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Acyl-coenzyme A thioesterase MBLAC2

AlphaFold DB (A0A2K6L6K4), UniProt , Accession A0A096N277, Species PAPAN (Papio anubis, Olive baboon), Gene MBLAC2, Length 279 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
1M87.3Confident96.1Very high66 Ų6653 Ų5333%0.32528%0.282SS..  0126.80-175.7-173.5-41.900107.4E5 W6 F23 R51 R127 A128M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 3.96Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-W6 HydrophobicContact CE-CE3 4.37Å; M1-W6 HydrophobicContact CE-CZ3 4.26Å; M1-W6 HydrophobicContact SD-CD2 4.48Å; M1-W6 HydrophobicContact SD-CE3 3.36Å; M1-W6 HydrophobicContact SD-CZ3 3.83Å; M1-F23 HydrophobicContact SD-CD2 3.68Å; M1-F23 HydrophobicContact SD-CE2 3.77Å; M1-R51 PolarHBondContact O-NE 3.34Å; M1-R51 PolarHBondContact O-NH2 3Å; M1-R127 HydrophobicContact CE-CB 3.86Å; M1-R127 HydrophobicContact CE-CG 3.46Å; M1-R127 VanDerWaalsContact CE-CG 3.46Å; M1-R127 PolarHBondContact SD-NE 3.25Å; M1-R127 VanDerWaalsContact SD-NE 3.41Å; M1-R127 PolarHBondContact SD-NH2 2.91Å; M1-A128 VanDerWaalsContact CE-O 3.29Å; M1-A128 WeakPolarHBondContact CE-O 3.31Å
2S93.8Very high96.2Very high48 Ų4852.9 Ų52.934%0.33628%0.281SS..  trans-81.1166.5-177.4680000112.2L4 E5 W6S2-L4 VanDerWaalsContact C-N 3.32Å; S2-E5 PolarHBondContact N-OE2 3.03Å; S2-E5 PolarHBondContact O-N 2.81Å; S2-E5 WeakPolarHBondContact OG-CG 3.39Å; S2-E5 PolarHBondContact OG-N 2.87Å; S2-W6 PolarHBondContact O-N 3.5Å
3A95.2Very high96.1Very high2 Ų251.4 Ų51.42%0.01729%0.286CS..Hα-helixtrans-61.5-40.517000000111.9E5 W6 Y7 S52 E55 Y56A3-E5 PolarHBondContact O-N 2.91Å; A3-W6 PolarHBondContact O-N 3.42Å; A3-Y7 WeakPolarHBondContact O-CD2 3.44Å; A3-Y7 PolarHBondContact O-N 3Å; A3-Y7 VanDerWaalsContact O-N 3.17Å; A3-S52 VanDerWaalsContact CB-O 3.31Å; A3-S52 WeakPolarHBondContact CB-O 3.48Å; A3-E55 HydrophobicContact CB-CB 4.15Å; A3-E55 HydrophobicContact CB-CG 4.17Å; A3-Y56 WeakPolarHBondContact O-CD2 3.44Å
4L96.6Very high95.9Very high88 Ų8856.4 Ų56.446%0.46131%0.312SS..Hα-helixtrans-59-32.8175.8-75175.8000113.5S2 Y56 S59S2-L4 VanDerWaalsContact C-N 3.32Å; L4-Y56 HydrophobicContact CD2-CD2 4.17Å; L4-Y56 HydrophobicContact CD2-CE2 4.32Å; L4-S59 WeakPolarHBondContact CD2-OG 3.5Å; L4-S59 WeakPolarHBondContact CG-OG 3.4Å
5E96.3Very high95.9Very high73 Ų7354.4 Ų54.434%0.34131%0.31SS..Hα-helixtrans-77.1-36174.1-69.2178.687.500112.5M1 S2 A3 R22 F23 R127M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CG-CB 3.96Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; S2-E5 PolarHBondContact N-OE2 3.03Å; S2-E5 PolarHBondContact O-N 2.81Å; S2-E5 WeakPolarHBondContact OG-CG 3.39Å; S2-E5 PolarHBondContact OG-N 2.87Å; A3-E5 PolarHBondContact O-N 2.91Å; E5-R22 VanDerWaalsContact O-CD 3.31Å; E5-R22 WeakPolarHBondContact O-CD 3.3Å; E5-R22 PolarHBondContact O-NH1 3.38Å; E5-F23 WeakPolarHBondContact O-CE2 3.31Å; E5-R127 IonicContact OE1-CZ 2.8Å; E5-R127 IonicContact OE1-NH1 2.76Å; E5-R127 PolarHBondContact OE1-NH1 3.19Å; E5-R127 IonicContact OE1-NH2 3.99Å; E5-R127 PolarHBondContact OE1-NH2 2.86Å
6W97.7Very high96Very high0 Ų051.4 Ų51.40%029%0.292CS..Hα-helixtrans-71.6-41.1-171.6-172.2-91.2000113.3M1 S2 A3 E21 R22 F23 L50 R51 V125 R127 P129M1-W6 HydrophobicContact CE-CE3 4.37Å; M1-W6 HydrophobicContact CE-CZ3 4.26Å; M1-W6 HydrophobicContact SD-CD2 4.48Å; M1-W6 HydrophobicContact SD-CE3 3.36Å; M1-W6 HydrophobicContact SD-CZ3 3.83Å; S2-W6 PolarHBondContact O-N 3.5Å; A3-W6 PolarHBondContact O-N 3.42Å; W6-E21 PolarHBondContact NE1-OE1 3.17Å; W6-R22 WeakPolarHBondContact O-CB 3.45Å; W6-R22 WeakPolarHBondContact O-CG 3.33Å; W6-R22 PolarHBondContact O-N 3.3Å; W6-F23 HydrophobicContact CD2-CD2 4.29Å; W6-F23 HydrophobicContact CE3-CB 4.48Å; W6-F23 AromaticContact CE3-CD2 3.83Å; W6-F23 HydrophobicContact CE3-CD2 3.83Å; W6-F23 HydrophobicContact CH2-CB 4.15Å; W6-F23 HydrophobicContact CZ3-CB 4.05Å; W6-F23 HydrophobicContact CZ3-CD2 4.15Å; W6-L50 HydrophobicContact CH2-CB 3.98Å; W6-L50 HydrophobicContact CH2-CD1 3.76Å; W6-L50 HydrophobicContact CZ2-CB 3.6Å; W6-L50 HydrophobicContact CZ2-CD1 3.67Å; W6-L50 HydrophobicContact CZ2-CG 4.17Å; W6-R51 HydrophobicContact CB-CB 3.82Å; W6-R51 HydrophobicContact CB-CG 3.67Å; W6-R51 HydrophobicContact CD2-CB 4.07Å; W6-R51 HydrophobicContact CD2-CG 3.51Å; W6-R51 HydrophobicContact CE3-CG 3.64Å; W6-R51 HydrophobicContact CG-CB 3.63Å; W6-R51 HydrophobicContact CG-CG 3.5Å; W6-R51 VanDerWaalsContact CG-CG 3.5Å; W6-V125 HydrophobicContact CH2-CG1 3.93Å; W6-R127 WeakPolarHBondContact CZ3-O 3.5Å; W6-P129 HydrophobicContact CH2-CB 4.23Å; W6-P129 HydrophobicContact CZ3-CB 3.95Å
7Y98.4Very high96.2Very high4 Ų450.4 Ų50.42%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-103.7151.1-176.6-60.1-83.2000111.6A3 I19 Q20 E21 I32 R51 L53 Y56A3-Y7 WeakPolarHBondContact O-CD2 3.44Å; A3-Y7 PolarHBondContact O-N 3Å; A3-Y7 VanDerWaalsContact O-N 3.17Å; Y7-I19 HydrophobicContact CD1-CG2 4.06Å; Y7-I19 HydrophobicContact CG-CG2 4.48Å; Y7-Q20 VanDerWaalsContact CA-O 3.31Å; Y7-Q20 WeakPolarHBondContact CA-O 3.28Å; Y7-E21 HydrophobicContact CD1-CG 3.94Å; Y7-E21 HydrophobicContact CE1-CG 3.57Å; Y7-I32 HydrophobicContact CD1-CD1 4.49Å; Y7-I32 HydrophobicContact CE1-CD1 4.12Å; Y7-R51 HydrophobicContact CE2-CB 3.9Å; Y7-R51 PolarHBondContact OH-O 3.42Å; Y7-L53 HydrophobicContact CD1-CD1 4.12Å; Y7-L53 HydrophobicContact CE1-CB 4.49Å; Y7-L53 HydrophobicContact CE1-CD1 4Å; Y7-L53 HydrophobicContact CE2-CB 4.31Å; Y7-L53 HydrophobicContact CE2-CD1 4.45Å; Y7-L53 HydrophobicContact CG-CD1 4.4Å; Y7-Y56 HydrophobicContact CD2-CD1 4.3Å; Y7-Y56 HydrophobicContact CD2-CD2 4.19Å; Y7-Y56 AromaticContact CD2-CG 3.8Å; Y7-Y56 HydrophobicContact CD2-CG 3.8Å; Y7-Y56 HydrophobicContact CG-CD1 4.07Å; Y7-Y56 HydrophobicContact CG-CD2 4.34Å; Y7-Y56 HydrophobicContact CG-CE1 4.49Å; Y7-Y56 AromaticContact CG-CG 3.97Å; Y7-Y56 HydrophobicContact CG-CG 3.97Å; Y7-Y56 WeakPolarHBondContact O-CE2 3.22Å; Y7-Y56 PolarHBondContact O-OH 3.26Å
8A98.1Very high96.3Very high27 Ų2750.7 Ų50.722%0.22328%0.28CS..EExtended strand (participates in β ladder)trans-128.9153.1166.200000109.1I19 Q20 R22 Y56A8-I19 CarbonylContact O-C 3.32Å; A8-I19 WeakPolarHBondContact O-CA 3.35Å; A8-Q20 HydrophobicContact CB-CG 4.22Å; A8-Q20 PolarHBondContact N-O 2.96Å; A8-Q20 PolarHBondContact O-N 2.96Å; A8-R22 HydrophobicContact CB-CG 3.76Å; A8-Y56 VanDerWaalsContact C-OH 3.22Å; A8-Y56 VanDerWaalsContact CA-OH 3.31Å; A8-Y56 WeakPolarHBondContact CA-OH 3.43Å
9H98.4Very high96.5Very high78 Ų7848 Ų4836%0.36127%0.265SS..EExtended strand (participates in β ladder)trans-135.4160.317772.9-101.3000113W18 I19 Y56 L62H9-W18 CarbonylContact C-O 3.53Å; H9-W18 WeakPolarHBondContact CA-O 3.31Å; H9-W18 WeakPolarHBondContact CB-O 3.29Å; H9-I19 HydrophobicContact CB-CG1 3.85Å; H9-Y56 HydrophobicContact CB-CE1 4.41Å; H9-Y56 PolarHBondContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.68Å; H9-Y56 PolarHBondContact ND1-OH 3.33Å; H9-L62 HydrophobicContact CB-CD1 4.12Å
10K98.1Very high96.5Very high133 Ų13347.7 Ų47.758%0.57826%0.262SS*.EExtended strand (participates in β ladder)trans-135.4134.1169.8-178.9-179.5176.6-177.80109L12 F17 W18K10-L12 WeakPolarHBondContact O-CD1 3.33Å; K10-F17 WeakPolarHBondContact O-CA 3.47Å; K10-W18 HydrophobicContact CB-CE3 4.15Å; K10-W18 HydrophobicContact CD-CE3 4.48Å; K10-W18 PolarHBondContact N-O 2.93Å; K10-W18 PolarHBondContact O-N 2.86Å
11S97.6Very high96.6Very high64 Ų6445.4 Ų45.445%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-76.2136.5170-171.60000110.8G13S11-G13 PolarHBondContact OG-N 3.36Å
12L97.1Very high97Very high52 Ų5248.3 Ų48.327%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-102.63.6173.5-8274.4000112.4K10 I16 W18 W33 L228 T234K10-L12 WeakPolarHBondContact O-CD1 3.33Å; L12-I16 HydrophobicContact CB-CB 4.32Å; L12-I16 HydrophobicContact CB-CG2 4.26Å; L12-I16 PolarHBondContact N-O 2.83Å; L12-W18 HydrophobicContact CD1-CB 3.57Å; L12-W33 HydrophobicContact CD1-CZ3 4.38Å; L12-W33 HydrophobicContact CD2-CZ3 3.93Å; L12-L228 HydrophobicContact CD2-CD2 4.17Å; L12-L228 HydrophobicContact CD2-CG 4.41Å; L12-T234 HydrophobicContact CD2-CG2 4.14Å
13G95.4Very high97.2Very high33 Ų3347.3 Ų47.334%0.3425%0.246SC..EExtended strand (participates in β ladder)trans86.7170.3-169.300000112.5S11 G15 I16S11-G13 PolarHBondContact OG-N 3.36Å; G13-G15 PolarHBondContact O-N 3.48Å; G13-G15 VanDerWaalsContact O-N 3.08Å; G13-I16 WeakPolarHBondContact O-CB 3.49Å; G13-I16 PolarHBondContact O-N 2.99Å
14D92.9Very high97.2Very high121 Ų12147.2 Ų47.265%0.64725%0.245SC*.THydrogen-bonded Turntrans49.838.3173.7-55.4-23.5000115.2I16 R160D14-I16 PolarHBondContact O-N 3Å; D14-R160 VanDerWaalsContact O-CZ 3.32Å; D14-R160 PolarHBondContact O-NH1 3.22Å; D14-R160 PolarHBondContact O-NH2 2.96Å
15G95.4Very high97.1Very high27 Ų2748.7 Ų48.728%0.27825%0.25SC..THydrogen-bonded Turntrans69.215.3-179.500000114.5G13 R36G13-G15 PolarHBondContact O-N 3.48Å; G13-G15 VanDerWaalsContact O-N 3.08Å; G15-R36 WeakPolarHBondContact O-CG 3.47Å; G15-R36 PolarHBondContact O-N 2.78Å
16I98.6Very high97Very high6 Ų646.5 Ų46.53%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-101.8132.2177.7-57.6172.4000109.7L12 G13 D14 L34 I184 F186 L228L12-I16 HydrophobicContact CB-CB 4.32Å; L12-I16 HydrophobicContact CB-CG2 4.26Å; L12-I16 PolarHBondContact N-O 2.83Å; G13-I16 WeakPolarHBondContact O-CB 3.49Å; G13-I16 PolarHBondContact O-N 2.99Å; D14-I16 PolarHBondContact O-N 3Å; I16-L34 CarbonylContact C-O 3.55Å; I16-L34 WeakPolarHBondContact CA-O 3.39Å; I16-I184 HydrophobicContact CD1-CD1 3.7Å; I16-F186 HydrophobicContact CD1-CZ 4.2Å; I16-F186 HydrophobicContact CG2-CE1 4.36Å; I16-F186 HydrophobicContact CG2-CZ 4.43Å; I16-L228 HydrophobicContact CG2-CD2 3.74Å
17F98.8Very high96.4Very high34 Ų3449.5 Ų49.515%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-129.6135176.6-55.2-99.3000110.4K10 W33 L34 R36 L62K10-F17 WeakPolarHBondContact O-CA 3.47Å; F17-W33 WeakPolarHBondContact O-CA 3.48Å; F17-L34 HydrophobicContact CB-CB 4.21Å; F17-L34 HydrophobicContact CD2-CB 4.46Å; F17-L34 HydrophobicContact CD2-CD2 3.89Å; F17-L34 HydrophobicContact CD2-CG 4.32Å; F17-L34 HydrophobicContact CE2-CD2 4.47Å; F17-L34 HydrophobicContact CG-CD2 4.46Å; F17-L34 PolarHBondContact N-O 3.45Å; F17-L34 PolarHBondContact O-N 2.82Å; F17-R36 HydrophobicContact CD2-CG 4.4Å; F17-R36 HydrophobicContact CE2-CG 3.82Å; F17-L62 HydrophobicContact CB-CD2 4.49Å; F17-L62 HydrophobicContact CD1-CD2 3.31Å; F17-L62 HydrophobicContact CD2-CD2 4.25Å; F17-L62 HydrophobicContact CE1-CD2 3.38Å; F17-L62 HydrophobicContact CE2-CD2 4.31Å; F17-L62 HydrophobicContact CG-CD2 3.77Å; F17-L62 HydrophobicContact CZ-CD2 3.9Å
18W98.8Very high95.8Very high56 Ų5652.6 Ų52.621%0.21229%0.291CS..EExtended strand (participates in β ladder)trans-90.7128167.6176.242.7000108.8H9 K10 L12 N31 W33H9-W18 CarbonylContact C-O 3.53Å; H9-W18 WeakPolarHBondContact CA-O 3.31Å; H9-W18 WeakPolarHBondContact CB-O 3.29Å; K10-W18 HydrophobicContact CB-CE3 4.15Å; K10-W18 HydrophobicContact CD-CE3 4.48Å; K10-W18 PolarHBondContact N-O 2.93Å; K10-W18 PolarHBondContact O-N 2.86Å; L12-W18 HydrophobicContact CD1-CB 3.57Å; W18-N31 PolarHBondContact NE1-OD1 3.22Å; W18-W33 HydrophobicContact CB-CE3 4.01Å; W18-W33 HydrophobicContact CB-CH2 4.18Å; W18-W33 HydrophobicContact CB-CZ3 3.5Å; W18-W33 AromaticContact CD1-CH2 3.71Å; W18-W33 AromaticContact CD1-CZ3 3.77Å; W18-W33 HydrophobicContact CG-CE3 4.47Å; W18-W33 HydrophobicContact CG-CH2 4.03Å; W18-W33 AromaticContact CG-CZ3 3.84Å; W18-W33 HydrophobicContact CG-CZ3 3.84Å
19I98.8Very high95.7Very high0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans-122.9141.2180-56.1168.4000108.2Y7 A8 H9 I32 L34 L53 Y56 L57 L62Y7-I19 HydrophobicContact CD1-CG2 4.06Å; Y7-I19 HydrophobicContact CG-CG2 4.48Å; A8-I19 CarbonylContact O-C 3.32Å; A8-I19 WeakPolarHBondContact O-CA 3.35Å; H9-I19 HydrophobicContact CB-CG1 3.85Å; I19-I32 HydrophobicContact CB-CB 3.99Å; I19-I32 HydrophobicContact CB-CG2 4.2Å; I19-I32 HydrophobicContact CD1-CG2 4.49Å; I19-I32 HydrophobicContact CG2-CB 4.47Å; I19-I32 PolarHBondContact N-O 3.24Å; I19-I32 PolarHBondContact O-N 3.37Å; I19-L34 HydrophobicContact CD1-CB 3.99Å; I19-L53 HydrophobicContact CG2-CD1 4.21Å; I19-Y56 HydrophobicContact CG2-CD1 4.3Å; I19-Y56 HydrophobicContact CG2-CE1 3.9Å; I19-L57 HydrophobicContact CD1-CD2 3.39Å; I19-L62 HydrophobicContact CD1-CD1 4.06Å; I19-L62 HydrophobicContact CG1-CD1 4.41Å
20Q97Very high95.7Very high42 Ų4251.2 Ų51.220%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-139.9152.7179.164.5-179.5-44.100112.1Y7 A8Y7-Q20 VanDerWaalsContact CA-O 3.31Å; Y7-Q20 WeakPolarHBondContact CA-O 3.28Å; A8-Q20 HydrophobicContact CB-CG 4.22Å; A8-Q20 PolarHBondContact N-O 2.96Å; A8-Q20 PolarHBondContact O-N 2.96Å
21E97.9Very high95.7Very high0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-84.2113.1172-64-174.8105.600110.3W6 Y7 F23 R29 G47 L48W6-E21 PolarHBondContact NE1-OE1 3.17Å; Y7-E21 HydrophobicContact CD1-CG 3.94Å; Y7-E21 HydrophobicContact CE1-CG 3.57Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 2.86Å; E21-R29 WeakPolarHBondContact O-CD 3.39Å; E21-G47 WeakPolarHBondContact OE2-CA 3.47Å; E21-L48 PolarHBondContact OE1-N 3.23Å; E21-L48 WeakPolarHBondContact OE2-CG 3.46Å; E21-L48 PolarHBondContact OE2-N 3.39Å
22R96.8Very high95.8Very high126 Ų12642.2 Ų42.248%0.47523%0.23SC..THydrogen-bonded Turntrans-68-29.1-172.5-64.9179.871.7-161.52.9113.8E5 W6 A8E5-R22 VanDerWaalsContact O-CD 3.31Å; E5-R22 WeakPolarHBondContact O-CD 3.3Å; E5-R22 PolarHBondContact O-NH1 3.38Å; W6-R22 WeakPolarHBondContact O-CB 3.45Å; W6-R22 WeakPolarHBondContact O-CG 3.33Å; W6-R22 PolarHBondContact O-N 3.3Å; A8-R22 HydrophobicContact CB-CG 3.76Å
23F96.8Very high95.8Very high27 Ų2740 Ų4012%0.11822%0.217CC..THydrogen-bonded Turntrans-107.47.6-174.6-52.7-67.6000113.5M1 E5 W6 E21 V125 V126 R127M1-F23 HydrophobicContact SD-CD2 3.68Å; M1-F23 HydrophobicContact SD-CE2 3.77Å; E5-F23 WeakPolarHBondContact O-CE2 3.31Å; W6-F23 HydrophobicContact CD2-CD2 4.29Å; W6-F23 HydrophobicContact CE3-CB 4.48Å; W6-F23 AromaticContact CE3-CD2 3.83Å; W6-F23 HydrophobicContact CE3-CD2 3.83Å; W6-F23 HydrophobicContact CH2-CB 4.15Å; W6-F23 HydrophobicContact CZ3-CB 4.05Å; W6-F23 HydrophobicContact CZ3-CD2 4.15Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 2.86Å; F23-V125 CarbonylContact O-C 3.37Å; F23-V125 VanDerWaalsContact O-CA 3.31Å; F23-V125 WeakPolarHBondContact O-CA 3.31Å; F23-V126 HydrophobicContact CB-CG2 4.13Å; F23-V126 HydrophobicContact CD1-CG2 4.19Å; F23-V126 PolarHBondContact O-N 3.26Å; F23-R127 HydrophobicContact CB-CB 3.86Å; F23-R127 HydrophobicContact CD1-CB 3.52Å; F23-R127 HydrophobicContact CD1-CG 4.38Å; F23-R127 HydrophobicContact CD2-CB 4.41Å; F23-R127 HydrophobicContact CE1-CB 4.24Å; F23-R127 VanDerWaalsContact CE2-CZ 3.4Å; F23-R127 HydrophobicContact CG-CB 3.63Å
24Y96.7Very high96Very high0 Ų038.4 Ų38.40%020%0.201CC..BIsolated β-bridgetrans-97.499.8165.4-178.5-149000107.7N28 R29 L48 D87 L120 E124Y24-N28 VanDerWaalsContact CE1-O 3.23Å; Y24-N28 WeakPolarHBondContact CE1-O 3.45Å; Y24-N28 PolarHBondContact OH-O 3.41Å; Y24-R29 HydrophobicContact CD1-CB 3.96Å; Y24-R29 HydrophobicContact CD1-CG 3.98Å; Y24-R29 HydrophobicContact CE1-CB 4.18Å; Y24-R29 VanDerWaalsContact O-CD 3.27Å; Y24-R29 WeakPolarHBondContact O-CD 3.49Å; Y24-R29 PolarHBondContact O-NH1 2.7Å; Y24-L48 HydrophobicContact CD1-CD1 3.64Å; Y24-L48 HydrophobicContact CD1-CD2 4.42Å; Y24-L48 HydrophobicContact CD1-CG 3.85Å; Y24-L48 HydrophobicContact CD2-CD1 3.73Å; Y24-L48 HydrophobicContact CE1-CD1 3.95Å; Y24-L48 HydrophobicContact CE1-CD2 3.98Å; Y24-L48 HydrophobicContact CE1-CG 3.91Å; Y24-L48 HydrophobicContact CE2-CD1 4.02Å; Y24-L48 HydrophobicContact CG-CD1 3.54Å; Y24-L48 HydrophobicContact CG-CG 4.28Å; Y24-D87 HydrophobicContact CE1-CB 4.34Å; Y24-L120 HydrophobicContact CD2-CD1 4.28Å; Y24-L120 HydrophobicContact CE2-CD1 3.67Å; Y24-E124 CarbonylContact C-O 3.51Å; Y24-E124 WeakPolarHBondContact CA-O 3.38Å; Y24-E124 HydrophobicContact CD2-CB 4.13Å; Y24-E124 HydrophobicContact CE2-CB 3.93Å
25E94.1Very high96.3Very high120 Ų12032.6 Ų32.656%0.56117%0.17SC*.  trans-104.780.4179-66.4-172.4-172.400108.7E124 V126E25-E124 PolarHBondContact N-O 3.3Å; E25-V126 HydrophobicContact CB-CG1 4.01Å; E25-V126 HydrophobicContact CG-CG1 4.04Å; E25-V126 HydrophobicContact CG-CG2 4.06Å
26S92.9Very high96.4Very high26 Ų2632.8 Ų32.818%0.18216%0.163CC..SBendtrans-132.6155.8177.3-178.50000111N28 R29 E124S26-N28 PolarHBondContact O-N 3.38Å; S26-N28 PolarHBondContact OG-N 3.38Å; S26-R29 PolarHBondContact O-N 3.16Å; S26-E124 VanDerWaalsContact CB-OE1 3.25Å; S26-E124 WeakPolarHBondContact CB-OE1 3.32Å; S26-E124 PolarHBondContact OG-OE1 2.76Å
27G86.5Confident96.2Very high64 Ų6432.9 Ų32.966%0.6617%0.165SC*.THydrogen-bonded Turntrans-60.9-21.916500000112.7
28N86Confident96Very high69 Ų6934 Ų3437%0.36918%0.177SC..THydrogen-bonded Turntrans-98.425.4176.8-54.1-17.7000111.6Y24 S26 A30 H231Y24-N28 VanDerWaalsContact CE1-O 3.23Å; Y24-N28 WeakPolarHBondContact CE1-O 3.45Å; Y24-N28 PolarHBondContact OH-O 3.41Å; S26-N28 PolarHBondContact O-N 3.38Å; S26-N28 PolarHBondContact OG-N 3.38Å; N28-A30 PolarHBondContact O-N 3.41Å; N28-A30 VanDerWaalsContact O-N 3.13Å; N28-H231 VanDerWaalsContact C-CE1 3.47Å; N28-H231 PolarHBondContact O-CE1 2.61Å
29R95.9Very high95.7Very high76 Ų7637.5 Ų37.529%0.28720%0.196SC..  trans-70.1111.7171.3178.817259.6-145.39108.9E21 Y24 S26 H231E21-R29 WeakPolarHBondContact O-CD 3.39Å; Y24-R29 HydrophobicContact CD1-CB 3.96Å; Y24-R29 HydrophobicContact CD1-CG 3.98Å; Y24-R29 HydrophobicContact CE1-CB 4.18Å; Y24-R29 VanDerWaalsContact O-CD 3.27Å; Y24-R29 WeakPolarHBondContact O-CD 3.49Å; Y24-R29 PolarHBondContact O-NH1 2.7Å; S26-R29 PolarHBondContact O-N 3.16Å; R29-H231 VanDerWaalsContact C-ND1 3.28Å; R29-H231 PolarHBondContact O-ND1 3.29Å
30A97.2Very high95.5Very high0 Ų038.6 Ų38.60%020%0.201CC..  trans-70144.8175.400000111.9N28 D87 G230N28-A30 PolarHBondContact O-N 3.41Å; N28-A30 VanDerWaalsContact O-N 3.13Å; A30-D87 HydrophobicContact CB-CB 4.31Å; A30-D87 WeakPolarHBondContact CB-O 3.28Å; A30-G230 CarbonylContact C-O 3.54Å; A30-G230 VanDerWaalsContact CA-O 3.28Å; A30-G230 WeakPolarHBondContact CA-O 3.44Å
31N98.6Very high95.6Very high8 Ų836.8 Ų36.84%0.04319%0.192CC..  trans-78.7134.8163.2-66.5-34.1000108.4W18 W33 P229 G230 F232W18-N31 PolarHBondContact NE1-OD1 3.22Å; N31-W33 HydrophobicContact CB-CZ2 3.68Å; N31-P229 WeakPolarHBondContact CB-O 3.45Å; N31-P229 PolarHBondContact ND2-O 3.08Å; N31-G230 WeakPolarHBondContact CB-O 3.47Å; N31-G230 PolarHBondContact N-O 3.01Å; N31-F232 PolarHBondContact ND2-O 3.42Å
32I98.9Very high95.6Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-109.9132.4171.6-59.6160000107.3Y7 I19 V43 D45 L53Y7-I32 HydrophobicContact CD1-CD1 4.49Å; Y7-I32 HydrophobicContact CE1-CD1 4.12Å; I19-I32 HydrophobicContact CB-CB 3.99Å; I19-I32 HydrophobicContact CB-CG2 4.2Å; I19-I32 HydrophobicContact CD1-CG2 4.49Å; I19-I32 HydrophobicContact CG2-CB 4.47Å; I19-I32 PolarHBondContact N-O 3.24Å; I19-I32 PolarHBondContact O-N 3.37Å; I32-V43 HydrophobicContact CG2-CG2 3.61Å; I32-D45 VanDerWaalsContact CG2-O 3.26Å; I32-D45 WeakPolarHBondContact CG2-O 3.31Å; I32-L53 HydrophobicContact CD1-CD2 4.27Å; I32-L53 HydrophobicContact CG2-CD2 3.91Å
33W98.9Very high95.7Very high4 Ų430.8 Ų30.82%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-114.9124.8-178.4-52.799.5000110.8L12 F17 W18 N31 V43 I44 F186 L228 P229 T234L12-W33 HydrophobicContact CD1-CZ3 4.38Å; L12-W33 HydrophobicContact CD2-CZ3 3.93Å; F17-W33 WeakPolarHBondContact O-CA 3.48Å; W18-W33 HydrophobicContact CB-CE3 4.01Å; W18-W33 HydrophobicContact CB-CH2 4.18Å; W18-W33 HydrophobicContact CB-CZ3 3.5Å; W18-W33 AromaticContact CD1-CH2 3.71Å; W18-W33 AromaticContact CD1-CZ3 3.77Å; W18-W33 HydrophobicContact CG-CE3 4.47Å; W18-W33 HydrophobicContact CG-CH2 4.03Å; W18-W33 AromaticContact CG-CZ3 3.84Å; W18-W33 HydrophobicContact CG-CZ3 3.84Å; N31-W33 HydrophobicContact CB-CZ2 3.68Å; W33-V43 CarbonylContact O-C 3.57Å; W33-V43 VanDerWaalsContact O-CA 3.29Å; W33-V43 WeakPolarHBondContact O-CA 3.4Å; W33-I44 HydrophobicContact CB-CB 4.15Å; W33-I44 HydrophobicContact CB-CD1 4.37Å; W33-I44 PolarHBondContact N-O 3.09Å; W33-I44 PolarHBondContact O-N 2.72Å; W33-F186 HydrophobicContact CB-CD1 3.95Å; W33-F186 HydrophobicContact CB-CE1 3.87Å; W33-F186 HydrophobicContact CD2-CD1 4.32Å; W33-F186 HydrophobicContact CD2-CE1 4.4Å; W33-F186 AromaticContact CG-CD1 3.8Å; W33-F186 HydrophobicContact CG-CD1 3.8Å; W33-F186 HydrophobicContact CG-CE1 4.04Å; W33-L228 HydrophobicContact CD2-CB 4.11Å; W33-L228 HydrophobicContact CD2-CD2 4.17Å; W33-L228 HydrophobicContact CD2-CG 4.4Å; W33-L228 HydrophobicContact CE3-CB 4.35Å; W33-L228 HydrophobicContact CE3-CD2 3.71Å; W33-L228 HydrophobicContact CE3-CG 4.13Å; W33-L228 HydrophobicContact CH2-CB 4.05Å; W33-L228 HydrophobicContact CH2-CD2 4.32Å; W33-L228 HydrophobicContact CH2-CG 3.86Å; W33-L228 HydrophobicContact CZ2-CB 3.79Å; W33-L228 HydrophobicContact CZ2-CG 4.15Å; W33-L228 HydrophobicContact CZ3-CB 4.28Å; W33-L228 HydrophobicContact CZ3-CD2 3.76Å; W33-L228 HydrophobicContact CZ3-CG 3.81Å; W33-P229 WeakPolarHBondContact CZ2-O 2.99Å; W33-P229 PolarHBondContact NE1-O 3.36Å; W33-T234 HydrophobicContact CH2-CG2 3.73Å; W33-T234 HydrophobicContact CZ3-CG2 4.41Å
34L98.8Very high95.8Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-98.4128.3165.5175.173000108.8I16 F17 I19 V42 L57 L62 L63 L77I16-L34 CarbonylContact C-O 3.55Å; I16-L34 WeakPolarHBondContact CA-O 3.39Å; F17-L34 HydrophobicContact CB-CB 4.21Å; F17-L34 HydrophobicContact CD2-CB 4.46Å; F17-L34 HydrophobicContact CD2-CD2 3.89Å; F17-L34 HydrophobicContact CD2-CG 4.32Å; F17-L34 HydrophobicContact CE2-CD2 4.47Å; F17-L34 HydrophobicContact CG-CD2 4.46Å; F17-L34 PolarHBondContact N-O 3.45Å; F17-L34 PolarHBondContact O-N 2.82Å; I19-L34 HydrophobicContact CD1-CB 3.99Å; L34-V42 WeakPolarHBondContact CA-O 3.42Å; L34-L57 HydrophobicContact CD1-CD2 4.47Å; L34-L57 HydrophobicContact CD2-CD2 4.06Å; L34-L62 HydrophobicContact CD2-CB 3.87Å; L34-L62 HydrophobicContact CD2-CD1 4.3Å; L34-L63 HydrophobicContact CD1-CD2 4Å; L34-L63 HydrophobicContact CD2-CD2 4.24Å; L34-L77 HydrophobicContact CD1-CD1 4.31Å
35V98.6Very high95.9Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-118.3110.8174.6-171.70000107.8V42 I44 L157 R160 F186V35-V42 PolarHBondContact N-O 2.65Å; V35-V42 PolarHBondContact O-N 3.19Å; V35-I44 HydrophobicContact CG2-CD1 3.92Å; V35-L157 HydrophobicContact CB-CD2 4.16Å; V35-L157 HydrophobicContact CG1-CD2 3.77Å; V35-R160 VanDerWaalsContact CG1-CD 3.48Å; V35-F186 HydrophobicContact CG2-CE1 3.81Å; V35-F186 HydrophobicContact CG2-CE2 4.1Å; V35-F186 HydrophobicContact CG2-CZ 3.44Å; V35-F186 VanDerWaalsContact CG2-CZ 3.44Å
36R97Very high96.1Very high31 Ų3123.9 Ų23.912%0.11714%0.138CC..  trans-78.5146.4174.2-55.2-62.1-51.9-97.910.5110.4G15 F17 D41 L62 L63 Q64 D65 R160G15-R36 WeakPolarHBondContact O-CG 3.47Å; G15-R36 PolarHBondContact O-N 2.78Å; F17-R36 HydrophobicContact CD2-CG 4.4Å; F17-R36 HydrophobicContact CE2-CG 3.82Å; R36-D41 VanDerWaalsContact CA-OD1 3.22Å; R36-D41 WeakPolarHBondContact CA-OD1 3.14Å; R36-D41 WeakPolarHBondContact CD-OD1 3.31Å; R36-D41 IonicContact CZ-OD1 3.62Å; R36-D41 IonicContact CZ-OD2 2.7Å; R36-D41 VanDerWaalsContact CZ-OD2 3.25Å; R36-D41 IonicContact NE-OD1 3.04Å; R36-D41 PolarHBondContact NE-OD1 2.86Å; R36-D41 IonicContact NE-OD2 3.66Å; R36-D41 PolarHBondContact NE-OD2 2.89Å; R36-D41 IonicContact NH2-OD1 3.19Å; R36-D41 IonicContact NH2-OD2 3.65Å; R36-D41 PolarHBondContact NH2-OD2 2.99Å; R36-L62 PolarHBondContact NH1-O 3.32Å; R36-L63 VanDerWaalsContact NH1-CA 3.27Å; R36-L63 PolarHBondContact NH2-O 2.93Å; R36-L63 VanDerWaalsContact NH2-O 3.14Å; R36-Q64 PolarHBondContact NH1-O 3.42Å; R36-D65 IonicContact NH2-OD1 3.01Å; R36-D65 PolarHBondContact NH2-OD1 3.46Å; R36-R160 PolarHBondContact O-NH1 3.33Å
37G95.2Very high96.4Very high7 Ų722.6 Ų22.67%0.07213%0.129CC..  trans-140.9176.8166.100000112.3Q40 D41 R75 L157 D159G37-Q40 PolarHBondContact N-O 3.47Å; G37-D41 PolarHBondContact N-OD1 2.77Å; G37-R75 WeakPolarHBondContact O-CD 3.28Å; G37-R75 PolarHBondContact O-NE 3.29Å; G37-R75 VanDerWaalsContact O-NE 3.16Å; G37-R75 PolarHBondContact O-NH1 2.86Å; G37-L157 CarbonylContact C-O 3.49Å; G37-D159 WeakPolarHBondContact CA-OD1 3.08Å
38S93.7Very high96.9Very high58 Ų5819.6 Ų19.641%0.40610%0.098SC..SBendtrans-74.2-26.9-177.361.90000114.2R75 L157 G158 D159S38-R75 VanDerWaalsContact C-NE 3.3Å; S38-R75 PolarHBondContact O-NE 2.87Å; S38-L157 PolarHBondContact N-O 2.98Å; S38-L157 VanDerWaalsContact N-O 3.1Å; S38-G158 WeakPolarHBondContact OG-CA 3.45Å; S38-D159 PolarHBondContact N-OD1 3.01Å; S38-D159 PolarHBondContact OG-N 2.84Å; S38-D159 PolarHBondContact OG-OD1 2.95Å
39E93.9Very high97.5Very high130 Ų13016.5 Ų16.561%0.6078%0.082SC*.SBendtrans-116.3-33.9-177.6-66-175177.800113.4P76 L157E39-P76 WeakPolarHBondContact O-CD 3.47Å; E39-L157 PolarHBondContact N-O 3.1Å
40Q95.2Very high97.5Very high23 Ų2314 Ų1411%0.1077%0.074CC..  trans-145.2145.8-179.4-179.4178.9-81.700110.4G37 P76 R97 L157G37-Q40 PolarHBondContact N-O 3.47Å; Q40-P76 HydrophobicContact CG-CB 4.27Å; Q40-P76 WeakPolarHBondContact CG-O 3.33Å; Q40-R97 VanDerWaalsContact OE1-CZ 3.25Å; Q40-L157 PolarHBondContact N-O 2.9Å; Q40-L157 WeakPolarHBondContact O-CB 3.43Å; Q40-L157 WeakPolarHBondContact O-CG 3.5Å
41D97.8Very high97.5Very high3 Ų317.1 Ų17.12%0.0169%0.086CC..EExtended strand (participates in β ladder)trans-101.5147.9170.8-61.8-42.4000110.4R36 G37 L63 P76 L77 L78R36-D41 VanDerWaalsContact CA-OD1 3.22Å; R36-D41 WeakPolarHBondContact CA-OD1 3.14Å; R36-D41 WeakPolarHBondContact CD-OD1 3.31Å; R36-D41 IonicContact CZ-OD1 3.62Å; R36-D41 IonicContact CZ-OD2 2.7Å; R36-D41 VanDerWaalsContact CZ-OD2 3.25Å; R36-D41 IonicContact NE-OD1 3.04Å; R36-D41 PolarHBondContact NE-OD1 2.86Å; R36-D41 IonicContact NE-OD2 3.66Å; R36-D41 PolarHBondContact NE-OD2 2.89Å; R36-D41 IonicContact NH2-OD1 3.19Å; R36-D41 IonicContact NH2-OD2 3.65Å; R36-D41 PolarHBondContact NH2-OD2 2.99Å; G37-D41 PolarHBondContact N-OD1 2.77Å; D41-L63 HydrophobicContact CB-CD2 4.37Å; D41-P76 PolarHBondContact N-O 2.9Å; D41-L77 HydrophobicContact CB-CD1 3.87Å; D41-L77 WeakPolarHBondContact O-CA 3.5Å; D41-L78 PolarHBondContact O-N 3.24Å
42V98.7Very high97.5Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-123.6132.1176.9174.30000109.7L34 V35 I44 L78 V80 I155 L157L34-V42 WeakPolarHBondContact CA-O 3.42Å; V35-V42 PolarHBondContact N-O 2.65Å; V35-V42 PolarHBondContact O-N 3.19Å; V42-I44 HydrophobicContact CG1-CG1 3.81Å; V42-L78 CarbonylContact C-O 3.56Å; V42-L78 WeakPolarHBondContact CA-O 3.16Å; V42-L78 HydrophobicContact CG2-CB 4.35Å; V42-V80 HydrophobicContact CG1-CB 4.45Å; V42-V80 HydrophobicContact CG1-CG2 3.69Å; V42-I155 HydrophobicContact CG2-CG2 3.85Å; V42-L157 HydrophobicContact CB-CD2 4.2Å; V42-L157 HydrophobicContact CG2-CD1 3.79Å; V42-L157 HydrophobicContact CG2-CD2 3.89Å; V42-L157 HydrophobicContact CG2-CG 3.82Å
43V98.9Very high97.5Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-105.2127.3162.767.60000108.8I32 W33 L53 L77 L78 A79 V80 F95I32-V43 HydrophobicContact CG2-CG2 3.61Å; W33-V43 CarbonylContact O-C 3.57Å; W33-V43 VanDerWaalsContact O-CA 3.29Å; W33-V43 WeakPolarHBondContact O-CA 3.4Å; V43-L53 HydrophobicContact CG2-CD2 4.12Å; V43-L77 HydrophobicContact CB-CD1 4.47Å; V43-L77 HydrophobicContact CG1-CD1 4.47Å; V43-L78 PolarHBondContact N-O 2.8Å; V43-A79 HydrophobicContact CG1-CB 3.61Å; V43-A79 CarbonylContact O-C 3.46Å; V43-A79 WeakPolarHBondContact O-CA 3.17Å; V43-V80 PolarHBondContact O-N 2.91Å; V43-F95 HydrophobicContact CG1-CD1 4.24Å; V43-F95 HydrophobicContact CG1-CE1 3.57Å; V43-F95 HydrophobicContact CG1-CZ 3.78Å
44I98.9Very high97.4Very high1 Ų120 Ų201%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-106.1118.3-179.2-51.7168.3000106.7W33 V35 V42 V80 T82 L162 L177 F186W33-I44 HydrophobicContact CB-CB 4.15Å; W33-I44 HydrophobicContact CB-CD1 4.37Å; W33-I44 PolarHBondContact N-O 3.09Å; W33-I44 PolarHBondContact O-N 2.72Å; V35-I44 HydrophobicContact CG2-CD1 3.92Å; V42-I44 HydrophobicContact CG1-CG1 3.81Å; I44-V80 WeakPolarHBondContact CA-O 3.33Å; I44-T82 HydrophobicContact CG2-CG2 3.51Å; I44-L162 HydrophobicContact CD1-CD1 4.41Å; I44-L177 HydrophobicContact CD1-CD1 3.69Å; I44-L177 HydrophobicContact CG1-CD1 3.73Å; I44-L177 HydrophobicContact CG2-CD1 4.06Å; I44-F186 HydrophobicContact CD1-CB 3.86Å; I44-F186 HydrophobicContact CD1-CD1 3.5Å; I44-F186 HydrophobicContact CD1-CD2 3.86Å; I44-F186 HydrophobicContact CD1-CE1 3.92Å; I44-F186 HydrophobicContact CD1-CE2 4.26Å; I44-F186 HydrophobicContact CD1-CG 3.46Å; I44-F186 VanDerWaalsContact CD1-CG 3.46Å; I44-F186 HydrophobicContact CD1-CZ 4.29Å
45D98.9Very high97.3Very high1 Ų125 Ų251%0.00513%0.13CC..  trans57.8165.7-168.2-57.5-29000113.3I32 V80 T82 H88I32-D45 VanDerWaalsContact CG2-O 3.26Å; I32-D45 WeakPolarHBondContact CG2-O 3.31Å; D45-V80 PolarHBondContact N-O 2.78Å; D45-T82 PolarHBondContact OD1-N 2.83Å; D45-T82 PolarHBondContact OD1-OG1 3.36Å; D45-T82 WeakPolarHBondContact OD2-CG2 3.38Å; D45-T82 PolarHBondContact OD2-OG1 3.05Å; D45-H88 HydrophobicContact CB-CB 3.98Å; D45-H88 VanDerWaalsContact CG-ND1 3.34Å; D45-H88 IonicContact OD1-ND1 2.69Å; D45-H88 IonicContact OD2-CE1 2.96Å; D45-H88 IonicContact OD2-CG 3.65Å; D45-H88 IonicContact OD2-ND1 3.62Å; D45-H88 PolarHBondContact OD2-ND1 3.24Å
46T98.7Very high97.3Very high0 Ų025.4 Ų25.40%013%0.132CC..  trans-140.74.3-165.958.80000114.9L53 A79 H88 G91 L92 F95T46-L53 HydrophobicContact CG2-CD2 4.3Å; T46-A79 HydrophobicContact CG2-CB 4.29Å; T46-H88 PolarHBondContact N-O 3.21Å; T46-H88 PolarHBondContact OG1-O 3.41Å; T46-G91 VanDerWaalsContact OG1-CA 3.25Å; T46-G91 WeakPolarHBondContact OG1-CA 3.26Å; T46-G91 PolarHBondContact OG1-N 3.38Å; T46-L92 HydrophobicContact CG2-CD2 3.67Å; T46-L92 HydrophobicContact CG2-CG 4.23Å; T46-L92 PolarHBondContact OG1-N 3.26Å; T46-L92 VanDerWaalsContact OG1-N 3.17Å; T46-F95 HydrophobicContact CG2-CD2 4.16Å; T46-F95 HydrophobicContact CG2-CE2 3.58Å; T46-F95 HydrophobicContact CG2-CZ 4.19Å
47G98.1Very high97.3Very high0 Ų024 Ų240%013%0.126CC..THydrogen-bonded Turntrans71.1-160-17800000112.1E21 G49 D87 G90 G91E21-G47 WeakPolarHBondContact OE2-CA 3.47Å; G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 2.89Å; G47-D87 CarbonylContact C-O 3.57Å; G47-D87 WeakPolarHBondContact CA-O 3.27Å; G47-D87 PolarHBondContact N-O 3.11Å; G47-G90 WeakPolarHBondContact O-CA 3.44Å; G47-G90 PolarHBondContact O-N 2.89Å; G47-G90 VanDerWaalsContact O-N 3.13Å; G47-G91 PolarHBondContact O-N 2.84Å
48L97.9Very high97.2Very high1 Ų128.8 Ų28.81%0.00514%0.143CC..THydrogen-bonded Turntrans-70-22.2176.4-60.6177000113.4E21 Y24 L50 F86 D87 G90 L120 V125 F138E21-L48 PolarHBondContact OE1-N 3.23Å; E21-L48 WeakPolarHBondContact OE2-CG 3.46Å; E21-L48 PolarHBondContact OE2-N 3.39Å; Y24-L48 HydrophobicContact CD1-CD1 3.64Å; Y24-L48 HydrophobicContact CD1-CD2 4.42Å; Y24-L48 HydrophobicContact CD1-CG 3.85Å; Y24-L48 HydrophobicContact CD2-CD1 3.73Å; Y24-L48 HydrophobicContact CE1-CD1 3.95Å; Y24-L48 HydrophobicContact CE1-CD2 3.98Å; Y24-L48 HydrophobicContact CE1-CG 3.91Å; Y24-L48 HydrophobicContact CE2-CD1 4.02Å; Y24-L48 HydrophobicContact CG-CD1 3.54Å; Y24-L48 HydrophobicContact CG-CG 4.28Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 HydrophobicContact CB-CD1 4.27Å; L48-L50 HydrophobicContact CB-CG 3.85Å; L48-L50 HydrophobicContact CD1-CD1 3.81Å; L48-L50 HydrophobicContact CD1-CG 4.32Å; L48-L50 PolarHBondContact O-N 3.15Å; L48-F86 HydrophobicContact CD2-CD2 3.54Å; L48-F86 HydrophobicContact CD2-CE2 3.57Å; L48-D87 HydrophobicContact CD2-CB 4.32Å; L48-G90 CarbonylContact O-C 3.55Å; L48-L120 HydrophobicContact CD1-CD1 4.06Å; L48-L120 HydrophobicContact CD1-CD2 4.32Å; L48-L120 HydrophobicContact CD2-CD1 4.34Å; L48-V125 HydrophobicContact CD1-CG2 4.48Å; L48-F138 HydrophobicContact CB-CE2 4.31Å; L48-F138 HydrophobicContact CB-CZ 4.24Å; L48-F138 HydrophobicContact CD2-CE1 4.33Å; L48-F138 HydrophobicContact CD2-CZ 4.19Å; L48-F138 WeakPolarHBondContact O-CE2 3.44Å; L48-F138 WeakPolarHBondContact O-CZ 3.21Å
49G97.1Very high97.2Very high3 Ų328.5 Ų28.53%0.03114%0.141CC..  trans70.124.7-176.100000114.4G47 R51 G91 Y93 Q94G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 2.89Å; G49-R51 PolarHBondContact O-N 3.49Å; G49-G91 VanDerWaalsContact CA-CA 3.48Å; G49-Y93 PolarHBondContact O-OH 2.67Å; G49-Q94 PolarHBondContact O-NE2 3.12Å
50L96.9Very high97.3Very high25 Ų2524 Ų2413%0.13112%0.123CC..SBendtrans-72.8-17.7177.6-66.5-177.2000113.2W6 L48 V125 P129 W133 F138W6-L50 HydrophobicContact CH2-CB 3.98Å; W6-L50 HydrophobicContact CH2-CD1 3.76Å; W6-L50 HydrophobicContact CZ2-CB 3.6Å; W6-L50 HydrophobicContact CZ2-CD1 3.67Å; W6-L50 HydrophobicContact CZ2-CG 4.17Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 HydrophobicContact CB-CD1 4.27Å; L48-L50 HydrophobicContact CB-CG 3.85Å; L48-L50 HydrophobicContact CD1-CD1 3.81Å; L48-L50 HydrophobicContact CD1-CG 4.32Å; L48-L50 PolarHBondContact O-N 3.15Å; L50-V125 HydrophobicContact CD1-CG1 4.3Å; L50-V125 HydrophobicContact CD1-CG2 4.1Å; L50-P129 HydrophobicContact CB-CB 4.07Å; L50-P129 HydrophobicContact CB-CG 4.24Å; L50-P129 HydrophobicContact CD1-CG 4.24Å; L50-P129 HydrophobicContact CD2-CG 4.34Å; L50-W133 HydrophobicContact CD1-CH2 4.35Å; L50-W133 HydrophobicContact CD1-CZ2 3.85Å; L50-W133 HydrophobicContact CD2-CZ2 3.91Å; L50-F138 HydrophobicContact CD2-CD2 3.61Å; L50-F138 HydrophobicContact CD2-CE2 3.92Å
51R97.1Very high97.2Very high64 Ų6424 Ų2424%0.24213%0.13CC..SBendtrans-135.4165.3170.3-70.2-59.1-170.7-170.48.8110.3M1 W6 Y7 G49 L53 Q94 P129M1-R51 PolarHBondContact O-NE 3.34Å; M1-R51 PolarHBondContact O-NH2 3Å; W6-R51 HydrophobicContact CB-CB 3.82Å; W6-R51 HydrophobicContact CB-CG 3.67Å; W6-R51 HydrophobicContact CD2-CB 4.07Å; W6-R51 HydrophobicContact CD2-CG 3.51Å; W6-R51 HydrophobicContact CE3-CG 3.64Å; W6-R51 HydrophobicContact CG-CB 3.63Å; W6-R51 HydrophobicContact CG-CG 3.5Å; W6-R51 VanDerWaalsContact CG-CG 3.5Å; Y7-R51 HydrophobicContact CE2-CB 3.9Å; Y7-R51 PolarHBondContact OH-O 3.42Å; G49-R51 PolarHBondContact O-N 3.49Å; R51-L53 PolarHBondContact O-N 3.27Å; R51-Q94 PolarHBondContact O-NE2 3.04Å; R51-Q94 PolarHBondContact O-OE1 2.86Å; R51-P129 PolarHBondContact NH1-O 3.06Å; R51-P129 PolarHBondContact NH2-O 3.44Å
52S97.8Very high97Very high40 Ų4024.2 Ų24.228%0.2813%0.131SC..  trans-74.3105.3-176.7-179.70000110.8A3 E55 Y56A3-S52 VanDerWaalsContact CB-O 3.31Å; A3-S52 WeakPolarHBondContact CB-O 3.48Å; S52-E55 WeakPolarHBondContact OG-CB 3.5Å; S52-E55 PolarHBondContact OG-N 3.09Å; S52-E55 VanDerWaalsContact OG-N 3.17Å; S52-Y56 PolarHBondContact O-N 3.16Å; S52-Y56 VanDerWaalsContact O-N 3.1Å
53L98.6Very high96.7Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-66.8-42.3172.4-179.860.1000111.9Y7 I19 I32 V43 T46 R51 E55 Y56 L57 F95Y7-L53 HydrophobicContact CD1-CD1 4.12Å; Y7-L53 HydrophobicContact CE1-CB 4.49Å; Y7-L53 HydrophobicContact CE1-CD1 4Å; Y7-L53 HydrophobicContact CE2-CB 4.31Å; Y7-L53 HydrophobicContact CE2-CD1 4.45Å; Y7-L53 HydrophobicContact CG-CD1 4.4Å; I19-L53 HydrophobicContact CG2-CD1 4.21Å; I32-L53 HydrophobicContact CD1-CD2 4.27Å; I32-L53 HydrophobicContact CG2-CD2 3.91Å; V43-L53 HydrophobicContact CG2-CD2 4.12Å; T46-L53 HydrophobicContact CG2-CD2 4.3Å; R51-L53 PolarHBondContact O-N 3.27Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.3Å; L53-Y56 HydrophobicContact CD1-CD1 4.15Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 2.78Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 4.13Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.09Å; L53-F95 HydrophobicContact CB-CE2 4.42Å; L53-F95 HydrophobicContact CB-CZ 4.14Å; L53-F95 HydrophobicContact CD2-CE2 4.28Å; L53-F95 HydrophobicContact CD2-CZ 3.86Å; L53-F95 HydrophobicContact CG-CZ 3.99Å
54P97.8Very high96.1Very high33 Ų3332 Ų3221%0.21417%0.169CC..Hα-helixtrans-56.9-42.1173.6-2432.1000113.3Y56 L57 Y58 Q94 F95P54-Y56 VanDerWaalsContact C-N 3.34Å; P54-Y56 PolarHBondContact O-N 2.91Å; P54-L57 PolarHBondContact O-N 3.17Å; P54-Y58 PolarHBondContact O-N 3.3Å; P54-Y58 VanDerWaalsContact O-N 3.08Å; P54-Q94 VanDerWaalsContact CD-OE1 3.31Å; P54-Q94 HydrophobicContact CG-CB 3.93Å; P54-Q94 WeakPolarHBondContact CG-O 3.47Å; P54-F95 HydrophobicContact CG-CD1 4.07Å; P54-F95 HydrophobicContact CG-CD2 4.33Å; P54-F95 HydrophobicContact CG-CE1 3.77Å; P54-F95 HydrophobicContact CG-CE2 4.05Å; P54-F95 HydrophobicContact CG-CG 4.34Å; P54-F95 HydrophobicContact CG-CZ 3.76Å
55E96.8Very high94.9Very high104 Ų10434.7 Ų34.749%0.48618%0.183SC..Hα-helixtrans-62.3-42.9175.2-175.1-168.1159.400110.9A3 S52 L53 Y58 S59A3-E55 HydrophobicContact CB-CB 4.15Å; A3-E55 HydrophobicContact CB-CG 4.17Å; S52-E55 WeakPolarHBondContact OG-CB 3.5Å; S52-E55 PolarHBondContact OG-N 3.09Å; S52-E55 VanDerWaalsContact OG-N 3.17Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.3Å; E55-Y58 PolarHBondContact O-N 3.02Å; E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.3Å; E55-S59 PolarHBondContact O-N 2.88Å; E55-S59 PolarHBondContact O-OG 3.42Å
56Y98.3Very high93.2Very high10 Ų1047.1 Ų47.14%0.03923%0.23CC..Hα-helixtrans-59.9-50.5175.5176.6-106.7000112.1A3 L4 Y7 A8 H9 I19 S52 L53 P54 Y58 S59 S60 L62A3-Y56 WeakPolarHBondContact O-CD2 3.44Å; L4-Y56 HydrophobicContact CD2-CD2 4.17Å; L4-Y56 HydrophobicContact CD2-CE2 4.32Å; Y7-Y56 HydrophobicContact CD2-CD1 4.3Å; Y7-Y56 HydrophobicContact CD2-CD2 4.19Å; Y7-Y56 AromaticContact CD2-CG 3.8Å; Y7-Y56 HydrophobicContact CD2-CG 3.8Å; Y7-Y56 HydrophobicContact CG-CD1 4.07Å; Y7-Y56 HydrophobicContact CG-CD2 4.34Å; Y7-Y56 HydrophobicContact CG-CE1 4.49Å; Y7-Y56 AromaticContact CG-CG 3.97Å; Y7-Y56 HydrophobicContact CG-CG 3.97Å; Y7-Y56 WeakPolarHBondContact O-CE2 3.22Å; Y7-Y56 PolarHBondContact O-OH 3.26Å; A8-Y56 VanDerWaalsContact C-OH 3.22Å; A8-Y56 VanDerWaalsContact CA-OH 3.31Å; A8-Y56 WeakPolarHBondContact CA-OH 3.43Å; H9-Y56 HydrophobicContact CB-CE1 4.41Å; H9-Y56 PolarHBondContact N-OH 3.1Å; H9-Y56 AromaticContact ND1-CZ 3.68Å; H9-Y56 PolarHBondContact ND1-OH 3.33Å; I19-Y56 HydrophobicContact CG2-CD1 4.3Å; I19-Y56 HydrophobicContact CG2-CE1 3.9Å; S52-Y56 PolarHBondContact O-N 3.16Å; S52-Y56 VanDerWaalsContact O-N 3.1Å; L53-Y56 HydrophobicContact CD1-CD1 4.15Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 2.78Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; P54-Y56 VanDerWaalsContact C-N 3.34Å; P54-Y56 PolarHBondContact O-N 2.91Å; Y56-Y58 PolarHBondContact O-N 2.94Å; Y56-S59 PolarHBondContact O-N 2.8Å; Y56-S59 PolarHBondContact O-OG 3.14Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.82Å; Y56-S60 PolarHBondContact O-OG 3.25Å; Y56-L62 HydrophobicContact CE1-CD1 4.13Å
57L97.4Very high91.4Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-57.3-38.1-179.5-68.8176.8000111.7I19 L34 L53 P54 S60 L62 L63 L77 F95I19-L57 HydrophobicContact CD1-CD2 3.39Å; L34-L57 HydrophobicContact CD1-CD2 4.47Å; L34-L57 HydrophobicContact CD2-CD2 4.06Å; L53-L57 HydrophobicContact CD1-CD2 4.39Å; L53-L57 HydrophobicContact CD1-CG 4.13Å; L53-L57 HydrophobicContact CG-CD1 4.23Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.09Å; P54-L57 PolarHBondContact O-N 3.17Å; L57-S60 PolarHBondContact O-OG 3Å; L57-L62 HydrophobicContact CD2-CD1 4Å; L57-L62 WeakPolarHBondContact O-CB 3.45Å; L57-L62 PolarHBondContact O-N 2.78Å; L57-L63 HydrophobicContact CB-CD1 3.67Å; L57-L63 HydrophobicContact CB-CG 3.87Å; L57-L63 PolarHBondContact O-N 2.66Å; L57-L77 HydrophobicContact CD1-CD2 3.88Å; L57-F95 HydrophobicContact CD1-CE1 4.42Å
58Y92.9Very high89.9Confident109 Ų10953.3 Ų53.343%0.42729%0.29SS..Hα-helixtrans-74.1-55.3176.3-176.1-101.1000112.8P54 E55 Y56 S60 G61 R74P54-Y58 PolarHBondContact O-N 3.3Å; P54-Y58 VanDerWaalsContact O-N 3.08Å; E55-Y58 PolarHBondContact O-N 3.02Å; Y56-Y58 PolarHBondContact O-N 2.94Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 2.96Å; Y58-G61 PolarHBondContact O-N 2.81Å; Y58-R74 VanDerWaalsContact CE2-CZ 3.44Å; Y58-R74 PolarHBondContact OH-NH2 2.76Å
59S94.1Very high88.2Confident52 Ų5261.3 Ų61.336%0.36432%0.324SS..Hα-helixtrans-69.2-24.7-173.258.70000113.7L4 E55 Y56 G61L4-S59 WeakPolarHBondContact CD2-OG 3.5Å; L4-S59 WeakPolarHBondContact CG-OG 3.4Å; E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.3Å; E55-S59 PolarHBondContact O-N 2.88Å; E55-S59 PolarHBondContact O-OG 3.42Å; Y56-S59 PolarHBondContact O-N 2.8Å; Y56-S59 PolarHBondContact O-OG 3.14Å; S59-G61 PolarHBondContact O-N 2.92Å
60S95.7Very high86.6Confident34 Ų3470.7 Ų70.724%0.23837%0.367CS..THydrogen-bonded Turntrans-78.3-6.617362.90000113.6Y56 L57 Y58 L62Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.82Å; Y56-S60 PolarHBondContact O-OG 3.25Å; L57-S60 PolarHBondContact O-OG 3Å; Y58-S60 VanDerWaalsContact C-N 3.29Å; Y58-S60 PolarHBondContact O-N 2.96Å; S60-L62 VanDerWaalsContact C-N 3.25Å; S60-L62 PolarHBondContact O-N 3.18Å; S60-L62 WeakPolarHBondContact OG-CG 3.4Å
61G93Very high85Confident24 Ų2476.2 Ų76.225%0.24740%0.397CS..THydrogen-bonded Turntrans77.84.6-176.100000114.3Y58 S59 L63 Q64Y58-G61 PolarHBondContact O-N 2.81Å; S59-G61 PolarHBondContact O-N 2.92Å; G61-L63 PolarHBondContact O-N 3.22Å; G61-Q64 WeakPolarHBondContact O-CB 3.37Å; G61-Q64 PolarHBondContact O-N 2.87Å; G61-Q64 VanDerWaalsContact O-N 3.1Å
62L94.6Very high83.5Confident8 Ų875.7 Ų75.74%0.04241%0.406CS..THydrogen-bonded Turntrans-64.7-25.6-177.8-77.7179.7000114H9 F17 I19 L34 R36 Y56 L57 S60H9-L62 HydrophobicContact CB-CD1 4.12Å; F17-L62 HydrophobicContact CB-CD2 4.49Å; F17-L62 HydrophobicContact CD1-CD2 3.31Å; F17-L62 HydrophobicContact CD2-CD2 4.25Å; F17-L62 HydrophobicContact CE1-CD2 3.38Å; F17-L62 HydrophobicContact CE2-CD2 4.31Å; F17-L62 HydrophobicContact CG-CD2 3.77Å; F17-L62 HydrophobicContact CZ-CD2 3.9Å; I19-L62 HydrophobicContact CD1-CD1 4.06Å; I19-L62 HydrophobicContact CG1-CD1 4.41Å; L34-L62 HydrophobicContact CD2-CB 3.87Å; L34-L62 HydrophobicContact CD2-CD1 4.3Å; R36-L62 PolarHBondContact NH1-O 3.32Å; Y56-L62 HydrophobicContact CE1-CD1 4.13Å; L57-L62 HydrophobicContact CD2-CD1 4Å; L57-L62 WeakPolarHBondContact O-CB 3.45Å; L57-L62 PolarHBondContact O-N 2.78Å; S60-L62 VanDerWaalsContact C-N 3.25Å; S60-L62 PolarHBondContact O-N 3.18Å; S60-L62 WeakPolarHBondContact OG-CG 3.4Å
63L92.3Very high82.2Confident40 Ų4078.6 Ų78.621%0.20943%0.432CS..THydrogen-bonded Turntrans-96.6-0.2176.4-61.8179.4000113.8L34 R36 D41 L57 G61 L77L34-L63 HydrophobicContact CD1-CD2 4Å; L34-L63 HydrophobicContact CD2-CD2 4.24Å; R36-L63 VanDerWaalsContact NH1-CA 3.27Å; R36-L63 PolarHBondContact NH2-O 2.93Å; R36-L63 VanDerWaalsContact NH2-O 3.14Å; D41-L63 HydrophobicContact CB-CD2 4.37Å; L57-L63 HydrophobicContact CB-CD1 3.67Å; L57-L63 HydrophobicContact CB-CG 3.87Å; L57-L63 PolarHBondContact O-N 2.66Å; G61-L63 PolarHBondContact O-N 3.22Å; L63-L77 HydrophobicContact CD1-CD2 4.04Å
64Q84.4Confident81.3Confident123 Ų12387.3 Ų87.358%0.57547%0.465SS*.  trans-78.5142.4177.4-64.9176.313.300110.4R36 G61R36-Q64 PolarHBondContact NH1-O 3.42Å; G61-Q64 WeakPolarHBondContact O-CB 3.37Å; G61-Q64 PolarHBondContact O-N 2.87Å; G61-Q64 VanDerWaalsContact O-N 3.1Å
65D74.4Confident80.9Confident58 Ų5889.1 Ų89.131%0.3147%0.468SS..  trans-87.5134.5172.9-74.7-15.3000110R36 G67 A68 R75R36-D65 IonicContact NH2-OD1 3.01Å; R36-D65 PolarHBondContact NH2-OD1 3.46Å; D65-G67 PolarHBondContact O-N 3.37Å; D65-A68 HydrophobicContact CB-CB 3.53Å; D65-A68 PolarHBondContact O-N 3.5Å; D65-A68 VanDerWaalsContact O-N 3.17Å; D65-R75 IonicContact OD1-CZ 3.27Å; D65-R75 VanDerWaalsContact OD1-CZ 3.27Å; D65-R75 IonicContact OD1-NH1 2.61Å; D65-R75 PolarHBondContact OD1-NH1 2.88Å; D65-R75 IonicContact OD1-NH2 3.22Å; D65-R75 PolarHBondContact OD1-NH2 3.45Å; D65-R75 IonicContact OD2-CZ 3.25Å; D65-R75 VanDerWaalsContact OD2-CZ 3.25Å; D65-R75 IonicContact OD2-NH1 3.41Å; D65-R75 PolarHBondContact OD2-NH1 3.28Å; D65-R75 IonicContact OD2-NH2 2.7Å; D65-R75 PolarHBondContact OD2-NH2 2.85Å
66R64.4Low80.8Confident261 Ų26187 Ų8799%0.98546%0.464SS*.THydrogen-bonded Turntrans-63.1107.4175.3-70.6-169.8179.4-166.11.2109
67G60.7Low80.8Confident84 Ų8488.2 Ų88.287%0.86647%0.47SS*.THydrogen-bonded Turntrans90.95.4177.400000115.5D65D65-G67 PolarHBondContact O-N 3.37Å
68A65Low80.8Confident47 Ų4788.3 Ų88.339%0.38847%0.471SS..  trans-73145.8169.200000111D65 A72D65-A68 HydrophobicContact CB-CB 3.53Å; D65-A68 PolarHBondContact O-N 3.5Å; D65-A68 VanDerWaalsContact O-N 3.17Å; A68-A72 HydrophobicContact CB-CB 4.11Å
69K62.5Low81.1Confident168 Ų16883.1 Ų83.173%0.7345%0.45SS*.  trans-66.5150169.6-63.7-177.9178-178.40109.4D71 A72K69-D71 PolarHBondContact O-N 3.39Å; K69-A72 WeakPolarHBondContact O-CB 3.37Å; K69-A72 PolarHBondContact O-N 2.81Å
70E63.9Low81.3Confident200 Ų20080.6 Ų80.694%0.93543%0.433SS*.THydrogen-bonded Turntrans-55-23.8-179-74.1-178151.400113.4
71D62.4Low81.5Confident142 Ų14279 Ų7976%0.75942%0.422SS*.THydrogen-bonded Turntrans-101.88.1-174.332.9-40.1000113.6K69K69-D71 PolarHBondContact O-N 3.39Å
72A66.6Low81.8Confident52 Ų5277.9 Ų77.943%0.4341%0.41SS..SBendtrans-65138.9169.400000111.3A68 K69 R74A68-A72 HydrophobicContact CB-CB 4.11Å; K69-A72 WeakPolarHBondContact O-CB 3.37Å; K69-A72 PolarHBondContact O-N 2.81Å; A72-R74 PolarHBondContact O-N 2.65Å
73A70.2Confident82Confident101 Ų10177.6 Ų77.684%0.83541%0.408SS*.PPolyproline II helixtrans-58.9131.4175.200000110.3
74R80.4Confident82.2Confident183 Ų18375.7 Ų75.769%0.69140%0.399SS*.PPolyproline II helixtrans-66.4138.8179.9-63.7179.4-176.6171.60.4109.8Y58 A72Y58-R74 VanDerWaalsContact CE2-CZ 3.44Å; Y58-R74 PolarHBondContact OH-NH2 2.76Å; A72-R74 PolarHBondContact O-N 2.65Å
75R88.9Confident82.9Confident71 Ų7170.2 Ų70.227%0.26837%0.373SS..PPolyproline II helixtrans-59.9143.8167.9-69-163.1-170.888.820.1109.6G37 S38 D65G37-R75 WeakPolarHBondContact O-CD 3.28Å; G37-R75 PolarHBondContact O-NE 3.29Å; G37-R75 VanDerWaalsContact O-NE 3.16Å; G37-R75 PolarHBondContact O-NH1 2.86Å; S38-R75 VanDerWaalsContact C-NE 3.3Å; S38-R75 PolarHBondContact O-NE 2.87Å; D65-R75 IonicContact OD1-CZ 3.27Å; D65-R75 VanDerWaalsContact OD1-CZ 3.27Å; D65-R75 IonicContact OD1-NH1 2.61Å; D65-R75 PolarHBondContact OD1-NH1 2.88Å; D65-R75 IonicContact OD1-NH2 3.22Å; D65-R75 PolarHBondContact OD1-NH2 3.45Å; D65-R75 IonicContact OD2-CZ 3.25Å; D65-R75 VanDerWaalsContact OD2-CZ 3.25Å; D65-R75 IonicContact OD2-NH1 3.41Å; D65-R75 PolarHBondContact OD2-NH1 3.28Å; D65-R75 IonicContact OD2-NH2 2.7Å; D65-R75 PolarHBondContact OD2-NH2 2.85Å
76P94.6Very high84Confident61 Ų6167.7 Ų67.740%0.39636%0.359SS..PPolyproline II helixtrans-57.7142.5169.3-2032000110.4E39 Q40 D41E39-P76 WeakPolarHBondContact O-CD 3.47Å; Q40-P76 HydrophobicContact CG-CB 4.27Å; Q40-P76 WeakPolarHBondContact CG-O 3.33Å; D41-P76 PolarHBondContact N-O 2.9Å
77L97.5Very high85.6Confident34 Ų3455.7 Ų55.718%0.17832%0.315CS..EExtended strand (participates in β ladder)trans-116.1123.3176179.961.3000108.7L34 D41 V43 L57 L63 F95L34-L77 HydrophobicContact CD1-CD1 4.31Å; D41-L77 HydrophobicContact CB-CD1 3.87Å; D41-L77 WeakPolarHBondContact O-CA 3.5Å; V43-L77 HydrophobicContact CB-CD1 4.47Å; V43-L77 HydrophobicContact CG1-CD1 4.47Å; L57-L77 HydrophobicContact CD1-CD2 3.88Å; L63-L77 HydrophobicContact CD1-CD2 4.04Å; L77-F95 HydrophobicContact CD2-CD1 4.11Å; L77-F95 HydrophobicContact CD2-CE1 3.75Å; L77-F95 HydrophobicContact CG-CD1 4.4Å; L77-F95 HydrophobicContact CG-CE1 4.31Å
78L98.8Very high87.4Confident2 Ų251.7 Ų51.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-107.2123.4175.6179.466.1000109.6D41 V42 V43 V80 R97 A99 L147 I155D41-L78 PolarHBondContact O-N 3.24Å; V42-L78 CarbonylContact C-O 3.56Å; V42-L78 WeakPolarHBondContact CA-O 3.16Å; V42-L78 HydrophobicContact CG2-CB 4.35Å; V43-L78 PolarHBondContact N-O 2.8Å; L78-V80 HydrophobicContact CD2-CG2 3.91Å; L78-V80 HydrophobicContact CG-CG2 3.92Å; L78-R97 HydrophobicContact CD1-CB 3.86Å; L78-A99 HydrophobicContact CD1-CB 4.04Å; L78-A99 HydrophobicContact CD2-CB 4.31Å; L78-A99 HydrophobicContact CG-CB 4.36Å; L78-L147 HydrophobicContact CD2-CD2 4.4Å; L78-I155 HydrophobicContact CD2-CD1 4.44Å; L78-I155 HydrophobicContact CD2-CG2 3.85Å
79A98.9Very high89Confident0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-89.5125167.900000110.1V43 T46 L92 F95 R97 V98 A99V43-A79 HydrophobicContact CG1-CB 3.61Å; V43-A79 CarbonylContact O-C 3.46Å; V43-A79 WeakPolarHBondContact O-CA 3.17Å; T46-A79 HydrophobicContact CG2-CB 4.29Å; A79-L92 HydrophobicContact CB-CD2 3.84Å; A79-F95 HydrophobicContact CB-CB 3.85Å; A79-F95 HydrophobicContact CB-CD1 3.77Å; A79-F95 HydrophobicContact CB-CD2 3.84Å; A79-F95 HydrophobicContact CB-CE1 4.26Å; A79-F95 HydrophobicContact CB-CE2 4.34Å; A79-F95 HydrophobicContact CB-CG 3.54Å; A79-R97 PolarHBondContact N-O 3.44Å; A79-V98 CarbonylContact O-C 3.21Å; A79-V98 VanDerWaalsContact O-CA 3.31Å; A79-V98 WeakPolarHBondContact O-CA 3.46Å; A79-A99 PolarHBondContact O-N 3.45Å
80V98.9Very high90.7Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-116.1122.2-179.8-173.60000108.5V42 V43 I44 D45 L78 A99 L149 I155 I175 L177V42-V80 HydrophobicContact CG1-CB 4.45Å; V42-V80 HydrophobicContact CG1-CG2 3.69Å; V43-V80 PolarHBondContact O-N 2.91Å; I44-V80 WeakPolarHBondContact CA-O 3.33Å; D45-V80 PolarHBondContact N-O 2.78Å; L78-V80 HydrophobicContact CD2-CG2 3.91Å; L78-V80 HydrophobicContact CG-CG2 3.92Å; V80-A99 WeakPolarHBondContact CA-O 3.42Å; V80-A99 HydrophobicContact CG1-CB 4.39Å; V80-A99 HydrophobicContact CG2-CB 4.15Å; V80-L149 HydrophobicContact CG1-CD1 3.88Å; V80-I155 HydrophobicContact CG1-CD1 4.33Å; V80-I155 HydrophobicContact CG2-CD1 3.74Å; V80-I175 HydrophobicContact CG1-CD1 4.11Å; V80-L177 HydrophobicContact CB-CD1 4.32Å; V80-L177 HydrophobicContact CG1-CD1 3.98Å
81A98.8Very high92.4Very high0 Ų032 Ų320%018%0.177CC..  trans-85124.6170.600000109.3H83 L92 A99 V100A81-H83 PolarHBondContact O-N 3.01Å; A81-L92 HydrophobicContact CB-CD1 3.62Å; A81-L92 HydrophobicContact CB-CD2 4.41Å; A81-A99 PolarHBondContact N-O 3.16Å; A81-V100 HydrophobicContact CB-CB 4.39Å; A81-V100 HydrophobicContact CB-CG2 4.09Å
82T98.8Very high94.1Very high1 Ų125.3 Ų25.31%0.00614%0.14CC..SBendtrans-67.4-30.1170.659.80000111.4I44 D45 S174 I175I44-T82 HydrophobicContact CG2-CG2 3.51Å; D45-T82 PolarHBondContact OD1-N 2.83Å; D45-T82 PolarHBondContact OD1-OG1 3.36Å; D45-T82 WeakPolarHBondContact OD2-CG2 3.38Å; D45-T82 PolarHBondContact OD2-OG1 3.05Å; T82-S174 CarbonylContact O-C 3.58Å; T82-S174 WeakPolarHBondContact O-CA 3.33Å; T82-I175 WeakPolarHBondContact O-CG1 3.39Å; T82-I175 PolarHBondContact O-N 3.23Å
83H98.7Very high95.6Very high1 Ų127 Ų271%0.00514%0.137CC..SBendtrans-169177.1171.463.1-59.8000109.2A81 H85 H88 H170 S171A81-H83 PolarHBondContact O-N 3.01Å; H83-H85 AromaticContact CD2-CD2 3.89Å; H83-H85 AromaticContact CD2-CE1 3.76Å; H83-H85 AromaticContact CD2-CG 3.3Å; H83-H85 AromaticContact CD2-ND1 3.22Å; H83-H85 PolarHBondContact CD2-ND1 3.29Å; H83-H85 WeakPolarHBondContact NE2-CB 3.42Å; H83-H85 AromaticContact NE2-CE1 3.92Å; H83-H85 AromaticContact NE2-CG 3.33Å; H83-H85 VanDerWaalsContact NE2-CG 3.33Å; H83-H85 AromaticContact NE2-ND1 3.03Å; H83-H85 PolarHBondContact NE2-ND1 3.17Å; H83-H88 AromaticContact CE1-CD2 3.24Å; H83-H88 PolarHBondContact CE1-CD2 3.17Å; H83-H88 AromaticContact CE1-CE1 3.69Å; H83-H88 AromaticContact CE1-CG 3.45Å; H83-H88 VanDerWaalsContact CE1-CG 3.45Å; H83-H88 AromaticContact CE1-ND1 3.71Å; H83-H88 AromaticContact CE1-NE2 3.41Å; H83-H88 PolarHBondContact CE1-NE2 3.39Å; H83-H88 AromaticContact NE2-CD2 3.62Å; H83-H88 AromaticContact NE2-NE2 3.93Å; H83-H170 AromaticContact CD2-CD2 3.75Å; H83-H170 AromaticContact CD2-NE2 3.87Å; H83-H170 AromaticContact NE2-CD2 3.65Å; H83-H170 AromaticContact NE2-NE2 3.42Å; H83-H170 PolarHBondContact NE2-NE2 2.9Å; H83-S171 VanDerWaalsContact CB-OG 3.32Å; H83-S171 WeakPolarHBondContact CB-OG 3.19Å
84V97.9Very high96.9Very high1 Ų124 Ų241%0.00611%0.105CC..  trans-92.34.9-170-61.60000116.1F86 S89 V100 E104 A107 L108 E115 T116V84-F86 PolarHBondContact O-N 3.4Å; V84-S89 WeakPolarHBondContact O-CB 3.15Å; V84-S89 PolarHBondContact O-OG 2.75Å; V84-V100 HydrophobicContact CG1-CG2 4.19Å; V84-E104 WeakPolarHBondContact CB-OE2 3.2Å; V84-E104 HydrophobicContact CG1-CB 3.67Å; V84-E104 HydrophobicContact CG1-CG 4.44Å; V84-E104 WeakPolarHBondContact CG1-OE2 3.34Å; V84-E104 WeakPolarHBondContact CG2-OE2 3.38Å; V84-E104 PolarHBondContact N-OE2 2.77Å; V84-A107 HydrophobicContact CG2-CB 4.14Å; V84-L108 HydrophobicContact CG1-CB 3.92Å; V84-E115 HydrophobicContact CG2-CG 4.25Å; V84-T116 HydrophobicContact CB-CG2 4.15Å; V84-T116 HydrophobicContact CG2-CG2 4.15Å; V84-T116 WeakPolarHBondContact O-CA 3.22Å; V84-T116 WeakPolarHBondContact O-CB 3.32Å; V84-T116 VanDerWaalsContact O-CG2 3.3Å; V84-T116 WeakPolarHBondContact O-CG2 3.27Å
85H98.4Very high97.8Very high7 Ų716.1 Ų16.13%0.0328%0.076CC..  trans-58.1144.6178.1-64.9163.7000111.9H83 D87 H88 S89 T116 V117 H170H83-H85 AromaticContact CD2-CD2 3.89Å; H83-H85 AromaticContact CD2-CE1 3.76Å; H83-H85 AromaticContact CD2-CG 3.3Å; H83-H85 AromaticContact CD2-ND1 3.22Å; H83-H85 PolarHBondContact CD2-ND1 3.29Å; H83-H85 WeakPolarHBondContact NE2-CB 3.42Å; H83-H85 AromaticContact NE2-CE1 3.92Å; H83-H85 AromaticContact NE2-CG 3.33Å; H83-H85 VanDerWaalsContact NE2-CG 3.33Å; H83-H85 AromaticContact NE2-ND1 3.03Å; H83-H85 PolarHBondContact NE2-ND1 3.17Å; H85-D87 VanDerWaalsContact C-N 3.25Å; H85-D87 PolarHBondContact O-N 2.92Å; H85-H88 WeakPolarHBondContact O-CA 3.29Å; H85-H88 WeakPolarHBondContact O-CB 3.25Å; H85-H88 PolarHBondContact O-N 3.08Å; H85-S89 PolarHBondContact O-N 3.1Å; H85-S89 PolarHBondContact O-OG 3.08Å; H85-S89 VanDerWaalsContact O-OG 3.08Å; H85-T116 CarbonylContact C-O 3.35Å; H85-T116 VanDerWaalsContact CA-O 3.32Å; H85-T116 WeakPolarHBondContact CA-O 3.47Å; H85-V117 WeakPolarHBondContact CD2-CG2 3.49Å; H85-V117 WeakPolarHBondContact NE2-CG2 3.27Å; H85-H170 AromaticContact CE1-CD2 3.6Å; H85-H170 AromaticContact CE1-CE1 3.71Å; H85-H170 AromaticContact CE1-NE2 3.01Å; H85-H170 PolarHBondContact CE1-NE2 3.02Å; H85-H170 AromaticContact ND1-CD2 3.79Å; H85-H170 AromaticContact ND1-CE1 3.83Å; H85-H170 AromaticContact ND1-NE2 2.96Å; H85-H170 PolarHBondContact ND1-NE2 2.95Å
86F98.1Very high98.2Very high6 Ų620.4 Ų20.43%0.02610%0.104CC..Hα-helixtrans-60.8-30.1-161.971.6-79.9000115.1L48 V84 H88 G90 T116 V117 T118 W119 L120 F138 V140L48-F86 HydrophobicContact CD2-CD2 3.54Å; L48-F86 HydrophobicContact CD2-CE2 3.57Å; V84-F86 PolarHBondContact O-N 3.4Å; F86-H88 VanDerWaalsContact C-N 3.28Å; F86-G90 VanDerWaalsContact O-CA 3.27Å; F86-G90 WeakPolarHBondContact O-CA 3.48Å; F86-G90 PolarHBondContact O-N 3.34Å; F86-T116 WeakPolarHBondContact CB-O 3.37Å; F86-T116 PolarHBondContact N-O 3.08Å; F86-V117 WeakPolarHBondContact CD1-O 3.37Å; F86-V117 VanDerWaalsContact CE1-O 3.32Å; F86-V117 WeakPolarHBondContact CE1-O 3.16Å; F86-T118 HydrophobicContact CB-CG2 4.47Å; F86-W119 WeakPolarHBondContact CE2-O 3.25Å; F86-W119 WeakPolarHBondContact CZ-O 3.31Å; F86-L120 HydrophobicContact CE2-CD1 4.43Å; F86-F138 HydrophobicContact CB-CE1 4.09Å; F86-F138 AromaticContact CD2-CE1 3.73Å; F86-F138 HydrophobicContact CD2-CE1 3.73Å; F86-F138 HydrophobicContact CD2-CZ 4.49Å; F86-F138 HydrophobicContact CG-CE1 4.32Å; F86-V140 HydrophobicContact CB-CG2 3.47Å; F86-V140 VanDerWaalsContact CB-CG2 3.47Å
87D98Very high98.4Very high8 Ų821.6 Ų21.64%0.04310%0.101CC..Hα-helixtrans-78.6-12.3177.153-32.5000112.8Y24 A30 G47 L48 H85 H231Y24-D87 HydrophobicContact CE1-CB 4.34Å; A30-D87 HydrophobicContact CB-CB 4.31Å; A30-D87 WeakPolarHBondContact CB-O 3.28Å; G47-D87 CarbonylContact C-O 3.57Å; G47-D87 WeakPolarHBondContact CA-O 3.27Å; G47-D87 PolarHBondContact N-O 3.11Å; L48-D87 HydrophobicContact CD2-CB 4.32Å; H85-D87 VanDerWaalsContact C-N 3.25Å; H85-D87 PolarHBondContact O-N 2.92Å; D87-H231 IonicContact OD2-CE1 2.96Å; D87-H231 PolarHBondContact OD2-CE1 3.01Å; D87-H231 IonicContact OD2-NE2 3.24Å; D87-H231 PolarHBondContact OD2-NE2 3.25Å
88H98.6Very high98.5Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-104-41172.7-61.2-95.7000111.7D45 T46 H83 H85 F86 D189 H231D45-H88 HydrophobicContact CB-CB 3.98Å; D45-H88 VanDerWaalsContact CG-ND1 3.34Å; D45-H88 IonicContact OD1-ND1 2.69Å; D45-H88 IonicContact OD2-CE1 2.96Å; D45-H88 IonicContact OD2-CG 3.65Å; D45-H88 IonicContact OD2-ND1 3.62Å; D45-H88 PolarHBondContact OD2-ND1 3.24Å; T46-H88 PolarHBondContact N-O 3.21Å; T46-H88 PolarHBondContact OG1-O 3.41Å; H83-H88 AromaticContact CE1-CD2 3.24Å; H83-H88 PolarHBondContact CE1-CD2 3.17Å; H83-H88 AromaticContact CE1-CE1 3.69Å; H83-H88 AromaticContact CE1-CG 3.45Å; H83-H88 VanDerWaalsContact CE1-CG 3.45Å; H83-H88 AromaticContact CE1-ND1 3.71Å; H83-H88 AromaticContact CE1-NE2 3.41Å; H83-H88 PolarHBondContact CE1-NE2 3.39Å; H83-H88 AromaticContact NE2-CD2 3.62Å; H83-H88 AromaticContact NE2-NE2 3.93Å; H85-H88 WeakPolarHBondContact O-CA 3.29Å; H85-H88 WeakPolarHBondContact O-CB 3.25Å; H85-H88 PolarHBondContact O-N 3.08Å; F86-H88 VanDerWaalsContact C-N 3.28Å; H88-D189 IonicContact CE1-OD1 2.82Å; H88-D189 PolarHBondContact CE1-OD1 3.18Å; H88-D189 VanDerWaalsContact CE1-OD1 3.29Å; H88-D189 IonicContact NE2-OD1 3.25Å; H88-D189 PolarHBondContact NE2-OD1 2.88Å; H88-D189 IonicContact NE2-OD2 3.95Å; H88-H231 AromaticContact CE1-NE2 3.83Å; H88-H231 AromaticContact NE2-CE1 3.8Å; H88-H231 AromaticContact NE2-NE2 3.28Å; H88-H231 PolarHBondContact NE2-NE2 3.49Å
89S98.4Very high98.5Very high2 Ų220 Ų201%0.0149%0.092CC..Hα-helixtrans-97-11.7-17171.30000114.5V84 H85 G91 L92V84-S89 WeakPolarHBondContact O-CB 3.15Å; V84-S89 PolarHBondContact O-OG 2.75Å; H85-S89 PolarHBondContact O-N 3.1Å; H85-S89 PolarHBondContact O-OG 3.08Å; H85-S89 VanDerWaalsContact O-OG 3.08Å; S89-G91 PolarHBondContact O-N 3.1Å; S89-G91 VanDerWaalsContact O-N 3.11Å; S89-L92 WeakPolarHBondContact O-CB 2.94Å; S89-L92 WeakPolarHBondContact O-CG 3.37Å; S89-L92 PolarHBondContact O-N 3.35Å
90G98.2Very high98.5Very high1 Ų120 Ų201%0.019%0.092CC..THydrogen-bonded Turntrans-59-29-170.400000114.5G47 L48 F86 Y93G47-G90 WeakPolarHBondContact O-CA 3.44Å; G47-G90 PolarHBondContact O-N 2.89Å; G47-G90 VanDerWaalsContact O-N 3.13Å; L48-G90 CarbonylContact O-C 3.55Å; F86-G90 VanDerWaalsContact O-CA 3.27Å; F86-G90 WeakPolarHBondContact O-CA 3.48Å; F86-G90 PolarHBondContact O-N 3.34Å; G90-Y93 WeakPolarHBondContact O-CD1 3.32Å; G90-Y93 WeakPolarHBondContact O-CE1 3.46Å
91G98.4Very high98.4Very high0 Ų020 Ų200%09%0.093CC..THydrogen-bonded Turntrans-92.6-3.2177.200000116T46 G47 G49 S89 Y93 Q94 F95T46-G91 VanDerWaalsContact OG1-CA 3.25Å; T46-G91 WeakPolarHBondContact OG1-CA 3.26Å; T46-G91 PolarHBondContact OG1-N 3.38Å; G47-G91 PolarHBondContact O-N 2.84Å; G49-G91 VanDerWaalsContact CA-CA 3.48Å; S89-G91 PolarHBondContact O-N 3.1Å; S89-G91 VanDerWaalsContact O-N 3.11Å; G91-Y93 VanDerWaalsContact C-N 3.26Å; G91-Y93 PolarHBondContact O-N 2.63Å; G91-Q94 VanDerWaalsContact O-CB 3.29Å; G91-Q94 WeakPolarHBondContact O-CB 3.33Å; G91-Q94 WeakPolarHBondContact O-CG 3.36Å; G91-Q94 PolarHBondContact O-N 3.47Å; G91-Q94 VanDerWaalsContact O-N 3.08Å; G91-F95 WeakPolarHBondContact O-CD2 3.49Å
92L98.7Very high98.4Very high0 Ų024.2 Ų24.20%011%0.112CC..G310 helixtrans-62.4-30.9-172.8-69169.7000113.4T46 A79 A81 S89 Q94 F95 V98 L108 V143T46-L92 HydrophobicContact CG2-CD2 3.67Å; T46-L92 HydrophobicContact CG2-CG 4.23Å; T46-L92 PolarHBondContact OG1-N 3.26Å; T46-L92 VanDerWaalsContact OG1-N 3.17Å; A79-L92 HydrophobicContact CB-CD2 3.84Å; A81-L92 HydrophobicContact CB-CD1 3.62Å; A81-L92 HydrophobicContact CB-CD2 4.41Å; S89-L92 WeakPolarHBondContact O-CB 2.94Å; S89-L92 WeakPolarHBondContact O-CG 3.37Å; S89-L92 PolarHBondContact O-N 3.35Å; L92-Q94 PolarHBondContact O-N 3.4Å; L92-F95 PolarHBondContact O-N 3.48Å; L92-F95 VanDerWaalsContact O-N 3.09Å; L92-V98 HydrophobicContact CB-CG1 4.39Å; L92-V98 HydrophobicContact CB-CG2 4.29Å; L92-V98 HydrophobicContact CD1-CG1 4.35Å; L92-V98 HydrophobicContact CD2-CG1 4.14Å; L92-V98 WeakPolarHBondContact O-CG2 3.29Å; L92-L108 HydrophobicContact CD1-CD1 3.88Å; L92-L108 HydrophobicContact CD1-CD2 3.73Å; L92-L108 HydrophobicContact CD1-CG 4.49Å; L92-V143 HydrophobicContact CB-CG1 4.01Å
93Y98.4Very high98.4Very high89 Ų8925.6 Ų25.635%0.34912%0.123SC..G310 helixtrans-60.2-14.1177.476.9-86.6000113.8G49 G90 G91 F95 Q141G49-Y93 PolarHBondContact O-OH 2.67Å; G90-Y93 WeakPolarHBondContact O-CD1 3.32Å; G90-Y93 WeakPolarHBondContact O-CE1 3.46Å; G91-Y93 VanDerWaalsContact C-N 3.26Å; G91-Y93 PolarHBondContact O-N 2.63Å; Y93-F95 VanDerWaalsContact C-N 3.33Å; Y93-Q141 HydrophobicContact CD1-CB 4.14Å; Y93-Q141 HydrophobicContact CD1-CG 4.36Å; Y93-Q141 VanDerWaalsContact CE2-NE2 3.3Å; Y93-Q141 HydrophobicContact CG-CB 4.03Å; Y93-Q141 HydrophobicContact CG-CG 4.43Å; Y93-Q141 VanDerWaalsContact CZ-NE2 3.27Å
94Q98.4Very high98.4Very high38 Ų3825.7 Ų25.718%0.17812%0.124CC..G310 helixtrans-85.1-6.3-179.9-54.9175.6-4.500113G49 R51 P54 G91 L92G49-Q94 PolarHBondContact O-NE2 3.12Å; R51-Q94 PolarHBondContact O-NE2 3.04Å; R51-Q94 PolarHBondContact O-OE1 2.86Å; P54-Q94 VanDerWaalsContact CD-OE1 3.31Å; P54-Q94 HydrophobicContact CG-CB 3.93Å; P54-Q94 WeakPolarHBondContact CG-O 3.47Å; G91-Q94 VanDerWaalsContact O-CB 3.29Å; G91-Q94 WeakPolarHBondContact O-CB 3.33Å; G91-Q94 WeakPolarHBondContact O-CG 3.36Å; G91-Q94 PolarHBondContact O-N 3.47Å; G91-Q94 VanDerWaalsContact O-N 3.08Å; L92-Q94 PolarHBondContact O-N 3.4Å
95F98.5Very high98.4Very high17 Ų1726.4 Ų26.48%0.07513%0.13CC..  trans-112.9137.8-172.7-65.8-95.9000111.9V43 T46 L53 P54 L57 L77 A79 G91 L92 Y93 R97 V98V43-F95 HydrophobicContact CG1-CD1 4.24Å; V43-F95 HydrophobicContact CG1-CE1 3.57Å; V43-F95 HydrophobicContact CG1-CZ 3.78Å; T46-F95 HydrophobicContact CG2-CD2 4.16Å; T46-F95 HydrophobicContact CG2-CE2 3.58Å; T46-F95 HydrophobicContact CG2-CZ 4.19Å; L53-F95 HydrophobicContact CB-CE2 4.42Å; L53-F95 HydrophobicContact CB-CZ 4.14Å; L53-F95 HydrophobicContact CD2-CE2 4.28Å; L53-F95 HydrophobicContact CD2-CZ 3.86Å; L53-F95 HydrophobicContact CG-CZ 3.99Å; P54-F95 HydrophobicContact CG-CD1 4.07Å; P54-F95 HydrophobicContact CG-CD2 4.33Å; P54-F95 HydrophobicContact CG-CE1 3.77Å; P54-F95 HydrophobicContact CG-CE2 4.05Å; P54-F95 HydrophobicContact CG-CG 4.34Å; P54-F95 HydrophobicContact CG-CZ 3.76Å; L57-F95 HydrophobicContact CD1-CE1 4.42Å; L77-F95 HydrophobicContact CD2-CD1 4.11Å; L77-F95 HydrophobicContact CD2-CE1 3.75Å; L77-F95 HydrophobicContact CG-CD1 4.4Å; L77-F95 HydrophobicContact CG-CE1 4.31Å; A79-F95 HydrophobicContact CB-CB 3.85Å; A79-F95 HydrophobicContact CB-CD1 3.77Å; A79-F95 HydrophobicContact CB-CD2 3.84Å; A79-F95 HydrophobicContact CB-CE1 4.26Å; A79-F95 HydrophobicContact CB-CE2 4.34Å; A79-F95 HydrophobicContact CB-CG 3.54Å; G91-F95 WeakPolarHBondContact O-CD2 3.49Å; L92-F95 PolarHBondContact O-N 3.48Å; L92-F95 VanDerWaalsContact O-N 3.09Å; Y93-F95 VanDerWaalsContact C-N 3.33Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.19Å; F95-V98 HydrophobicContact CB-CG2 4.1Å
96D97.4Very high98.3Very high160 Ų16031.7 Ų31.786%0.85615%0.154SC*.SBendtrans-70.7-28.1176.7-61.9-40.5000112.7T146D96-T146 VanDerWaalsContact O-CG2 3.31Å; D96-T146 WeakPolarHBondContact O-CG2 3.42Å
97R98.5Very high98.3Very high87 Ų8731.5 Ų31.533%0.32815%0.154SC..SBendtrans-123113.1-179.8-64.6178.367.7-155.2-1.1109.7Q40 L78 A79 F95 T146Q40-R97 VanDerWaalsContact OE1-CZ 3.25Å; L78-R97 HydrophobicContact CD1-CB 3.86Å; A79-R97 PolarHBondContact N-O 3.44Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.19Å; R97-T146 WeakPolarHBondContact CA-OG1 3.4Å
98V98.8Very high98.3Very high1 Ų131.1 Ų31.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-121.1134.2179.91740000109.6A79 L92 F95 L108 V143 T146 L147A79-V98 CarbonylContact O-C 3.21Å; A79-V98 VanDerWaalsContact O-CA 3.31Å; A79-V98 WeakPolarHBondContact O-CA 3.46Å; L92-V98 HydrophobicContact CB-CG1 4.39Å; L92-V98 HydrophobicContact CB-CG2 4.29Å; L92-V98 HydrophobicContact CD1-CG1 4.35Å; L92-V98 HydrophobicContact CD2-CG1 4.14Å; L92-V98 WeakPolarHBondContact O-CG2 3.29Å; F95-V98 HydrophobicContact CB-CG2 4.1Å; V98-L108 HydrophobicContact CG1-CD2 4.11Å; V98-V143 HydrophobicContact CG2-CG2 4.05Å; V98-T146 PolarHBondContact N-OG1 3.05Å; V98-T146 PolarHBondContact O-N 3.17Å; V98-T146 PolarHBondContact O-OG1 3.28Å; V98-L147 PolarHBondContact O-N 3.19Å
99A98.8Very high98.2Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-120.7141.117200000111.1L78 A79 V80 A81 L147 L149L78-A99 HydrophobicContact CD1-CB 4.04Å; L78-A99 HydrophobicContact CD2-CB 4.31Å; L78-A99 HydrophobicContact CG-CB 4.36Å; A79-A99 PolarHBondContact O-N 3.45Å; V80-A99 WeakPolarHBondContact CA-O 3.42Å; V80-A99 HydrophobicContact CG1-CB 4.39Å; V80-A99 HydrophobicContact CG2-CB 4.15Å; A81-A99 PolarHBondContact N-O 3.16Å; A99-L147 VanDerWaalsContact CA-O 3.28Å; A99-L147 WeakPolarHBondContact CA-O 3.32Å; A99-L147 HydrophobicContact CB-CB 3.92Å; A99-L147 HydrophobicContact CB-CD2 4.07Å; A99-L147 HydrophobicContact CB-CG 4.22Å; A99-L149 HydrophobicContact CB-CD1 3.88Å; A99-L149 HydrophobicContact CB-CD2 4.31Å; A99-L149 HydrophobicContact CB-CG 4.05Å
100V98.8Very high98.2Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-152.2154.1176.670.10000109.3A81 V84 E104 A105 L108 P145 L147 L149A81-V100 HydrophobicContact CB-CB 4.39Å; A81-V100 HydrophobicContact CB-CG2 4.09Å; V84-V100 HydrophobicContact CG1-CG2 4.19Å; V100-E104 HydrophobicContact CG2-CB 3.75Å; V100-A105 HydrophobicContact CG1-CB 3.97Å; V100-L108 HydrophobicContact CB-CD2 4.13Å; V100-L108 HydrophobicContact CG1-CD2 4.11Å; V100-L108 HydrophobicContact CG2-CD2 4.34Å; V100-P145 HydrophobicContact CG1-CB 3.71Å; V100-P145 HydrophobicContact CG1-CG 3.48Å; V100-P145 VanDerWaalsContact CG1-CG 3.48Å; V100-L147 PolarHBondContact N-O 3.21Å; V100-L149 PolarHBondContact O-N 2.81Å
101H98.8Very high98Very high2 Ų240.4 Ų40.41%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-62.6143.6172.8-171.6-103.6000112.1A103 E104 A105 L149 H166 G173 I175H101-A103 WeakPolarHBondContact ND1-CB 3.19Å; H101-A103 PolarHBondContact ND1-N 2.88Å; H101-A103 PolarHBondContact O-N 3.49Å; H101-A103 VanDerWaalsContact O-N 3.09Å; H101-E104 PolarHBondContact O-N 3Å; H101-A105 PolarHBondContact O-N 2.94Å; H101-L149 WeakPolarHBondContact CA-O 3.1Å; H101-L149 PolarHBondContact CD2-O 2.7Å; H101-H166 AromaticContact CE1-CD2 3.37Å; H101-H166 PolarHBondContact CE1-CD2 3.42Å; H101-H166 AromaticContact CE1-CE1 3.74Å; H101-H166 AromaticContact CE1-CG 3.62Å; H101-H166 AromaticContact CE1-ND1 3.85Å; H101-H166 AromaticContact CE1-NE2 3.46Å; H101-H166 PolarHBondContact CE1-NE2 2.78Å; H101-H166 AromaticContact ND1-CD2 3.88Å; H101-H166 AromaticContact NE2-CD2 3.6Å; H101-H166 AromaticContact NE2-CG 3.47Å; H101-H166 AromaticContact NE2-ND1 3.93Å; H101-G173 WeakPolarHBondContact CB-O 3.28Å; H101-G173 VanDerWaalsContact ND1-CA 3.3Å; H101-G173 WeakPolarHBondContact ND1-CA 3.35Å; H101-I175 HydrophobicContact CB-CG2 3.78Å
102H98.6Very high97.9Very high88 Ų8843 Ų4341%0.40721%0.208SC..THydrogen-bonded Turntrans-54.8-34.3-175.777.3-83.1000114.1E104 A105 I148 L149 Q150H102-E104 PolarHBondContact O-N 2.98Å; H102-E104 VanDerWaalsContact O-N 3.17Å; H102-A105 PolarHBondContact O-N 3.09Å; H102-I148 HydrophobicContact CB-CG2 3.45Å; H102-I148 VanDerWaalsContact CB-CG2 3.45Å; H102-L149 PolarHBondContact N-O 2.67Å; H102-Q150 PolarHBondContact CE1-OE1 3.03Å; H102-Q150 VanDerWaalsContact CE1-OE1 3.24Å; H102-Q150 PolarHBondContact ND1-NE2 3.03Å; H102-Q150 PolarHBondContact ND1-OE1 2.82Å
103A98.3Very high97.7Very high30 Ų3044 Ų4425%0.24821%0.214CC..THydrogen-bonded Turntrans-68.7-11.4-178.300000114.1H101 R172H101-A103 WeakPolarHBondContact ND1-CB 3.19Å; H101-A103 PolarHBondContact ND1-N 2.88Å; H101-A103 PolarHBondContact O-N 3.49Å; H101-A103 VanDerWaalsContact O-N 3.09Å; A103-R172 HydrophobicContact CB-CB 4.19Å
104E97.8Very high97.6Very high3 Ų341.4 Ų41.41%0.01420%0.204CC..THydrogen-bonded Turntrans-118.2-11.3-174.2-63.9-84.8140.200111.7V84 V100 H101 H102 E106 A107 L108 S171 R172 G173V84-E104 WeakPolarHBondContact CB-OE2 3.2Å; V84-E104 HydrophobicContact CG1-CB 3.67Å; V84-E104 HydrophobicContact CG1-CG 4.44Å; V84-E104 WeakPolarHBondContact CG1-OE2 3.34Å; V84-E104 WeakPolarHBondContact CG2-OE2 3.38Å; V84-E104 PolarHBondContact N-OE2 2.77Å; V100-E104 HydrophobicContact CG2-CB 3.75Å; H101-E104 PolarHBondContact O-N 3Å; H102-E104 PolarHBondContact O-N 2.98Å; H102-E104 VanDerWaalsContact O-N 3.17Å; E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 2.79Å; E104-A107 PolarHBondContact O-N 2.86Å; E104-L108 PolarHBondContact O-N 2.8Å; E104-L108 VanDerWaalsContact O-N 3.16Å; E104-S171 WeakPolarHBondContact OE1-CB 3.36Å; E104-S171 PolarHBondContact OE1-OG 2.87Å; E104-R172 PolarHBondContact OE1-N 2.86Å; E104-G173 VanDerWaalsContact CG-CA 3.42Å; E104-G173 PolarHBondContact OE1-N 3.01Å
105A98Very high97.5Very high15 Ų1540.7 Ų40.712%0.12420%0.2CC..Hα-helixtrans-60.2-38.5-173.100000113.2V100 H101 H102 A109 P145 I148V100-A105 HydrophobicContact CG1-CB 3.97Å; H101-A105 PolarHBondContact O-N 2.94Å; H102-A105 PolarHBondContact O-N 3.09Å; A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.08Å; A105-P145 HydrophobicContact CB-CG 4.32Å; A105-I148 HydrophobicContact CB-CD1 3.6Å
106E97.9Very high97.3Very high118 Ų11839.9 Ų39.955%0.55120%0.197SC*.Hα-helixtrans-67.2-42.7-180-173.9176.4-174.700112E104 L108 A109 R110E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 2.79Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-A109 PolarHBondContact O-N 3.26Å; E106-R110 WeakPolarHBondContact O-CB 3.45Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.88Å; E106-R110 VanDerWaalsContact O-N 3.09Å; E106-R110 IonicContact OE1-CZ 3.37Å; E106-R110 IonicContact OE1-NE 3.11Å; E106-R110 IonicContact OE1-NH1 2.91Å; E106-R110 PolarHBondContact OE1-NH1 2.88Å; E106-R110 IonicContact OE1-NH2 3.96Å; E106-R110 PolarHBondContact OE1-NH2 3.44Å
107A96.8Very high97.3Very high3 Ų332.6 Ų32.63%0.02516%0.159CC..Hα-helixtrans-61.2-45.5177.200000111.1V84 E104 R110 G111 D112 E115V84-A107 HydrophobicContact CG2-CB 4.14Å; E104-A107 PolarHBondContact O-N 2.86Å; A107-R110 PolarHBondContact O-N 3.35Å; A107-G111 PolarHBondContact O-N 3.38Å; A107-D112 HydrophobicContact CB-CB 4.41Å; A107-D112 PolarHBondContact O-N 3.07Å; A107-E115 HydrophobicContact CB-CB 3.91Å; A107-E115 HydrophobicContact CB-CG 3.63Å
108L97.5Very high97.1Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-66.1-44.4178-17359.1000112.3V84 L92 V98 V100 E104 E106 R110 G111 A142 V143 P145V84-L108 HydrophobicContact CG1-CB 3.92Å; L92-L108 HydrophobicContact CD1-CD1 3.88Å; L92-L108 HydrophobicContact CD1-CD2 3.73Å; L92-L108 HydrophobicContact CD1-CG 4.49Å; V98-L108 HydrophobicContact CG1-CD2 4.11Å; V100-L108 HydrophobicContact CB-CD2 4.13Å; V100-L108 HydrophobicContact CG1-CD2 4.11Å; V100-L108 HydrophobicContact CG2-CD2 4.34Å; E104-L108 PolarHBondContact O-N 2.8Å; E104-L108 VanDerWaalsContact O-N 3.16Å; E106-L108 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 2.88Å; L108-G111 PolarHBondContact O-N 3.27Å; L108-G111 VanDerWaalsContact O-N 3.12Å; L108-A142 WeakPolarHBondContact O-CA 3.47Å; L108-V143 CarbonylContact C-O 3.43Å; L108-V143 HydrophobicContact CD1-CG1 3.49Å; L108-V143 VanDerWaalsContact CD1-CG1 3.49Å; L108-V143 HydrophobicContact CD2-CG1 3.81Å; L108-V143 HydrophobicContact CG-CG1 3.45Å; L108-V143 VanDerWaalsContact CG-CG1 3.45Å; L108-V143 PolarHBondContact O-N 2.88Å; L108-V143 VanDerWaalsContact O-N 3.15Å; L108-P145 HydrophobicContact CD2-CG 4.18Å
109A98.1Very high96.7Very high21 Ų2134.3 Ų34.317%0.17417%0.166CC..Hα-helixtrans-61.4-27.3178.200000113.4A105 E106 A142 V143 Q144A105-A109 WeakPolarHBondContact O-CB 3.42Å; A105-A109 PolarHBondContact O-N 3.08Å; E106-A109 PolarHBondContact O-N 3.26Å; A109-A142 WeakPolarHBondContact O-CB 3.48Å; A109-V143 VanDerWaalsContact CA-O 3.31Å; A109-V143 WeakPolarHBondContact CA-O 3.5Å; A109-V143 PolarHBondContact N-O 2.67Å; A109-Q144 PolarHBondContact O-NE2 2.87Å
110R97.3Very high96.4Very high166 Ų16635.3 Ų35.363%0.62617%0.17SC*.Hα-helixtrans-95.1-13.9177-70.5-177.7176.2152.411.7113.9E106 A107 L108 D112E106-R110 WeakPolarHBondContact O-CB 3.45Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.88Å; E106-R110 VanDerWaalsContact O-N 3.09Å; E106-R110 IonicContact OE1-CZ 3.37Å; E106-R110 IonicContact OE1-NE 3.11Å; E106-R110 IonicContact OE1-NH1 2.91Å; E106-R110 PolarHBondContact OE1-NH1 2.88Å; E106-R110 IonicContact OE1-NH2 3.96Å; E106-R110 PolarHBondContact OE1-NH2 3.44Å; A107-R110 PolarHBondContact O-N 3.35Å; L108-R110 PolarHBondContact O-N 2.88Å; R110-D112 VanDerWaalsContact C-N 3.29Å
111G94.9Very high96.2Very high10 Ų1037.5 Ų37.510%0.10319%0.186CC..THydrogen-bonded Turntrans57.246.3-165.100000110.7A107 L108 N113A107-G111 PolarHBondContact O-N 3.38Å; L108-G111 PolarHBondContact O-N 3.27Å; L108-G111 VanDerWaalsContact O-N 3.12Å; G111-N113 PolarHBondContact O-N 3.27Å; G111-N113 PolarHBondContact O-ND2 3.41Å
112D96Very high95.9Very high54 Ų5440.2 Ų40.229%0.28920%0.2SC..  trans-69.194.7-179.7-172.5-26.4000110.1A107 R110 F114 E115 T116A107-D112 HydrophobicContact CB-CB 4.41Å; A107-D112 PolarHBondContact O-N 3.07Å; R110-D112 VanDerWaalsContact C-N 3.29Å; D112-F114 PolarHBondContact O-N 2.84Å; D112-F114 VanDerWaalsContact O-N 3.07Å; D112-F114 VanDerWaalsContact OD1-CB 3.32Å; D112-F114 WeakPolarHBondContact OD1-CB 3.43Å; D112-F114 PolarHBondContact OD1-N 3.23Å; D112-E115 HydrophobicContact CB-CB 4.21Å; D112-E115 PolarHBondContact O-N 2.93Å; D112-E115 PolarHBondContact OD1-N 2.94Å; D112-T116 VanDerWaalsContact O-CG2 3.31Å; D112-T116 WeakPolarHBondContact O-CG2 3.43Å; D112-T116 PolarHBondContact O-N 3.32Å; D112-T116 PolarHBondContact O-OG1 3.38Å
113N95.1Very high95.7Very high23 Ų2340.5 Ų40.512%0.12321%0.213CC..THydrogen-bonded Turntrans-68.5-8.3-174.6-80.2-97.4000114.2G111 T116 T118 R139 V140 N274G111-N113 PolarHBondContact O-N 3.27Å; G111-N113 PolarHBondContact O-ND2 3.41Å; N113-T116 VanDerWaalsContact CA-OG1 3.31Å; N113-T116 WeakPolarHBondContact CA-OG1 3.38Å; N113-T118 WeakPolarHBondContact O-CB 3.43Å; N113-T118 PolarHBondContact O-N 3.27Å; N113-T118 VanDerWaalsContact OD1-CB 3.22Å; N113-T118 WeakPolarHBondContact OD1-CB 3.49Å; N113-T118 WeakPolarHBondContact OD1-CG2 3.43Å; N113-T118 PolarHBondContact OD1-OG1 3.38Å; N113-R139 VanDerWaalsContact OD1-CA 3.25Å; N113-R139 WeakPolarHBondContact OD1-CA 3.35Å; N113-R139 VanDerWaalsContact OD1-CD 3.27Å; N113-R139 WeakPolarHBondContact OD1-CD 3.1Å; N113-V140 PolarHBondContact ND2-O 3.43Å; N113-V140 PolarHBondContact OD1-N 3.04Å; N113-N274 PolarHBondContact O-ND2 3.24Å
114F95.5Very high95.6Very high33 Ų3340.6 Ų40.615%0.14521%0.208CC..THydrogen-bonded Turntrans-81.6-45.7168.6179.3-93.5000111.3D112 V117 P201 Y202 L270 R271D112-F114 PolarHBondContact O-N 2.84Å; D112-F114 VanDerWaalsContact O-N 3.07Å; D112-F114 VanDerWaalsContact OD1-CB 3.32Å; D112-F114 WeakPolarHBondContact OD1-CB 3.43Å; D112-F114 PolarHBondContact OD1-N 3.23Å; F114-V117 PolarHBondContact O-N 3.13Å; F114-P201 HydrophobicContact CD1-CB 4.46Å; F114-P201 HydrophobicContact CE1-CB 3.75Å; F114-P201 HydrophobicContact CE1-CG 4.08Å; F114-P201 HydrophobicContact CE2-CG 4.36Å; F114-P201 HydrophobicContact CZ-CB 3.99Å; F114-P201 HydrophobicContact CZ-CG 3.86Å; F114-Y202 HydrophobicContact CD1-CE2 4.04Å; F114-Y202 HydrophobicContact CE1-CE2 4.02Å; F114-L270 HydrophobicContact CD2-CB 3.89Å; F114-L270 HydrophobicContact CE2-CB 4.09Å; F114-R271 HydrophobicContact CD2-CG 4.02Å; F114-R271 HydrophobicContact CE2-CG 3.92Å
115E95.3Very high95.5Very high23 Ų2340.9 Ų40.911%0.10721%0.21CC..THydrogen-bonded Turntrans-75.7-32.4179-172.4154-172.400112.8V84 A107 D112 V117 Y202V84-E115 HydrophobicContact CG2-CG 4.25Å; A107-E115 HydrophobicContact CB-CB 3.91Å; A107-E115 HydrophobicContact CB-CG 3.63Å; D112-E115 HydrophobicContact CB-CB 4.21Å; D112-E115 PolarHBondContact O-N 2.93Å; D112-E115 PolarHBondContact OD1-N 2.94Å; E115-V117 PolarHBondContact O-N 3Å; E115-Y202 HydrophobicContact CB-CD2 4.16Å; E115-Y202 HydrophobicContact CB-CE2 3.61Å; E115-Y202 HydrophobicContact CG-CD2 3.62Å; E115-Y202 HydrophobicContact CG-CE2 3.51Å
116T95.9Very high95.3Very high0 Ų043.8 Ų43.80%023%0.226CC..THydrogen-bonded Turntrans-74.72.8169.269.80000112.3V84 H85 F86 D112 N113 T118 V140V84-T116 HydrophobicContact CB-CG2 4.15Å; V84-T116 HydrophobicContact CG2-CG2 4.15Å; V84-T116 WeakPolarHBondContact O-CA 3.22Å; V84-T116 WeakPolarHBondContact O-CB 3.32Å; V84-T116 VanDerWaalsContact O-CG2 3.3Å; V84-T116 WeakPolarHBondContact O-CG2 3.27Å; H85-T116 CarbonylContact C-O 3.35Å; H85-T116 VanDerWaalsContact CA-O 3.32Å; H85-T116 WeakPolarHBondContact CA-O 3.47Å; F86-T116 WeakPolarHBondContact CB-O 3.37Å; F86-T116 PolarHBondContact N-O 3.08Å; D112-T116 VanDerWaalsContact O-CG2 3.31Å; D112-T116 WeakPolarHBondContact O-CG2 3.43Å; D112-T116 PolarHBondContact O-N 3.32Å; D112-T116 PolarHBondContact O-OG1 3.38Å; N113-T116 VanDerWaalsContact CA-OG1 3.31Å; N113-T116 WeakPolarHBondContact CA-OG1 3.38Å; T116-T118 PolarHBondContact O-N 3.28Å; T116-T118 VanDerWaalsContact O-N 3.16Å; T116-T118 PolarHBondContact OG1-OG1 3.02Å; T116-V140 HydrophobicContact CG2-CB 4.05Å; T116-V140 HydrophobicContact CG2-CG1 3.98Å; T116-V140 HydrophobicContact CG2-CG2 4.18Å
117V95.9Very high95.1Very high8 Ų842.1 Ų42.15%0.04821%0.214CC..THydrogen-bonded Turntrans53.140.7177.2-172.30000111.3H85 F86 F114 E115 W119 L200 P201 L270H85-V117 WeakPolarHBondContact CD2-CG2 3.49Å; H85-V117 WeakPolarHBondContact NE2-CG2 3.27Å; F86-V117 WeakPolarHBondContact CD1-O 3.37Å; F86-V117 VanDerWaalsContact CE1-O 3.32Å; F86-V117 WeakPolarHBondContact CE1-O 3.16Å; F114-V117 PolarHBondContact O-N 3.13Å; E115-V117 PolarHBondContact O-N 3Å; V117-W119 PolarHBondContact O-N 3.49Å; V117-L200 HydrophobicContact CG1-CD1 4.28Å; V117-L200 HydrophobicContact CG1-CD2 3.71Å; V117-P201 HydrophobicContact CG2-CG 4.48Å; V117-L270 HydrophobicContact CG1-CD1 4.14Å; V117-L270 HydrophobicContact CG1-CD2 4.31Å
118T94Very high94.9Very high5 Ų544.5 Ų44.53%0.03123%0.234CC..  trans-65.9104.6-173.1-59.40000111F86 N113 T116 F138 N274F86-T118 HydrophobicContact CB-CG2 4.47Å; N113-T118 WeakPolarHBondContact O-CB 3.43Å; N113-T118 PolarHBondContact O-N 3.27Å; N113-T118 VanDerWaalsContact OD1-CB 3.22Å; N113-T118 WeakPolarHBondContact OD1-CB 3.49Å; N113-T118 WeakPolarHBondContact OD1-CG2 3.43Å; N113-T118 PolarHBondContact OD1-OG1 3.38Å; T116-T118 PolarHBondContact O-N 3.28Å; T116-T118 VanDerWaalsContact O-N 3.16Å; T116-T118 PolarHBondContact OG1-OG1 3.02Å; T118-F138 HydrophobicContact CG2-CD1 3.74Å; T118-F138 HydrophobicContact CG2-CE1 3.99Å; T118-N274 PolarHBondContact O-ND2 3.5Å
119W90.6Very high94.7Very high119 Ų11944.7 Ų44.745%0.45124%0.236SC..  trans-142.4102.2-179.5-171.6-15.7000109.1F86 V117 L270F86-W119 WeakPolarHBondContact CE2-O 3.25Å; F86-W119 WeakPolarHBondContact CZ-O 3.31Å; V117-W119 PolarHBondContact O-N 3.49Å; W119-L270 HydrophobicContact CB-CD2 4.26Å
120L94.2Very high94.3Very high20 Ų2046.4 Ų46.411%0.10525%0.246CC..  trans-129.6138.5177.6-171.565.8000110.2Y24 L48 F86 E124 V125 W133 A135 F138Y24-L120 HydrophobicContact CD2-CD1 4.28Å; Y24-L120 HydrophobicContact CE2-CD1 3.67Å; L48-L120 HydrophobicContact CD1-CD1 4.06Å; L48-L120 HydrophobicContact CD1-CD2 4.32Å; L48-L120 HydrophobicContact CD2-CD1 4.34Å; F86-L120 HydrophobicContact CE2-CD1 4.43Å; L120-E124 HydrophobicContact CD1-CB 4.38Å; L120-V125 HydrophobicContact CD1-CG2 4.13Å; L120-V125 HydrophobicContact CD2-CG2 4.18Å; L120-V125 HydrophobicContact CG-CG2 4.39Å; L120-W133 HydrophobicContact CD2-CH2 3.68Å; L120-W133 HydrophobicContact CD2-CZ2 3.7Å; L120-W133 HydrophobicContact CG-CH2 4.46Å; L120-A135 HydrophobicContact CB-CB 4.19Å; L120-A135 HydrophobicContact CD2-CB 4.17Å; L120-A135 HydrophobicContact CG-CB 3.88Å; L120-A135 WeakPolarHBondContact O-CB 3.22Å; L120-F138 HydrophobicContact CB-CD1 4.15Å; L120-F138 HydrophobicContact CD2-CB 3.8Å; L120-F138 HydrophobicContact CD2-CD1 3.86Å; L120-F138 HydrophobicContact CD2-CD2 4.35Å; L120-F138 HydrophobicContact CD2-CG 3.71Å
121S93.2Very high94.1Very high47 Ų4745 Ų4533%0.32926%0.259SS..  trans-106.8147.4174.2-179.30000111.8S123 E124S121-S123 PolarHBondContact O-N 3.01Å; S121-S123 PolarHBondContact OG-N 3.26Å; S121-S123 PolarHBondContact OG-OG 3.43Å; S121-E124 VanDerWaalsContact CB-OE2 3.24Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.47Å; S121-E124 PolarHBondContact O-N 3.37Å; S121-E124 VanDerWaalsContact O-N 3.1Å
122D93.3Very high94Very high58 Ų5847.8 Ų47.831%0.3129%0.287SS..G310 helixtrans-58.7-29.1172.5-72.7-47.5000111.2E124 V125 R134 A135D122-E124 VanDerWaalsContact C-N 3.28Å; D122-E124 PolarHBondContact O-N 2.93Å; D122-V125 PolarHBondContact O-N 3.32Å; D122-R134 VanDerWaalsContact OD1-CA 3.29Å; D122-R134 WeakPolarHBondContact OD1-CA 3.33Å; D122-R134 IonicContact OD1-NE 3.26Å; D122-R134 PolarHBondContact OD1-NE 3.27Å; D122-R134 IonicContact OD2-CZ 3.27Å; D122-R134 IonicContact OD2-NE 3.42Å; D122-R134 PolarHBondContact OD2-NE 3.06Å; D122-R134 IonicContact OD2-NH2 3.37Å; D122-R134 PolarHBondContact OD2-NH2 2.86Å; D122-A135 VanDerWaalsContact N-CB 3.28Å; D122-A135 PolarHBondContact OD1-N 3.26Å
123S94.6Very high93.9Very high95 Ų9546.9 Ų46.966%0.66428%0.28SS*.G310 helixtrans-70.9-20.7179.160.70000114S121S121-S123 PolarHBondContact O-N 3.01Å; S121-S123 PolarHBondContact OG-N 3.26Å; S121-S123 PolarHBondContact OG-OG 3.43Å
124E95.8Very high93.9Very high31 Ų3150.9 Ų50.915%0.14529%0.293CS..G310 helixtrans-87.4-18.4-178.3-65.7171.9112.900111.9Y24 E25 S26 L120 S121 D122Y24-E124 CarbonylContact C-O 3.51Å; Y24-E124 WeakPolarHBondContact CA-O 3.38Å; Y24-E124 HydrophobicContact CD2-CB 4.13Å; Y24-E124 HydrophobicContact CE2-CB 3.93Å; E25-E124 PolarHBondContact N-O 3.3Å; S26-E124 VanDerWaalsContact CB-OE1 3.25Å; S26-E124 WeakPolarHBondContact CB-OE1 3.32Å; S26-E124 PolarHBondContact OG-OE1 2.76Å; L120-E124 HydrophobicContact CD1-CB 4.38Å; S121-E124 VanDerWaalsContact CB-OE2 3.24Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.47Å; S121-E124 PolarHBondContact O-N 3.37Å; S121-E124 VanDerWaalsContact O-N 3.1Å; D122-E124 VanDerWaalsContact C-N 3.28Å; D122-E124 PolarHBondContact O-N 2.93Å
125V95.7Very high93.8Very high9 Ų949.5 Ų49.56%0.05529%0.288CS..BIsolated β-bridgetrans-105.586.4177.3-177.70000109.4W6 F23 L48 L50 L120 D122 R127 W133W6-V125 HydrophobicContact CH2-CG1 3.93Å; F23-V125 CarbonylContact O-C 3.37Å; F23-V125 VanDerWaalsContact O-CA 3.31Å; F23-V125 WeakPolarHBondContact O-CA 3.31Å; L48-V125 HydrophobicContact CD1-CG2 4.48Å; L50-V125 HydrophobicContact CD1-CG1 4.3Å; L50-V125 HydrophobicContact CD1-CG2 4.1Å; L120-V125 HydrophobicContact CD1-CG2 4.13Å; L120-V125 HydrophobicContact CD2-CG2 4.18Å; L120-V125 HydrophobicContact CG-CG2 4.39Å; D122-V125 PolarHBondContact O-N 3.32Å; V125-R127 PolarHBondContact O-N 2.89Å; V125-R127 VanDerWaalsContact O-N 3.12Å; V125-W133 HydrophobicContact CB-CH2 3.77Å; V125-W133 HydrophobicContact CB-CZ3 3.68Å; V125-W133 HydrophobicContact CG1-CE3 4.49Å; V125-W133 HydrophobicContact CG1-CH2 4.07Å; V125-W133 HydrophobicContact CG1-CZ3 3.88Å; V125-W133 HydrophobicContact CG2-CH2 3.51Å; V125-W133 HydrophobicContact CG2-CZ2 4.39Å; V125-W133 HydrophobicContact CG2-CZ3 4Å
126V94.5Very high93.6Very high76 Ų7656 Ų5646%0.46131%0.311SS..SBendtrans-68.2-14.1-171.3-61.30000113.8F23 E25F23-V126 HydrophobicContact CB-CG2 4.13Å; F23-V126 HydrophobicContact CD1-CG2 4.19Å; F23-V126 PolarHBondContact O-N 3.26Å; E25-V126 HydrophobicContact CB-CG1 4.01Å; E25-V126 HydrophobicContact CG-CG1 4.04Å; E25-V126 HydrophobicContact CG-CG2 4.06Å
127R93.9Very high93.4Very high83 Ų8361.3 Ų61.331%0.31334%0.336SS..SBendtrans-138.8112.7173.8-152.5172.963.81472.2110M1 E5 W6 F23 V125M1-R127 HydrophobicContact CE-CB 3.86Å; M1-R127 HydrophobicContact CE-CG 3.46Å; M1-R127 VanDerWaalsContact CE-CG 3.46Å; M1-R127 PolarHBondContact SD-NE 3.25Å; M1-R127 VanDerWaalsContact SD-NE 3.41Å; M1-R127 PolarHBondContact SD-NH2 2.91Å; E5-R127 IonicContact OE1-CZ 2.8Å; E5-R127 IonicContact OE1-NH1 2.76Å; E5-R127 PolarHBondContact OE1-NH1 3.19Å; E5-R127 IonicContact OE1-NH2 3.99Å; E5-R127 PolarHBondContact OE1-NH2 2.86Å; W6-R127 WeakPolarHBondContact CZ3-O 3.5Å; F23-R127 HydrophobicContact CB-CB 3.86Å; F23-R127 HydrophobicContact CD1-CB 3.52Å; F23-R127 HydrophobicContact CD1-CG 4.38Å; F23-R127 HydrophobicContact CD2-CB 4.41Å; F23-R127 HydrophobicContact CE1-CB 4.24Å; F23-R127 VanDerWaalsContact CE2-CZ 3.4Å; F23-R127 HydrophobicContact CG-CB 3.63Å; V125-R127 PolarHBondContact O-N 2.89Å; V125-R127 VanDerWaalsContact O-N 3.12Å
128A92.3Very high93.4Very high53 Ų5361.7 Ų61.744%0.43834%0.337SS..  trans-59.3135.1-174.800000112.5M1 S130M1-A128 VanDerWaalsContact CE-O 3.29Å; M1-A128 WeakPolarHBondContact CE-O 3.31Å; A128-S130 VanDerWaalsContact C-N 3.26Å; A128-S130 PolarHBondContact O-N 2.83Å
129P92.1Very high93.4Very high5 Ų564.2 Ų64.23%0.03235%0.346CS..SBendtrans-75.9-10.4177.833.8-38.5000112.2W6 L50 R51 W133W6-P129 HydrophobicContact CH2-CB 4.23Å; W6-P129 HydrophobicContact CZ3-CB 3.95Å; L50-P129 HydrophobicContact CB-CB 4.07Å; L50-P129 HydrophobicContact CB-CG 4.24Å; L50-P129 HydrophobicContact CD1-CG 4.24Å; L50-P129 HydrophobicContact CD2-CG 4.34Å; R51-P129 PolarHBondContact NH1-O 3.06Å; R51-P129 PolarHBondContact NH2-O 3.44Å; P129-W133 VanDerWaalsContact CD-CD2 3.49Å; P129-W133 HydrophobicContact CG-CB 4.09Å; P129-W133 HydrophobicContact CG-CD2 3.65Å; P129-W133 HydrophobicContact CG-CE3 4.39Å; P129-W133 HydrophobicContact CG-CG 3.47Å; P129-W133 VanDerWaalsContact CG-CG 3.47Å
130S91Very high93.7Very high56 Ų5658.7 Ų58.739%0.39233%0.325SS..SBendtrans-160.4158.116950.30000110A128 G132 W133A128-S130 VanDerWaalsContact C-N 3.26Å; A128-S130 PolarHBondContact O-N 2.83Å; S130-G132 PolarHBondContact O-N 3.07Å; S130-W133 WeakPolarHBondContact O-CB 3.3Å; S130-W133 PolarHBondContact O-N 3.2Å; S130-W133 VanDerWaalsContact O-N 3.13Å
131P92.3Very high93.9Very high138 Ų13862.6 Ų62.690%0.89634%0.343SS*.THydrogen-bonded Turntrans-53.3127.6171.9-25.535.4000110.9W133P131-W133 VanDerWaalsContact C-N 3.3Å; P131-W133 PolarHBondContact O-N 2.96Å
132G92Very high94.1Very high67 Ų6763.2 Ų63.269%0.69135%0.351SS*.THydrogen-bonded Turntrans79.61.7178.500000115.9S130S130-G132 PolarHBondContact O-N 3.07Å
133W94.4Very high94.3Very high36 Ų3661.3 Ų61.314%0.13634%0.342CS..  trans-60.8138.6175.3-17890.7000111.6L50 L120 V125 P129 S130 P131 A135 F138L50-W133 HydrophobicContact CD1-CH2 4.35Å; L50-W133 HydrophobicContact CD1-CZ2 3.85Å; L50-W133 HydrophobicContact CD2-CZ2 3.91Å; L120-W133 HydrophobicContact CD2-CH2 3.68Å; L120-W133 HydrophobicContact CD2-CZ2 3.7Å; L120-W133 HydrophobicContact CG-CH2 4.46Å; V125-W133 HydrophobicContact CB-CH2 3.77Å; V125-W133 HydrophobicContact CB-CZ3 3.68Å; V125-W133 HydrophobicContact CG1-CE3 4.49Å; V125-W133 HydrophobicContact CG1-CH2 4.07Å; V125-W133 HydrophobicContact CG1-CZ3 3.88Å; V125-W133 HydrophobicContact CG2-CH2 3.51Å; V125-W133 HydrophobicContact CG2-CZ2 4.39Å; V125-W133 HydrophobicContact CG2-CZ3 4Å; P129-W133 VanDerWaalsContact CD-CD2 3.49Å; P129-W133 HydrophobicContact CG-CB 4.09Å; P129-W133 HydrophobicContact CG-CD2 3.65Å; P129-W133 HydrophobicContact CG-CE3 4.39Å; P129-W133 HydrophobicContact CG-CG 3.47Å; P129-W133 VanDerWaalsContact CG-CG 3.47Å; S130-W133 WeakPolarHBondContact O-CB 3.3Å; S130-W133 PolarHBondContact O-N 3.2Å; S130-W133 VanDerWaalsContact O-N 3.13Å; P131-W133 VanDerWaalsContact C-N 3.3Å; P131-W133 PolarHBondContact O-N 2.96Å; W133-A135 VanDerWaalsContact CH2-CA 3.45Å; W133-A135 HydrophobicContact CH2-CB 3.71Å; W133-A135 HydrophobicContact CZ2-CB 4.45Å; W133-A135 HydrophobicContact CZ3-CB 4.11Å; W133-F138 HydrophobicContact CZ2-CB 4.34Å
134R94.6Very high94.5Very high107 Ų10763.2 Ų63.240%0.40434%0.34SS..  trans-134.7139.9173.2-61.2-64.6-64.6-104.30.8110.3D122 R136 Q137D122-R134 VanDerWaalsContact OD1-CA 3.29Å; D122-R134 WeakPolarHBondContact OD1-CA 3.33Å; D122-R134 IonicContact OD1-NE 3.26Å; D122-R134 PolarHBondContact OD1-NE 3.27Å; D122-R134 IonicContact OD2-CZ 3.27Å; D122-R134 IonicContact OD2-NE 3.42Å; D122-R134 PolarHBondContact OD2-NE 3.06Å; D122-R134 IonicContact OD2-NH2 3.37Å; D122-R134 PolarHBondContact OD2-NH2 2.86Å; R134-R136 HydrophobicContact CB-CG 3.97Å; R134-R136 PolarHBondContact O-N 2.99Å; R134-R136 VanDerWaalsContact O-N 3.12Å; R134-Q137 HydrophobicContact CB-CG 4.33Å; R134-Q137 VanDerWaalsContact O-CB 3.3Å; R134-Q137 WeakPolarHBondContact O-CB 3.27Å; R134-Q137 PolarHBondContact O-N 2.66Å
135A94.1Very high94.6Very high4 Ų462.8 Ų62.83%0.03334%0.34CS..G310 helixtrans-56.8-33179.500000113L120 D122 W133 Q137 F138L120-A135 HydrophobicContact CB-CB 4.19Å; L120-A135 HydrophobicContact CD2-CB 4.17Å; L120-A135 HydrophobicContact CG-CB 3.88Å; L120-A135 WeakPolarHBondContact O-CB 3.22Å; D122-A135 VanDerWaalsContact N-CB 3.28Å; D122-A135 PolarHBondContact OD1-N 3.26Å; W133-A135 VanDerWaalsContact CH2-CA 3.45Å; W133-A135 HydrophobicContact CH2-CB 3.71Å; W133-A135 HydrophobicContact CZ2-CB 4.45Å; W133-A135 HydrophobicContact CZ3-CB 4.11Å; A135-Q137 PolarHBondContact O-N 3.01Å; A135-F138 WeakPolarHBondContact O-CB 3.35Å; A135-F138 PolarHBondContact O-N 3.27Å
136R91.8Very high94.7Very high159 Ų15966.3 Ų66.360%0.636%0.361SS*.G310 helixtrans-58.5-22.2174.973.1-177.1-178.3-141.61.5114.3R134 R139R134-R136 HydrophobicContact CB-CG 3.97Å; R134-R136 PolarHBondContact O-N 2.99Å; R134-R136 VanDerWaalsContact O-N 3.12Å; R136-R139 PolarHBondContact O-NH1 2.79Å
137Q91.2Very high94.9Very high112 Ų11266.1 Ų66.152%0.52336%0.357SS..G310 helixtrans-88.2-14.7178.5-59.9168.2-44.200112.2R134 A135 R139R134-Q137 HydrophobicContact CB-CG 4.33Å; R134-Q137 VanDerWaalsContact O-CB 3.3Å; R134-Q137 WeakPolarHBondContact O-CB 3.27Å; R134-Q137 PolarHBondContact O-N 2.66Å; A135-Q137 PolarHBondContact O-N 3.01Å; Q137-R139 PolarHBondContact O-N 3.13Å
138F95.3Very high95.1Very high15 Ų1565.8 Ų65.87%0.06636%0.361CS..  trans-66.3130.4-178.6176.4-103.5000110.8L48 L50 F86 T118 L120 W133 A135L48-F138 HydrophobicContact CB-CE2 4.31Å; L48-F138 HydrophobicContact CB-CZ 4.24Å; L48-F138 HydrophobicContact CD2-CE1 4.33Å; L48-F138 HydrophobicContact CD2-CZ 4.19Å; L48-F138 WeakPolarHBondContact O-CE2 3.44Å; L48-F138 WeakPolarHBondContact O-CZ 3.21Å; L50-F138 HydrophobicContact CD2-CD2 3.61Å; L50-F138 HydrophobicContact CD2-CE2 3.92Å; F86-F138 HydrophobicContact CB-CE1 4.09Å; F86-F138 AromaticContact CD2-CE1 3.73Å; F86-F138 HydrophobicContact CD2-CE1 3.73Å; F86-F138 HydrophobicContact CD2-CZ 4.49Å; F86-F138 HydrophobicContact CG-CE1 4.32Å; T118-F138 HydrophobicContact CG2-CD1 3.74Å; T118-F138 HydrophobicContact CG2-CE1 3.99Å; L120-F138 HydrophobicContact CB-CD1 4.15Å; L120-F138 HydrophobicContact CD2-CB 3.8Å; L120-F138 HydrophobicContact CD2-CD1 3.86Å; L120-F138 HydrophobicContact CD2-CD2 4.35Å; L120-F138 HydrophobicContact CD2-CG 3.71Å; W133-F138 HydrophobicContact CZ2-CB 4.34Å; A135-F138 WeakPolarHBondContact O-CB 3.35Å; A135-F138 PolarHBondContact O-N 3.27Å
139R95.2Very high95.4Very high59 Ų5963.4 Ų63.422%0.22334%0.341CS..  trans-138.6142.4175.1-66.5-66.7178.4-82.313108.5N113 R136 Q137 Q141 T277N113-R139 VanDerWaalsContact OD1-CA 3.25Å; N113-R139 WeakPolarHBondContact OD1-CA 3.35Å; N113-R139 VanDerWaalsContact OD1-CD 3.27Å; N113-R139 WeakPolarHBondContact OD1-CD 3.1Å; R136-R139 PolarHBondContact O-NH1 2.79Å; Q137-R139 PolarHBondContact O-N 3.13Å; R139-Q141 PolarHBondContact O-N 3.4Å; R139-T277 PolarHBondContact NH2-OG1 3.04Å
140V96.9Very high95.7Very high3 Ų367.1 Ų67.12%0.01836%0.358CS..PPolyproline II helixtrans-65.6122.1161.3179.80000106.8F86 N113 T116F86-V140 HydrophobicContact CB-CG2 3.47Å; F86-V140 VanDerWaalsContact CB-CG2 3.47Å; N113-V140 PolarHBondContact ND2-O 3.43Å; N113-V140 PolarHBondContact OD1-N 3.04Å; T116-V140 HydrophobicContact CG2-CB 4.05Å; T116-V140 HydrophobicContact CG2-CG1 3.98Å; T116-V140 HydrophobicContact CG2-CG2 4.18Å
141Q97.7Very high96.1Very high101 Ų10168.5 Ų68.547%0.47236%0.361SS..PPolyproline II helixtrans-79.2142.9179.5-66.1-171.759.400110Y93 R139 V143Y93-Q141 HydrophobicContact CD1-CB 4.14Å; Y93-Q141 HydrophobicContact CD1-CG 4.36Å; Y93-Q141 VanDerWaalsContact CE2-NE2 3.3Å; Y93-Q141 HydrophobicContact CG-CB 4.03Å; Y93-Q141 HydrophobicContact CG-CG 4.43Å; Y93-Q141 VanDerWaalsContact CZ-NE2 3.27Å; R139-Q141 PolarHBondContact O-N 3.4Å; Q141-V143 PolarHBondContact O-N 2.92Å
142A97.8Very high96.4Very high61 Ų6164 Ų6450%0.50434%0.339SS..PPolyproline II helixtrans-60.9131.7174.600000110.5L108 A109L108-A142 WeakPolarHBondContact O-CA 3.47Å; A109-A142 WeakPolarHBondContact O-CB 3.48Å
143V97.4Very high96.7Very high18 Ų1863.7 Ų63.711%0.10932%0.322CS..  trans-139.6131.3174.462.60000109.5L92 V98 L108 A109 Q141 P145L92-V143 HydrophobicContact CB-CG1 4.01Å; V98-V143 HydrophobicContact CG2-CG2 4.05Å; L108-V143 CarbonylContact C-O 3.43Å; L108-V143 HydrophobicContact CD1-CG1 3.49Å; L108-V143 VanDerWaalsContact CD1-CG1 3.49Å; L108-V143 HydrophobicContact CD2-CG1 3.81Å; L108-V143 HydrophobicContact CG-CG1 3.45Å; L108-V143 VanDerWaalsContact CG-CG1 3.45Å; L108-V143 PolarHBondContact O-N 2.88Å; L108-V143 VanDerWaalsContact O-N 3.15Å; A109-V143 VanDerWaalsContact CA-O 3.31Å; A109-V143 WeakPolarHBondContact CA-O 3.5Å; A109-V143 PolarHBondContact N-O 2.67Å; Q141-V143 PolarHBondContact O-N 2.92Å; V143-P145 VanDerWaalsContact O-CD 3.3Å; V143-P145 WeakPolarHBondContact O-CD 3.32Å
144Q98Very high96.9Very high135 Ų13565.4 Ų65.463%0.63134%0.336SS*.  trans-78.8116.7175-65.1-59.1-41.600108.7A109 T146A109-Q144 PolarHBondContact O-NE2 2.87Å; Q144-T146 PolarHBondContact O-N 3.5Å
145P97.9Very high97.1Very high22 Ų2260.7 Ų60.714%0.14332%0.319CS..  trans-64.5131.9177.2-16.730.4000110.1V100 A105 L108 V143 L147 I148V100-P145 HydrophobicContact CG1-CB 3.71Å; V100-P145 HydrophobicContact CG1-CG 3.48Å; V100-P145 VanDerWaalsContact CG1-CG 3.48Å; A105-P145 HydrophobicContact CB-CG 4.32Å; L108-P145 HydrophobicContact CD2-CG 4.18Å; V143-P145 VanDerWaalsContact O-CD 3.3Å; V143-P145 WeakPolarHBondContact O-CD 3.32Å; P145-L147 VanDerWaalsContact C-N 3.34Å; P145-I148 HydrophobicContact CB-CD1 3.82Å; P145-I148 HydrophobicContact CG-CD1 4.13Å
146T98.4Very high97.3Very high82 Ų8264.3 Ų64.350%0.50334%0.338SS..SBendtrans-79.5-20.5175.158.50000113D96 R97 V98 Q144D96-T146 VanDerWaalsContact O-CG2 3.31Å; D96-T146 WeakPolarHBondContact O-CG2 3.42Å; R97-T146 WeakPolarHBondContact CA-OG1 3.4Å; V98-T146 PolarHBondContact N-OG1 3.05Å; V98-T146 PolarHBondContact O-N 3.17Å; V98-T146 PolarHBondContact O-OG1 3.28Å; Q144-T146 PolarHBondContact O-N 3.5Å
147L98.4Very high97.6Very high72 Ų7256.8 Ų56.838%0.37731%0.309SS..EExtended strand (participates in β ladder)trans-136.5128.7178.8179.762.3000109.7L78 V98 A99 V100 P145 L149L78-L147 HydrophobicContact CD2-CD2 4.4Å; V98-L147 PolarHBondContact O-N 3.19Å; A99-L147 VanDerWaalsContact CA-O 3.28Å; A99-L147 WeakPolarHBondContact CA-O 3.32Å; A99-L147 HydrophobicContact CB-CB 3.92Å; A99-L147 HydrophobicContact CB-CD2 4.07Å; A99-L147 HydrophobicContact CB-CG 4.22Å; V100-L147 PolarHBondContact N-O 3.21Å; P145-L147 VanDerWaalsContact C-N 3.34Å; L147-L149 HydrophobicContact CD2-CD2 3.65Å; L147-L149 HydrophobicContact CG-CD2 3.82Å
148I98.7Very high97.8Very high76 Ų7652.6 Ų52.639%0.3930%0.297SS..EExtended strand (participates in β ladder)trans-104116.8176.3-57.7-61.1000108H102 A105 P145H102-I148 HydrophobicContact CB-CG2 3.45Å; H102-I148 VanDerWaalsContact CB-CG2 3.45Å; A105-I148 HydrophobicContact CB-CD1 3.6Å; P145-I148 HydrophobicContact CB-CD1 3.82Å; P145-I148 HydrophobicContact CG-CD1 4.13Å
149L98.7Very high97.8Very high3 Ų356.6 Ų56.62%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-91.7148.5-175.7-58174.8000111.9V80 A99 V100 H101 H102 L147 D153 I155 V164 I175V80-L149 HydrophobicContact CG1-CD1 3.88Å; A99-L149 HydrophobicContact CB-CD1 3.88Å; A99-L149 HydrophobicContact CB-CD2 4.31Å; A99-L149 HydrophobicContact CB-CG 4.05Å; V100-L149 PolarHBondContact O-N 2.81Å; H101-L149 WeakPolarHBondContact CA-O 3.1Å; H101-L149 PolarHBondContact CD2-O 2.7Å; H102-L149 PolarHBondContact N-O 2.67Å; L147-L149 HydrophobicContact CD2-CD2 3.65Å; L147-L149 HydrophobicContact CG-CD2 3.82Å; L149-D153 WeakPolarHBondContact CA-OD2 3.12Å; L149-I155 HydrophobicContact CD1-CD1 4.35Å; L149-V164 HydrophobicContact CB-CG1 4.33Å; L149-V164 HydrophobicContact CB-CG2 4.46Å; L149-V164 HydrophobicContact CD1-CG2 4.11Å; L149-V164 HydrophobicContact CD2-CG2 4.21Å; L149-I175 HydrophobicContact CD1-CD1 3.89Å
150Q98.6Very high97.9Very high84 Ų8454 Ų5439%0.39331%0.309SS..  trans-124.7164.6173.4-60.9-66.6-9.800110.9H102 G152 D153 V164H102-Q150 PolarHBondContact CE1-OE1 3.03Å; H102-Q150 VanDerWaalsContact CE1-OE1 3.24Å; H102-Q150 PolarHBondContact ND1-NE2 3.03Å; H102-Q150 PolarHBondContact ND1-OE1 2.82Å; Q150-G152 PolarHBondContact O-N 3.08Å; Q150-D153 PolarHBondContact N-OD2 3.47Å; Q150-D153 WeakPolarHBondContact O-CB 3.49Å; Q150-D153 PolarHBondContact O-N 2.88Å; Q150-V164 WeakPolarHBondContact O-CB 3.44Å; Q150-V164 VanDerWaalsContact O-CG1 3.31Å; Q150-V164 WeakPolarHBondContact O-CG1 3.34Å
151D98.7Very high98Very high84 Ų8458.6 Ų58.645%0.44933%0.33SS..THydrogen-bonded Turntrans-59132.5170.5-169.567.2000110.6D153 M165 H166 R214D151-D153 VanDerWaalsContact C-N 3.32Å; D151-D153 PolarHBondContact O-N 2.89Å; D151-M165 WeakPolarHBondContact OD1-CA 3.37Å; D151-H166 HydrophobicContact CB-CB 3.75Å; D151-H166 PolarHBondContact OD1-N 3.29Å; D151-R214 IonicContact OD1-NH2 3.5Å; D151-R214 PolarHBondContact OD1-NH2 3.17Å; D151-R214 IonicContact OD2-NH2 3.68Å
152G98.7Very high98Very high43 Ų4353.8 Ų53.844%0.44331%0.307SS..THydrogen-bonded Turntrans86.2-917900000115.4Q150 V164Q150-G152 PolarHBondContact O-N 3.08Å; G152-V164 WeakPolarHBondContact CA-O 3.5Å; G152-V164 PolarHBondContact N-O 2.76Å
153D98.8Very high98.1Very high61 Ų6151.7 Ų51.733%0.32629%0.289SS..  trans-57.8153173.8-78.4-15000111.3L149 Q150 D151 T163 V164L149-D153 WeakPolarHBondContact CA-OD2 3.12Å; Q150-D153 PolarHBondContact N-OD2 3.47Å; Q150-D153 WeakPolarHBondContact O-CB 3.49Å; Q150-D153 PolarHBondContact O-N 2.88Å; D151-D153 VanDerWaalsContact C-N 3.32Å; D151-D153 PolarHBondContact O-N 2.89Å; D153-T163 CarbonylContact O-C 3.5Å; D153-T163 WeakPolarHBondContact O-CA 3.34Å; D153-V164 HydrophobicContact CB-CB 4.19Å; D153-V164 HydrophobicContact CB-CG2 3.99Å; D153-V164 PolarHBondContact O-N 3.41Å
154V98.7Very high98.2Very high73 Ų7350.9 Ų50.944%0.44228%0.284SS..EExtended strand (participates in β ladder)trans-120.4122179.11800000110.2Q161 L162V154-Q161 HydrophobicContact CG1-CB 3.86Å; V154-Q161 HydrophobicContact CG1-CG 4.12Å; V154-L162 WeakPolarHBondContact CA-O 3.39Å
155I98.6Very high98.2Very high8 Ų845.6 Ų45.64%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-88.1107.6168.2-51.9178.1000107V42 L78 V80 L149 L157 L162 V164 L177V42-I155 HydrophobicContact CG2-CG2 3.85Å; L78-I155 HydrophobicContact CD2-CD1 4.44Å; L78-I155 HydrophobicContact CD2-CG2 3.85Å; V80-I155 HydrophobicContact CG1-CD1 4.33Å; V80-I155 HydrophobicContact CG2-CD1 3.74Å; L149-I155 HydrophobicContact CD1-CD1 4.35Å; I155-L157 HydrophobicContact CB-CD1 4.47Å; I155-L157 HydrophobicContact CG2-CD1 3.94Å; I155-L157 VanDerWaalsContact O-CD1 3.29Å; I155-L157 WeakPolarHBondContact O-CD1 3.31Å; I155-L162 HydrophobicContact CB-CB 4.35Å; I155-L162 PolarHBondContact N-O 3.37Å; I155-L162 PolarHBondContact O-N 2.87Å; I155-V164 HydrophobicContact CD1-CG2 4.34Å; I155-V164 HydrophobicContact CG1-CG2 4.26Å; I155-L177 HydrophobicContact CD1-CD2 3.97Å
156N98Very high98.3Very high80 Ų8046.6 Ų46.643%0.42826%0.262SS..EExtended strand (participates in β ladder)trans-88.3122.8179.2-171.58.3000110.6G158N156-G158 WeakPolarHBondContact OD1-CA 2.99Å; N156-G158 PolarHBondContact OD1-N 3.18Å; N156-G158 PolarHBondContact OD1-O 3.48Å
157L97.6Very high98.3Very high0 Ų042.8 Ų42.80%024%0.238CC..  trans-104.64.9176-69.372.6000111.8V35 G37 S38 E39 Q40 V42 I155 R160 L162V35-L157 HydrophobicContact CB-CD2 4.16Å; V35-L157 HydrophobicContact CG1-CD2 3.77Å; G37-L157 CarbonylContact C-O 3.49Å; S38-L157 PolarHBondContact N-O 2.98Å; S38-L157 VanDerWaalsContact N-O 3.1Å; E39-L157 PolarHBondContact N-O 3.1Å; Q40-L157 PolarHBondContact N-O 2.9Å; Q40-L157 WeakPolarHBondContact O-CB 3.43Å; Q40-L157 WeakPolarHBondContact O-CG 3.5Å; V42-L157 HydrophobicContact CB-CD2 4.2Å; V42-L157 HydrophobicContact CG2-CD1 3.79Å; V42-L157 HydrophobicContact CG2-CD2 3.89Å; V42-L157 HydrophobicContact CG2-CG 3.82Å; I155-L157 HydrophobicContact CB-CD1 4.47Å; I155-L157 HydrophobicContact CG2-CD1 3.94Å; I155-L157 VanDerWaalsContact O-CD1 3.29Å; I155-L157 WeakPolarHBondContact O-CD1 3.31Å; L157-R160 WeakPolarHBondContact CA-O 3.1Å; L157-R160 HydrophobicContact CB-CB 4.36Å; L157-R160 WeakPolarHBondContact CB-O 3.47Å; L157-R160 PolarHBondContact N-O 3.42Å; L157-L162 HydrophobicContact CD1-CD1 4.18Å; L157-L162 HydrophobicContact CD1-CG 4.07Å
158G96.4Very high98.3Very high25 Ų2540.4 Ų40.426%0.25823%0.227SC..SBendtrans99.9-91.3-174.300000110.9S38 N156 R160S38-G158 WeakPolarHBondContact OG-CA 3.45Å; N156-G158 WeakPolarHBondContact OD1-CA 2.99Å; N156-G158 PolarHBondContact OD1-N 3.18Å; N156-G158 PolarHBondContact OD1-O 3.48Å; G158-R160 PolarHBondContact O-N 3.28Å
159D95.1Very high98.2Very high98 Ų9836.8 Ų36.852%0.52421%0.209SC..SBendtrans-81.43.1178.268.1-27.7000114.3G37 S38G37-D159 WeakPolarHBondContact CA-OD1 3.08Å; S38-D159 PolarHBondContact N-OD1 3.01Å; S38-D159 PolarHBondContact OG-N 2.84Å; S38-D159 PolarHBondContact OG-OD1 2.95Å
160R97.2Very high98.2Very high6 Ų636.7 Ų36.72%0.02321%0.209CC..  trans-144.3144.2177.6177.3178.3-90.7148.8-5109.9D14 V35 R36 L157 G158 L162 D179D14-R160 VanDerWaalsContact O-CZ 3.32Å; D14-R160 PolarHBondContact O-NH1 3.22Å; D14-R160 PolarHBondContact O-NH2 2.96Å; V35-R160 VanDerWaalsContact CG1-CD 3.48Å; R36-R160 PolarHBondContact O-NH1 3.33Å; L157-R160 WeakPolarHBondContact CA-O 3.1Å; L157-R160 HydrophobicContact CB-CB 4.36Å; L157-R160 WeakPolarHBondContact CB-O 3.47Å; L157-R160 PolarHBondContact N-O 3.42Å; G158-R160 PolarHBondContact O-N 3.28Å; R160-L162 HydrophobicContact CG-CD2 4.47Å; R160-D179 WeakPolarHBondContact CD-OD2 3.26Å; R160-D179 IonicContact CZ-OD2 3.82Å; R160-D179 IonicContact NE-OD2 2.68Å; R160-D179 PolarHBondContact NE-OD2 3.21Å; R160-D179 IonicContact NH2-OD2 3.09Å
161Q98.4Very high98.2Very high98 Ų9832.9 Ų32.946%0.45819%0.191SC..EExtended strand (participates in β ladder)trans-128.4137.4176.9-68.1178.984.400110V154V154-Q161 HydrophobicContact CG1-CB 3.86Å; V154-Q161 HydrophobicContact CG1-CG 4.12Å
162L98.9Very high98.1Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-113.9115.3174-55.9179.6000108.9I44 V154 I155 L157 R160 L177 D179 F186I44-L162 HydrophobicContact CD1-CD1 4.41Å; V154-L162 WeakPolarHBondContact CA-O 3.39Å; I155-L162 HydrophobicContact CB-CB 4.35Å; I155-L162 PolarHBondContact N-O 3.37Å; I155-L162 PolarHBondContact O-N 2.87Å; L157-L162 HydrophobicContact CD1-CD1 4.18Å; L157-L162 HydrophobicContact CD1-CG 4.07Å; R160-L162 HydrophobicContact CG-CD2 4.47Å; L162-L177 HydrophobicContact CB-CB 4.32Å; L162-L177 HydrophobicContact CD1-CB 4.47Å; L162-L177 HydrophobicContact CD1-CD1 4.36Å; L162-D179 HydrophobicContact CD2-CB 3.83Å; L162-F186 HydrophobicContact CD2-CE2 4.18Å
163T98.9Very high98Very high18 Ų1832.4 Ų32.411%0.1117%0.169CC..EExtended strand (participates in β ladder)trans-80.9127.1172.8-54.50000109.4D153 H178 K180D153-T163 CarbonylContact O-C 3.5Å; D153-T163 WeakPolarHBondContact O-CA 3.34Å; T163-H178 PolarHBondContact N-O 3.03Å; T163-H178 PolarHBondContact O-N 2.88Å; T163-K180 WeakPolarHBondContact OG1-CE 3.31Å; T163-K180 PolarHBondContact OG1-NZ 3.35Å
164V98.9Very high98Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-73.6129.2171.9-177.80000109L149 Q150 G152 D153 I155 I175 L177L149-V164 HydrophobicContact CB-CG1 4.33Å; L149-V164 HydrophobicContact CB-CG2 4.46Å; L149-V164 HydrophobicContact CD1-CG2 4.11Å; L149-V164 HydrophobicContact CD2-CG2 4.21Å; Q150-V164 WeakPolarHBondContact O-CB 3.44Å; Q150-V164 VanDerWaalsContact O-CG1 3.31Å; Q150-V164 WeakPolarHBondContact O-CG1 3.34Å; G152-V164 WeakPolarHBondContact CA-O 3.5Å; G152-V164 PolarHBondContact N-O 2.76Å; D153-V164 HydrophobicContact CB-CB 4.19Å; D153-V164 HydrophobicContact CB-CG2 3.99Å; D153-V164 PolarHBondContact O-N 3.41Å; I155-V164 HydrophobicContact CD1-CG2 4.34Å; I155-V164 HydrophobicContact CG1-CG2 4.26Å; V164-I175 HydrophobicContact CG1-CB 4.16Å; V164-I175 HydrophobicContact CG1-CD1 4.11Å; V164-I175 HydrophobicContact CG1-CG2 3.82Å; V164-L177 HydrophobicContact CB-CD2 4.44Å; V164-L177 HydrophobicContact CG2-CD2 3.82Å
165M98.9Very high98Very high25 Ų2526 Ų2612%0.12313%0.133CC..EExtended strand (participates in β ladder)trans-121.6113.6172.8-54.1-175.37700108.8D151 M167 I175 C176 H178 L185 L218D151-M165 WeakPolarHBondContact OD1-CA 3.37Å; M165-M167 HydrophobicContact CB-CE 3.97Å; M165-M167 HydrophobicContact CB-CG 4.2Å; M165-M167 HydrophobicContact CE-CE 3.42Å; M165-M167 VanDerWaalsContact CE-CE 3.42Å; M165-M167 PolarHBondContact O-N 3.28Å; M165-M167 HydrophobicContact SD-CE 4.03Å; M165-I175 CarbonylContact O-C 3.45Å; M165-I175 WeakPolarHBondContact O-CA 3.43Å; M165-C176 HydrophobicContact CB-CB 4.3Å; M165-C176 PolarHBondContact N-O 2.84Å; M165-C176 PolarHBondContact O-N 3.42Å; M165-H178 HydrophobicContact CG-CB 4.34Å; M165-H178 HydrophobicContact SD-CB 3.88Å; M165-L185 HydrophobicContact SD-CD1 4.35Å; M165-L218 HydrophobicContact CE-CD1 3.95Å; M165-L218 HydrophobicContact CE-CD2 3.98Å; M165-L218 HydrophobicContact CE-CG 4.33Å; M165-L218 HydrophobicContact SD-CD1 4.01Å
166H98.9Very high98.1Very high43 Ų4325.7 Ų25.720%0.19913%0.131CC..EExtended strand (participates in β ladder)trans-70.2115.4173179-143.5000109.3H101 D151 P168 R172 S174 R214H101-H166 AromaticContact CE1-CD2 3.37Å; H101-H166 PolarHBondContact CE1-CD2 3.42Å; H101-H166 AromaticContact CE1-CE1 3.74Å; H101-H166 AromaticContact CE1-CG 3.62Å; H101-H166 AromaticContact CE1-ND1 3.85Å; H101-H166 AromaticContact CE1-NE2 3.46Å; H101-H166 PolarHBondContact CE1-NE2 2.78Å; H101-H166 AromaticContact ND1-CD2 3.88Å; H101-H166 AromaticContact NE2-CD2 3.6Å; H101-H166 AromaticContact NE2-CG 3.47Å; H101-H166 AromaticContact NE2-ND1 3.93Å; D151-H166 HydrophobicContact CB-CB 3.75Å; D151-H166 PolarHBondContact OD1-N 3.29Å; H166-P168 WeakPolarHBondContact O-CD 3.15Å; H166-R172 PolarHBondContact NE2-O 2.97Å; H166-S174 PolarHBondContact CD2-O 2.81Å; H166-R214 PolarHBondContact O-NH1 3.24Å
167M98.8Very high98.1Very high1 Ų121.9 Ų21.91%0.00511%0.111CC..  trans-128.868.7-173.7-69.3-59.7-167.300109.7M165 S174 C176 V190 T211 R214 L218M165-M167 HydrophobicContact CB-CE 3.97Å; M165-M167 HydrophobicContact CB-CG 4.2Å; M165-M167 HydrophobicContact CE-CE 3.42Å; M165-M167 VanDerWaalsContact CE-CE 3.42Å; M165-M167 PolarHBondContact O-N 3.28Å; M165-M167 HydrophobicContact SD-CE 4.03Å; M167-S174 CarbonylContact C-O 3.56Å; M167-S174 PolarHBondContact N-O 3.45Å; M167-S174 VanDerWaalsContact O-CB 3.28Å; M167-S174 WeakPolarHBondContact O-CB 3.39Å; M167-C176 HydrophobicContact CG-CB 4.41Å; M167-V190 HydrophobicContact CB-CB 4.35Å; M167-V190 HydrophobicContact CB-CG1 3.71Å; M167-V190 HydrophobicContact CB-CG2 3.65Å; M167-V190 HydrophobicContact CG-CG1 4.27Å; M167-T211 WeakPolarHBondContact CA-OG1 3.31Å; M167-T211 HydrophobicContact CB-CG2 3.78Å; M167-T211 HydrophobicContact CG-CG2 4.38Å; M167-T211 HydrophobicContact SD-CG2 4.14Å; M167-R214 HydrophobicContact CE-CB 4.01Å; M167-R214 HydrophobicContact SD-CB 4.18Å; M167-L218 HydrophobicContact CE-CD1 4.41Å
168P98.6Very high98.2Very high22 Ų2222 Ų2214%0.14311%0.111CC..  trans-67.5158.2-175.329.5-34.9000112H166 D207 T211H166-P168 WeakPolarHBondContact O-CD 3.15Å; P168-D207 HydrophobicContact CB-CB 4.11Å; P168-D207 HydrophobicContact CG-CB 4.11Å; P168-D207 CarbonylContact O-C 3.58Å; P168-T211 WeakPolarHBondContact O-CB 3.36Å; P168-T211 PolarHBondContact O-OG1 2.83Å
169G97.6Very high98.3Very high1 Ų120.8 Ų20.81%0.0110%0.099CC..SBendtrans144.7-53.6176.200000111.9S171 S203 R204G169-S171 PolarHBondContact N-O 2.76Å; G169-S171 VanDerWaalsContact N-O 3.09Å; G169-S203 CarbonylContact O-C 3.54Å; G169-S203 WeakPolarHBondContact O-CA 3.45Å; G169-S203 VanDerWaalsContact O-CB 3.26Å; G169-S203 WeakPolarHBondContact O-CB 3.26Å; G169-R204 PolarHBondContact O-N 2.65Å
170H97.9Very high98.4Very high1 Ų121.4 Ų21.41%0.00510%0.097CC..SBendtrans-69.1-52.1169.8179.372.1000111.1H83 H85 D189 I197 S203 Y208H83-H170 AromaticContact CD2-CD2 3.75Å; H83-H170 AromaticContact CD2-NE2 3.87Å; H83-H170 AromaticContact NE2-CD2 3.65Å; H83-H170 AromaticContact NE2-NE2 3.42Å; H83-H170 PolarHBondContact NE2-NE2 2.9Å; H85-H170 AromaticContact CE1-CD2 3.6Å; H85-H170 AromaticContact CE1-CE1 3.71Å; H85-H170 AromaticContact CE1-NE2 3.01Å; H85-H170 PolarHBondContact CE1-NE2 3.02Å; H85-H170 AromaticContact ND1-CD2 3.79Å; H85-H170 AromaticContact ND1-CE1 3.83Å; H85-H170 AromaticContact ND1-NE2 2.96Å; H85-H170 PolarHBondContact ND1-NE2 2.95Å; H170-D189 WeakPolarHBondContact CD2-CB 3.47Å; H170-D189 IonicContact CE1-OD2 3.12Å; H170-D189 WeakPolarHBondContact NE2-CB 3.35Å; H170-D189 IonicContact NE2-OD2 2.78Å; H170-I197 PolarHBondContact ND1-O 3.5Å; H170-S203 WeakPolarHBondContact O-CA 3.44Å; H170-S203 WeakPolarHBondContact O-CB 3.37Å; H170-S203 PolarHBondContact O-OG 2.74Å; H170-Y208 HydrophobicContact CB-CE1 4.14Å
171S98.1Very high98.4Very high3 Ų327.2 Ų27.22%0.02113%0.128CC..SBendtrans-128.1-179.3167.374.80000110.5H83 E104 G169 S174H83-S171 VanDerWaalsContact CB-OG 3.32Å; H83-S171 WeakPolarHBondContact CB-OG 3.19Å; E104-S171 WeakPolarHBondContact OE1-CB 3.36Å; E104-S171 PolarHBondContact OE1-OG 2.87Å; G169-S171 PolarHBondContact N-O 2.76Å; G169-S171 VanDerWaalsContact N-O 3.09Å; S171-S174 PolarHBondContact N-OG 3.18Å; S171-S174 WeakPolarHBondContact OG-CA 3.32Å; S171-S174 WeakPolarHBondContact OG-CB 3.35Å; S171-S174 PolarHBondContact OG-N 2.65Å; S171-S174 PolarHBondContact OG-OG 3.23Å
172R96.9Very high98.4Very high117 Ų11726.5 Ų26.544%0.44212%0.122SC..SBendtrans-73.7-36.8-176.5-56.4177.767.7151.7-5.8111.5A103 E104 H166 Y202A103-R172 HydrophobicContact CB-CB 4.19Å; E104-R172 PolarHBondContact OE1-N 2.86Å; H166-R172 PolarHBondContact NE2-O 2.97Å; R172-Y202 HydrophobicContact CG-CG 4.34Å
173G97.6Very high98.4Very high0 Ų029.9 Ų29.90%014%0.136CC..SBendtrans-121.927-178.300000113.6H101 E104 I175H101-G173 WeakPolarHBondContact CB-O 3.28Å; H101-G173 VanDerWaalsContact ND1-CA 3.3Å; H101-G173 WeakPolarHBondContact ND1-CA 3.35Å; E104-G173 VanDerWaalsContact CG-CA 3.42Å; E104-G173 PolarHBondContact OE1-N 3.01Å; G173-I175 PolarHBondContact O-N 3.01Å
174S98.8Very high98.4Very high1 Ų129.7 Ų29.71%0.00714%0.135CC..  trans-48.7128.8167.2-78.30000109.9T82 H166 M167 S171T82-S174 CarbonylContact O-C 3.58Å; T82-S174 WeakPolarHBondContact O-CA 3.33Å; H166-S174 PolarHBondContact CD2-O 2.81Å; M167-S174 CarbonylContact C-O 3.56Å; M167-S174 PolarHBondContact N-O 3.45Å; M167-S174 VanDerWaalsContact O-CB 3.28Å; M167-S174 WeakPolarHBondContact O-CB 3.39Å; S171-S174 PolarHBondContact N-OG 3.18Å; S171-S174 WeakPolarHBondContact OG-CA 3.32Å; S171-S174 WeakPolarHBondContact OG-CB 3.35Å; S171-S174 PolarHBondContact OG-N 2.65Å; S171-S174 PolarHBondContact OG-OG 3.23Å
175I98.9Very high98.4Very high0 Ų029.7 Ų29.70%014%0.135CC..EExtended strand (participates in β ladder)trans-121.5149.4174.959.2169.4000111.1V80 T82 H101 L149 V164 M165 G173 L177V80-I175 HydrophobicContact CG1-CD1 4.11Å; T82-I175 WeakPolarHBondContact O-CG1 3.39Å; T82-I175 PolarHBondContact O-N 3.23Å; H101-I175 HydrophobicContact CB-CG2 3.78Å; L149-I175 HydrophobicContact CD1-CD1 3.89Å; V164-I175 HydrophobicContact CG1-CB 4.16Å; V164-I175 HydrophobicContact CG1-CD1 4.11Å; V164-I175 HydrophobicContact CG1-CG2 3.82Å; M165-I175 CarbonylContact O-C 3.45Å; M165-I175 WeakPolarHBondContact O-CA 3.43Å; G173-I175 PolarHBondContact O-N 3.01Å; I175-L177 HydrophobicContact CD1-CD2 4.06Å
176C98.9Very high98.4Very high0 Ų028.5 Ų28.50%013%0.129CC..EExtended strand (participates in β ladder)trans-98.5152155-63.40000109.6M165 M167 L185 F186M165-C176 HydrophobicContact CB-CB 4.3Å; M165-C176 PolarHBondContact N-O 2.84Å; M165-C176 PolarHBondContact O-N 3.42Å; M167-C176 HydrophobicContact CG-CB 4.41Å; C176-L185 HydrophobicContact CB-CD1 3.61Å; C176-L185 HydrophobicContact CB-CG 4.12Å; C176-F186 CarbonylContact C-O 3.49Å; C176-F186 VanDerWaalsContact CA-O 3.25Å; C176-F186 WeakPolarHBondContact CA-O 3.5Å
177L98.9Very high98.4Very high0 Ų026.5 Ų26.50%012%0.119CC..EExtended strand (participates in β ladder)trans-110.6120.7166.4-60.5173.4000108.8I44 V80 I155 L162 V164 I175 F186I44-L177 HydrophobicContact CD1-CD1 3.69Å; I44-L177 HydrophobicContact CG1-CD1 3.73Å; I44-L177 HydrophobicContact CG2-CD1 4.06Å; V80-L177 HydrophobicContact CB-CD1 4.32Å; V80-L177 HydrophobicContact CG1-CD1 3.98Å; I155-L177 HydrophobicContact CD1-CD2 3.97Å; L162-L177 HydrophobicContact CB-CB 4.32Å; L162-L177 HydrophobicContact CD1-CB 4.47Å; L162-L177 HydrophobicContact CD1-CD1 4.36Å; V164-L177 HydrophobicContact CB-CD2 4.44Å; V164-L177 HydrophobicContact CG2-CD2 3.82Å; I175-L177 HydrophobicContact CD1-CD2 4.06Å; L177-F186 HydrophobicContact CB-CB 4.21Å; L177-F186 HydrophobicContact CB-CD2 4.44Å; L177-F186 PolarHBondContact N-O 3.43Å; L177-F186 PolarHBondContact O-N 3.24Å
178H98.9Very high98.4Very high2 Ų226.5 Ų26.51%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-109.4114.7-173.4-175.3-148.1000111.5T163 M165 K180 I184 L185 L223T163-H178 PolarHBondContact N-O 3.03Å; T163-H178 PolarHBondContact O-N 2.88Å; M165-H178 HydrophobicContact CG-CB 4.34Å; M165-H178 HydrophobicContact SD-CB 3.88Å; H178-K180 WeakPolarHBondContact CE1-CG 3.37Å; H178-K180 VanDerWaalsContact ND1-CG 3.28Å; H178-K180 WeakPolarHBondContact ND1-CG 3.45Å; H178-K180 PolarHBondContact O-N 3.01Å; H178-I184 PolarHBondContact CD2-O 2.68Å; H178-L185 HydrophobicContact CB-CD1 3.99Å; H178-L223 PolarHBondContact NE2-O 3.15Å
179D98.7Very high98.4Very high0 Ų025.8 Ų25.80%012%0.115CC..EExtended strand (participates in β ladder)trans-86.496.6164.3-175.8-26.7000107.5R160 L162 D181 R182 K183 I184R160-D179 WeakPolarHBondContact CD-OD2 3.26Å; R160-D179 IonicContact CZ-OD2 3.82Å; R160-D179 IonicContact NE-OD2 2.68Å; R160-D179 PolarHBondContact NE-OD2 3.21Å; R160-D179 IonicContact NH2-OD2 3.09Å; L162-D179 HydrophobicContact CD2-CB 3.83Å; D179-D181 PolarHBondContact OD1-N 2.89Å; D179-R182 PolarHBondContact OD1-N 3.41Å; D179-R182 IonicContact OD1-NH1 2.72Å; D179-R182 WeakPolarHBondContact OD2-CD 3.23Å; D179-R182 IonicContact OD2-NH1 2.65Å; D179-R182 PolarHBondContact OD2-NH1 2.95Å; D179-K183 WeakPolarHBondContact O-CA 3.46Å; D179-K183 PolarHBondContact O-N 2.85Å; D179-I184 HydrophobicContact CB-CB 4.26Å; D179-I184 PolarHBondContact N-O 2.89Å; D179-I184 PolarHBondContact O-N 3.35Å
180K97.7Very high98.4Very high112 Ų11225.8 Ų25.849%0.48712%0.115SC..THydrogen-bonded Turntrans-64.4-42.2-175.9-74.8168.8179.6158.10112.3T163 H178 R182 K183T163-K180 WeakPolarHBondContact OG1-CE 3.31Å; T163-K180 PolarHBondContact OG1-NZ 3.35Å; H178-K180 WeakPolarHBondContact CE1-CG 3.37Å; H178-K180 VanDerWaalsContact ND1-CG 3.28Å; H178-K180 WeakPolarHBondContact ND1-CG 3.45Å; H178-K180 PolarHBondContact O-N 3.01Å; K180-R182 VanDerWaalsContact C-N 3.29Å; K180-R182 PolarHBondContact O-N 3.26Å; K180-K183 PolarHBondContact O-N 3.24Å
181D97.4Very high98.4Very high127 Ų12725.8 Ų25.868%0.67912%0.115SC*.THydrogen-bonded Turntrans-66.4-35.8-174.7-63.5-24.4000111.3D179D179-D181 PolarHBondContact OD1-N 2.89Å
182R97.7Very high98.4Very high83 Ų8325.8 Ų25.831%0.31311%0.114SC..THydrogen-bonded Turntrans-98-1.2177.7-61.4179.4-176.970.80.5113.6D179 K180 I184D179-R182 PolarHBondContact OD1-N 3.41Å; D179-R182 IonicContact OD1-NH1 2.72Å; D179-R182 WeakPolarHBondContact OD2-CD 3.23Å; D179-R182 IonicContact OD2-NH1 2.65Å; D179-R182 PolarHBondContact OD2-NH1 2.95Å; K180-R182 VanDerWaalsContact C-N 3.29Å; K180-R182 PolarHBondContact O-N 3.26Å; R182-I184 HydrophobicContact CB-CD1 3.92Å; R182-I184 HydrophobicContact CB-CG1 4.15Å; R182-I184 PolarHBondContact O-N 2.8Å
183K98.6Very high98.3Very high71 Ų7123 Ų2331%0.30911%0.108SC..THydrogen-bonded Turntrans5241.3-177.1-55.1175.9-179.2-1740112.7D179 K180 G222 L223 E225 K226D179-K183 WeakPolarHBondContact O-CA 3.46Å; D179-K183 PolarHBondContact O-N 2.85Å; K180-K183 PolarHBondContact O-N 3.24Å; K183-G222 WeakPolarHBondContact CD-O 3.15Å; K183-G222 VanDerWaalsContact CE-O 3.27Å; K183-G222 WeakPolarHBondContact CE-O 3.45Å; K183-G222 PolarHBondContact NZ-O 2.77Å; K183-L223 WeakPolarHBondContact CA-O 3.26Å; K183-L223 WeakPolarHBondContact CB-O 3.35Å; K183-E225 HydrophobicContact CB-CB 4.11Å; K183-E225 HydrophobicContact CB-CG 4.13Å; K183-E225 HydrophobicContact CD-CG 3.71Å; K183-E225 WeakPolarHBondContact CD-OE1 3.39Å; K183-E225 IonicContact NZ-OE1 3.05Å; K183-E225 PolarHBondContact NZ-OE1 2.79Å; K183-E225 PolarHBondContact O-N 3.49Å; K183-K226 PolarHBondContact O-N 2.87Å
184I98.9Very high98.1Very high15 Ų1524.1 Ų24.18%0.07712%0.119CC..EExtended strand (participates in β ladder)trans-105.5130.5178.5-67.5169.1000109.3I16 H178 D179 R182 F186 K226 L228I16-I184 HydrophobicContact CD1-CD1 3.7Å; H178-I184 PolarHBondContact CD2-O 2.68Å; D179-I184 HydrophobicContact CB-CB 4.26Å; D179-I184 PolarHBondContact N-O 2.89Å; D179-I184 PolarHBondContact O-N 3.35Å; R182-I184 HydrophobicContact CB-CD1 3.92Å; R182-I184 HydrophobicContact CB-CG1 4.15Å; R182-I184 PolarHBondContact O-N 2.8Å; I184-F186 HydrophobicContact CG2-CD2 4.16Å; I184-F186 HydrophobicContact CG2-CE2 3.77Å; I184-F186 HydrophobicContact CG2-CZ 4.05Å; I184-K226 WeakPolarHBondContact CA-O 3.44Å; I184-K226 HydrophobicContact CG1-CB 4.38Å; I184-L228 HydrophobicContact CG2-CD1 3.96Å; I184-L228 HydrophobicContact CG2-CD2 4.3Å
185L98.9Very high97.7Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-112115.5174-168.471.4000110M165 C176 H178 L215 L218 V224 K226 V227 L228M165-L185 HydrophobicContact SD-CD1 4.35Å; C176-L185 HydrophobicContact CB-CD1 3.61Å; C176-L185 HydrophobicContact CB-CG 4.12Å; H178-L185 HydrophobicContact CB-CD1 3.99Å; L185-L215 HydrophobicContact CD2-CD2 3.88Å; L185-L218 HydrophobicContact CD1-CD1 4.49Å; L185-V224 HydrophobicContact CB-CG1 3.98Å; L185-V224 HydrophobicContact CB-CG2 4.11Å; L185-V224 HydrophobicContact CD2-CG2 4.49Å; L185-K226 PolarHBondContact N-O 2.82Å; L185-V227 HydrophobicContact CB-CG2 4.48Å; L185-V227 CarbonylContact O-C 3.58Å; L185-V227 WeakPolarHBondContact O-CA 3.37Å; L185-L228 PolarHBondContact O-N 3.22Å
186F98.9Very high97.6Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-86107.5164.9-58-94.5000107.6I16 W33 V35 I44 L162 C176 L177 I184 L228I16-F186 HydrophobicContact CD1-CZ 4.2Å; I16-F186 HydrophobicContact CG2-CE1 4.36Å; I16-F186 HydrophobicContact CG2-CZ 4.43Å; W33-F186 HydrophobicContact CB-CD1 3.95Å; W33-F186 HydrophobicContact CB-CE1 3.87Å; W33-F186 HydrophobicContact CD2-CD1 4.32Å; W33-F186 HydrophobicContact CD2-CE1 4.4Å; W33-F186 AromaticContact CG-CD1 3.8Å; W33-F186 HydrophobicContact CG-CD1 3.8Å; W33-F186 HydrophobicContact CG-CE1 4.04Å; V35-F186 HydrophobicContact CG2-CE1 3.81Å; V35-F186 HydrophobicContact CG2-CE2 4.1Å; V35-F186 HydrophobicContact CG2-CZ 3.44Å; V35-F186 VanDerWaalsContact CG2-CZ 3.44Å; I44-F186 HydrophobicContact CD1-CB 3.86Å; I44-F186 HydrophobicContact CD1-CD1 3.5Å; I44-F186 HydrophobicContact CD1-CD2 3.86Å; I44-F186 HydrophobicContact CD1-CE1 3.92Å; I44-F186 HydrophobicContact CD1-CE2 4.26Å; I44-F186 HydrophobicContact CD1-CG 3.46Å; I44-F186 VanDerWaalsContact CD1-CG 3.46Å; I44-F186 HydrophobicContact CD1-CZ 4.29Å; L162-F186 HydrophobicContact CD2-CE2 4.18Å; C176-F186 CarbonylContact C-O 3.49Å; C176-F186 VanDerWaalsContact CA-O 3.25Å; C176-F186 WeakPolarHBondContact CA-O 3.5Å; L177-F186 HydrophobicContact CB-CB 4.21Å; L177-F186 HydrophobicContact CB-CD2 4.44Å; L177-F186 PolarHBondContact N-O 3.43Å; L177-F186 PolarHBondContact O-N 3.24Å; I184-F186 HydrophobicContact CG2-CD2 4.16Å; I184-F186 HydrophobicContact CG2-CE2 3.77Å; I184-F186 HydrophobicContact CG2-CZ 4.05Å; F186-L228 WeakPolarHBondContact CA-O 3.21Å; F186-L228 HydrophobicContact CD1-CB 3.71Å; F186-L228 HydrophobicContact CD1-CD2 3.9Å; F186-L228 HydrophobicContact CD1-CG 4.46Å; F186-L228 HydrophobicContact CE1-CB 4.07Å; F186-L228 HydrophobicContact CE1-CD2 3.32Å; F186-L228 HydrophobicContact CE1-CG 4.32Å; F186-L228 HydrophobicContact CG-CB 4.39Å; F186-L228 HydrophobicContact CZ-CD2 3.9Å
187S98.9Very high97.4Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-98.8-11.8-165.450.80000115D189 V190 V191 V227 L228 P229S187-D189 PolarHBondContact O-N 3.37Å; S187-V190 WeakPolarHBondContact O-CB 3.4Å; S187-V190 WeakPolarHBondContact O-CG2 3.48Å; S187-V190 PolarHBondContact O-N 3.26Å; S187-V191 WeakPolarHBondContact CB-O 3.35Å; S187-V191 PolarHBondContact OG-O 2.95Å; S187-V227 VanDerWaalsContact OG-CG1 3.23Å; S187-V227 WeakPolarHBondContact OG-CG1 3.11Å; S187-L228 PolarHBondContact N-O 3.04Å; S187-L228 VanDerWaalsContact N-O 3.15Å; S187-P229 WeakPolarHBondContact OG-CA 3.36Å
188G98.6Very high97.2Very high2 Ų231.8 Ų31.82%0.02117%0.168CC..EExtended strand (participates in β ladder)trans48-130.8-166.600000109.8G230G188-G230 WeakPolarHBondContact O-CA 3.24Å; G188-G230 PolarHBondContact O-N 3.11Å
189D98.5Very high96.9Very high6 Ų635 Ų353%0.03218%0.18CC..THydrogen-bonded Turntrans-94.57.5-179.8-81.925.5000114.9H88 H170 S187 V191 Y192 Y208 H231H88-D189 IonicContact CE1-OD1 2.82Å; H88-D189 PolarHBondContact CE1-OD1 3.18Å; H88-D189 VanDerWaalsContact CE1-OD1 3.29Å; H88-D189 IonicContact NE2-OD1 3.25Å; H88-D189 PolarHBondContact NE2-OD1 2.88Å; H88-D189 IonicContact NE2-OD2 3.95Å; H170-D189 WeakPolarHBondContact CD2-CB 3.47Å; H170-D189 IonicContact CE1-OD2 3.12Å; H170-D189 WeakPolarHBondContact NE2-CB 3.35Å; H170-D189 IonicContact NE2-OD2 2.78Å; S187-D189 PolarHBondContact O-N 3.37Å; D189-V191 VanDerWaalsContact C-N 3.28Å; D189-V191 PolarHBondContact O-N 2.84Å; D189-Y192 HydrophobicContact CB-CD1 4.37Å; D189-Y192 HydrophobicContact CB-CE1 3.96Å; D189-Y208 PolarHBondContact O-OH 3.47Å; D189-H231 VanDerWaalsContact CG-CD2 3.48Å; D189-H231 IonicContact OD1-CD2 3.93Å; D189-H231 PolarHBondContact OD1-CD2 3.42Å; D189-H231 IonicContact OD1-NE2 3.71Å; D189-H231 PolarHBondContact OD1-NE2 3.35Å; D189-H231 IonicContact OD2-CD2 3.72Å; D189-H231 PolarHBondContact OD2-CD2 3.03Å; D189-H231 VanDerWaalsContact OD2-CD2 3.26Å; D189-H231 IonicContact OD2-NE2 3.29Å; D189-H231 PolarHBondContact OD2-NE2 2.97Å
190V98.6Very high96.7Very high2 Ų235.6 Ų35.61%0.01218%0.184CC..SBendtrans-60.1-44.7171.2175.10000110M167 S187 Y208 T211 L215M167-V190 HydrophobicContact CB-CB 4.35Å; M167-V190 HydrophobicContact CB-CG1 3.71Å; M167-V190 HydrophobicContact CB-CG2 3.65Å; M167-V190 HydrophobicContact CG-CG1 4.27Å; S187-V190 WeakPolarHBondContact O-CB 3.4Å; S187-V190 WeakPolarHBondContact O-CG2 3.48Å; S187-V190 PolarHBondContact O-N 3.26Å; V190-Y208 VanDerWaalsContact O-CE2 3.26Å; V190-Y208 WeakPolarHBondContact O-CE2 3.46Å; V190-Y208 PolarHBondContact O-OH 2.81Å; V190-T211 HydrophobicContact CG1-CG2 3.54Å; V190-L215 HydrophobicContact CG1-CD1 4.12Å; V190-L215 HydrophobicContact CG1-CD2 4.48Å
191V98.6Very high96.4Very high0 Ų030.5 Ų30.50%016%0.162CC..SBendtrans-155.5133.6176.361.90000111.3S187 D189 L196 L215 V227 F235 L240 L243S187-V191 WeakPolarHBondContact CB-O 3.35Å; S187-V191 PolarHBondContact OG-O 2.95Å; D189-V191 VanDerWaalsContact C-N 3.28Å; D189-V191 PolarHBondContact O-N 2.84Å; V191-L196 HydrophobicContact CB-CD2 4.49Å; V191-L196 HydrophobicContact CG2-CD2 4.25Å; V191-L215 HydrophobicContact CB-CD1 3.92Å; V191-L215 HydrophobicContact CG1-CD1 3.93Å; V191-L215 HydrophobicContact CG1-CD2 4.31Å; V191-L215 HydrophobicContact CG2-CD1 4.48Å; V191-V227 HydrophobicContact CG1-CG1 4.44Å; V191-F235 HydrophobicContact CG1-CZ 4.44Å; V191-F235 HydrophobicContact CG2-CZ 4.11Å; V191-L240 HydrophobicContact CB-CD1 4.16Å; V191-L240 HydrophobicContact CG1-CD1 3.54Å; V191-L240 HydrophobicContact CG2-CD1 3.74Å; V191-L243 HydrophobicContact CG2-CB 4.18Å; V191-L243 HydrophobicContact CG2-CD1 4.08Å
192Y98Very high96.2Very high4 Ų428.4 Ų28.42%0.01615%0.145CC..  trans-148.2167176.247.8-99.1000109.8D189 G194 S195 I197 H231 F232 L243D189-Y192 HydrophobicContact CB-CD1 4.37Å; D189-Y192 HydrophobicContact CB-CE1 3.96Å; Y192-G194 PolarHBondContact O-N 3.04Å; Y192-S195 WeakPolarHBondContact CE2-O 3.23Å; Y192-S195 PolarHBondContact OH-O 2.87Å; Y192-I197 WeakPolarHBondContact OH-CG1 3.3Å; Y192-I197 PolarHBondContact OH-N 3.23Å; Y192-H231 WeakPolarHBondContact CB-O 3.3Å; Y192-H231 HydrophobicContact CG-CB 4.45Å; Y192-F232 AromaticContact CD2-CD2 3.52Å; Y192-F232 HydrophobicContact CD2-CD2 3.52Å; Y192-F232 AromaticContact CD2-CE2 3.45Å; Y192-F232 HydrophobicContact CD2-CE2 3.45Å; Y192-F232 VanDerWaalsContact CD2-CE2 3.45Å; Y192-F232 HydrophobicContact CE2-CD2 4.34Å; Y192-F232 AromaticContact CE2-CE2 3.81Å; Y192-F232 HydrophobicContact CE2-CE2 3.81Å; Y192-F232 HydrophobicContact CG-CD2 4.08Å; Y192-F232 HydrophobicContact CG-CE2 4.35Å; Y192-L243 WeakPolarHBondContact O-CD1 3.46Å
193D94.5Very high96.2Very high58 Ų5824.4 Ų24.431%0.3113%0.13SC..SBendtrans-77.756.1-175.7-163.412.7000113.2F232 F235 R239D193-F232 HydrophobicContact CB-CB 4.33Å; D193-F235 HydrophobicContact CB-CD1 4.03Å; D193-F235 HydrophobicContact CB-CE1 4.45Å; D193-R239 IonicContact OD1-CZ 3.8Å; D193-R239 IonicContact OD1-NE 3.29Å; D193-R239 PolarHBondContact OD1-NE 3.26Å; D193-R239 IonicContact OD1-NH2 3.42Å; D193-R239 PolarHBondContact OD1-NH2 3.22Å
194G92.3Very high96Very high23 Ų2327.8 Ų27.824%0.23714%0.14CC..SBendtrans-156.9-162.2-176.300000111.6Y192Y192-G194 PolarHBondContact O-N 3.04Å
195S92.1Very high95.9Very high104 Ų10428 Ų2873%0.72714%0.142SC*.PPolyproline II helixtrans-80.8122.1175.6-63.20000110.1Y192 I197Y192-S195 WeakPolarHBondContact CE2-O 3.23Å; Y192-S195 PolarHBondContact OH-O 2.87Å; S195-I197 PolarHBondContact O-N 2.96Å
196L95.6Very high95.7Very high21 Ų2132.3 Ų32.311%0.1117%0.172CC..PPolyproline II helixtrans-67.5118.7176.7-58.1-167.9000110.1V191 Y208 Y247V191-L196 HydrophobicContact CB-CD2 4.49Å; V191-L196 HydrophobicContact CG2-CD2 4.25Å; L196-Y208 HydrophobicContact CB-CE1 4.07Å; L196-Y208 WeakPolarHBondContact CB-OH 3.31Å; L196-Y208 HydrophobicContact CD1-CE2 4.14Å; L196-Y247 HydrophobicContact CB-CD2 3.88Å; L196-Y247 HydrophobicContact CB-CE2 4.28Å; L196-Y247 HydrophobicContact CD1-CD2 4.11Å; L196-Y247 HydrophobicContact CD1-CG 4.11Å; L196-Y247 HydrophobicContact CG-CD2 4.46Å
197I94.2Very high95.7Very high35 Ų3534.9 Ų34.918%0.17919%0.186CC..PPolyproline II helixtrans-88.5121.9-173.3-69.5169000110.1H170 Y192 S195 W199 L200H170-I197 PolarHBondContact ND1-O 3.5Å; Y192-I197 WeakPolarHBondContact OH-CG1 3.3Å; Y192-I197 PolarHBondContact OH-N 3.23Å; S195-I197 PolarHBondContact O-N 2.96Å; I197-W199 HydrophobicContact CG2-CD2 4.29Å; I197-W199 HydrophobicContact CG2-CG 4.46Å; I197-W199 HydrophobicContact CG2-CZ2 4.22Å; I197-L200 HydrophobicContact CG2-CD1 3.64Å; I197-L200 HydrophobicContact CG2-CG 3.6Å
198D94.8Very high95.7Very high2 Ų235 Ų351%0.01119%0.186CC..  trans-131.810.6-178.166.98.8000114.3S203 I205 Y208 Y247 H255 T259 R263D198-S203 WeakPolarHBondContact O-CB 3.4Å; D198-I205 HydrophobicContact CB-CG1 4.4Å; D198-Y208 HydrophobicContact CB-CD1 3.79Å; D198-Y208 HydrophobicContact CB-CE1 4.22Å; D198-Y247 HydrophobicContact CB-CE2 4.41Å; D198-Y247 VanDerWaalsContact OD2-CE2 3.3Å; D198-Y247 WeakPolarHBondContact OD2-CE2 3.38Å; D198-Y247 PolarHBondContact OD2-OH 3.43Å; D198-H255 IonicContact OD1-CE1 3.32Å; D198-H255 IonicContact OD1-NE2 2.83Å; D198-H255 IonicContact OD2-CD2 2.77Å; D198-H255 IonicContact OD2-CE1 3.21Å; D198-H255 IonicContact OD2-NE2 3.77Å; D198-H255 PolarHBondContact OD2-NE2 2.83Å; D198-T259 WeakPolarHBondContact O-CG2 3.1Å; D198-T259 WeakPolarHBondContact OD1-CG2 3.45Å; D198-T259 PolarHBondContact OD1-OG1 2.65Å; D198-R263 PolarHBondContact O-NH2 3.15Å
199W93.3Very high95.6Very high69 Ų6936.4 Ų36.426%0.26119%0.194SC..  trans-105.11.9-177.554-95.8000113.3I197 T259 M262 R263 A266I197-W199 HydrophobicContact CG2-CD2 4.29Å; I197-W199 HydrophobicContact CG2-CG 4.46Å; I197-W199 HydrophobicContact CG2-CZ2 4.22Å; W199-T259 HydrophobicContact CB-CG2 3.85Å; W199-M262 HydrophobicContact CB-CB 3.78Å; W199-M262 HydrophobicContact CB-CE 4.07Å; W199-M262 HydrophobicContact CD2-CB 4.26Å; W199-M262 HydrophobicContact CE3-CB 4.36Å; W199-M262 HydrophobicContact CG-CB 4.03Å; W199-M262 HydrophobicContact CG-CE 3.93Å; W199-M262 HydrophobicContact CG-SD 4.31Å; W199-R263 WeakPolarHBondContact O-CA 3.23Å; W199-R263 WeakPolarHBondContact O-CB 3.35Å; W199-R263 WeakPolarHBondContact O-CG 3.27Å; W199-A266 HydrophobicContact CE3-CB 3.95Å; W199-A266 HydrophobicContact CZ3-CB 3.79Å
200L94.2Very high95.6Very high14 Ų1437.3 Ų37.37%0.07321%0.205CC..SBendtrans-73.7164.3175.2-69175.1000111.5V117 I197 Y202 S203 R263V117-L200 HydrophobicContact CG1-CD1 4.28Å; V117-L200 HydrophobicContact CG1-CD2 3.71Å; I197-L200 HydrophobicContact CG2-CD1 3.64Å; I197-L200 HydrophobicContact CG2-CG 3.6Å; L200-Y202 PolarHBondContact O-N 3.38Å; L200-S203 PolarHBondContact N-OG 3.44Å; L200-S203 WeakPolarHBondContact O-CB 3.22Å; L200-S203 PolarHBondContact O-N 3.22Å; L200-S203 PolarHBondContact O-OG 2.9Å; L200-R263 PolarHBondContact O-NE 3.06Å
201P91.8Very high95.6Very high4 Ų437.3 Ų37.33%0.02621%0.205CC..THydrogen-bonded Turntrans-48.9139.3168-2735.8000111F114 V117 S203 L270F114-P201 HydrophobicContact CD1-CB 4.46Å; F114-P201 HydrophobicContact CE1-CB 3.75Å; F114-P201 HydrophobicContact CE1-CG 4.08Å; F114-P201 HydrophobicContact CE2-CG 4.36Å; F114-P201 HydrophobicContact CZ-CB 3.99Å; F114-P201 HydrophobicContact CZ-CG 3.86Å; V117-P201 HydrophobicContact CG2-CG 4.48Å; P201-S203 PolarHBondContact O-N 2.51Å; P201-L270 HydrophobicContact CG-CD1 3.51Å
202Y94.1Very high95.6Very high83 Ų8337.3 Ų37.333%0.32521%0.205SC..THydrogen-bonded Turntrans63.5-2.4178.6-48.5-75.2000117.8F114 E115 R172 L200F114-Y202 HydrophobicContact CD1-CE2 4.04Å; F114-Y202 HydrophobicContact CE1-CE2 4.02Å; E115-Y202 HydrophobicContact CB-CD2 4.16Å; E115-Y202 HydrophobicContact CB-CE2 3.61Å; E115-Y202 HydrophobicContact CG-CD2 3.62Å; E115-Y202 HydrophobicContact CG-CE2 3.51Å; R172-Y202 HydrophobicContact CG-CG 4.34Å; L200-Y202 PolarHBondContact O-N 3.38Å
203S95.9Very high95.7Very high0 Ų041.9 Ų41.90%023%0.226CC..  trans-61150.4166.6-52.50000111.5G169 H170 D198 L200 P201 R263G169-S203 CarbonylContact O-C 3.54Å; G169-S203 WeakPolarHBondContact O-CA 3.45Å; G169-S203 VanDerWaalsContact O-CB 3.26Å; G169-S203 WeakPolarHBondContact O-CB 3.26Å; H170-S203 WeakPolarHBondContact O-CA 3.44Å; H170-S203 WeakPolarHBondContact O-CB 3.37Å; H170-S203 PolarHBondContact O-OG 2.74Å; D198-S203 WeakPolarHBondContact O-CB 3.4Å; L200-S203 PolarHBondContact N-OG 3.44Å; L200-S203 WeakPolarHBondContact O-CB 3.22Å; L200-S203 PolarHBondContact O-N 3.22Å; L200-S203 PolarHBondContact O-OG 2.9Å; P201-S203 PolarHBondContact O-N 2.51Å; S203-R263 PolarHBondContact O-NH1 2.93Å; S203-R263 PolarHBondContact O-NH2 3.06Å
204R95.7Very high95.9Very high141 Ų14142.9 Ų42.953%0.53223%0.226SC..  trans-144.3115.4178.6-73.5-174.8174.2-170.91.8111.4G169 S206 D207 Y208G169-R204 PolarHBondContact O-N 2.65Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 2.97Å; R204-D207 HydrophobicContact CB-CB 4.02Å; R204-D207 WeakPolarHBondContact CB-OD2 3.31Å; R204-D207 WeakPolarHBondContact CD-OD2 3.41Å; R204-D207 PolarHBondContact O-N 3.34Å; R204-Y208 PolarHBondContact O-N 3.42Å
205I95.9Very high96.2Very high21 Ų2141.8 Ų41.811%0.10821%0.214CC..Hα-helixtrans-59.6-41.7-177.4-63.5171000112D198 D207 Y208 V209 A251 K256 T259D198-I205 HydrophobicContact CB-CG1 4.4Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.89Å; I205-Y208 PolarHBondContact O-N 3.25Å; I205-V209 HydrophobicContact CG2-CG2 4.39Å; I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 2.94Å; I205-A251 HydrophobicContact CG2-CB 4.06Å; I205-K256 HydrophobicContact CD1-CB 4.22Å; I205-K256 HydrophobicContact CD1-CG 3.72Å; I205-T259 HydrophobicContact CD1-CG2 3.83Å; I205-T259 HydrophobicContact CG1-CG2 4.26Å
206S95.9Very high96.5Very high89 Ų8938.1 Ų38.162%0.62219%0.186SC*.Hα-helixtrans-58.8-44.4178.950.90000112R204 Y208 V209 G210R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 2.97Å; S206-Y208 VanDerWaalsContact C-N 3.32Å; S206-V209 PolarHBondContact O-N 2.95Å; S206-G210 PolarHBondContact O-N 3.22Å
207D98Very high96.7Very high55 Ų5542.6 Ų42.629%0.29421%0.207SC..Hα-helixtrans-69.9-39.2-178.2-56.5-3.9000109P168 R204 I205 V209 G210 T211P168-D207 HydrophobicContact CB-CB 4.11Å; P168-D207 HydrophobicContact CG-CB 4.11Å; P168-D207 CarbonylContact O-C 3.58Å; R204-D207 HydrophobicContact CB-CB 4.02Å; R204-D207 WeakPolarHBondContact CB-OD2 3.31Å; R204-D207 WeakPolarHBondContact CD-OD2 3.41Å; R204-D207 PolarHBondContact O-N 3.34Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.89Å; D207-V209 PolarHBondContact O-N 3.18Å; D207-G210 PolarHBondContact O-N 3.05Å; D207-T211 PolarHBondContact O-N 3.28Å; D207-T211 PolarHBondContact O-OG1 3.13Å
208Y98.2Very high96.9Very high1 Ų141.5 Ų41.50%0.00420%0.201CC..Hα-helixtrans-66.6-37.4178-145.5161.7000112.7H170 D189 V190 L196 D198 R204 I205 S206 T211 C212 Y247H170-Y208 HydrophobicContact CB-CE1 4.14Å; D189-Y208 PolarHBondContact O-OH 3.47Å; V190-Y208 VanDerWaalsContact O-CE2 3.26Å; V190-Y208 WeakPolarHBondContact O-CE2 3.46Å; V190-Y208 PolarHBondContact O-OH 2.81Å; L196-Y208 HydrophobicContact CB-CE1 4.07Å; L196-Y208 WeakPolarHBondContact CB-OH 3.31Å; L196-Y208 HydrophobicContact CD1-CE2 4.14Å; D198-Y208 HydrophobicContact CB-CD1 3.79Å; D198-Y208 HydrophobicContact CB-CE1 4.22Å; R204-Y208 PolarHBondContact O-N 3.42Å; I205-Y208 PolarHBondContact O-N 3.25Å; S206-Y208 VanDerWaalsContact C-N 3.32Å; Y208-T211 HydrophobicContact CD2-CG2 4.16Å; Y208-T211 HydrophobicContact CE2-CG2 4.36Å; Y208-T211 WeakPolarHBondContact O-CB 3.48Å; Y208-T211 PolarHBondContact O-N 2.81Å; Y208-C212 PolarHBondContact O-N 2.95Å; Y208-C212 PolarHBondContact O-SG 3.48Å; Y208-C212 VanDerWaalsContact O-SG 3.37Å; Y208-Y247 WeakPolarHBondContact CB-OH 3.46Å; Y208-Y247 HydrophobicContact CD1-CE1 4.26Å; Y208-Y247 HydrophobicContact CD1-CE2 4.08Å; Y208-Y247 AromaticContact CD1-CZ 3.69Å; Y208-Y247 HydrophobicContact CD2-CE1 4.37Å; Y208-Y247 HydrophobicContact CE1-CE2 4.4Å; Y208-Y247 AromaticContact CG-CE1 3.85Å; Y208-Y247 HydrophobicContact CG-CE1 3.85Å; Y208-Y247 HydrophobicContact CG-CE2 4.45Å; Y208-Y247 AromaticContact CG-CZ 3.76Å
209V98.3Very high97.1Very high32 Ų3242.6 Ų42.619%0.19421%0.208CC..Hα-helixtrans-59-49171.81680000110.4I205 S206 D207 T211 C212 E213 Y247 I248 A251I205-V209 HydrophobicContact CG2-CG2 4.39Å; I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 2.94Å; S206-V209 PolarHBondContact O-N 2.95Å; D207-V209 PolarHBondContact O-N 3.18Å; V209-T211 VanDerWaalsContact C-N 3.3Å; V209-T211 PolarHBondContact O-N 3.37Å; V209-C212 PolarHBondContact O-N 3.05Å; V209-C212 VanDerWaalsContact O-N 3.11Å; V209-E213 WeakPolarHBondContact O-CG 3.39Å; V209-E213 PolarHBondContact O-N 2.85Å; V209-Y247 HydrophobicContact CG2-CE1 4.07Å; V209-I248 HydrophobicContact CG1-CG1 4.4Å; V209-A251 HydrophobicContact CG2-CB 3.69Å
210G98.5Very high97.3Very high25 Ų2544.7 Ų44.726%0.25822%0.224SC..Hα-helixtrans-62.1-36.5176.600000113.2S206 D207 E213 R214S206-G210 PolarHBondContact O-N 3.22Å; D207-G210 PolarHBondContact O-N 3.05Å; G210-E213 PolarHBondContact O-N 3.16Å; G210-R214 WeakPolarHBondContact O-CG 3.33Å; G210-R214 PolarHBondContact O-N 2.86Å
211T98.8Very high97.5Very high2 Ų252.9 Ų52.91%0.01225%0.254CS..Hα-helixtrans-62.8-44.4171.4-76.50000111.9M167 P168 V190 D207 Y208 V209 E213 R214 L215M167-T211 WeakPolarHBondContact CA-OG1 3.31Å; M167-T211 HydrophobicContact CB-CG2 3.78Å; M167-T211 HydrophobicContact CG-CG2 4.38Å; M167-T211 HydrophobicContact SD-CG2 4.14Å; P168-T211 WeakPolarHBondContact O-CB 3.36Å; P168-T211 PolarHBondContact O-OG1 2.83Å; V190-T211 HydrophobicContact CG1-CG2 3.54Å; D207-T211 PolarHBondContact O-N 3.28Å; D207-T211 PolarHBondContact O-OG1 3.13Å; Y208-T211 HydrophobicContact CD2-CG2 4.16Å; Y208-T211 HydrophobicContact CE2-CG2 4.36Å; Y208-T211 WeakPolarHBondContact O-CB 3.48Å; Y208-T211 PolarHBondContact O-N 2.81Å; V209-T211 VanDerWaalsContact C-N 3.3Å; V209-T211 PolarHBondContact O-N 3.37Å; T211-E213 VanDerWaalsContact C-N 3.34Å; T211-E213 PolarHBondContact O-N 2.74Å; T211-R214 PolarHBondContact O-N 3.39Å; T211-L215 HydrophobicContact CG2-CD1 4.42Å; T211-L215 WeakPolarHBondContact O-CG 3.19Å; T211-L215 PolarHBondContact O-N 3.22Å
212C98.8Very high97.8Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-64.2-36.9176.4-720000112.5Y208 V209 L215 I216 A244 Y247 I248Y208-C212 PolarHBondContact O-N 2.95Å; Y208-C212 PolarHBondContact O-SG 3.48Å; Y208-C212 VanDerWaalsContact O-SG 3.37Å; V209-C212 PolarHBondContact O-N 3.05Å; V209-C212 VanDerWaalsContact O-N 3.11Å; C212-L215 PolarHBondContact O-N 3.44Å; C212-I216 WeakPolarHBondContact O-CG1 3.39Å; C212-I216 PolarHBondContact O-N 3.15Å; C212-A244 HydrophobicContact CB-CB 3.97Å; C212-Y247 HydrophobicContact CB-CD1 4.45Å; C212-Y247 VanDerWaalsContact SG-CD1 3.53Å; C212-I248 HydrophobicContact CB-CD1 3.77Å; C212-I248 HydrophobicContact CB-CG1 3.68Å
213E98.8Very high98Very high100 Ų10052.5 Ų52.547%0.46727%0.265SS..Hα-helixtrans-60.7-47.3172.8-69.9170.3163.100110.8V209 G210 T211 L215 I216 E217 I248V209-E213 WeakPolarHBondContact O-CG 3.39Å; V209-E213 PolarHBondContact O-N 2.85Å; G210-E213 PolarHBondContact O-N 3.16Å; T211-E213 VanDerWaalsContact C-N 3.34Å; T211-E213 PolarHBondContact O-N 2.74Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.35Å; E213-I216 WeakPolarHBondContact O-CB 3.23Å; E213-I216 PolarHBondContact O-N 2.98Å; E213-I216 VanDerWaalsContact O-N 3.13Å; E213-E217 WeakPolarHBondContact O-CG 3.32Å; E213-E217 PolarHBondContact O-N 2.9Å; E213-I248 HydrophobicContact CG-CD1 3.84Å
214R98.7Very high98.2Very high79 Ų7952.7 Ų52.730%0.29827%0.266SS..Hα-helixtrans-61.9-37175.3-70.2173.269.6-166.91.9113.1D151 H166 M167 G210 T211 I216 E217 L218D151-R214 IonicContact OD1-NH2 3.5Å; D151-R214 PolarHBondContact OD1-NH2 3.17Å; D151-R214 IonicContact OD2-NH2 3.68Å; H166-R214 PolarHBondContact O-NH1 3.24Å; M167-R214 HydrophobicContact CE-CB 4.01Å; M167-R214 HydrophobicContact SD-CB 4.18Å; G210-R214 WeakPolarHBondContact O-CG 3.33Å; G210-R214 PolarHBondContact O-N 2.86Å; T211-R214 PolarHBondContact O-N 3.39Å; R214-I216 VanDerWaalsContact C-N 3.34Å; R214-E217 PolarHBondContact O-N 3.37Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.01Å; R214-L218 VanDerWaalsContact O-N 3.08Å
215L98.8Very high98.3Very high0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-63.9-39.3174.5-70.4173.4000111.9L185 V190 V191 T211 C212 E213 L218 V219 L240 A244L185-L215 HydrophobicContact CD2-CD2 3.88Å; V190-L215 HydrophobicContact CG1-CD1 4.12Å; V190-L215 HydrophobicContact CG1-CD2 4.48Å; V191-L215 HydrophobicContact CB-CD1 3.92Å; V191-L215 HydrophobicContact CG1-CD1 3.93Å; V191-L215 HydrophobicContact CG1-CD2 4.31Å; V191-L215 HydrophobicContact CG2-CD1 4.48Å; T211-L215 HydrophobicContact CG2-CD1 4.42Å; T211-L215 WeakPolarHBondContact O-CG 3.19Å; T211-L215 PolarHBondContact O-N 3.22Å; C212-L215 PolarHBondContact O-N 3.44Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.35Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 PolarHBondContact O-N 3.11Å; L215-V219 PolarHBondContact O-N 2.78Å; L215-L240 HydrophobicContact CB-CD1 4.3Å; L215-L240 HydrophobicContact CD1-CD1 4.16Å; L215-L240 HydrophobicContact CD2-CD1 4.25Å; L215-L240 HydrophobicContact CG-CD1 4.48Å; L215-A244 HydrophobicContact CB-CB 4.29Å
216I98.8Very high98.4Very high27 Ų2754.1 Ų54.114%0.13828%0.277CS..Hα-helixtrans-63.2-46174.9-71.9165.7000110.1C212 E213 R214 L218 V219 D220 F241 A244 I248C212-I216 WeakPolarHBondContact O-CG1 3.39Å; C212-I216 PolarHBondContact O-N 3.15Å; E213-I216 WeakPolarHBondContact O-CB 3.23Å; E213-I216 PolarHBondContact O-N 2.98Å; E213-I216 VanDerWaalsContact O-N 3.13Å; R214-I216 VanDerWaalsContact C-N 3.34Å; I216-L218 VanDerWaalsContact C-N 3.28Å; I216-L218 PolarHBondContact O-N 2.91Å; I216-V219 WeakPolarHBondContact O-CB 3.39Å; I216-V219 PolarHBondContact O-N 2.87Å; I216-D220 WeakPolarHBondContact CG2-OD2 3.32Å; I216-D220 PolarHBondContact O-N 3.27Å; I216-F241 HydrophobicContact CG1-CD2 4.27Å; I216-F241 HydrophobicContact CG1-CE2 4.44Å; I216-F241 HydrophobicContact CG2-CD2 3.98Å; I216-F241 HydrophobicContact CG2-CE2 3.61Å; I216-F241 HydrophobicContact CG2-CZ 4.49Å; I216-A244 HydrophobicContact CD1-CB 4.16Å; I216-A244 HydrophobicContact CG1-CB 3.83Å; I216-I248 HydrophobicContact CD1-CD1 3.72Å
217E98.6Very high98.6Very high116 Ų11649.9 Ų49.954%0.54225%0.247SC..Hα-helixtrans-58.3-37.8176.9-69.4176.117900112.9E213 R214 V219 R221E213-E217 WeakPolarHBondContact O-CG 3.32Å; E213-E217 PolarHBondContact O-N 2.9Å; R214-E217 PolarHBondContact O-N 3.37Å; E217-V219 VanDerWaalsContact C-N 3.33Å; E217-V219 PolarHBondContact O-N 3.42Å; E217-R221 VanDerWaalsContact O-CB 3.32Å; E217-R221 WeakPolarHBondContact O-CB 2.98Å; E217-R221 WeakPolarHBondContact O-CG 3.23Å; E217-R221 PolarHBondContact O-N 3.26Å
218L98.6Very high98.6Very high11 Ų1147.3 Ų47.36%0.05823%0.234CC..Hα-helixtrans-62.1-40.6174.6-72.3177.3000112.1M165 M167 L185 R214 L215 I216 G222 L223 V224M165-L218 HydrophobicContact CE-CD1 3.95Å; M165-L218 HydrophobicContact CE-CD2 3.98Å; M165-L218 HydrophobicContact CE-CG 4.33Å; M165-L218 HydrophobicContact SD-CD1 4.01Å; M167-L218 HydrophobicContact CE-CD1 4.41Å; L185-L218 HydrophobicContact CD1-CD1 4.49Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.01Å; R214-L218 VanDerWaalsContact O-N 3.08Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 PolarHBondContact O-N 3.11Å; I216-L218 VanDerWaalsContact C-N 3.28Å; I216-L218 PolarHBondContact O-N 2.91Å; L218-G222 PolarHBondContact O-N 2.69Å; L218-L223 HydrophobicContact CD2-CB 4.15Å; L218-L223 HydrophobicContact CD2-CD1 3.91Å; L218-L223 WeakPolarHBondContact O-CB 3.07Å; L218-L223 PolarHBondContact O-N 2.88Å; L218-V224 HydrophobicContact CB-CG2 3.99Å; L218-V224 HydrophobicContact CD1-CG2 4.15Å
219V98.6Very high98.6Very high26 Ų2647.2 Ų47.216%0.15823%0.234CC..Hα-helixtrans-68.7-48.8177.21750000110.6L215 I216 E217 R221 G222 A237 L240 F241L215-V219 PolarHBondContact O-N 2.78Å; I216-V219 WeakPolarHBondContact O-CB 3.39Å; I216-V219 PolarHBondContact O-N 2.87Å; E217-V219 VanDerWaalsContact C-N 3.33Å; E217-V219 PolarHBondContact O-N 3.42Å; V219-R221 PolarHBondContact O-N 2.93Å; V219-G222 WeakPolarHBondContact O-CA 3.3Å; V219-G222 PolarHBondContact O-N 3.31Å; V219-A237 HydrophobicContact CG1-CB 4.08Å; V219-A237 HydrophobicContact CG2-CB 4.29Å; V219-L240 HydrophobicContact CG2-CB 4.14Å; V219-L240 HydrophobicContact CG2-CD2 3.51Å; V219-L240 HydrophobicContact CG2-CG 3.8Å; V219-F241 HydrophobicContact CB-CD2 4.45Å; V219-F241 HydrophobicContact CG1-CB 4.15Å; V219-F241 HydrophobicContact CG1-CD2 4.23Å; V219-F241 HydrophobicContact CG2-CB 4.49Å
220D98.5Very high98.6Very high113 Ų11345.7 Ų45.760%0.60422%0.224SC*.Hα-helixtrans-61.7-33-177.6-72.1-14.5000112.2I216 G222I216-D220 WeakPolarHBondContact CG2-OD2 3.32Å; I216-D220 PolarHBondContact O-N 3.27Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 3.22Å
221R98.4Very high98.6Very high185 Ų18545 Ų4570%0.69821%0.214SC*.THydrogen-bonded Turntrans-82.80.7175.2-65.8179.166.7-158.1-1.1113.9E217 V219 L223E217-R221 VanDerWaalsContact O-CB 3.32Å; E217-R221 WeakPolarHBondContact O-CB 2.98Å; E217-R221 WeakPolarHBondContact O-CG 3.23Å; E217-R221 PolarHBondContact O-N 3.26Å; V219-R221 PolarHBondContact O-N 2.93Å; R221-L223 HydrophobicContact CB-CD1 3.93Å; R221-L223 HydrophobicContact CB-CG 3.84Å; R221-L223 PolarHBondContact O-N 2.6Å
222G98.3Very high98.5Very high32 Ų3249.8 Ų49.833%0.3324%0.235SC..THydrogen-bonded Turntrans6427.3-179.400000113.8K183 L218 V219 D220K183-G222 WeakPolarHBondContact CD-O 3.15Å; K183-G222 VanDerWaalsContact CE-O 3.27Å; K183-G222 WeakPolarHBondContact CE-O 3.45Å; K183-G222 PolarHBondContact NZ-O 2.77Å; L218-G222 PolarHBondContact O-N 2.69Å; V219-G222 WeakPolarHBondContact O-CA 3.3Å; V219-G222 PolarHBondContact O-N 3.31Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 3.22Å
223L98.6Very high98.4Very high48 Ų4855.6 Ų55.625%0.25127%0.266SS..  trans-88-13.1-177.1-65.6176.9000113.1H178 K183 L218 R221H178-L223 PolarHBondContact NE2-O 3.15Å; K183-L223 WeakPolarHBondContact CA-O 3.26Å; K183-L223 WeakPolarHBondContact CB-O 3.35Å; L218-L223 HydrophobicContact CD2-CB 4.15Å; L218-L223 HydrophobicContact CD2-CD1 3.91Å; L218-L223 WeakPolarHBondContact O-CB 3.07Å; L218-L223 PolarHBondContact O-N 2.88Å; R221-L223 HydrophobicContact CB-CD1 3.93Å; R221-L223 HydrophobicContact CB-CG 3.84Å; R221-L223 PolarHBondContact O-N 2.6Å
224V98.6Very high98.4Very high3 Ų353.5 Ų53.52%0.01826%0.26CS..  trans-131.6128.6177.41770000108.9L185 L218 V227 A237 L240L185-V224 HydrophobicContact CB-CG1 3.98Å; L185-V224 HydrophobicContact CB-CG2 4.11Å; L185-V224 HydrophobicContact CD2-CG2 4.49Å; L218-V224 HydrophobicContact CB-CG2 3.99Å; L218-V224 HydrophobicContact CD1-CG2 4.15Å; V224-V227 HydrophobicContact CG1-CG2 4Å; V224-A237 VanDerWaalsContact O-CB 3.24Å; V224-A237 WeakPolarHBondContact O-CB 3.43Å; V224-L240 HydrophobicContact CB-CD2 4.42Å; V224-L240 HydrophobicContact CG1-CD2 3.97Å
225E98.3Very high98.4Very high116 Ų11650.6 Ų50.654%0.54225%0.25SC..SBendtrans-113.2-32.1171.9-75.9178.2-164.800111.3K183 G236 A237K183-E225 HydrophobicContact CB-CB 4.11Å; K183-E225 HydrophobicContact CB-CG 4.13Å; K183-E225 HydrophobicContact CD-CG 3.71Å; K183-E225 WeakPolarHBondContact CD-OE1 3.39Å; K183-E225 IonicContact NZ-OE1 3.05Å; K183-E225 PolarHBondContact NZ-OE1 2.79Å; K183-E225 PolarHBondContact O-N 3.49Å; E225-G236 VanDerWaalsContact O-CA 3.32Å; E225-G236 WeakPolarHBondContact O-CA 3.47Å; E225-A237 PolarHBondContact O-N 2.7Å
226K98.7Very high98.4Very high76 Ų7652.1 Ų52.133%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-134.9136.9-176.6-168.5178.4-175.3176.80111.8K183 I184 L185 L228K183-K226 PolarHBondContact O-N 2.87Å; I184-K226 WeakPolarHBondContact CA-O 3.44Å; I184-K226 HydrophobicContact CG1-CB 4.38Å; L185-K226 PolarHBondContact N-O 2.82Å; K226-L228 HydrophobicContact CD-CD1 3.92Å; K226-L228 HydrophobicContact CG-CD1 3.78Å
227V98.9Very high98.3Very high0 Ų051.9 Ų51.90%027%0.267CS..EExtended strand (participates in β ladder)trans-112.8130.6176.3-173.90000110.1L185 S187 V191 V224 P229 T234 F235 L240L185-V227 HydrophobicContact CB-CG2 4.48Å; L185-V227 CarbonylContact O-C 3.58Å; L185-V227 WeakPolarHBondContact O-CA 3.37Å; S187-V227 VanDerWaalsContact OG-CG1 3.23Å; S187-V227 WeakPolarHBondContact OG-CG1 3.11Å; V191-V227 HydrophobicContact CG1-CG1 4.44Å; V224-V227 HydrophobicContact CG1-CG2 4Å; V227-P229 WeakPolarHBondContact O-CD 3.28Å; V227-T234 VanDerWaalsContact O-CA 3.26Å; V227-T234 WeakPolarHBondContact O-CA 3.48Å; V227-T234 VanDerWaalsContact O-CB 3.31Å; V227-T234 WeakPolarHBondContact O-CB 3.32Å; V227-F235 HydrophobicContact CB-CD1 4.27Å; V227-F235 HydrophobicContact CB-CD2 4.06Å; V227-F235 HydrophobicContact CB-CE1 3.89Å; V227-F235 HydrophobicContact CB-CE2 3.7Å; V227-F235 HydrophobicContact CB-CG 4.35Å; V227-F235 HydrophobicContact CB-CZ 3.61Å; V227-F235 HydrophobicContact CG1-CE1 3.72Å; V227-F235 HydrophobicContact CG1-CE2 4Å; V227-F235 HydrophobicContact CG1-CZ 3.42Å; V227-F235 VanDerWaalsContact CG1-CZ 3.42Å; V227-F235 HydrophobicContact CG2-CD2 4.15Å; V227-F235 HydrophobicContact CG2-CE2 3.69Å; V227-F235 HydrophobicContact CG2-CZ 4.02Å; V227-F235 PolarHBondContact N-O 3.44Å; V227-F235 PolarHBondContact O-N 3.09Å; V227-L240 HydrophobicContact CG2-CB 4.21Å; V227-L240 HydrophobicContact CG2-CD1 4.44Å; V227-L240 HydrophobicContact CG2-CD2 3.94Å; V227-L240 HydrophobicContact CG2-CG 4.44Å
228L98.9Very high98.3Very high1 Ų152.7 Ų52.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-11191.7174.5-85.561.8000107.8L12 I16 W33 I184 L185 F186 S187 K226 T234L12-L228 HydrophobicContact CD2-CD2 4.17Å; L12-L228 HydrophobicContact CD2-CG 4.41Å; I16-L228 HydrophobicContact CG2-CD2 3.74Å; W33-L228 HydrophobicContact CD2-CB 4.11Å; W33-L228 HydrophobicContact CD2-CD2 4.17Å; W33-L228 HydrophobicContact CD2-CG 4.4Å; W33-L228 HydrophobicContact CE3-CB 4.35Å; W33-L228 HydrophobicContact CE3-CD2 3.71Å; W33-L228 HydrophobicContact CE3-CG 4.13Å; W33-L228 HydrophobicContact CH2-CB 4.05Å; W33-L228 HydrophobicContact CH2-CD2 4.32Å; W33-L228 HydrophobicContact CH2-CG 3.86Å; W33-L228 HydrophobicContact CZ2-CB 3.79Å; W33-L228 HydrophobicContact CZ2-CG 4.15Å; W33-L228 HydrophobicContact CZ3-CB 4.28Å; W33-L228 HydrophobicContact CZ3-CD2 3.76Å; W33-L228 HydrophobicContact CZ3-CG 3.81Å; I184-L228 HydrophobicContact CG2-CD1 3.96Å; I184-L228 HydrophobicContact CG2-CD2 4.3Å; L185-L228 PolarHBondContact O-N 3.22Å; F186-L228 WeakPolarHBondContact CA-O 3.21Å; F186-L228 HydrophobicContact CD1-CB 3.71Å; F186-L228 HydrophobicContact CD1-CD2 3.9Å; F186-L228 HydrophobicContact CD1-CG 4.46Å; F186-L228 HydrophobicContact CE1-CB 4.07Å; F186-L228 HydrophobicContact CE1-CD2 3.32Å; F186-L228 HydrophobicContact CE1-CG 4.32Å; F186-L228 HydrophobicContact CG-CB 4.39Å; F186-L228 HydrophobicContact CZ-CD2 3.9Å; S187-L228 PolarHBondContact N-O 3.04Å; S187-L228 VanDerWaalsContact N-O 3.15Å; K226-L228 HydrophobicContact CD-CD1 3.92Å; K226-L228 HydrophobicContact CG-CD1 3.78Å; L228-T234 HydrophobicContact CD1-CG2 3.97Å; L228-T234 HydrophobicContact CG-CG2 3.89Å
229P98.7Very high98.3Very high0 Ų056.2 Ų56.20%028%0.284CS..EExtended strand (participates in β ladder)trans-80.7167.2-169.731.6-36.9000114.5N31 W33 S187 V227 H231 N233 F235N31-P229 WeakPolarHBondContact CB-O 3.45Å; N31-P229 PolarHBondContact ND2-O 3.08Å; W33-P229 WeakPolarHBondContact CZ2-O 2.99Å; W33-P229 PolarHBondContact NE1-O 3.36Å; S187-P229 WeakPolarHBondContact OG-CA 3.36Å; V227-P229 WeakPolarHBondContact O-CD 3.28Å; P229-H231 VanDerWaalsContact C-N 3.31Å; P229-H231 VanDerWaalsContact CB-O 3.22Å; P229-H231 WeakPolarHBondContact CB-O 3.5Å; P229-H231 WeakPolarHBondContact CG-O 3.39Å; P229-N233 WeakPolarHBondContact CG-O 3.22Å; P229-F235 HydrophobicContact CB-CE1 4.07Å; P229-F235 HydrophobicContact CG-CD1 4.35Å; P229-F235 HydrophobicContact CG-CE1 3.98Å
230G98.1Very high98.3Very high0 Ų055 Ų550%028%0.276CS..SBendtrans-66.3-30.7168.800000112.9A30 N31 G188A30-G230 CarbonylContact C-O 3.54Å; A30-G230 VanDerWaalsContact CA-O 3.28Å; A30-G230 WeakPolarHBondContact CA-O 3.44Å; N31-G230 WeakPolarHBondContact CB-O 3.47Å; N31-G230 PolarHBondContact N-O 3.01Å; G188-G230 WeakPolarHBondContact O-CA 3.24Å; G188-G230 PolarHBondContact O-N 3.11Å
231H97.8Very high98.3Very high9 Ų953.3 Ų53.34%0.04226%0.264CS..SBendtrans-135.9165.2174.9-62.3-70.2000112.1N28 R29 D87 H88 D189 Y192 P229N28-H231 VanDerWaalsContact C-CE1 3.47Å; N28-H231 PolarHBondContact O-CE1 2.61Å; R29-H231 VanDerWaalsContact C-ND1 3.28Å; R29-H231 PolarHBondContact O-ND1 3.29Å; D87-H231 IonicContact OD2-CE1 2.96Å; D87-H231 PolarHBondContact OD2-CE1 3.01Å; D87-H231 IonicContact OD2-NE2 3.24Å; D87-H231 PolarHBondContact OD2-NE2 3.25Å; H88-H231 AromaticContact CE1-NE2 3.83Å; H88-H231 AromaticContact NE2-CE1 3.8Å; H88-H231 AromaticContact NE2-NE2 3.28Å; H88-H231 PolarHBondContact NE2-NE2 3.49Å; D189-H231 VanDerWaalsContact CG-CD2 3.48Å; D189-H231 IonicContact OD1-CD2 3.93Å; D189-H231 PolarHBondContact OD1-CD2 3.42Å; D189-H231 IonicContact OD1-NE2 3.71Å; D189-H231 PolarHBondContact OD1-NE2 3.35Å; D189-H231 IonicContact OD2-CD2 3.72Å; D189-H231 PolarHBondContact OD2-CD2 3.03Å; D189-H231 VanDerWaalsContact OD2-CD2 3.26Å; D189-H231 IonicContact OD2-NE2 3.29Å; D189-H231 PolarHBondContact OD2-NE2 2.97Å; Y192-H231 WeakPolarHBondContact CB-O 3.3Å; Y192-H231 HydrophobicContact CG-CB 4.45Å; P229-H231 VanDerWaalsContact C-N 3.31Å; P229-H231 VanDerWaalsContact CB-O 3.22Å; P229-H231 WeakPolarHBondContact CB-O 3.5Å; P229-H231 WeakPolarHBondContact CG-O 3.39Å
232F96.6Very high98.3Very high104 Ų10449.7 Ų49.746%0.45625%0.25SS..SBendtrans64.2-171.5179.2-52.2-89.5000113.7N31 Y192 D193N31-F232 PolarHBondContact ND2-O 3.42Å; Y192-F232 AromaticContact CD2-CD2 3.52Å; Y192-F232 HydrophobicContact CD2-CD2 3.52Å; Y192-F232 AromaticContact CD2-CE2 3.45Å; Y192-F232 HydrophobicContact CD2-CE2 3.45Å; Y192-F232 VanDerWaalsContact CD2-CE2 3.45Å; Y192-F232 HydrophobicContact CE2-CD2 4.34Å; Y192-F232 AromaticContact CE2-CE2 3.81Å; Y192-F232 HydrophobicContact CE2-CE2 3.81Å; Y192-F232 HydrophobicContact CG-CD2 4.08Å; Y192-F232 HydrophobicContact CG-CE2 4.35Å; D193-F232 HydrophobicContact CB-CB 4.33Å
233N97Very high98.3Very high121 Ų12149 Ų4965%0.64724%0.239SC*.  trans-78157.1-179.1-67.9-43.6000112P229P229-N233 WeakPolarHBondContact CG-O 3.22Å
234T98.3Very high98.3Very high56 Ų5646.7 Ų46.734%0.34423%0.227SC..  trans-61.9145.2168.564.50000111.2L12 W33 V227 L228L12-T234 HydrophobicContact CD2-CG2 4.14Å; W33-T234 HydrophobicContact CH2-CG2 3.73Å; W33-T234 HydrophobicContact CZ3-CG2 4.41Å; V227-T234 VanDerWaalsContact O-CA 3.26Å; V227-T234 WeakPolarHBondContact O-CA 3.48Å; V227-T234 VanDerWaalsContact O-CB 3.31Å; V227-T234 WeakPolarHBondContact O-CB 3.32Å; L228-T234 HydrophobicContact CD1-CG2 3.97Å; L228-T234 HydrophobicContact CG-CG2 3.89Å
235F98.7Very high98.3Very high18 Ų1848.2 Ų48.28%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-141.7169.7-179.558.5-84.5000112V191 D193 V227 P229 R239 L240 L243V191-F235 HydrophobicContact CG1-CZ 4.44Å; V191-F235 HydrophobicContact CG2-CZ 4.11Å; D193-F235 HydrophobicContact CB-CD1 4.03Å; D193-F235 HydrophobicContact CB-CE1 4.45Å; V227-F235 HydrophobicContact CB-CD1 4.27Å; V227-F235 HydrophobicContact CB-CD2 4.06Å; V227-F235 HydrophobicContact CB-CE1 3.89Å; V227-F235 HydrophobicContact CB-CE2 3.7Å; V227-F235 HydrophobicContact CB-CG 4.35Å; V227-F235 HydrophobicContact CB-CZ 3.61Å; V227-F235 HydrophobicContact CG1-CE1 3.72Å; V227-F235 HydrophobicContact CG1-CE2 4Å; V227-F235 HydrophobicContact CG1-CZ 3.42Å; V227-F235 VanDerWaalsContact CG1-CZ 3.42Å; V227-F235 HydrophobicContact CG2-CD2 4.15Å; V227-F235 HydrophobicContact CG2-CE2 3.69Å; V227-F235 HydrophobicContact CG2-CZ 4.02Å; V227-F235 PolarHBondContact N-O 3.44Å; V227-F235 PolarHBondContact O-N 3.09Å; P229-F235 HydrophobicContact CB-CE1 4.07Å; P229-F235 HydrophobicContact CG-CD1 4.35Å; P229-F235 HydrophobicContact CG-CE1 3.98Å; F235-R239 HydrophobicContact CB-CB 4.16Å; F235-R239 HydrophobicContact CB-CG 4.1Å; F235-R239 HydrophobicContact CD2-CB 3.83Å; F235-R239 HydrophobicContact CD2-CG 3.83Å; F235-R239 HydrophobicContact CG-CB 4.36Å; F235-R239 HydrophobicContact CG-CG 4.13Å; F235-L240 HydrophobicContact CD2-CB 4.43Å; F235-L240 HydrophobicContact CE2-CB 3.9Å; F235-L240 HydrophobicContact CE2-CD1 4.32Å; F235-L243 HydrophobicContact CD2-CD1 4.46Å; F235-L243 HydrophobicContact CE2-CD1 3.95Å; F235-L243 HydrophobicContact CZ-CD1 4.14Å
236G98.6Very high98.2Very high32 Ų3246.3 Ų46.333%0.3323%0.231SC..EExtended strand (participates in β ladder)trans-98.7172.2-176.800000114.6E225 E238 R239 L240E225-G236 VanDerWaalsContact O-CA 3.32Å; E225-G236 WeakPolarHBondContact O-CA 3.47Å; G236-E238 VanDerWaalsContact C-N 3.33Å; G236-E238 PolarHBondContact O-N 3.07Å; G236-R239 PolarHBondContact O-N 3.22Å; G236-L240 PolarHBondContact O-N 3Å
237A98.3Very high98.1Very high22 Ų2243.5 Ų43.518%0.18222%0.219CC..Hα-helixtrans-54-39.3-177.400000114.9V219 V224 E225 R239 L240 F241V219-A237 HydrophobicContact CG1-CB 4.08Å; V219-A237 HydrophobicContact CG2-CB 4.29Å; V224-A237 VanDerWaalsContact O-CB 3.24Å; V224-A237 WeakPolarHBondContact O-CB 3.43Å; E225-A237 PolarHBondContact O-N 2.7Å; A237-R239 VanDerWaalsContact C-N 3.29Å; A237-R239 PolarHBondContact O-N 3.32Å; A237-L240 WeakPolarHBondContact O-CB 3.42Å; A237-L240 PolarHBondContact O-N 3.13Å; A237-F241 PolarHBondContact O-N 2.89Å
238E98.4Very high98Very high134 Ų13446 Ų4663%0.62623%0.231SC*.Hα-helixtrans-62.2-38.6177.3-170.2-155.7141.600111.7G236 R242G236-E238 VanDerWaalsContact C-N 3.33Å; G236-E238 PolarHBondContact O-N 3.07Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.39Å; E238-R242 VanDerWaalsContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 3.8Å; E238-R242 IonicContact OE1-NE 3.5Å; E238-R242 IonicContact OE1-NH1 2.81Å; E238-R242 PolarHBondContact OE1-NH1 3.14Å; E238-R242 IonicContact OE1-NH2 3.74Å; E238-R242 PolarHBondContact OE1-NH2 2.91Å; E238-R242 VanDerWaalsContact OE1-NH2 3.12Å
239R98.6Very high97.8Very high84 Ų8450.1 Ų50.132%0.31726%0.261SS..Hα-helixtrans-71.6-39.7176.7-17857.2172.6-178.70.4110.8D193 F235 G236 A237 R242 L243D193-R239 IonicContact OD1-CZ 3.8Å; D193-R239 IonicContact OD1-NE 3.29Å; D193-R239 PolarHBondContact OD1-NE 3.26Å; D193-R239 IonicContact OD1-NH2 3.42Å; D193-R239 PolarHBondContact OD1-NH2 3.22Å; F235-R239 HydrophobicContact CB-CB 4.16Å; F235-R239 HydrophobicContact CB-CG 4.1Å; F235-R239 HydrophobicContact CD2-CB 3.83Å; F235-R239 HydrophobicContact CD2-CG 3.83Å; F235-R239 HydrophobicContact CG-CB 4.36Å; F235-R239 HydrophobicContact CG-CG 4.13Å; G236-R239 PolarHBondContact O-N 3.22Å; A237-R239 VanDerWaalsContact C-N 3.29Å; A237-R239 PolarHBondContact O-N 3.32Å; R239-R242 PolarHBondContact O-N 3.02Å; R239-L243 HydrophobicContact CG-CD1 3.93Å; R239-L243 HydrophobicContact CG-CG 4.37Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.32Å; R239-L243 PolarHBondContact O-N 3.37Å
240L98.7Very high97.5Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-54-52.7172.3175.559.7000111.5V191 L215 V219 V224 V227 F235 G236 A237 R242 L243 A244V191-L240 HydrophobicContact CB-CD1 4.16Å; V191-L240 HydrophobicContact CG1-CD1 3.54Å; V191-L240 HydrophobicContact CG2-CD1 3.74Å; L215-L240 HydrophobicContact CB-CD1 4.3Å; L215-L240 HydrophobicContact CD1-CD1 4.16Å; L215-L240 HydrophobicContact CD2-CD1 4.25Å; L215-L240 HydrophobicContact CG-CD1 4.48Å; V219-L240 HydrophobicContact CG2-CB 4.14Å; V219-L240 HydrophobicContact CG2-CD2 3.51Å; V219-L240 HydrophobicContact CG2-CG 3.8Å; V224-L240 HydrophobicContact CB-CD2 4.42Å; V224-L240 HydrophobicContact CG1-CD2 3.97Å; V227-L240 HydrophobicContact CG2-CB 4.21Å; V227-L240 HydrophobicContact CG2-CD1 4.44Å; V227-L240 HydrophobicContact CG2-CD2 3.94Å; V227-L240 HydrophobicContact CG2-CG 4.44Å; F235-L240 HydrophobicContact CD2-CB 4.43Å; F235-L240 HydrophobicContact CE2-CB 3.9Å; F235-L240 HydrophobicContact CE2-CD1 4.32Å; G236-L240 PolarHBondContact O-N 3Å; A237-L240 WeakPolarHBondContact O-CB 3.42Å; A237-L240 PolarHBondContact O-N 3.13Å; L240-R242 PolarHBondContact O-N 3Å; L240-L243 PolarHBondContact O-N 3.26Å; L240-A244 PolarHBondContact O-N 2.86Å
241F98.6Very high97Very high79 Ų7957.7 Ų57.735%0.34630%0.296SS..Hα-helixtrans-55.3-51.3178-175.1-82.2000111.2I216 V219 A237 L243 A244 S245I216-F241 HydrophobicContact CG1-CD2 4.27Å; I216-F241 HydrophobicContact CG1-CE2 4.44Å; I216-F241 HydrophobicContact CG2-CD2 3.98Å; I216-F241 HydrophobicContact CG2-CE2 3.61Å; I216-F241 HydrophobicContact CG2-CZ 4.49Å; V219-F241 HydrophobicContact CB-CD2 4.45Å; V219-F241 HydrophobicContact CG1-CB 4.15Å; V219-F241 HydrophobicContact CG1-CD2 4.23Å; V219-F241 HydrophobicContact CG2-CB 4.49Å; A237-F241 PolarHBondContact O-N 2.89Å; F241-L243 VanDerWaalsContact C-N 3.35Å; F241-L243 PolarHBondContact O-N 3.41Å; F241-A244 PolarHBondContact O-N 2.77Å; F241-S245 WeakPolarHBondContact CE1-OG 3.48Å; F241-S245 WeakPolarHBondContact O-CB 3.36Å; F241-S245 PolarHBondContact O-N 3.19Å; F241-S245 PolarHBondContact O-OG 2.98Å
242R98.4Very high96.3Very high109 Ų10959.1 Ų59.141%0.41131%0.313SS..Hα-helixtrans-59.1-42.9179.6-74.8-173.7-65.6-154-6.7112.9E238 R239 L240 N246E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.39Å; E238-R242 VanDerWaalsContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 3.8Å; E238-R242 IonicContact OE1-NE 3.5Å; E238-R242 IonicContact OE1-NH1 2.81Å; E238-R242 PolarHBondContact OE1-NH1 3.14Å; E238-R242 IonicContact OE1-NH2 3.74Å; E238-R242 PolarHBondContact OE1-NH2 2.91Å; E238-R242 VanDerWaalsContact OE1-NH2 3.12Å; R239-R242 PolarHBondContact O-N 3.02Å; L240-R242 PolarHBondContact O-N 3Å; R242-N246 WeakPolarHBondContact O-CB 3.44Å; R242-N246 PolarHBondContact O-N 3.13Å; R242-N246 PolarHBondContact O-ND2 3.47Å
243L98.4Very high95.4Very high16 Ų1660.7 Ų60.78%0.08433%0.325CS..Hα-helixtrans-63.2-47.8179.3-71164.5000111V191 Y192 F235 R239 L240 F241 N246 Y247V191-L243 HydrophobicContact CG2-CB 4.18Å; V191-L243 HydrophobicContact CG2-CD1 4.08Å; Y192-L243 WeakPolarHBondContact O-CD1 3.46Å; F235-L243 HydrophobicContact CD2-CD1 4.46Å; F235-L243 HydrophobicContact CE2-CD1 3.95Å; F235-L243 HydrophobicContact CZ-CD1 4.14Å; R239-L243 HydrophobicContact CG-CD1 3.93Å; R239-L243 HydrophobicContact CG-CG 4.37Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.32Å; R239-L243 PolarHBondContact O-N 3.37Å; L240-L243 PolarHBondContact O-N 3.26Å; F241-L243 VanDerWaalsContact C-N 3.35Å; F241-L243 PolarHBondContact O-N 3.41Å; L243-N246 PolarHBondContact O-N 3.12Å; L243-Y247 PolarHBondContact O-N 3.13Å
244A98.3Very high94.3Very high0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-63.9-48.6179.100000112.3C212 L215 I216 L240 F241 N246 Y247 I248C212-A244 HydrophobicContact CB-CB 3.97Å; L215-A244 HydrophobicContact CB-CB 4.29Å; I216-A244 HydrophobicContact CD1-CB 4.16Å; I216-A244 HydrophobicContact CG1-CB 3.83Å; L240-A244 PolarHBondContact O-N 2.86Å; F241-A244 PolarHBondContact O-N 2.77Å; A244-N246 VanDerWaalsContact C-N 3.32Å; A244-N246 PolarHBondContact O-N 2.96Å; A244-Y247 PolarHBondContact O-N 3.11Å; A244-I248 WeakPolarHBondContact O-CG1 3.24Å; A244-I248 PolarHBondContact O-N 3.26Å; A244-I248 VanDerWaalsContact O-N 3.09Å
245S97.9Very high93.6Very high35 Ų3560 Ų6025%0.24532%0.324CS..Hα-helixtrans-63-38.3177.6-52.70000112.3F241 Y247 I248 S249F241-S245 WeakPolarHBondContact CE1-OG 3.48Å; F241-S245 WeakPolarHBondContact O-CB 3.36Å; F241-S245 PolarHBondContact O-N 3.19Å; F241-S245 PolarHBondContact O-OG 2.98Å; S245-Y247 VanDerWaalsContact C-N 3.34Å; S245-Y247 PolarHBondContact O-N 2.88Å; S245-I248 PolarHBondContact O-N 3.07Å; S245-S249 PolarHBondContact O-N 3.04Å; S245-S249 PolarHBondContact O-OG 3.41Å; S245-S249 VanDerWaalsContact O-OG 3.13Å
246N97.1Very high92.8Very high77 Ų7764.7 Ų64.741%0.41235%0.345SS..Hα-helixtrans-65.3-37.2176.2-76.3-23.1000112.1R242 L243 A244 S249 K250R242-N246 WeakPolarHBondContact O-CB 3.44Å; R242-N246 PolarHBondContact O-N 3.13Å; R242-N246 PolarHBondContact O-ND2 3.47Å; L243-N246 PolarHBondContact O-N 3.12Å; A244-N246 VanDerWaalsContact C-N 3.32Å; A244-N246 PolarHBondContact O-N 2.96Å; N246-S249 WeakPolarHBondContact CA-OG 3.29Å; N246-S249 PolarHBondContact O-OG 3.29Å; N246-K250 WeakPolarHBondContact O-CB 3.33Å; N246-K250 VanDerWaalsContact O-CG 3.3Å; N246-K250 WeakPolarHBondContact O-CG 3.29Å; N246-K250 PolarHBondContact O-N 2.91Å
247Y97Very high91.8Very high17 Ų1767.8 Ų67.87%0.06736%0.357CS..Hα-helixtrans-63.9-50.8174.9-177.5-93.4000111.1L196 D198 Y208 V209 C212 L243 A244 S245 S249 K250 A251L196-Y247 HydrophobicContact CB-CD2 3.88Å; L196-Y247 HydrophobicContact CB-CE2 4.28Å; L196-Y247 HydrophobicContact CD1-CD2 4.11Å; L196-Y247 HydrophobicContact CD1-CG 4.11Å; L196-Y247 HydrophobicContact CG-CD2 4.46Å; D198-Y247 HydrophobicContact CB-CE2 4.41Å; D198-Y247 VanDerWaalsContact OD2-CE2 3.3Å; D198-Y247 WeakPolarHBondContact OD2-CE2 3.38Å; D198-Y247 PolarHBondContact OD2-OH 3.43Å; Y208-Y247 WeakPolarHBondContact CB-OH 3.46Å; Y208-Y247 HydrophobicContact CD1-CE1 4.26Å; Y208-Y247 HydrophobicContact CD1-CE2 4.08Å; Y208-Y247 AromaticContact CD1-CZ 3.69Å; Y208-Y247 HydrophobicContact CD2-CE1 4.37Å; Y208-Y247 HydrophobicContact CE1-CE2 4.4Å; Y208-Y247 AromaticContact CG-CE1 3.85Å; Y208-Y247 HydrophobicContact CG-CE1 3.85Å; Y208-Y247 HydrophobicContact CG-CE2 4.45Å; Y208-Y247 AromaticContact CG-CZ 3.76Å; V209-Y247 HydrophobicContact CG2-CE1 4.07Å; C212-Y247 HydrophobicContact CB-CD1 4.45Å; C212-Y247 VanDerWaalsContact SG-CD1 3.53Å; L243-Y247 PolarHBondContact O-N 3.13Å; A244-Y247 PolarHBondContact O-N 3.11Å; S245-Y247 VanDerWaalsContact C-N 3.34Å; S245-Y247 PolarHBondContact O-N 2.88Å; Y247-S249 PolarHBondContact O-N 2.76Å; Y247-K250 PolarHBondContact O-N 3.05Å; Y247-K250 VanDerWaalsContact O-N 3.08Å; Y247-A251 PolarHBondContact O-N 3.36Å
248I96.4Very high91.1Very high51 Ų5169.3 Ų69.326%0.26237%0.367SS..Hα-helixtrans-55.9-49.2179.4-64.8168.9000111V209 C212 E213 I216 A244 S245 K250 A251V209-I248 HydrophobicContact CG1-CG1 4.4Å; C212-I248 HydrophobicContact CB-CD1 3.77Å; C212-I248 HydrophobicContact CB-CG1 3.68Å; E213-I248 HydrophobicContact CG-CD1 3.84Å; I216-I248 HydrophobicContact CD1-CD1 3.72Å; A244-I248 WeakPolarHBondContact O-CG1 3.24Å; A244-I248 PolarHBondContact O-N 3.26Å; A244-I248 VanDerWaalsContact O-N 3.09Å; S245-I248 PolarHBondContact O-N 3.07Å; I248-K250 PolarHBondContact O-N 3.47Å; I248-A251 PolarHBondContact O-N 2.85Å
249S94.4Very high90.3Very high89 Ų8963 Ų6362%0.62234%0.338SS*.Hα-helixtrans-63.3-25.5-179.3610000114S245 N246 Y247S245-S249 PolarHBondContact O-N 3.04Å; S245-S249 PolarHBondContact O-OG 3.41Å; S245-S249 VanDerWaalsContact O-OG 3.13Å; N246-S249 WeakPolarHBondContact CA-OG 3.29Å; N246-S249 PolarHBondContact O-OG 3.29Å; Y247-S249 PolarHBondContact O-N 2.76Å
250K92.1Very high89.5Confident144 Ų14466.1 Ų66.163%0.62635%0.353SS*.Hα-helixtrans-93.5-12.5179.4-70.3177.4-179.1179.80113.8N246 Y247 I248 G252 H255N246-K250 WeakPolarHBondContact O-CB 3.33Å; N246-K250 VanDerWaalsContact O-CG 3.3Å; N246-K250 WeakPolarHBondContact O-CG 3.29Å; N246-K250 PolarHBondContact O-N 2.91Å; Y247-K250 PolarHBondContact O-N 3.05Å; Y247-K250 VanDerWaalsContact O-N 3.08Å; I248-K250 PolarHBondContact O-N 3.47Å; K250-G252 PolarHBondContact O-N 3.47Å; K250-H255 WeakPolarHBondContact O-CB 3.38Å
251A88.3Confident88.8Confident14 Ų1468.5 Ų68.512%0.11637%0.373CS..  trans-72.333.9-176.100000114.9I205 V209 Y247 I248 K256I205-A251 HydrophobicContact CG2-CB 4.06Å; V209-A251 HydrophobicContact CG2-CB 3.69Å; Y247-A251 PolarHBondContact O-N 3.36Å; I248-A251 PolarHBondContact O-N 2.85Å; A251-K256 WeakPolarHBondContact O-CE 3.42Å
252G81.3Confident88.3Confident39 Ų3968.2 Ų68.240%0.40237%0.374SS..SBendtrans-81.2-174.617800000114.3K250 C254 H255 K256K250-G252 PolarHBondContact O-N 3.47Å; G252-C254 PolarHBondContact O-N 3.11Å; G252-H255 PolarHBondContact O-N 2.6Å; G252-K256 WeakPolarHBondContact O-CG 3.5Å; G252-K256 PolarHBondContact O-N 2.92Å; G252-K256 VanDerWaalsContact O-N 3.11Å
253I78.6Confident88Confident138 Ų13866 Ų6671%0.70837%0.365SS*.Hα-helixtrans-59.2-46-173.4-64.5166.5000112.3H255 K256 V257I253-H255 VanDerWaalsContact C-N 3.28Å; I253-H255 PolarHBondContact O-N 2.83Å; I253-K256 PolarHBondContact O-N 3.26Å; I253-K256 VanDerWaalsContact O-N 3.15Å; I253-V257 HydrophobicContact CG2-CG2 4.45Å; I253-V257 WeakPolarHBondContact O-CG2 3.46Å; I253-V257 PolarHBondContact O-N 3.05Å
254C73.9Confident87.5Confident110 Ų11068 Ų6874%0.74338%0.381SS*.Hα-helixtrans-58.8-41.2-179.8-64.70000112.1G252 V257 S258G252-C254 PolarHBondContact O-N 3.11Å; C254-V257 PolarHBondContact O-N 3.45Å; C254-S258 PolarHBondContact O-N 3.44Å; C254-S258 PolarHBondContact O-OG 2.89Å
255H84.6Confident87Confident51 Ų5173.9 Ų73.924%0.23641%0.412CS..Hα-helixtrans-64.8-42.8176.7-175.365.6000111.7D198 K250 G252 I253 V257 S258 T259D198-H255 IonicContact OD1-CE1 3.32Å; D198-H255 IonicContact OD1-NE2 2.83Å; D198-H255 IonicContact OD2-CD2 2.77Å; D198-H255 IonicContact OD2-CE1 3.21Å; D198-H255 IonicContact OD2-NE2 3.77Å; D198-H255 PolarHBondContact OD2-NE2 2.83Å; K250-H255 WeakPolarHBondContact O-CB 3.38Å; G252-H255 PolarHBondContact O-N 2.6Å; I253-H255 VanDerWaalsContact C-N 3.28Å; I253-H255 PolarHBondContact O-N 2.83Å; H255-V257 VanDerWaalsContact C-N 3.3Å; H255-V257 PolarHBondContact O-N 3.42Å; H255-S258 WeakPolarHBondContact CA-OG 3.33Å; H255-S258 PolarHBondContact O-N 3.06Å; H255-S258 PolarHBondContact O-OG 2.93Å; H255-T259 PolarHBondContact CE1-OG1 3.29Å; H255-T259 PolarHBondContact NE2-OG1 3.17Å; H255-T259 VanDerWaalsContact O-CB 3.26Å; H255-T259 WeakPolarHBondContact O-CB 3Å; H255-T259 PolarHBondContact O-N 3.45Å; H255-T259 PolarHBondContact O-OG1 2.93Å; H255-T259 VanDerWaalsContact O-OG1 3.1Å
256K81.3Confident86.6Confident117 Ų11772.5 Ų72.551%0.50940%0.402SS..Hα-helixtrans-59.5-41.4176.3-66.7177.1-177.4-177.80112.2I205 A251 G252 I253 F260I205-K256 HydrophobicContact CD1-CB 4.22Å; I205-K256 HydrophobicContact CD1-CG 3.72Å; A251-K256 WeakPolarHBondContact O-CE 3.42Å; G252-K256 WeakPolarHBondContact O-CG 3.5Å; G252-K256 PolarHBondContact O-N 2.92Å; G252-K256 VanDerWaalsContact O-N 3.11Å; I253-K256 PolarHBondContact O-N 3.26Å; I253-K256 VanDerWaalsContact O-N 3.15Å; K256-F260 WeakPolarHBondContact O-CB 3.31Å; K256-F260 PolarHBondContact O-N 3.16Å
257V78.2Confident86.2Confident98 Ų9870 Ų7059%0.59439%0.391SS*.Hα-helixtrans-67.2-46.9178.2175.10000111.2I253 C254 H255 F260 A261I253-V257 HydrophobicContact CG2-CG2 4.45Å; I253-V257 WeakPolarHBondContact O-CG2 3.46Å; I253-V257 PolarHBondContact O-N 3.05Å; C254-V257 PolarHBondContact O-N 3.45Å; H255-V257 VanDerWaalsContact C-N 3.3Å; H255-V257 PolarHBondContact O-N 3.42Å; V257-F260 PolarHBondContact O-N 3.25Å; V257-A261 PolarHBondContact O-N 3.04Å; V257-A261 VanDerWaalsContact O-N 3.16Å
258S82.1Confident85.9Confident54 Ų5474.4 Ų74.438%0.37842%0.415SS..Hα-helixtrans-64.9-42.6178.355.40000112.1C254 H255 F260 A261 M262C254-S258 PolarHBondContact O-N 3.44Å; C254-S258 PolarHBondContact O-OG 2.89Å; H255-S258 WeakPolarHBondContact CA-OG 3.33Å; H255-S258 PolarHBondContact O-N 3.06Å; H255-S258 PolarHBondContact O-OG 2.93Å; S258-F260 VanDerWaalsContact C-N 3.33Å; S258-F260 PolarHBondContact O-N 3.25Å; S258-A261 PolarHBondContact O-N 2.85Å; S258-M262 WeakPolarHBondContact O-CG 3.24Å; S258-M262 PolarHBondContact O-N 2.98Å
259T81.7Confident85.5Confident2 Ų273.6 Ų73.61%0.01242%0.416CS..Hα-helixtrans-60.2-40.3175.6-69.80000111.8D198 W199 I205 H255 M262 R263D198-T259 WeakPolarHBondContact O-CG2 3.1Å; D198-T259 WeakPolarHBondContact OD1-CG2 3.45Å; D198-T259 PolarHBondContact OD1-OG1 2.65Å; W199-T259 HydrophobicContact CB-CG2 3.85Å; I205-T259 HydrophobicContact CD1-CG2 3.83Å; I205-T259 HydrophobicContact CG1-CG2 4.26Å; H255-T259 PolarHBondContact CE1-OG1 3.29Å; H255-T259 PolarHBondContact NE2-OG1 3.17Å; H255-T259 VanDerWaalsContact O-CB 3.26Å; H255-T259 WeakPolarHBondContact O-CB 3Å; H255-T259 PolarHBondContact O-N 3.45Å; H255-T259 PolarHBondContact O-OG1 2.93Å; H255-T259 VanDerWaalsContact O-OG1 3.1Å; T259-M262 PolarHBondContact O-N 3.04Å; T259-R263 VanDerWaalsContact O-CB 3.3Å; T259-R263 WeakPolarHBondContact O-CB 3.25Å; T259-R263 PolarHBondContact O-N 3.37Å
260F82.2Confident85.2Confident148 Ų14869.4 Ų69.465%0.64939%0.387SS*.Hα-helixtrans-63.6-43176-179.6-97.5000112.7K256 V257 S258 R263 S264K256-F260 WeakPolarHBondContact O-CB 3.31Å; K256-F260 PolarHBondContact O-N 3.16Å; V257-F260 PolarHBondContact O-N 3.25Å; S258-F260 VanDerWaalsContact C-N 3.33Å; S258-F260 PolarHBondContact O-N 3.25Å; F260-R263 PolarHBondContact O-N 3.34Å; F260-S264 PolarHBondContact O-N 3.42Å; F260-S264 PolarHBondContact O-OG 3.45Å
261A83.8Confident85Confident51 Ų5170.1 Ų70.142%0.42139%0.385SS..Hα-helixtrans-63.8-46.9176.400000111.5V257 S258 R263 S264 L265V257-A261 PolarHBondContact O-N 3.04Å; V257-A261 VanDerWaalsContact O-N 3.16Å; S258-A261 PolarHBondContact O-N 2.85Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 3.35Å; A261-S264 PolarHBondContact O-N 3.33Å; A261-L265 WeakPolarHBondContact O-CG 3.42Å; A261-L265 PolarHBondContact O-N 3.46Å; A261-L265 VanDerWaalsContact O-N 3.11Å
262M89.1Confident84.8Confident73 Ų7372 Ų7236%0.3640%0.395SS..Hα-helixtrans-60.4-42.5176.7-72.7-169.8-66.300111.9W199 S258 T259 S264 L265 A266W199-M262 HydrophobicContact CB-CB 3.78Å; W199-M262 HydrophobicContact CB-CE 4.07Å; W199-M262 HydrophobicContact CD2-CB 4.26Å; W199-M262 HydrophobicContact CE3-CB 4.36Å; W199-M262 HydrophobicContact CG-CB 4.03Å; W199-M262 HydrophobicContact CG-CE 3.93Å; W199-M262 HydrophobicContact CG-SD 4.31Å; S258-M262 WeakPolarHBondContact O-CG 3.24Å; S258-M262 PolarHBondContact O-N 2.98Å; T259-M262 PolarHBondContact O-N 3.04Å; M262-S264 VanDerWaalsContact C-N 3.33Å; M262-S264 PolarHBondContact O-N 3.1Å; M262-L265 PolarHBondContact O-N 3.11Å; M262-A266 WeakPolarHBondContact O-CB 3.21Å; M262-A266 PolarHBondContact O-N 2.98Å
263R91.3Very high84.9Confident61 Ų6172.9 Ų72.923%0.2339%0.393CS..Hα-helixtrans-61.9-40.3176.8-171.9-179.9-56.5-167.3-2113.2D198 W199 L200 S203 T259 F260 A261 L265 A266 S267D198-R263 PolarHBondContact O-NH2 3.15Å; W199-R263 WeakPolarHBondContact O-CA 3.23Å; W199-R263 WeakPolarHBondContact O-CB 3.35Å; W199-R263 WeakPolarHBondContact O-CG 3.27Å; L200-R263 PolarHBondContact O-NE 3.06Å; S203-R263 PolarHBondContact O-NH1 2.93Å; S203-R263 PolarHBondContact O-NH2 3.06Å; T259-R263 VanDerWaalsContact O-CB 3.3Å; T259-R263 WeakPolarHBondContact O-CB 3.25Å; T259-R263 PolarHBondContact O-N 3.37Å; F260-R263 PolarHBondContact O-N 3.34Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 3.35Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-A266 PolarHBondContact O-N 3.32Å; R263-S267 VanDerWaalsContact O-CB 3.23Å; R263-S267 WeakPolarHBondContact O-CB 3.49Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-OG 2.78Å
264S87.2Confident85Confident59 Ų5967.7 Ų67.741%0.41337%0.367SS..Hα-helixtrans-63.2-43.9177.6-59.60000110.9F260 A261 M262 L268F260-S264 PolarHBondContact O-N 3.42Å; F260-S264 PolarHBondContact O-OG 3.45Å; A261-S264 PolarHBondContact O-N 3.33Å; M262-S264 VanDerWaalsContact C-N 3.33Å; M262-S264 PolarHBondContact O-N 3.1Å; S264-L268 WeakPolarHBondContact O-CB 3.44Å; S264-L268 PolarHBondContact O-N 3.22Å
265L89.1Confident85Confident123 Ų12366.1 Ų66.164%0.64436%0.357SS*.Hα-helixtrans-64.8-47.4175.5-68.6171.2000112.2A261 M262 R263 S267 L268 A269A261-L265 WeakPolarHBondContact O-CG 3.42Å; A261-L265 PolarHBondContact O-N 3.46Å; A261-L265 VanDerWaalsContact O-N 3.11Å; M262-L265 PolarHBondContact O-N 3.11Å; R263-L265 VanDerWaalsContact C-N 3.34Å; L265-S267 PolarHBondContact O-N 3.39Å; L265-L268 PolarHBondContact O-N 3.5Å; L265-A269 WeakPolarHBondContact O-CB 3.37Å; L265-A269 PolarHBondContact O-N 2.99Å
266A88.9Confident83.7Confident6 Ų673.2 Ų73.25%0.0538%0.382CS..Hα-helixtrans-60.7-44.3178.300000111.5W199 M262 R263 L268 A269 L270W199-A266 HydrophobicContact CE3-CB 3.95Å; W199-A266 HydrophobicContact CZ3-CB 3.79Å; M262-A266 WeakPolarHBondContact O-CB 3.21Å; M262-A266 PolarHBondContact O-N 2.98Å; R263-A266 PolarHBondContact O-N 3.32Å; A266-L268 VanDerWaalsContact C-N 3.34Å; A266-L268 PolarHBondContact O-N 3.19Å; A266-A269 PolarHBondContact O-N 2.68Å; A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CG 3.2Å; A266-L270 PolarHBondContact O-N 2.69Å
267S89.5Confident82.4Confident25 Ų2570.5 Ų70.518%0.17538%0.375CS..Hα-helixtrans-62.3-40.7177.4-610000111.9R263 L265 R271R263-S267 VanDerWaalsContact O-CB 3.23Å; R263-S267 WeakPolarHBondContact O-CB 3.49Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-OG 2.78Å; L265-S267 PolarHBondContact O-N 3.39Å; S267-R271 VanDerWaalsContact O-CG 3.31Å; S267-R271 WeakPolarHBondContact O-CG 3.46Å; S267-R271 PolarHBondContact O-N 3.03Å
268L89.4Confident80.4Confident110 Ų11070.5 Ų70.558%0.57638%0.38SS*.Hα-helixtrans-65.8-46.9176.1-177.763.8000111S264 L265 A266 L270 R271 V272S264-L268 WeakPolarHBondContact O-CB 3.44Å; S264-L268 PolarHBondContact O-N 3.22Å; L265-L268 PolarHBondContact O-N 3.5Å; A266-L268 VanDerWaalsContact C-N 3.34Å; A266-L268 PolarHBondContact O-N 3.19Å; L268-L270 PolarHBondContact O-N 3.28Å; L268-R271 PolarHBondContact O-N 3.12Å; L268-V272 HydrophobicContact CD1-CG2 4.48Å; L268-V272 WeakPolarHBondContact O-CG2 3.21Å; L268-V272 PolarHBondContact O-N 2.83Å
269A87.5Confident78.5Confident33 Ų3377.6 Ų77.627%0.27342%0.424SS..Hα-helixtrans-57.3-49.2177.500000111.3L265 A266 R271 V272 T273L265-A269 WeakPolarHBondContact O-CB 3.37Å; L265-A269 PolarHBondContact O-N 2.99Å; A266-A269 PolarHBondContact O-N 2.68Å; A269-R271 PolarHBondContact O-N 2.96Å; A269-V272 PolarHBondContact O-N 3.32Å; A269-V272 VanDerWaalsContact O-N 3.13Å; A269-T273 WeakPolarHBondContact O-CG2 3.45Å; A269-T273 PolarHBondContact O-N 3.27Å; A269-T273 PolarHBondContact O-OG1 3.2Å; A269-T273 VanDerWaalsContact O-OG1 3.11Å
270L89.4Confident78.4Confident1 Ų181.4 Ų81.41%0.00545%0.445CS..Hα-helixtrans-60.5-40.7177.8-75.1167000112.8F114 V117 W119 P201 A266 L268 V272 T273 N274F114-L270 HydrophobicContact CD2-CB 3.89Å; F114-L270 HydrophobicContact CE2-CB 4.09Å; V117-L270 HydrophobicContact CG1-CD1 4.14Å; V117-L270 HydrophobicContact CG1-CD2 4.31Å; W119-L270 HydrophobicContact CB-CD2 4.26Å; P201-L270 HydrophobicContact CG-CD1 3.51Å; A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CG 3.2Å; A266-L270 PolarHBondContact O-N 2.69Å; L268-L270 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact C-N 3.35Å; L270-T273 WeakPolarHBondContact CA-OG1 3.26Å; L270-T273 PolarHBondContact O-OG1 2.95Å; L270-T273 VanDerWaalsContact O-OG1 3.05Å; L270-N274 VanDerWaalsContact O-CB 3.23Å; L270-N274 WeakPolarHBondContact O-CB 3.3Å; L270-N274 PolarHBondContact O-N 3.12Å; L270-N274 PolarHBondContact O-ND2 3.42Å
271R87.2Confident78.2Confident159 Ų15977.8 Ų77.860%0.643%0.434SS*.Hα-helixtrans-64.5-41.4175.1-74.6176.5-168.6-91.8-2111.1F114 S267 L268 A269 S275F114-R271 HydrophobicContact CD2-CG 4.02Å; F114-R271 HydrophobicContact CE2-CG 3.92Å; S267-R271 VanDerWaalsContact O-CG 3.31Å; S267-R271 WeakPolarHBondContact O-CG 3.46Å; S267-R271 PolarHBondContact O-N 3.03Å; L268-R271 PolarHBondContact O-N 3.12Å; A269-R271 PolarHBondContact O-N 2.96Å; R271-S275 WeakPolarHBondContact O-CB 3.45Å; R271-S275 PolarHBondContact O-N 2.77Å; R271-S275 PolarHBondContact O-OG 3.1Å
272V85.2Confident77.9Confident54 Ų5479.3 Ų79.333%0.32744%0.435SS..Hα-helixtrans-68.1-42.8179.2172.40000111.5L268 A269 L270 S275 R276L268-V272 HydrophobicContact CD1-CG2 4.48Å; L268-V272 WeakPolarHBondContact O-CG2 3.21Å; L268-V272 PolarHBondContact O-N 2.83Å; A269-V272 PolarHBondContact O-N 3.32Å; A269-V272 VanDerWaalsContact O-N 3.13Å; L270-V272 VanDerWaalsContact C-N 3.35Å; V272-S275 PolarHBondContact O-OG 2.8Å; V272-R276 WeakPolarHBondContact O-CD 3.12Å; V272-R276 VanDerWaalsContact O-CG 3.24Å; V272-R276 WeakPolarHBondContact O-CG 3.48Å
273T82.1Confident77.2Confident57 Ų5779.7 Ų79.735%0.3544%0.439SS..Hα-helixtrans-68.6-41.2179.652.70000111.8A269 L270A269-T273 WeakPolarHBondContact O-CG2 3.45Å; A269-T273 PolarHBondContact O-N 3.27Å; A269-T273 PolarHBondContact O-OG1 3.2Å; A269-T273 VanDerWaalsContact O-OG1 3.11Å; L270-T273 WeakPolarHBondContact CA-OG1 3.26Å; L270-T273 PolarHBondContact O-OG1 2.95Å; L270-T273 VanDerWaalsContact O-OG1 3.05Å
274N82.3Confident76.3Confident29 Ų2980.9 Ų80.916%0.15545%0.452CS..Hα-helixtrans-84.7-20.6-176.4-69.5-59.1000114.3N113 T118 L270 T277N113-N274 PolarHBondContact O-ND2 3.24Å; T118-N274 PolarHBondContact O-ND2 3.5Å; L270-N274 VanDerWaalsContact O-CB 3.23Å; L270-N274 WeakPolarHBondContact O-CB 3.3Å; L270-N274 PolarHBondContact O-N 3.12Å; L270-N274 PolarHBondContact O-ND2 3.42Å; N274-T277 PolarHBondContact O-OG1 3.2Å
275S73Confident75.6Confident77 Ų7782.3 Ų82.354%0.53846%0.455SS..Hα-helixtrans-76.9-26.517555.30000114.2R271 V272 T277R271-S275 WeakPolarHBondContact O-CB 3.45Å; R271-S275 PolarHBondContact O-N 2.77Å; R271-S275 PolarHBondContact O-OG 3.1Å; V272-S275 PolarHBondContact O-OG 2.8Å; S275-T277 PolarHBondContact O-N 2.82Å
276R57.5Low74.7Confident200 Ų20079.4 Ų79.476%0.75544%0.441SS*.THydrogen-bonded Turntrans-71.311.4-174.8-75.5174.5-179.8-1731.9115.3V272V272-R276 WeakPolarHBondContact O-CD 3.12Å; V272-R276 VanDerWaalsContact O-CG 3.24Å; V272-R276 WeakPolarHBondContact O-CG 3.48Å
277T52.8Low73.6Confident61 Ų6185.1 Ų85.137%0.37447%0.471SS..THydrogen-bonded Turntrans-137.719.7-174.565.50000114.2R139 N274 S275R139-T277 PolarHBondContact NH2-OG1 3.04Å; N274-T277 PolarHBondContact O-OG1 3.2Å; S275-T277 PolarHBondContact O-N 2.82Å
278S36.6Very low72.2Confident98 Ų9890.1 Ų90.169%0.68550%0.496SS*.  trans-69.4129.1158.8-59.10000107
279P43.7Very low70.7Confident202 Ų20288.3 Ų88.3100%1.31249%0.489SS*.  trans-57.70175.724.6-32.5000112.2

Retrieved 279 of 279 residues in 1643.3 ms (Link to these results)

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