4Very low167 Ų16779.4 Ų79.466%0.65545%0.451SS*.PPolyproline II helixtrans-71.1133168-60.1-78.4000108.9Y136 P148 A152Y136-Y150 WeakPolarHBondContact CE1-O 3.41Å; Y136-Y150 PolarHBondContact OH-O 3.14Å; P148-Y150 HydrophobicContact CB-CE2 4.06Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å; Y150-A152 PolarHBondContact O-N 2.83Å
151Q38.3Very low43.7Very low148 Ų14881.7 Ų81.769%0.69246%0.457SS*.PPolyproline II helixtrans-46.8124179.7-169.7174.4-0.600110.1S153Q151-S153 PolarHBondContact O-N 2.92Å
152A37.5Very low43.7Very low34 Ų3482.3 Ų82.328%0.28146%0.459SS..PPolyproline II helixtrans-56.6125.2173.400000109.1Y136 Y150 G154Y136-A152 WeakPolarHBondContact OH-CA 3.42Å; Y136-A152 WeakPolarHBondContact OH-CB 3.47Å; Y136-A152 PolarHBondContact OH-N 3.49Å; Y150-A152 PolarHBondContact O-N 2.83Å; A152-G154 PolarHBondContact O-N 2.71Å
153S35.5Very low44Very low131 Ų13179 Ų7992%0.91644%0.435SS*.SBendtrans-58.783.3168.5420000108.9Q151Q151-S153 PolarHBondContact O-N 2.92Å
154G39Very low44.1Very low57 Ų5785.6 Ų85.659%0.58845%0.454SS*.SBendtrans161.538.1-173.600000115.9A152 M156A152-G154 PolarHBondContact O-N 2.71Å; G154-M156 PolarHBondContact O-N 3.39Å
155G36.6Very low44.3Very low70 Ų7080.7 Ų80.772%0.72243%0.433SS*.  trans57.29.4161.800000117.6R157G155-R157 PolarHBondContact O-N 3.1Å; G155-R157 VanDerWaalsContact O-N 3.08Å
156M38.9Very low44.1Very low89 Ų8981 Ų8144%0.43844%0.436SS..  trans-79101.5-172.5-144.7176.5-77.800108.4T131 G154 E158T131-M156 HydrophobicContact CG2-CE 3.18Å; T131-M156 HydrophobicContact CG2-SD 3.42Å; T131-M156 WeakPolarHBondContact CG2-SD 3.5Å; G154-M156 PolarHBondContact O-N 3.39Å; M156-E158 WeakPolarHBondContact CG-O 3.47Å; M156-E158 PolarHBondContact O-N 2.92Å
157R39.5Very low44.2Very low249 Ų24981.2 Ų81.294%0.9444%0.435SS*.SBendtrans-73.4-16.8-178.5-72.7-174.9169.6-161.4-3.4113.3G155G155-R157 PolarHBondContact O-N 3.1Å; G155-R157 VanDerWaalsContact O-N 3.08Å
158E43.4Very low44.2Very low167 Ų16781.3 Ų81.378%0.7844%0.442SS*.SBendtrans-121.7122.3177.8-65.8179.4-17300107.3M156M156-E158 WeakPolarHBondContact CG-O 3.47Å; M156-E158 PolarHBondContact O-N 2.92Å
159V46.4Very low44.4Very low55 Ų5584.9 Ų84.933%0.33345%0.454SS..  trans-105.1133.8174.5-167.80000109.6I161V159-I161 PolarHBondContact O-N 3.19Å
160P46.9Very low44.6Very low41 Ų4191.2 Ų91.227%0.26648%0.478SS..  trans-50135.5178.314.8-31.5000113.5I162 Y163P160-I162 PolarHBondContact O-N 3.25Å; P160-Y163 VanDerWaalsContact O-CZ 3.31Å; P160-Y163 PolarHBondContact O-OH 2.71Å
161I49.8Very low45.2Very low83 Ų8383.6 Ų83.643%0.42645%0.449SS..SBendtrans-78-1.3175.1-49.8169.6000110.4Y116 V118 V159 P173Y116-I161 HydrophobicContact CD2-CG2 4.4Å; V118-I161 HydrophobicContact CG1-CG2 4.35Å; V118-I161 HydrophobicContact CG2-CG2 3.53Å; V159-I161 PolarHBondContact O-N 3.19Å; I161-P173 WeakPolarHBondContact O-CD 3.44Å
162I50.5Low46Very low25 Ų2578 Ų7813%0.12842%0.423CS..  trans-130123.9-176.5-47.7-179.4000107.7V118 P160 Y170 M172V118-I162 HydrophobicContact CG1-CD1 4.19Å; V118-I162 HydrophobicContact CG1-CG1 4.22Å; P160-I162 PolarHBondContact O-N 3.25Å; I162-Y170 HydrophobicContact CG2-CD1 3.64Å; I162-Y170 HydrophobicContact CG2-CG 4.03Å; I162-M172 HydrophobicContact CB-CE 4.27Å; I162-M172 HydrophobicContact CD1-CE 3.35Å; I162-M172 HydrophobicContact CD1-SD 4.5Å; I162-M172 HydrophobicContact CG1-CE 3.41Å; I162-M172 VanDerWaalsContact CG1-CE 3.41Å; I162-M172 HydrophobicContact CG1-SD 3.99Å; I162-M172 HydrophobicContact CG2-CE 4Å
163Y51.6Low47Very low22 Ų2276.5 Ų76.59%0.08641%0.41CS..EExtended strand (participates in β ladder)trans-104.1152.6177.9-60.8-92.1000108.9Y137 L149 P160 Y170 I171 P173 R184 I186Y137-Y163 HydrophobicContact CE2-CD1 4.06Å; Y137-Y163 HydrophobicContact CE2-CG 4.27Å; L149-Y163 HydrophobicContact CD1-CE1 4.42Å; L149-Y163 HydrophobicContact CD2-CE1 4.35Å; P160-Y163 VanDerWaalsContact O-CZ 3.31Å; P160-Y163 PolarHBondContact O-OH 2.71Å; Y163-Y170 CarbonylContact O-C 3.48Å; Y163-Y170 WeakPolarHBondContact O-CA 3.47Å; Y163-I171 PolarHBondContact N-O 2.8Å; Y163-I171 PolarHBondContact O-N 2.85Å; Y163-P173 HydrophobicContact CD2-CG 4.37Å; Y163-P173 HydrophobicContact CE2-CB 4.48Å; Y163-P173 HydrophobicContact CE2-CG 3.89Å; Y163-R184 PolarHBondContact OH-NH1 2.91Å; Y163-I186 HydrophobicContact CD2-CD1 4.19Å; Y163-I186 HydrophobicContact CE1-CD1 3.88Å; Y163-I186 HydrophobicContact CE2-CD1 3.45Å; Y163-I186 VanDerWaalsContact CE2-CD1 3.45Å; Y163-I186 WeakPolarHBondContact OH-CD1 3.29Å
164R48.3Very low48Very low164 Ų16473.5 Ų73.562%0.61938%0.379SS*.EExtended strand (participates in β ladder)trans-94.9117.8168.9-165176.1-174.8-165.5-1.4107.7Q169R164-Q169 CarbonylContact C-O 3.44Å
165G47.9Very low48.8Very low5 Ų575.2 Ų75.25%0.05237%0.371CS..  trans-65.4164.1171.500000111.9D167 G168 Q169G165-D167 PolarHBondContact O-N 3.36Å; G165-G168 WeakPolarHBondContact O-CA 3.37Å; G165-G168 PolarHBondContact O-N 3.07Å; G165-Q169 PolarHBondContact N-O 2.77Å
166S44.8Very low49.9Very low44 Ų4474.9 Ų74.931%0.30835%0.352SS..THydrogen-bonded Turntrans-62.9-24.5178.6550000113.1H197S166-H197 PolarHBondContact O-NE2 3.33Å
167D47.4Very low50.6Low69 Ų6973.3 Ų73.337%0.36935%0.345SS..THydrogen-bonded Turntrans-82.10.3173.763.2-10.7000113.3G165 Q169G165-D167 PolarHBondContact O-N 3.36Å; D167-Q169 PolarHBondContact O-N 3.16Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.17Å; D167-Q169 PolarHBondContact OD1-N 2.81Å; D167-Q169 VanDerWaalsContact OD2-CG 3.27Å; D167-Q169 WeakPolarHBondContact OD2-CG 3.32Å
168G50.2Low51.2Low29 Ų2967.8 Ų67.830%0.29933%0.33SS..SBendtrans79-0.3-17500000114.3G165G165-G168 WeakPolarHBondContact O-CA 3.37Å; G165-G168 PolarHBondContact O-N 3.07Å
169Q49.6Very low51.4Low131 Ų13163 Ų6361%0.61231%0.308SS*.  trans-76.3155.1175.8-66.1-1624.500111.6R164 G165 D167 I171R164-Q169 CarbonylContact C-O 3.44Å; G165-Q169 PolarHBondContact N-O 2.77Å; D167-Q169 PolarHBondContact O-N 3.16Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.17Å; D167-Q169 PolarHBondContact OD1-N 2.81Å; D167-Q169 VanDerWaalsContact OD2-CG 3.27Å; D167-Q169 WeakPolarHBondContact OD2-CG 3.32Å; Q169-I171 PolarHBondContact O-N 3.05Å
170Y53.5Low51.2Low136 Ų13666.6 Ų66.653%0.53333%0.332SS..EExtended strand (participates in β ladder)trans-84.4115.8178.1-65.7-73.5000110.2Y130 I162 Y163Y130-Y170 HydrophobicContact CE1-CE1 4.06Å; I162-Y170 HydrophobicContact CG2-CD1 3.64Å; I162-Y170 HydrophobicContact CG2-CG 4.03Å; Y163-Y170 CarbonylContact O-C 3.48Å; Y163-Y170 WeakPolarHBondContact O-CA 3.47Å
171I54.2Low51.3Low7 Ų770.4 Ų70.44%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-92.4124.9177-68.9172.6000109.3Y163 Q169 L188 N192 I194Y163-I171 PolarHBondContact N-O 2.8Å; Y163-I171 PolarHBondContact O-N 2.85Å; Q169-I171 PolarHBondContact O-N 3.05Å; I171-L188 HydrophobicContact CG2-CD2 3.61Å; I171-N192 HydrophobicContact CG2-CB 3.92Å; I171-I194 HydrophobicContact CD1-CD1 3.77Å; I171-I194 HydrophobicContact CD1-CG1 3.55Å
172M55.3Low50.9Low31 Ų3169.1 Ų69.115%0.15336%0.357CS..  trans-105.8118.3175.6-67.1-105.3175.700108.8V118 M120 I162 R174 N192V118-M172 HydrophobicContact CB-CE 4.33Å; V118-M172 HydrophobicContact CB-SD 3.79Å; V118-M172 HydrophobicContact CG1-CE 4.03Å; V118-M172 HydrophobicContact CG1-SD 3.94Å; V118-M172 HydrophobicContact CG2-SD 3.67Å; M120-M172 HydrophobicContact CE-CE 4.28Å; M120-M172 HydrophobicContact CG-CE 4.17Å; I162-M172 HydrophobicContact CB-CE 4.27Å; I162-M172 HydrophobicContact CD1-CE 3.35Å; I162-M172 HydrophobicContact CD1-SD 4.5Å; I162-M172 HydrophobicContact CG1-CE 3.41Å; I162-M172 VanDerWaalsContact CG1-CE 3.41Å; I162-M172 HydrophobicContact CG1-SD 3.99Å; I162-M172 HydrophobicContact CG2-CE 4Å; M172-R174 PolarHBondContact O-N 2.83Å; M172-N192 PolarHBondContact N-OD1 2.81Å; M172-N192 VanDerWaalsContact O-CG 3.3Å; M172-N192 PolarHBondContact O-ND2 3.24Å; M172-N192 VanDerWaalsContact O-ND2 3.14Å; M172-N192 PolarHBondContact O-OD1 2.68Å
173P58.6Low50.7Low1 Ų169.1 Ų69.11%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-64.7135.7176.531.7-35.2000109Y116 I161 Y163 Q175 I176 I186 I187Y116-P173 WeakPolarHBondContact CE2-O 3.25Å; Y116-P173 PolarHBondContact OH-O 2.81Å; I161-P173 WeakPolarHBondContact O-CD 3.44Å; Y163-P173 HydrophobicContact CD2-CG 4.37Å; Y163-P173 HydrophobicContact CE2-CB 4.48Å; Y163-P173 HydrophobicContact CE2-CG 3.89Å; P173-Q175 VanDerWaalsContact C-N 3.3Å; P173-I176 HydrophobicContact CB-CG1 4.13Å; P173-I176 HydrophobicContact CG-CD1 3.85Å; P173-I176 HydrophobicContact CG-CG1 3.86Å; P173-I186 HydrophobicContact CB-CB 4.23Å; P173-I186 HydrophobicContact CB-CD1 4.27Å; P173-I186 HydrophobicContact CB-CG1 3.87Å; P173-I186 HydrophobicContact CB-CG2 3.4Å; P173-I187 CarbonylContact C-O 3.39Å
174R55.2Low50.6Low68 Ų6869.6 Ų69.626%0.25736%0.361SS..EExtended strand (participates in β ladder)trans-62.5-36.6172.7-176.8-175.7173.877.314.3112.6R55 Y116 M172 I187R55-R174 VanDerWaalsContact NE-CZ 3.3Å; R55-R174 VanDerWaalsContact NE-NH1 3.16Å; R55-R174 VanDerWaalsContact NH1-CZ 3.28Å; Y116-R174 WeakPolarHBondContact CE1-O 3.49Å; Y116-R174 WeakPolarHBondContact OH-CA 3.38Å; Y116-R174 PolarHBondContact OH-O 3.18Å; M172-R174 PolarHBondContact O-N 2.83Å; R174-I187 WeakPolarHBondContact CA-O 3.19Å; R174-I187 HydrophobicContact CB-CG2 4.42Å; R174-I187 VanDerWaalsContact CB-O 3.29Å; R174-I187 WeakPolarHBondContact CB-O 3.14Å; R174-I187 PolarHBondContact N-O 2.74Å
175Q56.4Low50.9Low93 Ų9362.4 Ų62.444%0.43534%0.335SS..EExtended strand (participates in β ladder)trans-154.5146.9-178.9-173.2174.1-7.300108.5P173 I177 I186 I187P173-Q175 VanDerWaalsContact C-N 3.3Å; Q175-I177 HydrophobicContact CG-CG1 4.33Å; Q175-I186 CarbonylContact O-C 3.4Å; Q175-I186 WeakPolarHBondContact O-CA 3.29Å; Q175-I187 HydrophobicContact CB-CB 4.02Å; Q175-I187 HydrophobicContact CB-CD1 4.04Å; Q175-I187 HydrophobicContact CB-CG1 4.15Å; Q175-I187 HydrophobicContact CG-CD1 4.41Å; Q175-I187 PolarHBondContact N-O 2.76Å; Q175-I187 PolarHBondContact O-N 2.74Å
176I58.9Low51.4Low63 Ų6362.1 Ų62.132%0.32333%0.333SS..EExtended strand (participates in β ladder)trans-121.1118.7169.9-53.1176.8000106.1P173 R184 T185 I186P173-I176 HydrophobicContact CB-CG1 4.13Å; P173-I176 HydrophobicContact CG-CD1 3.85Å; P173-I176 HydrophobicContact CG-CG1 3.86Å; I176-R184 HydrophobicContact CG2-CB 4.11Å; I176-R184 HydrophobicContact CG2-CG 4.49Å; I176-T185 CarbonylContact C-O 3.57Å; I176-T185 WeakPolarHBondContact CA-O 3.4Å; I176-I186 HydrophobicContact CG1-CG1 4.15Å
177I53.4Low52.1Low57 Ų5761.5 Ų61.529%0.29233%0.326SS..EExtended strand (participates in β ladder)trans-96.2123.5174.8-60.2172.3000106.9Q175 R184 T185 I187Q175-I177 HydrophobicContact CG-CG1 4.33Å; I177-R184 CarbonylContact O-C 3.59Å; I177-R184 WeakPolarHBondContact O-CA 3.43Å; I177-R184 WeakPolarHBondContact O-CB 3.34Å; I177-T185 HydrophobicContact CD1-CG2 4.46Å; I177-T185 PolarHBondContact N-O 3.04Å; I177-T185 PolarHBondContact O-N 3.19Å; I177-I187 HydrophobicContact CD1-CD1 4.1Å; I177-I187 HydrophobicContact CD1-CG1 4.49Å
178E53.4Low52.7Low133 Ų13358.2 Ų58.262%0.62131%0.308SS*.EExtended strand (participates in β ladder)trans-95.4128173.2-66.7175.3171.400109.7
179H48.1Very low52.8Low67 Ų6757 Ų5731%0.3130%0.296SS..PPolyproline II helixtrans-93.8156.6178.6-63.5-71.7000111.1D181 G182 S183 T185H179-D181 WeakPolarHBondContact CB-OD1 3.24Å; H179-D181 PolarHBondContact O-N 3.02Å; H179-G182 PolarHBondContact O-N 3.1Å; H179-S183 WeakPolarHBondContact CB-O 3.18Å; H179-S183 WeakPolarHBondContact CB-OG 3.32Å; H179-S183 PolarHBondContact CD2-OG 2.65Å; H179-S183 PolarHBondContact N-O 3.1Å; H179-T185 WeakPolarHBondContact NE2-CB 3.35Å; H179-T185 PolarHBondContact NE2-OG1 3.2Å
180P40.9Very low52.8Low129 Ų12955.6 Ų55.684%0.83829%0.293SS*.THydrogen-bonded Turntrans-62.2-22.8-178.8-20.832.3000114.5G182P180-G182 PolarHBondContact O-N 3.22Å
181D48.3Very low52.7Low122 Ų12252.3 Ų52.365%0.65230%0.301SS*.THydrogen-bonded Turntrans-80.60.8176.966.4-14000113.1H179 S183H179-D181 WeakPolarHBondContact CB-OD1 3.24Å; H179-D181 PolarHBondContact O-N 3.02Å; D181-S183 VanDerWaalsContact CG-OG 3.24Å; D181-S183 PolarHBondContact O-N 3.45Å; D181-S183 VanDerWaalsContact OD1-CB 3.24Å; D181-S183 WeakPolarHBondContact OD1-CB 3.38Å; D181-S183 PolarHBondContact OD1-N 3.13Å; D181-S183 PolarHBondContact OD1-OG 3.44Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; D181-S183 VanDerWaalsContact OD2-OG 3.1Å
182G43.3Very low52.4Low56 Ų5653.5 Ų53.558%0.57731%0.307SS*.SBendtrans79.6-0.8-175.400000113.6H179 P180H179-G182 PolarHBondContact O-N 3.1Å; P180-G182 PolarHBondContact O-N 3.22Å
183S45.8Very low52.2Low25 Ų2556.7 Ų56.718%0.17532%0.322CS..  trans-71.6160.8166.877.50000109.7H179 D181H179-S183 WeakPolarHBondContact CB-O 3.18Å; H179-S183 WeakPolarHBondContact CB-OG 3.32Å; H179-S183 PolarHBondContact CD2-OG 2.65Å; H179-S183 PolarHBondContact N-O 3.1Å; D181-S183 VanDerWaalsContact CG-OG 3.24Å; D181-S183 PolarHBondContact O-N 3.45Å; D181-S183 VanDerWaalsContact OD1-CB 3.24Å; D181-S183 WeakPolarHBondContact OD1-CB 3.38Å; D181-S183 PolarHBondContact OD1-N 3.13Å; D181-S183 PolarHBondContact OD1-OG 3.44Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; D181-S183 VanDerWaalsContact OD2-OG 3.1Å
184R49.3Very low51.9Low31 Ų3157.1 Ų57.112%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-139.5148.3179.165.1-163.2163.6103.821.3110.4L149 Y163 I176 I177L149-R184 HydrophobicContact CB-CG 3.71Å; L149-R184 HydrophobicContact CD1-CG 3.79Å; L149-R184 VanDerWaalsContact CD1-NH2 3.3Å; L149-R184 HydrophobicContact CG-CG 4.4Å; L149-R184 PolarHBondContact N-O 3.5Å; Y163-R184 PolarHBondContact OH-NH1 2.91Å; I176-R184 HydrophobicContact CG2-CB 4.11Å; I176-R184 HydrophobicContact CG2-CG 4.49Å; I177-R184 CarbonylContact O-C 3.59Å; I177-R184 WeakPolarHBondContact O-CA 3.43Å; I177-R184 WeakPolarHBondContact O-CB 3.34Å
185T54.1Low51.6Low13 Ų1356.9 Ų56.98%0.0833%0.331CS..EExtended strand (participates in β ladder)trans-120.2123.7-178.3-77.40000109.3T146 V147 I176 I177 H179T146-T185 HydrophobicContact CG2-CG2 3.03Å; V147-T185 CarbonylContact O-C 3.56Å; V147-T185 WeakPolarHBondContact O-CA 3.32Å; I176-T185 CarbonylContact C-O 3.57Å; I176-T185 WeakPolarHBondContact CA-O 3.4Å; I177-T185 HydrophobicContact CD1-CG2 4.46Å; I177-T185 PolarHBondContact N-O 3.04Å; I177-T185 PolarHBondContact O-N 3.19Å; H179-T185 WeakPolarHBondContact NE2-CB 3.35Å; H179-T185 PolarHBondContact NE2-OG1 3.2Å
186I59.2Low51.4Low0 Ų053.8 Ų53.80%032%0.319CS..EExtended strand (participates in β ladder)trans-89.8137.6173.6-80.2163.8000110Y137 T146 V147 L149 Y163 P173 Q175 I176 L188Y137-I186 VanDerWaalsContact OH-CD1 3.25Å; Y137-I186 WeakPolarHBondContact OH-CD1 3.39Å; T146-I186 CarbonylContact C-O 3.57Å; T146-I186 VanDerWaalsContact CA-O 3.26Å; T146-I186 WeakPolarHBondContact CA-O 3.38Å; V147-I186 PolarHBondContact N-O 3.18Å; V147-I186 PolarHBondContact O-N 2.85Å; L149-I186 HydrophobicContact CD1-CD1 3.04Å; L149-I186 HydrophobicContact CD1-CG1 3.56Å; L149-I186 HydrophobicContact CD2-CD1 4.15Å; L149-I186 HydrophobicContact CG-CD1 3.84Å; L149-I186 HydrophobicContact CG-CG1 4.41Å; Y163-I186 HydrophobicContact CD2-CD1 4.19Å; Y163-I186 HydrophobicContact CE1-CD1 3.88Å; Y163-I186 HydrophobicContact CE2-CD1 3.45Å; Y163-I186 VanDerWaalsContact CE2-CD1 3.45Å; Y163-I186 WeakPolarHBondContact OH-CD1 3.29Å; P173-I186 HydrophobicContact CB-CB 4.23Å; P173-I186 HydrophobicContact CB-CD1 4.27Å; P173-I186 HydrophobicContact CB-CG1 3.87Å; P173-I186 HydrophobicContact CB-CG2 3.4Å; Q175-I186 CarbonylContact O-C 3.4Å; Q175-I186 WeakPolarHBondContact O-CA 3.29Å; I176-I186 HydrophobicContact CG1-CG1 4.15Å; I186-L188 HydrophobicContact CG2-CD2 3.76Å; I186-L188 HydrophobicContact CG2-CG 4.07Å
187I59Low51Low30 Ų3057.7 Ų57.715%0.15434%0.336CS..EExtended strand (participates in β ladder)trans-103.2124.7160.9-53.2-175.8000107.2P173 R174 Q175 I177P173-I187 CarbonylContact C-O 3.39Å; R174-I187 WeakPolarHBondContact CA-O 3.19Å; R174-I187 HydrophobicContact CB-CG2 4.42Å; R174-I187 VanDerWaalsContact CB-O 3.29Å; R174-I187 WeakPolarHBondContact CB-O 3.14Å; R174-I187 PolarHBondContact N-O 2.74Å; Q175-I187 HydrophobicContact CB-CB 4.02Å; Q175-I187 HydrophobicContact CB-CD1 4.04Å; Q175-I187 HydrophobicContact CB-CG1 4.15Å; Q175-I187 HydrophobicContact CG-CD1 4.41Å; Q175-I187 PolarHBondContact N-O 2.76Å; Q175-I187 PolarHBondContact O-N 2.74Å; I177-I187 HydrophobicContact CD1-CD1 4.1Å; I177-I187 HydrophobicContact CD1-CG1 4.49Å
188L59.9Low50.9Low0 Ų056.4 Ų56.40%033%0.331CS..EExtended strand (participates in β ladder)trans-82.6138.6174.8-64.1172.5000110.4C141 E144 T145 I171 I186 N192C141-L188 HydrophobicContact CB-CD1 4.4Å; C141-L188 WeakPolarHBondContact SG-CD1 3.06Å; E144-L188 VanDerWaalsContact CA-O 3.24Å; E144-L188 WeakPolarHBondContact CA-O 3.47Å; E144-L188 PolarHBondContact N-O 3.27Å; T145-L188 PolarHBondContact O-N 3.44Å; T145-L188 VanDerWaalsContact O-N 3.11Å; I171-L188 HydrophobicContact CG2-CD2 3.61Å; I186-L188 HydrophobicContact CG2-CD2 3.76Å; I186-L188 HydrophobicContact CG2-CG 4.07Å; L188-N192 HydrophobicContact CB-CB 4.45Å; L188-N192 HydrophobicContact CD2-CB 4.47Å
189G52.8Low50.9Low5 Ų562.1 Ų62.15%0.05235%0.347CS..PPolyproline II helixtrans-89.3161.9177.800000112.2G191 N192G189-G191 PolarHBondContact O-N 3.13Å; G189-N192 VanDerWaalsContact O-CB 3.29Å; G189-N192 WeakPolarHBondContact O-CB 3.12Å; G189-N192 PolarHBondContact O-N 2.8Å; G189-N192 PolarHBondContact O-ND2 3.42Å
190D50Low51Low100 Ų10066 Ų6654%0.53537%0.365SS..THydrogen-bonded Turntrans-46.5131.5170.6-40.7-16.5000110.4R55 N192R55-D190 IonicContact CZ-OD2 3.92Å; R55-D190 IonicContact NH2-OD1 3.48Å; R55-D190 PolarHBondContact NH2-OD1 3.17Å; R55-D190 VanDerWaalsContact NH2-OD1 3.1Å; R55-D190 IonicContact NH2-OD2 2.7Å; R55-D190 PolarHBondContact NH2-OD2 2.86Å; D190-N192 VanDerWaalsContact C-N 3.33Å
191G50Low51.2Low68 Ų6861.6 Ų61.670%0.70134%0.343SS*.THydrogen-bonded Turntrans83.8-2.8-175.800000115.8G189G189-G191 PolarHBondContact O-N 3.13Å
192N49.3Very low50.9Low32 Ų3265.5 Ų65.517%0.17135%0.35CS..  trans-102.630.5169.7-61.3-78000112I171 M172 L188 G189 D190I171-N192 HydrophobicContact CG2-CB 3.92Å; M172-N192 PolarHBondContact N-OD1 2.81Å; M172-N192 VanDerWaalsContact O-CG 3.3Å; M172-N192 PolarHBondContact O-ND2 3.24Å; M172-N192 VanDerWaalsContact O-ND2 3.14Å; M172-N192 PolarHBondContact O-OD1 2.68Å; L188-N192 HydrophobicContact CB-CB 4.45Å; L188-N192 HydrophobicContact CD2-CB 4.47Å; G189-N192 VanDerWaalsContact O-CB 3.29Å; G189-N192 WeakPolarHBondContact O-CB 3.12Å; G189-N192 PolarHBondContact O-N 2.8Å; G189-N192 PolarHBondContact O-ND2 3.42Å; D190-N192 VanDerWaalsContact C-N 3.33Å
193E50.7Low51.1Low98 Ų9873.1 Ų73.146%0.45836%0.363SS..  trans-63.8137.4176.1-64.2172.4-158.400109.3A143 P195A143-E193 HydrophobicContact CB-CG 3.93Å; E193-P195 WeakPolarHBondContact O-CD 3.29Å
194I52.7Low51.1Low10 Ų1072.7 Ų72.75%0.05136%0.36CS..BIsolated β-bridgetrans-99.198.1173.1-56.9-175.6000107.1Y137 A140 C141 I171Y137-I194 HydrophobicContact CD1-CD1 4.08Å; Y137-I194 HydrophobicContact CD2-CD1 3.77Å; Y137-I194 HydrophobicContact CE2-CD1 4.41Å; Y137-I194 HydrophobicContact CG-CD1 3.58Å; A140-I194 WeakPolarHBondContact CA-O 3.47Å; A140-I194 WeakPolarHBondContact CB-O 3.37Å; C141-I194 PolarHBondContact N-O 3.11Å; C141-I194 PolarHBondContact O-N 3.18Å; C141-I194 VanDerWaalsContact SG-CD1 3.55Å; I171-I194 HydrophobicContact CD1-CD1 3.77Å; I171-I194 HydrophobicContact CD1-CG1 3.55Å
195P49Very low50.9Low63 Ų6373.5 Ų73.541%0.40938%0.378SS..  trans-68.9140.7178.428.2-34000110.2E193 H197E193-P195 WeakPolarHBondContact O-CD 3.29Å; P195-H197 PolarHBondContact O-N 2.62Å
196C51.1Low50.6Low28 Ų2876 Ų7619%0.18940%0.396CS..  trans-65.5126.6173.259.70000110.3A140 C198 G201A140-C196 HydrophobicContact CB-CB 3.89Å; C196-C198 HydrophobicContact CB-CB 4.36Å; C196-C198 PolarHBondContact O-N 2.82Å; C196-C198 VanDerWaalsContact O-N 3.07Å; C196-G201 PolarHBondContact SG-O 3.24Å
197H51.5Low49.6Very low144 Ų14477.8 Ų77.867%0.66741%0.414SS*.  trans-76.311.2176.4-104.6-47.2000114.6S166 P195S166-H197 PolarHBondContact O-NE2 3.33Å; P195-H197 PolarHBondContact O-N 2.62Å
198C51Low48.4Very low30 Ų3084.3 Ų84.320%0.20344%0.438CS..SBendtrans-71.8138.1175.7157.70000111C196 H200 G201 C204 C206C196-C198 HydrophobicContact CB-CB 4.36Å; C196-C198 PolarHBondContact O-N 2.82Å; C196-C198 VanDerWaalsContact O-N 3.07Å; C198-H200 PolarHBondContact O-N 2.63Å; C198-H200 VanDerWaalsContact SG-CB 3.55Å; C198-H200 PolarHBondContact SG-N 2.83Å; C198-H200 PolarHBondContact SG-ND1 3.14Å; C198-G201 PolarHBondContact O-N 3.38Å; C198-C204 HydrophobicContact CB-CB 3.66Å; C198-C204 WeakPolarHBondContact CB-SG 3.03Å; C198-C204 WeakPolarHBondContact SG-CB 3.27Å; C198-C204 CovalentContact SG-SG 1.99Å; C198-C204 PolarHBondContact SG-SG 3.47Å; C198-C206 HydrophobicContact CB-CB 4.09Å
199R53.5Low47.1Very low254 Ų25486.3 Ų86.396%0.95846%0.459SS*.THydrogen-bonded Turntrans-59.9-7.9178.6-160.6176.5-176.1-176.21.8114.3
200H49.2Very low46.1Very low147 Ų14796.4 Ų96.468%0.68150%0.497SS*.THydrogen-bonded Turntrans-94.27.5-178.1-53.1111.5000114.8C198 C204C198-H200 PolarHBondContact O-N 2.63Å; C198-H200 VanDerWaalsContact SG-CB 3.55Å; C198-H200 PolarHBondContact SG-N 2.83Å; C198-H200 PolarHBondContact SG-ND1 3.14Å; H200-C204 HydrophobicContact CB-CB 3.92Å
201G45.4Very low45.3Very low37 Ų3794.2 Ų94.238%0.38149%0.489SS..G310 helixtrans61.7-157.9176.100000113.8C196 C198 Y203 C204C196-G201 PolarHBondContact SG-O 3.24Å; C198-G201 PolarHBondContact O-N 3.38Å; G201-Y203 PolarHBondContact O-N 3.44Å; G201-C204 WeakPolarHBondContact O-CB 3.24Å; G201-C204 PolarHBondContact O-N 2.92Å
202Y43.1Very low44.5Very low204 Ų20498 Ų9880%0.850%0.499SS*.G310 helixtrans-55.5-13.3-176-71.1-83.9000115.7
203Y46.4Very low43.9Very low216 Ų21697.4 Ų97.485%0.84750%0.499SS*.G310 helixtrans-989.8178.8-66.7-77.3000113.4G201 G205G201-Y203 PolarHBondContact O-N 3.44Å; Y203-G205 PolarHBondContact O-N 2.93Å; Y203-G205 VanDerWaalsContact O-N 3.16Å
204C45.4Very low43.2Very low16 Ų1697.3 Ų97.311%0.10850%0.502CS..  trans-75.2112.3-178-162.10000110.7C198 H200 G201 C206 G207C198-C204 HydrophobicContact CB-CB 3.66Å; C198-C204 WeakPolarHBondContact CB-SG 3.03Å; C198-C204 WeakPolarHBondContact SG-CB 3.27Å; C198-C204 CovalentContact SG-SG 1.99Å; C198-C204 PolarHBondContact SG-SG 3.47Å; H200-C204 HydrophobicContact CB-CB 3.92Å; G201-C204 WeakPolarHBondContact O-CB 3.24Å; G201-C204 PolarHBondContact O-N 2.92Å; C204-C206 HydrophobicContact CB-CB 3.85Å; C204-C206 PolarHBondContact O-N 2.73Å; C204-C206 WeakPolarHBondContact SG-CB 3.37Å; C204-G207 PolarHBondContact O-N 2.73Å; C204-G207 VanDerWaalsContact O-N 3.1Å
205G46.6Very low42.4Very low48 Ų48101.5 Ų101.550%0.49554%0.538SS..THydrogen-bonded Turntrans-54.5-4172.300000115.4Y203 G207 Y208Y203-G205 PolarHBondContact O-N 2.93Å; Y203-G205 VanDerWaalsContact O-N 3.16Å; G205-G207 PolarHBondContact O-N 3Å; G205-Y208 CarbonylContact O-C 3.55Å; G205-Y208 WeakPolarHBondContact O-CA 3.41Å; G205-Y208 PolarHBondContact O-N 3.44Å
206C46Very low41.9Very low66 Ų6699.7 Ų99.745%0.44653%0.529SS..THydrogen-bonded Turntrans-52.9-18.2162.4164.50000115.4C198 C204C198-C206 HydrophobicContact CB-CB 4.09Å; C204-C206 HydrophobicContact CB-CB 3.85Å; C204-C206 PolarHBondContact O-N 2.73Å; C204-C206 WeakPolarHBondContact SG-CB 3.37Å
207G39.6Very low41.3Very low37 Ų37102.6 Ų102.638%0.38154%0.542SS..SBendtrans-113.4-5.3165.900000114C204 G205 G209C204-G207 PolarHBondContact O-N 2.73Å; C204-G207 VanDerWaalsContact O-N 3.1Å; G205-G207 PolarHBondContact O-N 3Å; G207-G209 PolarHBondContact O-N 3.44Å
208Y32.7Very low40.9Very low167 Ų167102.4 Ų102.466%0.65555%0.545SS*.  trans-81.170.5163.3-79.8-93.9000107.8G205 Y210G205-Y208 CarbonylContact O-C 3.55Å; G205-Y208 WeakPolarHBondContact O-CA 3.41Å; G205-Y208 PolarHBondContact O-N 3.44Å; Y208-Y210 PolarHBondContact O-N 3.41Å
209G33.7Very low40.1Very low43 Ų43102.9 Ų102.944%0.44356%0.555SS.*  trans-58.3104.4149.300000105.8G207 S211G207-G209 PolarHBondContact O-N 3.44Å; G209-S211 PolarHBondContact O-N 3.2Å
210Y31.8Very low39.4Very low216 Ų21694.5 Ų94.585%0.84753%0.529SS*.  trans-61.263.7153.8-67.9-93.8000107.8Y208Y208-Y210 PolarHBondContact O-N 3.41Å
211S31.8Very low38.9Very low54 Ų5490.1 Ų90.138%0.37852%0.518SS..  trans-86.9121.1145.287.20000102.9G209 G213 D214G209-S211 PolarHBondContact O-N 3.2Å; S211-G213 PolarHBondContact O-N 3.49Å; S211-G213 VanDerWaalsContact OG-CA 3.31Å; S211-G213 WeakPolarHBondContact OG-CA 3.45Å; S211-G213 PolarHBondContact OG-N 3.23Å; S211-D214 PolarHBondContact OG-N 3.42Å; S211-D214 VanDerWaalsContact OG-N 3.13Å; S211-D214 PolarHBondContact OG-OD2 2.94Å
212V33.8Very low38.5Very low149 Ų14991 Ų9190%0.90352%0.521SS*.THydrogen-bonded Turntrans-6942.9163.4-170.80000107.7A216V212-A216 WeakPolarHBondContact O-CB 3.13Å
213G36.4Very low38Very low18 Ų1882.7 Ų82.719%0.18649%0.493CS..THydrogen-bonded Turntrans-145.4-28.9-141.200000112.9S211 A216 L217S211-G213 PolarHBondContact O-N 3.49Å; S211-G213 VanDerWaalsContact OG-CA 3.31Å; S211-G213 WeakPolarHBondContact OG-CA 3.45Å; S211-G213 PolarHBondContact OG-N 3.23Å; G213-A216 CarbonylContact O-C 3.56Å; G213-L217 WeakPolarHBondContact O-CA 3.47Å; G213-L217 VanDerWaalsContact O-CB 3.32Å; G213-L217 WeakPolarHBondContact O-CB 3.4Å; G213-L217 WeakPolarHBondContact O-CD1 3.44Å; G213-L217 WeakPolarHBondContact O-CG 3.25Å; G213-L217 PolarHBondContact O-N 3.02Å
214D37.6Very low37.8Very low97 Ų9777.2 Ų77.252%0.51948%0.483SS..Hα-helixtrans-97.8-34.1179.7-69.8-48.7000114S211 A216 L217 L218S211-D214 PolarHBondContact OG-N 3.42Å; S211-D214 VanDerWaalsContact OG-N 3.13Å; S211-D214 PolarHBondContact OG-OD2 2.94Å; D214-A216 PolarHBondContact O-N 2.75Å; D214-L217 PolarHBondContact O-N 3.42Å; D214-L217 WeakPolarHBondContact OD1-CD1 3.24Å; D214-L218 PolarHBondContact O-N 3.34Å
215A35Very low37.6Very low97 Ų9783.4 Ų83.480%0.80251%0.514SS*.Hα-helixtrans-67-25.4156.700000110.7
216A37.4Very low37.3Very low26 Ų2688.2 Ų88.222%0.21553%0.525CS..Hα-helixtrans-76.9-34.717000000110.8V212 G213 D214 L218 G219 L220V212-A216 WeakPolarHBondContact O-CB 3.13Å; G213-A216 CarbonylContact O-C 3.56Å; D214-A216 PolarHBondContact O-N 2.75Å; A216-L218 VanDerWaalsContact C-N 3.34Å; A216-L218 PolarHBondContact O-N 2.79Å; A216-G219 CarbonylContact O-C 3.47Å; A216-G219 VanDerWaalsContact O-CA 3.22Å; A216-G219 WeakPolarHBondContact O-CA 3.11Å; A216-G219 PolarHBondContact O-N 2.88Å; A216-L220 HydrophobicContact CB-CD1 3.44Å; A216-L220 VanDerWaalsContact CB-CD1 3.44Å; A216-L220 HydrophobicContact CB-CG 3.76Å; A216-L220 VanDerWaalsContact O-CA 3.25Å; A216-L220 WeakPolarHBondContact O-CA 3.1Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.49Å; A216-L220 PolarHBondContact O-N 2.67Å
217L40.4Very low36.9Very low89 Ų8995.4 Ų95.447%0.46654%0.543SS..Hα-helixtrans-70-26.1-178.3-90.2156.8000113.9G213 D214 G219 L220 A221G213-L217 WeakPolarHBondContact O-CA 3.47Å; G213-L217 VanDerWaalsContact O-CB 3.32Å; G213-L217 WeakPolarHBondContact O-CB 3.4Å; G213-L217 WeakPolarHBondContact O-CD1 3.44Å; G213-L217 WeakPolarHBondContact O-CG 3.25Å; G213-L217 PolarHBondContact O-N 3.02Å; D214-L217 PolarHBondContact O-N 3.42Å; D214-L217 WeakPolarHBondContact OD1-CD1 3.24Å; L217-G219 VanDerWaalsContact C-N 3.27Å; L217-L220 PolarHBondContact O-N 2.88Å; L217-A221 WeakPolarHBondContact O-CB 2.91Å; L217-A221 PolarHBondContact O-N 3Å
218L41.8Very low36.8Very low140 Ų14096.5 Ų96.573%0.73355%0.545SS*.Hα-helixtrans-72.2-21.5166-69.2171000112.7D214 A216D214-L218 PolarHBondContact O-N 3.34Å; A216-L218 VanDerWaalsContact C-N 3.34Å; A216-L218 PolarHBondContact O-N 2.79Å
219G34.1Very low37.1Very low40 Ų4094.6 Ų94.641%0.41255%0.553SS.*Hα-helixtrans-98.3-16169.600000115.1A216 L217 S223A216-G219 CarbonylContact O-C 3.47Å; A216-G219 VanDerWaalsContact O-CA 3.22Å; A216-G219 WeakPolarHBondContact O-CA 3.11Å; A216-G219 PolarHBondContact O-N 2.88Å; L217-G219 VanDerWaalsContact C-N 3.27Å; G219-S223 VanDerWaalsContact O-CB 3.31Å; G219-S223 WeakPolarHBondContact O-CB 3.47Å; G219-S223 PolarHBondContact O-N 2.98Å
220L38.5Very low37.9Very low77 Ų77101.7 Ų101.740%0.40357%0.572SS.*Hα-helixtrans-109.7-28.4-168-70.3177.8000109.6A216 L217 A222 S223 T224A216-L220 HydrophobicContact CB-CD1 3.44Å; A216-L220 VanDerWaalsContact CB-CD1 3.44Å; A216-L220 HydrophobicContact CB-CG 3.76Å; A216-L220 VanDerWaalsContact O-CA 3.25Å; A216-L220 WeakPolarHBondContact O-CA 3.1Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.49Å; A216-L220 PolarHBondContact O-N 2.67Å; L217-L220 PolarHBondContact O-N 2.88Å; L220-A222 PolarHBondContact O-N 2.74Å; L220-S223 VanDerWaalsContact CA-OG 3.28Å; L220-S223 WeakPolarHBondContact CA-OG 3.42Å; L220-S223 WeakPolarHBondContact CD2-OG 3.33Å; L220-S223 CarbonylContact O-C 3.37Å; L220-S223 PolarHBondContact O-N 2.73Å; L220-S223 VanDerWaalsContact O-N 3.16Å; L220-S223 PolarHBondContact O-OG 2.82Å; L220-T224 WeakPolarHBondContact O-CA 3.37Å; L220-T224 VanDerWaalsContact O-CB 3.26Å; L220-T224 WeakPolarHBondContact O-CB 3.19Å; L220-T224 WeakPolarHBondContact O-CG2 3.05Å; L220-T224 PolarHBondContact O-N 2.89Å; L220-T224 PolarHBondContact O-OG1 3.47Å
221A40Very low38.5Very low55 Ų5598 Ų9846%0.45557%0.566SS.*THydrogen-bonded Turntrans-66.6-26.4160.700000110.8L217 L225L217-A221 WeakPolarHBondContact O-CB 2.91Å; L217-A221 PolarHBondContact O-N 3Å; A221-L225 WeakPolarHBondContact O-CG 3.35Å
222A36.9Very low38.9Very low55 Ų55107 Ų10746%0.45559%0.592SS.*THydrogen-bonded Turntrans-79.5-29.4167.900000112.9L220L220-A222 PolarHBondContact O-N 2.74Å
223S31.6Very low39.4Very low30 Ų30104.9 Ų104.921%0.2158%0.584CS.*THydrogen-bonded Turntrans-88.8-22.4177.185.90000114.4G219 L220 L225 M226G219-S223 VanDerWaalsContact O-CB 3.31Å; G219-S223 WeakPolarHBondContact O-CB 3.47Å; G219-S223 PolarHBondContact O-N 2.98Å; L220-S223 VanDerWaalsContact CA-OG 3.28Å; L220-S223 WeakPolarHBondContact CA-OG 3.42Å; L220-S223 WeakPolarHBondContact CD2-OG 3.33Å; L220-S223 CarbonylContact O-C 3.37Å; L220-S223 PolarHBondContact O-N 2.73Å; L220-S223 VanDerWaalsContact O-N 3.16Å; L220-S223 PolarHBondContact O-OG 2.82Å; S223-L225 PolarHBondContact O-N 3.04Å; S223-M226 PolarHBondContact O-N 3.08Å
224T41.8Very low40.1Very low102 Ų102109.7 Ų109.763%0.62661%0.612SS**THydrogen-bonded Turntrans-77.2-10174.555.50000111.7L220 M226L220-T224 WeakPolarHBondContact O-CA 3.37Å; L220-T224 VanDerWaalsContact O-CB 3.26Å; L220-T224 WeakPolarHBondContact O-CB 3.19Å; L220-T224 WeakPolarHBondContact O-CG2 3.05Å; L220-T224 PolarHBondContact O-N 2.89Å; L220-T224 PolarHBondContact O-OG1 3.47Å; T224-M226 VanDerWaalsContact C-N 3.25Å
225L42.8Very low40.6Very low146 Ų146113.1 Ų113.176%0.76462%0.622SS**THydrogen-bonded Turntrans-79.4-5164.5-68.7171.1000113A221 S223A221-L225 WeakPolarHBondContact O-CG 3.35Å; S223-L225 PolarHBondContact O-N 3.04Å
226M39.2Very low41Very low149 Ų149117.6 Ų117.673%0.73462%0.624SS**SBendtrans-112.35-179.9-78.7-166.6-77.800115S223 T224S223-M226 PolarHBondContact O-N 3.08Å; T224-M226 VanDerWaalsContact C-N 3.25Å
227W38.9Very low41.4Very low217 Ų217128.5 Ų128.582%0.82266%0.66SS**  trans-123.372.4178.8-72.273.1000110.7
228S35.7Very low41.8Very low60 Ų60133.4 Ų133.442%0.4270%0.699SS.*  trans-69.3131157.481.40000107.9F230 L231S228-F230 PolarHBondContact O-N 2.86Å; S228-L231 WeakPolarHBondContact OG-CD1 3.23Å; S228-L231 WeakPolarHBondContact OG-CG 3.27Å
229P40.1Very low41.8Very low127 Ų127133.1 Ų133.183%0.82570%0.698SS**THydrogen-bonded Turntrans-70.413.6175.2-1529.3000113.8
230F50.7Low42.2Very low191 Ų191138 Ų13884%0.83871%0.713SS**THydrogen-bonded Turntrans-120.98.5-171.2-85.8-80.8000114.5S228S228-F230 PolarHBondContact O-N 2.86Å
231L43.7Very low42.4Very low138 Ų138141.4 Ų141.472%0.72373%0.73SS**SBendtrans-118.26.4-176.6-75.2173.4000116.4S228S228-L231 WeakPolarHBondContact OG-CD1 3.23Å; S228-L231 WeakPolarHBondContact OG-CG 3.27Å
232W41Very low42.5Very low245 Ų245146.5 Ų146.593%0.92875%0.746SS**  trans-128.385.2167.5-74.469000109.8P234W232-P234 WeakPolarHBondContact O-CD 3.14Å
233S43.8Very low42.9Very low104 Ų104152.2 Ų152.273%0.72776%0.764SS**  trans-65.6120.8151.8-81.40000107.8F235S233-F235 PolarHBondContact O-N 2.98Å
234P50.7Low43.6Very low119 Ų119160.3 Ų160.377%0.77380%0.801SS**  trans-76.9106.3153.230.3-22.9000106.2W232W232-P234 WeakPolarHBondContact O-CD 3.14Å
235F49.4Very low43.8Very low169 Ų169164.5 Ų164.574%0.74181%0.814SS**  trans-49.3148.1148.8-91.2-99.6000108.7S233S233-F235 PolarHBondContact O-N 2.98Å
236F42.4Very low43.8Very low191 Ų191165.9 Ų165.984%0.83882%0.818SS**  trans93.378.3170.6-51.1-71.4000116.6
237W46.5Very low44.2Very low255 Ų255167.3 Ų167.397%0.96683%0.825SS**  trans-82.7120.9141.4-124.3-15.8000108
238C47.5Very low44.7Very low192 Ų192162.8 Ų162.8100%1.29783%0.825SS**  trans-103.40138.1-77.80000106.7

Retrieved 238 of 238 residues in 92.7 ms (Link to these results)

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