A0A3Q0KU80_SCHMA Loading...

Glucose-6-phosphate 1-epimerase

AlphaFold DB , UniProt , Accession A0A3Q0KU80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M44.1Very low47.7Very low243 Ų243145.9 Ų145.9100%1.19780%0.803SS**  094.80-165-172.5-63.200105.9G3M1-G3 PolarHBondContact O-N 3.39Å
2L42.3Very low47.2Very low178 Ų178148.8 Ų148.893%0.93281%0.806SS**  trans-74.8114.4177.8-78.2160.9000106.7V4L2-V4 PolarHBondContact O-N 3.3Å
3G47.6Very low46.4Very low56 Ų56151.5 Ų151.558%0.57781%0.81SS**  trans-63.7127.8179.700000110.2M1 F5M1-G3 PolarHBondContact O-N 3.39Å; G3-F5 PolarHBondContact O-N 3.25Å
4V49.8Very low46Very low133 Ų133151 Ų15181%0.80681%0.806SS**  trans-68.9120164.7-87.40000107.6L2L2-V4 PolarHBondContact O-N 3.3Å
5F52.9Low45.4Very low190 Ų190148.1 Ų148.183%0.83380%0.799SS**  trans-87.7105.4168.1-65.8-86.3000106.6G3 V7G3-F5 PolarHBondContact O-N 3.25Å; F5-V7 PolarHBondContact O-N 3.14Å
6D52.3Low45.1Very low159 Ų159149.6 Ų149.685%0.8580%0.799SS**  trans-66.5100.3167.4-74-39.9000107.5D8D6-D8 PolarHBondContact O-N 3.05Å
7V50.9Low44.4Very low110 Ų110148.5 Ų148.567%0.66780%0.799SS**  trans-77.3108.8166.8178.50000105.8F5 L9F5-V7 PolarHBondContact O-N 3.14Å; V7-L9 HydrophobicContact CG1-CD2 4.49Å; V7-L9 HydrophobicContact CG1-CG 4.48Å; V7-L9 PolarHBondContact O-N 3.18Å
8D48.8Very low43.8Very low132 Ų132146.8 Ų146.871%0.70680%0.795SS**  trans-65.297.5176-151.4-7.4000108.6D6D6-D8 PolarHBondContact O-N 3.05Å
9L49.5Very low43.7Very low155 Ų155146.2 Ų146.281%0.81279%0.79SS**  trans-83-1.1-179.5-77.9167.7000112.3V7V7-L9 HydrophobicContact CG1-CD2 4.49Å; V7-L9 HydrophobicContact CG1-CG 4.48Å; V7-L9 PolarHBondContact O-N 3.18Å
10L42Very low44Very low134 Ų134145.4 Ų145.470%0.70279%0.79SS**SBendtrans-74.6130.5173.7-65.7177.4000108.5Q12L10-Q12 PolarHBondContact O-N 2.89Å
11P44.1Very low45.1Very low115 Ų115140.8 Ų140.875%0.74777%0.769SS**  trans-55112.7175.8-20.930.5000108.5E13P11-E13 PolarHBondContact O-N 2.86Å; P11-E13 VanDerWaalsContact O-N 3.09Å
12Q42.3Very low46.8Very low181 Ų181129.6 Ų129.685%0.84671%0.714SS**  trans-51120.3167-164.3173.724.300106L10 L14L10-Q12 PolarHBondContact O-N 2.89Å; Q12-L14 PolarHBondContact O-N 3.17Å
13E36.7Very low49.1Very low184 Ų184121.5 Ų121.586%0.8667%0.672SS**  trans-46.2106.4-175.8-73.5-174.6154.100108.9P11 P15P11-E13 PolarHBondContact O-N 2.86Å; P11-E13 VanDerWaalsContact O-N 3.09Å; E13-P15 WeakPolarHBondContact O-CD 3.18Å; E13-P15 VanDerWaalsContact O-N 3.11Å
14L40.4Very low51.2Low144 Ų144121.5 Ų121.575%0.75466%0.662SS**  trans-64.2115.4177.4-84.3159.6000106.1Q12 H16Q12-L14 PolarHBondContact O-N 3.17Å; L14-H16 PolarHBondContact O-N 3.24Å; L14-H16 VanDerWaalsContact O-N 3.1Å
15P37.2Very low53.2Low108 Ų108118.4 Ų118.470%0.70165%0.647SS**SBendtrans-63.2121.9-178.623.1-28.4000107.9E13E13-P15 WeakPolarHBondContact O-CD 3.18Å; E13-P15 VanDerWaalsContact O-N 3.11Å
16H41Very low55Low171 Ų171111.2 Ų111.279%0.79263%0.626SS**  trans67.581.4-176.3-44.8-74.4000114L14 T18L14-H16 PolarHBondContact O-N 3.24Å; L14-H16 VanDerWaalsContact O-N 3.1Å; H16-T18 PolarHBondContact O-N 3.24Å; H16-T18 PolarHBondContact O-OG1 3.4Å
17T32.2Very low57Low132 Ų132103.7 Ų103.781%0.8159%0.586SS**  trans-57.680.7151.3-38.30000108I19T17-I19 PolarHBondContact O-N 2.91Å
18T34.7Very low59.1Low117 Ų117100 Ų10072%0.71856%0.564SS**  trans-58.1124.4170-57.80000104.7H16 T20H16-T18 PolarHBondContact O-N 3.24Å; H16-T18 PolarHBondContact O-OG1 3.4Å; T18-T20 PolarHBondContact O-N 3.17Å; T18-T20 VanDerWaalsContact O-N 3.09Å
19I41.5Very low61.5Low135 Ų13593.8 Ų93.869%0.69253%0.53SS*.  trans-19.9114.8171.2-64.6165.6000108.8T17 S21T17-I19 PolarHBondContact O-N 2.91Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.78Å
20T50.2Low63.8Low130 Ų13088.9 Ų88.980%0.79851%0.507SS*.  trans-38.696172.8320000108.2T18 C22T18-T20 PolarHBondContact O-N 3.17Å; T18-T20 VanDerWaalsContact O-N 3.09Å; T20-C22 PolarHBondContact O-N 2.89Å; T20-C22 VanDerWaalsContact O-N 3.11Å
21S66.1Low66.4Low49 Ų4983.9 Ų83.934%0.34349%0.488SS..  trans-68.5120179.259.60000104.5I19 L23I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.78Å; S21-L23 CarbonylContact O-C 3.55Å; S21-L23 PolarHBondContact O-N 2.85Å; S21-L23 PolarHBondContact OG-O 3.35Å
22C81.2Confident69Low8 Ų878.7 Ų78.75%0.05446%0.455CS..SBendtrans-54.2-8.4170.948.80000113T20 S27 F29 Y188T20-C22 PolarHBondContact O-N 2.89Å; T20-C22 VanDerWaalsContact O-N 3.11Å; C22-S27 WeakPolarHBondContact O-CB 3.43Å; C22-S27 PolarHBondContact O-OG 3.34Å; C22-F29 HydrophobicContact CB-CE1 4.36Å; C22-F29 HydrophobicContact CB-CZ 4Å; C22-F29 WeakPolarHBondContact O-CE2 3.4Å; C22-F29 WeakPolarHBondContact O-CZ 3.42Å; C22-Y188 HydrophobicContact CB-CD1 4.41Å; C22-Y188 HydrophobicContact CB-CD2 3.78Å; C22-Y188 HydrophobicContact CB-CE2 4.24Å; C22-Y188 HydrophobicContact CB-CG 3.87Å
23L90Very high71.5Confident8 Ų870.7 Ų70.74%0.04242%0.417CS..  trans-91.680.7163.4-164.168.5000110.8S21 I46 V49 V56 I80 I131 M133 L162S21-L23 CarbonylContact O-C 3.55Å; S21-L23 PolarHBondContact O-N 2.85Å; S21-L23 PolarHBondContact OG-O 3.35Å; L23-I46 HydrophobicContact CD1-CD1 4.28Å; L23-I46 HydrophobicContact CD1-CG1 4.3Å; L23-V49 HydrophobicContact CD2-CG1 4.45Å; L23-V49 HydrophobicContact CG-CG1 4.46Å; L23-V49 HydrophobicContact CG-CG2 4.13Å; L23-V56 HydrophobicContact CD1-CG2 4.07Å; L23-I80 HydrophobicContact CD2-CD1 4.09Å; L23-I131 HydrophobicContact CB-CD1 4.18Å; L23-I131 HydrophobicContact CD2-CD1 3.93Å; L23-I131 HydrophobicContact CD2-CG2 4.23Å; L23-M133 HydrophobicContact CD1-CE 4.43Å; L23-M133 HydrophobicContact CD1-SD 4.09Å; L23-M133 HydrophobicContact CD2-SD 3.94Å; L23-L162 HydrophobicContact CB-CD2 3.79Å; L23-L162 HydrophobicContact CD1-CD2 4.21Å; L23-L162 HydrophobicContact CG-CD2 4.46Å
24C91.1Very high74.3Confident56 Ų5667.3 Ų67.338%0.37840%0.396SS..SBendtrans-138.7162.216964.40000110.6G26 S27C24-G26 PolarHBondContact O-N 2.85Å; C24-S27 PolarHBondContact N-OG 2.56Å; C24-S27 WeakPolarHBondContact O-CB 3.39Å; C24-S27 PolarHBondContact O-N 2.89Å; C24-S27 PolarHBondContact O-OG 2.9Å; C24-S27 PolarHBondContact SG-OG 3.15Å
25S92.1Very high76.6Confident68 Ų6861.6 Ų61.648%0.47637%0.369SS..THydrogen-bonded Turntrans-55.4134.1175.2-55.40000110.8S27 Q47S25-S27 VanDerWaalsContact C-N 3.32Å; S25-Q47 WeakPolarHBondContact CB-O 3.44Å; S25-Q47 PolarHBondContact OG-O 2.88Å
26G91.5Very high78.9Confident39 Ų3964.2 Ų64.240%0.40237%0.369SS..THydrogen-bonded Turntrans87.8-9.9-174.900000114.5C24 V28 I46C24-G26 PolarHBondContact O-N 2.85Å; G26-V28 PolarHBondContact O-N 2.66Å; G26-I46 PolarHBondContact N-O 2.77Å
27S93.4Very high81Confident2 Ų260.3 Ų60.31%0.01438%0.375CS..  trans-62.8132.7179.1-68.60000111.8C22 C24 S25 I46C22-S27 WeakPolarHBondContact O-CB 3.43Å; C22-S27 PolarHBondContact O-OG 3.34Å; C24-S27 PolarHBondContact N-OG 2.56Å; C24-S27 WeakPolarHBondContact O-CB 3.39Å; C24-S27 PolarHBondContact O-N 2.89Å; C24-S27 PolarHBondContact O-OG 2.9Å; C24-S27 PolarHBondContact SG-OG 3.15Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S27-I46 PolarHBondContact O-N 2.93Å
28V96Very high83.8Confident32 Ų3260.1 Ų60.119%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-114.8134.8177.5-177.70000109.8G26 T30 E43 V44 T45 K189G26-V28 PolarHBondContact O-N 2.66Å; V28-T30 HydrophobicContact CG1-CG2 4.28Å; V28-E43 HydrophobicContact CG1-CG 3.78Å; V28-V44 CarbonylContact C-O 3.56Å; V28-V44 WeakPolarHBondContact CA-O 3.47Å; V28-T45 HydrophobicContact CG2-CG2 4.28Å; V28-K189 HydrophobicContact CB-CB 4.45Å; V28-K189 HydrophobicContact CG1-CB 4.47Å; V28-K189 HydrophobicContact CG1-CD 4.34Å; V28-K189 PolarHBondContact O-N 2.76Å
29F97.6Very high86.6Confident1 Ų160.7 Ų60.70%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-121.2139.9174.1-64.2-98.9000109.3C22 E43 V44 I46 L162 V169 L186 K187 Y188C22-F29 HydrophobicContact CB-CE1 4.36Å; C22-F29 HydrophobicContact CB-CZ 4Å; C22-F29 WeakPolarHBondContact O-CE2 3.4Å; C22-F29 WeakPolarHBondContact O-CZ 3.42Å; F29-E43 CarbonylContact O-C 3.53Å; F29-E43 VanDerWaalsContact O-CA 3.31Å; F29-E43 WeakPolarHBondContact O-CA 3.16Å; F29-V44 HydrophobicContact CB-CB 4.33Å; F29-V44 PolarHBondContact N-O 2.92Å; F29-V44 PolarHBondContact O-N 2.93Å; F29-I46 HydrophobicContact CD2-CG1 4.31Å; F29-I46 HydrophobicContact CE2-CG1 3.96Å; F29-L162 HydrophobicContact CE1-CD1 3.73Å; F29-L162 HydrophobicContact CZ-CD1 4.07Å; F29-L162 HydrophobicContact CZ-CD2 4.25Å; F29-V169 HydrophobicContact CD1-CG2 3.56Å; F29-V169 HydrophobicContact CE1-CG2 3.68Å; F29-V169 HydrophobicContact CG-CG2 4.25Å; F29-V169 HydrophobicContact CZ-CG2 4.43Å; F29-L186 HydrophobicContact CB-CB 3.89Å; F29-L186 HydrophobicContact CB-CD1 4.12Å; F29-K187 CarbonylContact C-O 3.35Å; F29-K187 VanDerWaalsContact CA-O 3.29Å; F29-K187 WeakPolarHBondContact CA-O 3.37Å; F29-Y188 HydrophobicContact CE1-CD2 4.12Å; F29-Y188 HydrophobicContact CE1-CG 4.43Å; F29-Y188 HydrophobicContact CE2-CD2 4.26Å; F29-Y188 AromaticContact CZ-CD2 3.98Å; F29-Y188 HydrophobicContact CZ-CD2 3.98Å
30T97.9Very high89.1Confident52 Ų5255.8 Ų55.832%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-132.3147.3179.359.90000110.8V28 V42 E43 L186 K187 K189V28-T30 HydrophobicContact CG1-CG2 4.28Å; T30-V42 CarbonylContact C-O 3.55Å; T30-V42 WeakPolarHBondContact CA-O 3.25Å; T30-E43 HydrophobicContact CG2-CB 4.38Å; T30-E43 HydrophobicContact CG2-CG 4.06Å; T30-L186 CarbonylContact O-C 3.55Å; T30-L186 WeakPolarHBondContact O-CA 3.2Å; T30-K187 PolarHBondContact N-O 2.82Å; T30-K187 PolarHBondContact O-N 2.93Å; T30-K189 HydrophobicContact CG2-CD 4.16Å
31G97.9Very high91.3Very high30 Ų3054.3 Ų54.331%0.30932%0.316SS..EExtended strand (participates in β ladder)trans169-133.1179.100000111.9N41 V42 E185G31-N41 WeakPolarHBondContact O-CA 3.42Å; G31-V42 PolarHBondContact N-O 2.99Å; G31-V42 PolarHBondContact O-N 2.81Å; G31-E185 CarbonylContact C-O 3Å; G31-E185 WeakPolarHBondContact CA-O 3.37Å
32S97.4Very high92.8Very high6 Ų652.2 Ų52.24%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-149.6148.7-175.863.40000115.2K39 Y40 E185S32-K39 VanDerWaalsContact OG-CE 3.26Å; S32-K39 WeakPolarHBondContact OG-CE 3.27Å; S32-Y40 CarbonylContact C-O 3.52Å; S32-Y40 WeakPolarHBondContact CA-O 2.99Å; S32-Y40 WeakPolarHBondContact CB-O 3.01Å; S32-E185 PolarHBondContact N-O 2.93Å; S32-E185 PolarHBondContact O-N 3.11Å
33Q95.6Very high93.6Very high13 Ų1355.2 Ų55.26%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-99141162.6-179169.1-21.800110.2K39 Y40 V42 I62 Y158 S183 L184Q33-K39 WeakPolarHBondContact O-CA 3.5Å; Q33-Y40 PolarHBondContact N-O 3.28Å; Q33-Y40 PolarHBondContact O-N 3.4Å; Q33-V42 HydrophobicContact CB-CG2 3.82Å; Q33-I62 HydrophobicContact CB-CD1 4.28Å; Q33-Y158 PolarHBondContact NE2-OH 2.68Å; Q33-Y158 PolarHBondContact OE1-OH 3.21Å; Q33-S183 CarbonylContact C-O 3.52Å; Q33-S183 WeakPolarHBondContact CA-O 3.5Å; Q33-L184 HydrophobicContact CB-CD1 4.12Å
34R94.7Very high94Very high112 Ų11254.8 Ų54.842%0.42331%0.312SS..EExtended strand (participates in β ladder)trans-129.3133.7179.6-56.8-178-167.9169.510.1112.1K38 K39 Q182 S183 E185R34-K38 VanDerWaalsContact CA-O 3.27Å; R34-K38 WeakPolarHBondContact CA-O 3.36Å; R34-K39 HydrophobicContact CG-CB 4.26Å; R34-K39 HydrophobicContact CG-CG 4.1Å; R34-Q182 CarbonylContact O-C 3.41Å; R34-Q182 WeakPolarHBondContact O-CA 3.18Å; R34-S183 PolarHBondContact N-O 3.07Å; R34-S183 PolarHBondContact O-N 3.38Å; R34-S183 VanDerWaalsContact O-N 3.08Å; R34-E185 IonicContact NH2-OE2 3.72Å
35S89.2Confident94.3Very high25 Ų2553.7 Ų53.718%0.17530%0.304CS..EExtended strand (participates in β ladder)trans-152.7140.4172.9171.70000109.9G37 K38 E179S35-G37 PolarHBondContact O-N 2.63Å; S35-K38 PolarHBondContact N-O 2.93Å; S35-K38 VanDerWaalsContact N-O 3.13Å; S35-K38 WeakPolarHBondContact O-CA 3.34Å; S35-K38 WeakPolarHBondContact O-CB 3.34Å; S35-K38 PolarHBondContact O-N 3.28Å; S35-E179 PolarHBondContact OG-OE2 2.72Å
36K86Confident94.6Very high162 Ų16250.5 Ų50.570%0.70428%0.281SS*.THydrogen-bonded Turntrans43.342.8177.3-55.1-171.3180177.70115.1K38 E179K36-K38 PolarHBondContact O-N 3.17Å; K36-E179 WeakPolarHBondContact CG-OE2 2.97Å
37G85.2Confident94.8Very high89 Ų8953.3 Ų53.392%0.91828%0.284SS*.THydrogen-bonded Turntrans76.6-1.7-179.500000115.6S35S35-G37 PolarHBondContact O-N 2.63Å
38K90.5Very high95Very high129 Ų12959.1 Ų59.156%0.56131%0.306SS*.EExtended strand (participates in β ladder)trans-89148.8170.9-58.5-172.6-177.7-179.20110.4R34 S35 K36 Y40R34-K38 VanDerWaalsContact CA-O 3.27Å; R34-K38 WeakPolarHBondContact CA-O 3.36Å; S35-K38 PolarHBondContact N-O 2.93Å; S35-K38 VanDerWaalsContact N-O 3.13Å; S35-K38 WeakPolarHBondContact O-CA 3.34Å; S35-K38 WeakPolarHBondContact O-CB 3.34Å; S35-K38 PolarHBondContact O-N 3.28Å; K36-K38 PolarHBondContact O-N 3.17Å; K38-Y40 HydrophobicContact CB-CE2 3.78Å; K38-Y40 HydrophobicContact CD-CE2 4.49Å; K38-Y40 WeakPolarHBondContact CD-OH 3.37Å
39K94Very high95Very high128 Ų12858.6 Ų58.656%0.55730%0.303SS*.EExtended strand (participates in β ladder)trans-131.9128.1176.7-179.7-176.6176.7-1740108.7S32 Q33 R34S32-K39 VanDerWaalsContact OG-CE 3.26Å; S32-K39 WeakPolarHBondContact OG-CE 3.27Å; Q33-K39 WeakPolarHBondContact O-CA 3.5Å; R34-K39 HydrophobicContact CG-CB 4.26Å; R34-K39 HydrophobicContact CG-CG 4.1Å
40Y94.2Very high94.9Very high33 Ų3360.2 Ų60.213%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-118.7137.5179.9-56.4-76.1000109.3S32 Q33 K38 I62 N64 L65S32-Y40 CarbonylContact C-O 3.52Å; S32-Y40 WeakPolarHBondContact CA-O 2.99Å; S32-Y40 WeakPolarHBondContact CB-O 3.01Å; Q33-Y40 PolarHBondContact N-O 3.28Å; Q33-Y40 PolarHBondContact O-N 3.4Å; K38-Y40 HydrophobicContact CB-CE2 3.78Å; K38-Y40 HydrophobicContact CD-CE2 4.49Å; K38-Y40 WeakPolarHBondContact CD-OH 3.37Å; Y40-I62 HydrophobicContact CD2-CD1 4.39Å; Y40-I62 HydrophobicContact CG-CD1 4.13Å; Y40-I62 HydrophobicContact CG-CG1 4.39Å; Y40-N64 VanDerWaalsContact CE1-O 3.25Å; Y40-N64 WeakPolarHBondContact CE1-O 3.48Å; Y40-L65 HydrophobicContact CD1-CB 4.46Å; Y40-L65 HydrophobicContact CD1-CD1 4.18Å; Y40-L65 HydrophobicContact CD2-CD1 4.01Å; Y40-L65 HydrophobicContact CE1-CB 4.49Å; Y40-L65 HydrophobicContact CE1-CD1 3.89Å; Y40-L65 HydrophobicContact CE2-CD1 3.7Å; Y40-L65 HydrophobicContact CG-CD1 4.22Å
41N96.6Very high94.7Very high98 Ų9862.6 Ų62.652%0.52432%0.32SS..EExtended strand (participates in β ladder)trans-73.7137174.5-68-25.5000108.9G31 I62 E63G31-N41 WeakPolarHBondContact O-CA 3.42Å; N41-I62 WeakPolarHBondContact O-CA 3.23Å; N41-E63 HydrophobicContact CB-CB 4.29Å; N41-E63 HydrophobicContact CB-CG 4.38Å; N41-E63 PolarHBondContact O-N 2.85Å
42V97.8Very high94.6Very high6 Ų669.4 Ų69.44%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-129.4137.4-179.1177.20000109.8T30 G31 Q33 V44 M60 K61 I62 L184 L186T30-V42 CarbonylContact C-O 3.55Å; T30-V42 WeakPolarHBondContact CA-O 3.25Å; G31-V42 PolarHBondContact N-O 2.99Å; G31-V42 PolarHBondContact O-N 2.81Å; Q33-V42 HydrophobicContact CB-CG2 3.82Å; V42-V44 HydrophobicContact CG1-CG2 4.11Å; V42-M60 HydrophobicContact CG1-CG 3.82Å; V42-M60 HydrophobicContact CG1-SD 4.26Å; V42-K61 CarbonylContact C-O 3.55Å; V42-K61 VanDerWaalsContact CA-O 3.23Å; V42-K61 WeakPolarHBondContact CA-O 3.3Å; V42-I62 HydrophobicContact CG2-CB 4.22Å; V42-I62 HydrophobicContact CG2-CD1 4.08Å; V42-I62 HydrophobicContact CG2-CG1 3.94Å; V42-L184 HydrophobicContact CB-CD1 4.29Å; V42-L184 HydrophobicContact CG1-CD1 4.05Å; V42-L184 HydrophobicContact CG2-CD1 4.21Å; V42-L186 HydrophobicContact CB-CD2 3.86Å; V42-L186 HydrophobicContact CG1-CD2 3.84Å
43E97.9Very high94.7Very high70 Ų7073.8 Ų73.833%0.32736%0.362SS..EExtended strand (participates in β ladder)trans-122133.7166.7-178172.489.300108.8V28 F29 T30 K61V28-E43 HydrophobicContact CG1-CG 3.78Å; F29-E43 CarbonylContact O-C 3.53Å; F29-E43 VanDerWaalsContact O-CA 3.31Å; F29-E43 WeakPolarHBondContact O-CA 3.16Å; T30-E43 HydrophobicContact CG2-CB 4.38Å; T30-E43 HydrophobicContact CG2-CG 4.06Å; E43-K61 HydrophobicContact CB-CB 4.39Å; E43-K61 PolarHBondContact N-O 3.2Å; E43-K61 PolarHBondContact O-N 2.9Å
44V98.3Very high94.7Very high0 Ų074.5 Ų74.50%037%0.365CS..EExtended strand (participates in β ladder)trans-120.9127.8175.5168.50000108.4V28 F29 V42 I46 F59 M60 F76 W135 L186V28-V44 CarbonylContact C-O 3.56Å; V28-V44 WeakPolarHBondContact CA-O 3.47Å; F29-V44 HydrophobicContact CB-CB 4.33Å; F29-V44 PolarHBondContact N-O 2.92Å; F29-V44 PolarHBondContact O-N 2.93Å; V42-V44 HydrophobicContact CG1-CG2 4.11Å; V44-I46 HydrophobicContact CG1-CD1 3.97Å; V44-F59 CarbonylContact C-O 3.57Å; V44-F59 VanDerWaalsContact CA-O 3.32Å; V44-F59 WeakPolarHBondContact CA-O 3.36Å; V44-M60 HydrophobicContact CG2-CB 4.11Å; V44-M60 HydrophobicContact CG2-CG 3.77Å; V44-M60 HydrophobicContact CG2-SD 4.36Å; V44-F76 HydrophobicContact CG1-CE1 3.88Å; V44-F76 HydrophobicContact CG1-CZ 3.98Å; V44-W135 HydrophobicContact CG1-CH2 4.01Å; V44-W135 HydrophobicContact CG1-CZ3 4.11Å; V44-W135 HydrophobicContact CG2-CZ3 4.03Å; V44-L186 HydrophobicContact CB-CD1 4.05Å; V44-L186 HydrophobicContact CG2-CD1 3.61Å
45T97.4Very high94.9Very high33 Ų3370.3 Ų70.320%0.20235%0.35CS..EExtended strand (participates in β ladder)trans-113.4120.8174-53.50000109.3V28 G58 F59V28-T45 HydrophobicContact CG2-CG2 4.28Å; T45-G58 CarbonylContact O-C 3.56Å; T45-G58 WeakPolarHBondContact O-CA 3.33Å; T45-F59 PolarHBondContact N-O 3.12Å; T45-F59 PolarHBondContact O-N 3.15Å
46I97.3Very high95.3Very high0 Ų069.1 Ų69.10%034%0.342CS..EExtended strand (participates in β ladder)trans-81117.2173.7-54.2-54.7000108.3L23 G26 S27 F29 V44 V49 V56 F76L23-I46 HydrophobicContact CD1-CD1 4.28Å; L23-I46 HydrophobicContact CD1-CG1 4.3Å; G26-I46 PolarHBondContact N-O 2.77Å; S27-I46 PolarHBondContact O-N 2.93Å; F29-I46 HydrophobicContact CD2-CG1 4.31Å; F29-I46 HydrophobicContact CE2-CG1 3.96Å; V44-I46 HydrophobicContact CG1-CD1 3.97Å; I46-V49 HydrophobicContact CG2-CG2 3.64Å; I46-V56 HydrophobicContact CD1-CG2 3.96Å; I46-V56 HydrophobicContact CG2-CG2 3.81Å; I46-F76 HydrophobicContact CD1-CZ 4.04Å
47Q96.9Very high95.9Very high99 Ų9964 Ų6446%0.46332%0.318SS..EExtended strand (participates in β ladder)trans-89.7-42.1-179.9-69.5-65.493.700112S25 Y57 F59S25-Q47 WeakPolarHBondContact CB-O 3.44Å; S25-Q47 PolarHBondContact OG-O 2.88Å; Q47-Y57 PolarHBondContact N-O 3.27Å; Q47-F59 HydrophobicContact CG-CD2 3.59Å; Q47-F59 HydrophobicContact CG-CE2 3.51Å
48Y96.4Very high96.6Very high123 Ų12359.8 Ų59.848%0.48228%0.275SS..EExtended strand (participates in β ladder)trans-152.9144-176.7-177.3-123.3000111.4D50 Y57Y48-D50 HydrophobicContact CE1-CB 3.79Å; Y48-Y57 AromaticContact CD1-CD2 3.71Å; Y48-Y57 HydrophobicContact CD1-CD2 3.71Å; Y48-Y57 AromaticContact CD1-CE2 3.93Å; Y48-Y57 HydrophobicContact CD1-CE2 3.93Å; Y48-Y57 HydrophobicContact CE1-CE2 4.47Å; Y48-Y57 HydrophobicContact CG-CD2 4.41Å; Y48-Y57 PolarHBondContact N-O 3.33Å; Y48-Y57 PolarHBondContact O-N 2.81Å
49V96.5Very high96.9Very high21 Ų2156.8 Ų56.813%0.12726%0.262CS..EExtended strand (participates in β ladder)trans-125.7115.4175.1-172.10000108.2L23 I46 M51 V56 I80L23-V49 HydrophobicContact CD2-CG1 4.45Å; L23-V49 HydrophobicContact CG-CG1 4.46Å; L23-V49 HydrophobicContact CG-CG2 4.13Å; I46-V49 HydrophobicContact CG2-CG2 3.64Å; V49-M51 HydrophobicContact CG1-CG 4.03Å; V49-M51 HydrophobicContact CG1-SD 3.66Å; V49-V56 HydrophobicContact CG2-CG2 4.3Å; V49-I80 HydrophobicContact CG1-CD1 4.17Å
50D96.3Very high97.1Very high36 Ų3650.9 Ų50.919%0.19324%0.236CC..EExtended strand (participates in β ladder)trans-99.993.9171.6-173.6-21.7000108.9Y48 K52 Q53 K54 M55Y48-D50 HydrophobicContact CE1-CB 3.79Å; D50-K52 PolarHBondContact O-N 2.97Å; D50-K52 WeakPolarHBondContact OD1-CA 3.49Å; D50-K52 WeakPolarHBondContact OD1-CB 3.15Å; D50-K52 PolarHBondContact OD1-N 2.84Å; D50-Q53 HydrophobicContact CB-CB 4.34Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 PolarHBondContact OD1-N 2.94Å; D50-Q53 VanDerWaalsContact OD2-CG 3.22Å; D50-Q53 WeakPolarHBondContact OD2-CG 3.33Å; D50-K54 CarbonylContact O-C 3.52Å; D50-K54 VanDerWaalsContact O-CA 3.29Å; D50-K54 WeakPolarHBondContact O-CA 3.25Å; D50-K54 PolarHBondContact O-N 3.01Å; D50-M55 HydrophobicContact CB-CB 4.4Å; D50-M55 PolarHBondContact N-O 3.24Å; D50-M55 PolarHBondContact O-N 2.98Å
51M93.7Very high97.2Very high101 Ų10152.6 Ų52.650%0.49824%0.244SC..THydrogen-bonded Turntrans-68.4-20.8179.4-68.8-59.1-70.100113.3V49 K54 I80V49-M51 HydrophobicContact CG1-CG 4.03Å; V49-M51 HydrophobicContact CG1-SD 3.66Å; M51-K54 WeakPolarHBondContact O-CD 3.08Å; M51-I80 HydrophobicContact SD-CD1 3.89Å
52K95.5Very high97.1Very high173 Ų17348.3 Ų48.375%0.75222%0.221SC*.THydrogen-bonded Turntrans-76.8-44178.7-176.7-176.2178.1-1770110.7D50 K54D50-K52 PolarHBondContact O-N 2.97Å; D50-K52 WeakPolarHBondContact OD1-CA 3.49Å; D50-K52 WeakPolarHBondContact OD1-CB 3.15Å; D50-K52 PolarHBondContact OD1-N 2.84Å; K52-K54 VanDerWaalsContact C-N 3.28Å
53Q97.8Very high96.9Very high99 Ų9950.4 Ų50.446%0.46323%0.231SC..THydrogen-bonded Turntrans-85-4.8173.8-61.7-54.1-61.300113D50 M55 H85D50-Q53 HydrophobicContact CB-CB 4.34Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 PolarHBondContact OD1-N 2.94Å; D50-Q53 VanDerWaalsContact OD2-CG 3.22Å; D50-Q53 WeakPolarHBondContact OD2-CG 3.33Å; Q53-M55 VanDerWaalsContact C-N 3.31Å; Q53-M55 HydrophobicContact CB-CG 3.91Å; Q53-M55 PolarHBondContact O-N 2.88Å; Q53-H85 PolarHBondContact O-NE2 3.09Å
54K97.6Very high96.4Very high28 Ų2852.3 Ų52.312%0.12224%0.243CC..THydrogen-bonded Turntrans54.949.1-176.1-64.6-74.2-172.71720110.3D50 M51 K52 I80 S82 L84 H85 E126D50-K54 CarbonylContact O-C 3.52Å; D50-K54 VanDerWaalsContact O-CA 3.29Å; D50-K54 WeakPolarHBondContact O-CA 3.25Å; D50-K54 PolarHBondContact O-N 3.01Å; M51-K54 WeakPolarHBondContact O-CD 3.08Å; K52-K54 VanDerWaalsContact C-N 3.28Å; K54-I80 HydrophobicContact CB-CB 4.06Å; K54-I80 HydrophobicContact CD-CB 4.45Å; K54-I80 HydrophobicContact CD-CG2 4.32Å; K54-I80 WeakPolarHBondContact O-CB 3.29Å; K54-I80 PolarHBondContact O-N 3.1Å; K54-S82 WeakPolarHBondContact CG-OG 3.32Å; K54-L84 HydrophobicContact CB-CD1 4.44Å; K54-L84 HydrophobicContact CG-CD1 4.16Å; K54-H85 PolarHBondContact O-CD2 3.41Å; K54-E126 IonicContact NZ-OE1 2.97Å; K54-E126 PolarHBondContact NZ-OE1 2.97Å; K54-E126 IonicContact NZ-OE2 3.39Å; K54-E126 PolarHBondContact NZ-OE2 2.95Å
55M98.1Very high95.6Very high24 Ų2454.2 Ų54.212%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-121.9149.5-179.3-62.8-60.9-6700111.4D50 Q53 Y57 G78 E79 H85D50-M55 HydrophobicContact CB-CB 4.4Å; D50-M55 PolarHBondContact N-O 3.24Å; D50-M55 PolarHBondContact O-N 2.98Å; Q53-M55 VanDerWaalsContact C-N 3.31Å; Q53-M55 HydrophobicContact CB-CG 3.91Å; Q53-M55 PolarHBondContact O-N 2.88Å; M55-Y57 HydrophobicContact CB-CE2 3.74Å; M55-Y57 WeakPolarHBondContact CB-OH 3.25Å; M55-G78 CarbonylContact C-O 3.57Å; M55-G78 VanDerWaalsContact CA-O 3.26Å; M55-G78 WeakPolarHBondContact CA-O 3.24Å; M55-G78 WeakPolarHBondContact CE-O 3.06Å; M55-E79 HydrophobicContact CE-CG 4.2Å; M55-E79 HydrophobicContact SD-CG 3.94Å; M55-H85 PolarHBondContact SD-NE2 2.92Å; M55-H85 VanDerWaalsContact SD-NE2 3.37Å
56V98.2Very high94.7Very high0 Ų053.5 Ų53.50%025%0.249CC..EExtended strand (participates in β ladder)trans-129.4143.7171.460.40000109.6L23 I46 V49 F76 G78 M133L23-V56 HydrophobicContact CD1-CG2 4.07Å; I46-V56 HydrophobicContact CD1-CG2 3.96Å; I46-V56 HydrophobicContact CG2-CG2 3.81Å; V49-V56 HydrophobicContact CG2-CG2 4.3Å; V56-F76 HydrophobicContact CG1-CE2 4.38Å; V56-G78 PolarHBondContact N-O 3.05Å; V56-G78 WeakPolarHBondContact O-CA 3.33Å; V56-G78 PolarHBondContact O-N 2.81Å; V56-M133 HydrophobicContact CG1-SD 4.01Å
57Y98.4Very high93.7Very high55 Ų5562.9 Ų62.922%0.21629%0.293CS..EExtended strand (participates in β ladder)trans-131.2141.2-179.7-53.4-84.6000109.3Q47 Y48 M55 Y75 E77Q47-Y57 PolarHBondContact N-O 3.27Å; Y48-Y57 AromaticContact CD1-CD2 3.71Å; Y48-Y57 HydrophobicContact CD1-CD2 3.71Å; Y48-Y57 AromaticContact CD1-CE2 3.93Å; Y48-Y57 HydrophobicContact CD1-CE2 3.93Å; Y48-Y57 HydrophobicContact CE1-CE2 4.47Å; Y48-Y57 HydrophobicContact CG-CD2 4.41Å; Y48-Y57 PolarHBondContact N-O 3.33Å; Y48-Y57 PolarHBondContact O-N 2.81Å; M55-Y57 HydrophobicContact CB-CE2 3.74Å; M55-Y57 WeakPolarHBondContact CB-OH 3.25Å; Y57-Y75 WeakPolarHBondContact CD1-OH 3.47Å; Y57-E77 HydrophobicContact CD1-CB 4.31Å; Y57-E77 HydrophobicContact CD1-CG 3.87Å; Y57-E77 HydrophobicContact CE1-CB 4.34Å; Y57-E77 HydrophobicContact CE1-CG 3.91Å
58G98.3Very high92.7Very high0 Ų064.3 Ų64.30%030%0.299CS..EExtended strand (participates in β ladder)trans-171.2-175.6-177.300000114.3T45 Y75 F76T45-G58 CarbonylContact O-C 3.56Å; T45-G58 WeakPolarHBondContact O-CA 3.33Å; G58-Y75 WeakPolarHBondContact O-CD2 3.01Å; G58-F76 VanDerWaalsContact C-CD1 3.42Å; G58-F76 VanDerWaalsContact CA-CE1 3.47Å; G58-F76 PolarHBondContact N-O 2.82Å; G58-F76 VanDerWaalsContact O-CD1 3.29Å; G58-F76 WeakPolarHBondContact O-CD1 3.47Å; G58-F76 PolarHBondContact O-N 2.94Å
59F98.1Very high91.7Very high65 Ų6561.8 Ų61.829%0.28529%0.289SS..EExtended strand (participates in β ladder)trans-115.5138.7173.3-61.8-73000109.8V44 T45 Q47 T73 T74 Y75 V141V44-F59 CarbonylContact C-O 3.57Å; V44-F59 VanDerWaalsContact CA-O 3.32Å; V44-F59 WeakPolarHBondContact CA-O 3.36Å; T45-F59 PolarHBondContact N-O 3.12Å; T45-F59 PolarHBondContact O-N 3.15Å; Q47-F59 HydrophobicContact CG-CD2 3.59Å; Q47-F59 HydrophobicContact CG-CE2 3.51Å; F59-T73 HydrophobicContact CB-CG2 4.12Å; F59-T73 HydrophobicContact CD1-CG2 4.37Å; F59-T74 CarbonylContact C-O 3.58Å; F59-T74 VanDerWaalsContact CA-O 3.24Å; F59-T74 WeakPolarHBondContact CA-O 3.28Å; F59-Y75 HydrophobicContact CD1-CD2 4.29Å; F59-Y75 AromaticContact CE1-CD2 3.86Å; F59-Y75 HydrophobicContact CE1-CD2 3.86Å; F59-Y75 HydrophobicContact CE1-CG 4.38Å; F59-Y75 HydrophobicContact CZ-CD2 4.3Å; F59-V141 HydrophobicContact CD1-CG2 4.3Å; F59-V141 HydrophobicContact CE1-CG2 3.93Å
60M97.7Very high91.2Very high5 Ų564.2 Ų64.23%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-114.6122.9169.6-174171.28200108.4V42 V44 T73 T74 F76 E137 Y158V42-M60 HydrophobicContact CG1-CG 3.82Å; V42-M60 HydrophobicContact CG1-SD 4.26Å; V44-M60 HydrophobicContact CG2-CB 4.11Å; V44-M60 HydrophobicContact CG2-CG 3.77Å; V44-M60 HydrophobicContact CG2-SD 4.36Å; M60-T73 CarbonylContact O-C 3.55Å; M60-T73 WeakPolarHBondContact O-CA 3.06Å; M60-T74 PolarHBondContact N-O 3.38Å; M60-T74 PolarHBondContact O-N 3.4Å; M60-T74 PolarHBondContact O-OG1 3.49Å; M60-F76 HydrophobicContact CB-CD1 4.24Å; M60-E137 HydrophobicContact CE-CG 4.31Å; M60-E137 WeakPolarHBondContact CE-OE1 3.29Å; M60-Y158 HydrophobicContact CE-CE2 3.89Å; M60-Y158 VanDerWaalsContact CE-OH 3.3Å; M60-Y158 WeakPolarHBondContact CE-OH 3.28Å; M60-Y158 HydrophobicContact SD-CE2 4.44Å
61K96.5Very high90.9Very high68 Ų6864.9 Ų64.930%0.29631%0.313SS..EExtended strand (participates in β ladder)trans-110125.6177.9-175.1-176.2-167.7-150.70108.8V42 E43 E63 S71 L72V42-K61 CarbonylContact C-O 3.55Å; V42-K61 VanDerWaalsContact CA-O 3.23Å; V42-K61 WeakPolarHBondContact CA-O 3.3Å; E43-K61 HydrophobicContact CB-CB 4.39Å; E43-K61 PolarHBondContact N-O 3.2Å; E43-K61 PolarHBondContact O-N 2.9Å; K61-E63 WeakPolarHBondContact CE-OE1 2.97Å; K61-E63 IonicContact NZ-OE1 2.66Å; K61-E63 PolarHBondContact NZ-OE1 2.82Å; K61-S71 WeakPolarHBondContact CE-OG 3.43Å; K61-L72 CarbonylContact C-O 3.35Å; K61-L72 WeakPolarHBondContact CA-O 3.37Å
62I94.9Very high90.9Very high8 Ų860.5 Ų60.54%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-122.1129.8176.7-172.9164.6000110.4Q33 Y40 N41 V42 L65 L72Q33-I62 HydrophobicContact CB-CD1 4.28Å; Y40-I62 HydrophobicContact CD2-CD1 4.39Å; Y40-I62 HydrophobicContact CG-CD1 4.13Å; Y40-I62 HydrophobicContact CG-CG1 4.39Å; N41-I62 WeakPolarHBondContact O-CA 3.23Å; V42-I62 HydrophobicContact CG2-CB 4.22Å; V42-I62 HydrophobicContact CG2-CD1 4.08Å; V42-I62 HydrophobicContact CG2-CG1 3.94Å; I62-L65 HydrophobicContact CD1-CD1 4.24Å; I62-L65 HydrophobicContact CD1-CD2 4.26Å; I62-L65 HydrophobicContact CG1-CB 4.38Å; I62-L65 HydrophobicContact CG2-CB 4.35Å; I62-L65 HydrophobicContact CG2-CD2 4.05Å; I62-L72 HydrophobicContact CG2-CB 3.84Å; I62-L72 HydrophobicContact CG2-CD2 4.29Å; I62-L72 HydrophobicContact CG2-CG 4.42Å; I62-L72 PolarHBondContact N-O 3.01Å; I62-L72 PolarHBondContact O-N 2.77Å
63E93.7Very high90.8Very high50 Ų5054 Ų5423%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-99.8142.7-176.9-55.1-70.6-174.400111.6N41 K61 L65 P70 S71N41-E63 HydrophobicContact CB-CB 4.29Å; N41-E63 HydrophobicContact CB-CG 4.38Å; N41-E63 PolarHBondContact O-N 2.85Å; K61-E63 WeakPolarHBondContact CE-OE1 2.97Å; K61-E63 IonicContact NZ-OE1 2.66Å; K61-E63 PolarHBondContact NZ-OE1 2.82Å; E63-L65 PolarHBondContact O-N 3.35Å; E63-P70 CarbonylContact C-O 3.56Å; E63-P70 WeakPolarHBondContact CA-O 3.48Å; E63-S71 VanDerWaalsContact CD-OG 3.25Å; E63-S71 PolarHBondContact OE1-OG 3.21Å; E63-S71 WeakPolarHBondContact OE2-CA 3.22Å; E63-S71 WeakPolarHBondContact OE2-CB 3.39Å; E63-S71 PolarHBondContact OE2-OG 2.8Å
64N87Confident90.8Very high111 Ų11149.3 Ų49.359%0.59425%0.245SC*.SBendtrans57.528.8174.5-55.9-60.8000114.7Y40 P70Y40-N64 VanDerWaalsContact CE1-O 3.25Å; Y40-N64 WeakPolarHBondContact CE1-O 3.48Å; N64-P70 PolarHBondContact N-O 2.86Å
65L82.5Confident90.8Very high39 Ų3950.2 Ų50.220%0.20425%0.248CC..SBendtrans-66.8-40.6177.1-17460.9000111.7Y40 I62 E63 L72 A152Y40-L65 HydrophobicContact CD1-CB 4.46Å; Y40-L65 HydrophobicContact CD1-CD1 4.18Å; Y40-L65 HydrophobicContact CD2-CD1 4.01Å; Y40-L65 HydrophobicContact CE1-CB 4.49Å; Y40-L65 HydrophobicContact CE1-CD1 3.89Å; Y40-L65 HydrophobicContact CE2-CD1 3.7Å; Y40-L65 HydrophobicContact CG-CD1 4.22Å; I62-L65 HydrophobicContact CD1-CD1 4.24Å; I62-L65 HydrophobicContact CD1-CD2 4.26Å; I62-L65 HydrophobicContact CG1-CB 4.38Å; I62-L65 HydrophobicContact CG2-CB 4.35Å; I62-L65 HydrophobicContact CG2-CD2 4.05Å; E63-L65 PolarHBondContact O-N 3.35Å; L65-L72 HydrophobicContact CD2-CD2 4.2Å; L65-A152 HydrophobicContact CD2-CB 3.46Å; L65-A152 VanDerWaalsContact CD2-CB 3.46Å; L65-A152 HydrophobicContact CG-CB 4.07Å
66T77.2Confident90.8Very high18 Ų1849.2 Ų49.211%0.1124%0.243CC..  trans-133.4156.1-179.574.60000109.9Y69 I149 E150 A152T66-Y69 CarbonylContact O-C 3.5Å; T66-Y69 WeakPolarHBondContact OG1-CA 3.49Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.42Å; T66-Y69 PolarHBondContact OG1-N 3.04Å; T66-Y69 PolarHBondContact OG1-O 3.37Å; T66-I149 HydrophobicContact CG2-CG2 3.95Å; T66-E150 VanDerWaalsContact CG2-O 3.25Å; T66-E150 WeakPolarHBondContact CG2-O 3.4Å; T66-A152 HydrophobicContact CG2-CB 3.75Å
67Q76.8Confident90.8Very high198 Ų19852.2 Ų52.293%0.92526%0.257SS*.SBendtrans-72.1-33.4177-172.11756.700111.8
68E75Confident90.8Very high128 Ų12849.6 Ų49.660%0.59825%0.246SC*.SBendtrans-74.6-37-179.4-168.8-179.6-170.600112.1P70E68-P70 WeakPolarHBondContact O-CD 3.06Å
69Y76.7Confident90.8Very high70 Ų7050.4 Ų50.428%0.27525%0.25SC..  trans-119.585.3175.3-56.3-91.2000109T66 S71 L146 I149T66-Y69 CarbonylContact O-C 3.5Å; T66-Y69 WeakPolarHBondContact OG1-CA 3.49Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.42Å; T66-Y69 PolarHBondContact OG1-N 3.04Å; T66-Y69 PolarHBondContact OG1-O 3.37Å; Y69-S71 PolarHBondContact O-N 2.81Å; Y69-L146 HydrophobicContact CE1-CD2 4.13Å; Y69-I149 HydrophobicContact CD2-CD1 4.03Å; Y69-I149 HydrophobicContact CD2-CG1 4.31Å; Y69-I149 HydrophobicContact CD2-CG2 3.5Å; Y69-I149 VanDerWaalsContact CD2-CG2 3.5Å; Y69-I149 HydrophobicContact CE2-CD1 4.22Å; Y69-I149 HydrophobicContact CE2-CG1 4.13Å; Y69-I149 HydrophobicContact CE2-CG2 3.82Å; Y69-I149 HydrophobicContact CG-CD1 4.2Å; Y69-I149 HydrophobicContact CG-CG2 4.43Å
70P85.1Confident90.8Very high72 Ų7247.7 Ų47.747%0.46824%0.239SC..SBendtrans-65.3-17.2178.227.5-35.4000112E63 N64 E68E63-P70 CarbonylContact C-O 3.56Å; E63-P70 WeakPolarHBondContact CA-O 3.48Å; N64-P70 PolarHBondContact N-O 2.86Å; E68-P70 WeakPolarHBondContact O-CD 3.06Å
71S90.5Very high90.8Very high50 Ų5047.8 Ų47.835%0.3524%0.239SC..EExtended strand (participates in β ladder)trans-138.2114.7175.2-1530000108.7K61 E63 Y69K61-S71 WeakPolarHBondContact CE-OG 3.43Å; E63-S71 VanDerWaalsContact CD-OG 3.25Å; E63-S71 PolarHBondContact OE1-OG 3.21Å; E63-S71 WeakPolarHBondContact OE2-CA 3.22Å; E63-S71 WeakPolarHBondContact OE2-CB 3.39Å; E63-S71 PolarHBondContact OE2-OG 2.8Å; Y69-S71 PolarHBondContact O-N 2.81Å
72L92.6Very high90.9Very high10 Ų1045 Ų455%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-113.7123.5179.4-177.468.1000109.2K61 I62 L65 I140 I149 A152K61-L72 CarbonylContact C-O 3.35Å; K61-L72 WeakPolarHBondContact CA-O 3.37Å; I62-L72 HydrophobicContact CG2-CB 3.84Å; I62-L72 HydrophobicContact CG2-CD2 4.29Å; I62-L72 HydrophobicContact CG2-CG 4.42Å; I62-L72 PolarHBondContact N-O 3.01Å; I62-L72 PolarHBondContact O-N 2.77Å; L65-L72 HydrophobicContact CD2-CD2 4.2Å; L72-I140 HydrophobicContact CD1-CB 4.5Å; L72-I140 HydrophobicContact CD1-CD1 4.12Å; L72-I140 HydrophobicContact CD1-CG1 3.95Å; L72-I140 HydrophobicContact CD1-CG2 3.71Å; L72-I149 HydrophobicContact CD1-CD1 3.33Å; L72-I149 HydrophobicContact CD2-CD1 4.22Å; L72-I149 HydrophobicContact CG-CD1 4.41Å; L72-A152 HydrophobicContact CD2-CB 4.31Å
73T95.3Very high90.9Very high35 Ų3554.1 Ų54.122%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-115.9129.1175.1-57.10000110.1F59 M60 I140 V141F59-T73 HydrophobicContact CB-CG2 4.12Å; F59-T73 HydrophobicContact CD1-CG2 4.37Å; M60-T73 CarbonylContact O-C 3.55Å; M60-T73 WeakPolarHBondContact O-CA 3.06Å; T73-I140 WeakPolarHBondContact O-CA 3.24Å; T73-V141 PolarHBondContact O-N 3.35Å
74T96Very high91.1Very high2 Ų256.6 Ų56.61%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-118.4147.717657.20000110.7F59 M60 E137 F139 I140F59-T74 CarbonylContact C-O 3.58Å; F59-T74 VanDerWaalsContact CA-O 3.24Å; F59-T74 WeakPolarHBondContact CA-O 3.28Å; M60-T74 PolarHBondContact N-O 3.38Å; M60-T74 PolarHBondContact O-N 3.4Å; M60-T74 PolarHBondContact O-OG1 3.49Å; T74-E137 WeakPolarHBondContact CB-OE1 3.36Å; T74-E137 WeakPolarHBondContact CG2-OE1 3.26Å; T74-E137 PolarHBondContact OG1-OE1 2.53Å; T74-F139 CarbonylContact C-O 3.09Å; T74-F139 VanDerWaalsContact CA-O 3.27Å; T74-F139 WeakPolarHBondContact CA-O 3.44Å; T74-I140 HydrophobicContact CG2-CG1 4.05Å
75Y97.5Very high91.6Very high47 Ų4752.9 Ų52.918%0.18426%0.255CS..EExtended strand (participates in β ladder)trans-86.1135.3164.1173.1-104.1000109.4Y57 G58 F59 E77 E137 K138 F139Y57-Y75 WeakPolarHBondContact CD1-OH 3.47Å; G58-Y75 WeakPolarHBondContact O-CD2 3.01Å; F59-Y75 HydrophobicContact CD1-CD2 4.29Å; F59-Y75 AromaticContact CE1-CD2 3.86Å; F59-Y75 HydrophobicContact CE1-CD2 3.86Å; F59-Y75 HydrophobicContact CE1-CG 4.38Å; F59-Y75 HydrophobicContact CZ-CD2 4.3Å; Y75-E77 HydrophobicContact CE1-CG 3.77Å; Y75-E137 WeakPolarHBondContact O-CA 3.4Å; Y75-K138 HydrophobicContact CD1-CB 4.06Å; Y75-K138 HydrophobicContact CD1-CG 4.02Å; Y75-K138 HydrophobicContact CE1-CG 4.22Å; Y75-K138 PolarHBondContact O-N 2.83Å; Y75-F139 HydrophobicContact CD1-CD1 4.16Å; Y75-F139 AromaticContact CD1-CE1 3.4Å; Y75-F139 HydrophobicContact CD1-CE1 3.4Å; Y75-F139 HydrophobicContact CD1-CE2 4.39Å; Y75-F139 AromaticContact CD1-CZ 3.53Å; Y75-F139 HydrophobicContact CD1-CZ 3.53Å; Y75-F139 HydrophobicContact CE1-CE1 4.12Å; Y75-F139 HydrophobicContact CE1-CZ 4.37Å; Y75-F139 HydrophobicContact CG-CE1 4.02Å; Y75-F139 HydrophobicContact CG-CE2 4.19Å; Y75-F139 AromaticContact CG-CZ 3.68Å; Y75-F139 HydrophobicContact CG-CZ 3.68Å; Y75-F139 PolarHBondContact N-O 2.97Å
76F98.4Very high92.3Very high3 Ų353.6 Ų53.61%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-124.3149.8174.774.3-93.3000112.4V44 I46 V56 G58 M60 W135 K136 E137V44-F76 HydrophobicContact CG1-CE1 3.88Å; V44-F76 HydrophobicContact CG1-CZ 3.98Å; I46-F76 HydrophobicContact CD1-CZ 4.04Å; V56-F76 HydrophobicContact CG1-CE2 4.38Å; G58-F76 VanDerWaalsContact C-CD1 3.42Å; G58-F76 VanDerWaalsContact CA-CE1 3.47Å; G58-F76 PolarHBondContact N-O 2.82Å; G58-F76 VanDerWaalsContact O-CD1 3.29Å; G58-F76 WeakPolarHBondContact O-CD1 3.47Å; G58-F76 PolarHBondContact O-N 2.94Å; M60-F76 HydrophobicContact CB-CD1 4.24Å; F76-W135 HydrophobicContact CD2-CB 4.07Å; F76-W135 HydrophobicContact CD2-CD2 4.36Å; F76-W135 AromaticContact CD2-CG 3.97Å; F76-W135 HydrophobicContact CD2-CG 3.97Å; F76-W135 AromaticContact CE2-CD2 3.97Å; F76-W135 HydrophobicContact CE2-CD2 3.97Å; F76-W135 AromaticContact CE2-CG 3.94Å; F76-W135 HydrophobicContact CE2-CG 3.94Å; F76-W135 HydrophobicContact CZ-CD2 4.33Å; F76-K136 WeakPolarHBondContact CA-O 3.35Å; F76-E137 HydrophobicContact CB-CG 4.37Å
77E98.5Very high93.3Very high63 Ų6352.8 Ų52.829%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-109.7134.7164.9-64.8166.8-168.500107.3Y57 Y75 K136 K138Y57-E77 HydrophobicContact CD1-CB 4.31Å; Y57-E77 HydrophobicContact CD1-CG 3.87Å; Y57-E77 HydrophobicContact CE1-CB 4.34Å; Y57-E77 HydrophobicContact CE1-CG 3.91Å; Y75-E77 HydrophobicContact CE1-CG 3.77Å; E77-K136 PolarHBondContact N-O 2.7Å; E77-K136 PolarHBondContact O-N 2.84Å; E77-K138 HydrophobicContact CB-CD 4.42Å; E77-K138 HydrophobicContact CB-CG 4.45Å; E77-K138 HydrophobicContact CG-CD 4.2Å; E77-K138 HydrophobicContact CG-CG 3.94Å; E77-K138 IonicContact OE1-NZ 3.55Å; E77-K138 IonicContact OE2-NZ 2.78Å; E77-K138 PolarHBondContact OE2-NZ 2.92Å
78G98.6Very high94.2Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-125.9143.4-179.900000112.8M55 V56 R134M55-G78 CarbonylContact C-O 3.57Å; M55-G78 VanDerWaalsContact CA-O 3.26Å; M55-G78 WeakPolarHBondContact CA-O 3.24Å; M55-G78 WeakPolarHBondContact CE-O 3.06Å; V56-G78 PolarHBondContact N-O 3.05Å; V56-G78 WeakPolarHBondContact O-CA 3.33Å; V56-G78 PolarHBondContact O-N 2.81Å; G78-R134 CarbonylContact C-O 3.49Å; G78-R134 WeakPolarHBondContact CA-O 3.34Å
79E98.6Very high95.3Very high16 Ų1639.8 Ų39.88%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-101.2130.2175.8-66.2171.6177.600108.9M55 H85 K91 M133 R134M55-E79 HydrophobicContact CE-CG 4.2Å; M55-E79 HydrophobicContact SD-CG 3.94Å; E79-H85 HydrophobicContact CB-CB 3.9Å; E79-H85 HydrophobicContact CG-CB 4.41Å; E79-H85 IonicContact OE1-ND1 3.93Å; E79-K91 WeakPolarHBondContact OE1-CE 3.31Å; E79-K91 IonicContact OE1-NZ 2.53Å; E79-K91 PolarHBondContact OE1-NZ 3.42Å; E79-K91 IonicContact OE2-NZ 3.49Å; E79-K91 PolarHBondContact OE2-NZ 3.13Å; E79-M133 CarbonylContact O-C 3.54Å; E79-M133 WeakPolarHBondContact O-CA 3.3Å; E79-M133 VanDerWaalsContact O-CB 3.31Å; E79-M133 WeakPolarHBondContact O-CB 3.2Å; E79-R134 HydrophobicContact CB-CB 4.48Å; E79-R134 PolarHBondContact N-O 3.07Å; E79-R134 PolarHBondContact O-N 2.86Å; E79-R134 IonicContact OE2-CZ 3.29Å; E79-R134 IonicContact OE2-NE 3.02Å; E79-R134 PolarHBondContact OE2-NE 2.92Å; E79-R134 IonicContact OE2-NH2 2.7Å; E79-R134 PolarHBondContact OE2-NH2 2.8Å
80I98.4Very high96.2Very high9 Ų940.1 Ų40.15%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-89.3121.2170.9-57.7169.7000107.6L23 V49 M51 K54 S82 I131 M133L23-I80 HydrophobicContact CD2-CD1 4.09Å; V49-I80 HydrophobicContact CG1-CD1 4.17Å; M51-I80 HydrophobicContact SD-CD1 3.89Å; K54-I80 HydrophobicContact CB-CB 4.06Å; K54-I80 HydrophobicContact CD-CB 4.45Å; K54-I80 HydrophobicContact CD-CG2 4.32Å; K54-I80 WeakPolarHBondContact O-CB 3.29Å; K54-I80 PolarHBondContact O-N 3.1Å; I80-S82 PolarHBondContact O-N 2.88Å; I80-S82 PolarHBondContact O-OG 2.83Å; I80-I131 HydrophobicContact CG2-CG2 3.83Å; I80-M133 HydrophobicContact CG1-CG 4.09Å; I80-M133 HydrophobicContact CG1-SD 4.36Å
81I98.2Very high96.8Very high7 Ų740.6 Ų40.64%0.03622%0.217CC..PPolyproline II helixtrans-62.3126.6-174.7-57.9-57.4000110.2H85 F87 W103 Y122 L125 F132 R134I81-H85 WeakPolarHBondContact CA-O 3.39Å; I81-F87 HydrophobicContact CG2-CD1 4.05Å; I81-F87 HydrophobicContact CG2-CD2 3.67Å; I81-F87 HydrophobicContact CG2-CE1 4Å; I81-F87 HydrophobicContact CG2-CE2 3.62Å; I81-F87 HydrophobicContact CG2-CG 3.89Å; I81-F87 HydrophobicContact CG2-CZ 3.77Å; I81-W103 HydrophobicContact CD1-CH2 4.03Å; I81-W103 HydrophobicContact CD1-CZ2 3.73Å; I81-W103 HydrophobicContact CG1-CH2 3.78Å; I81-W103 HydrophobicContact CG1-CZ2 3.9Å; I81-Y122 HydrophobicContact CG2-CD1 4.35Å; I81-Y122 HydrophobicContact CG2-CE1 3.85Å; I81-L125 HydrophobicContact CB-CD1 4.43Å; I81-L125 HydrophobicContact CG2-CD1 3.94Å; I81-F132 HydrophobicContact CB-CB 3.81Å; I81-F132 HydrophobicContact CG1-CB 3.63Å; I81-F132 WeakPolarHBondContact CG1-O 3.34Å; I81-F132 PolarHBondContact N-O 3.21Å; I81-R134 HydrophobicContact CD1-CG 4.45Å
82S96.9Very high97Very high9 Ų942 Ų426%0.06322%0.215CC..SBendtrans-168.5-175.6-172.962.70000109K54 I80 L84 H85 Y122K54-S82 WeakPolarHBondContact CG-OG 3.32Å; I80-S82 PolarHBondContact O-N 2.88Å; I80-S82 PolarHBondContact O-OG 2.83Å; S82-L84 PolarHBondContact O-N 2.86Å; S82-L84 PolarHBondContact OG-N 3.11Å; S82-H85 PolarHBondContact N-O 3.41Å; S82-H85 VanDerWaalsContact N-O 3.07Å; S82-H85 CarbonylContact O-C 3.42Å; S82-H85 PolarHBondContact O-N 2.89Å; S82-H85 VanDerWaalsContact O-N 3.15Å; S82-H85 PolarHBondContact OG-N 2.89Å; S82-Y122 WeakPolarHBondContact O-CE1 3.44Å
83R95.6Very high97.2Very high199 Ų19946.9 Ų46.975%0.75124%0.241SC*.SBendtrans-59.1-29170.5-172.2-178.1-66.8-117-0.7113Y122R83-Y122 HydrophobicContact CB-CD2 4.35Å
84L97Very high97.3Very high103 Ų10345.8 Ų45.854%0.53924%0.235SC..SBendtrans-74.4-34177.5-65.3179.2000112K54 S82K54-L84 HydrophobicContact CB-CD1 4.44Å; K54-L84 HydrophobicContact CG-CD1 4.16Å; S82-L84 PolarHBondContact O-N 2.86Å; S82-L84 PolarHBondContact OG-N 3.11Å
85H97.5Very high97.3Very high33 Ų3349.1 Ų49.115%0.15326%0.256CS..SBendtrans-130.983.2-179.7-56.3-65.4000109.2Q53 K54 M55 E79 I81 S82Q53-H85 PolarHBondContact O-NE2 3.09Å; K54-H85 PolarHBondContact O-CD2 3.41Å; M55-H85 PolarHBondContact SD-NE2 2.92Å; M55-H85 VanDerWaalsContact SD-NE2 3.37Å; E79-H85 HydrophobicContact CB-CB 3.9Å; E79-H85 HydrophobicContact CG-CB 4.41Å; E79-H85 IonicContact OE1-ND1 3.93Å; I81-H85 WeakPolarHBondContact CA-O 3.39Å; S82-H85 PolarHBondContact N-O 3.41Å; S82-H85 VanDerWaalsContact N-O 3.07Å; S82-H85 CarbonylContact O-C 3.42Å; S82-H85 PolarHBondContact O-N 2.89Å; S82-H85 VanDerWaalsContact O-N 3.15Å; S82-H85 PolarHBondContact OG-N 2.89Å
86P97.5Very high97.2Very high54 Ų5453 Ų5335%0.35128%0.277SS..  trans-58.7165.1-176.6-28.838.3000113.7M88 Y122 R134P86-M88 PolarHBondContact O-N 2.83Å; P86-Y122 WeakPolarHBondContact CA-OH 3.38Å; P86-Y122 VanDerWaalsContact CB-OH 3.25Å; P86-Y122 WeakPolarHBondContact CB-OH 3.28Å; P86-R134 PolarHBondContact O-NH1 2.68Å; P86-R134 PolarHBondContact O-NH2 3.08Å
87F98.1Very high97.1Very high0 Ų059.4 Ų59.40%031%0.307CS..SBendtrans-59.2-36.1173.6-84.6-80.1000112.8I81 T89 W103 L112 F115 F120 Y122 L125 F132 R134I81-F87 HydrophobicContact CG2-CD1 4.05Å; I81-F87 HydrophobicContact CG2-CD2 3.67Å; I81-F87 HydrophobicContact CG2-CE1 4Å; I81-F87 HydrophobicContact CG2-CE2 3.62Å; I81-F87 HydrophobicContact CG2-CG 3.89Å; I81-F87 HydrophobicContact CG2-CZ 3.77Å; F87-T89 PolarHBondContact O-N 3.08Å; F87-W103 AromaticContact CD1-CD1 3.73Å; F87-W103 AromaticContact CD1-CD2 3.66Å; F87-W103 HydrophobicContact CD1-CD2 3.66Å; F87-W103 AromaticContact CD1-CE2 3.55Å; F87-W103 HydrophobicContact CD1-CE3 4.29Å; F87-W103 AromaticContact CD1-CG 3.78Å; F87-W103 HydrophobicContact CD1-CG 3.78Å; F87-W103 HydrophobicContact CD1-CZ2 4.13Å; F87-W103 AromaticContact CD1-NE1 3.61Å; F87-W103 AromaticContact CE1-CD2 3.94Å; F87-W103 HydrophobicContact CE1-CD2 3.94Å; F87-W103 HydrophobicContact CE1-CE3 4.11Å; F87-W103 HydrophobicContact CE1-CG 4.29Å; F87-W103 PolarHBondContact O-NE1 3.34Å; F87-L112 HydrophobicContact CE1-CD1 4.2Å; F87-L112 HydrophobicContact CE2-CD1 3.95Å; F87-L112 HydrophobicContact CZ-CD1 3.43Å; F87-L112 VanDerWaalsContact CZ-CD1 3.43Å; F87-F115 HydrophobicContact CB-CD2 3.8Å; F87-F115 HydrophobicContact CD1-CD2 4.05Å; F87-F115 HydrophobicContact CD2-CB 3.78Å; F87-F115 HydrophobicContact CD2-CD2 4.33Å; F87-F115 HydrophobicContact CD2-CG 4.42Å; F87-F115 HydrophobicContact CE2-CB 4.04Å; F87-F115 HydrophobicContact CG-CB 4.14Å; F87-F115 AromaticContact CG-CD2 3.81Å; F87-F115 HydrophobicContact CG-CD2 3.81Å; F87-F115 HydrophobicContact CG-CG 4.3Å; F87-F120 HydrophobicContact CD2-CD1 4.37Å; F87-F120 HydrophobicContact CD2-CE1 4.08Å; F87-F120 HydrophobicContact CE2-CD1 4.42Å; F87-F120 AromaticContact CE2-CE1 3.69Å; F87-F120 HydrophobicContact CE2-CE1 3.69Å; F87-F120 HydrophobicContact CE2-CZ 4.04Å; F87-Y122 AromaticContact CD2-CE1 3.83Å; F87-Y122 HydrophobicContact CD2-CE1 3.83Å; F87-Y122 HydrophobicContact CE2-CE1 4.2Å; F87-Y122 PolarHBondContact N-OH 2.9Å; F87-Y122 VanDerWaalsContact N-OH 3.08Å; F87-L125 HydrophobicContact CE2-CD1 3.95Å; F87-L125 HydrophobicContact CE2-CD2 4.47Å; F87-L125 HydrophobicContact CZ-CD1 4.21Å; F87-L125 HydrophobicContact CZ-CD2 4.39Å; F87-F132 HydrophobicContact CE1-CB 4.15Å; F87-F132 HydrophobicContact CE1-CD1 4.04Å; F87-F132 HydrophobicContact CE1-CD2 4.44Å; F87-F132 AromaticContact CE1-CG 3.96Å; F87-F132 HydrophobicContact CE1-CG 3.96Å; F87-F132 HydrophobicContact CZ-CB 4.3Å; F87-F132 HydrophobicContact CZ-CD1 4.38Å; F87-F132 HydrophobicContact CZ-CD2 4Å; F87-F132 HydrophobicContact CZ-CE2 4.42Å; F87-F132 AromaticContact CZ-CG 3.98Å; F87-F132 HydrophobicContact CZ-CG 3.98Å; F87-R134 PolarHBondContact O-NH1 3.11Å; F87-R134 VanDerWaalsContact O-NH1 3.08Å
88M97.3Very high97Very high43 Ų4357.2 Ų57.221%0.21230%0.298CS..SBendtrans-75.6121.6176.2-58.4-58.295.400109.8P86 M96 D99 V100 F115 H116P86-M88 PolarHBondContact O-N 2.83Å; M88-M96 HydrophobicContact SD-CB 4.2Å; M88-M96 HydrophobicContact SD-CG 3.64Å; M88-D99 WeakPolarHBondContact CA-OD2 3.43Å; M88-D99 HydrophobicContact CE-CB 3.7Å; M88-D99 HydrophobicContact SD-CB 4.13Å; M88-V100 HydrophobicContact CE-CG2 4.39Å; M88-F115 HydrophobicContact CE-CD2 4.05Å; M88-F115 HydrophobicContact CE-CE2 3.92Å; M88-H116 HydrophobicContact CE-CB 3.87Å; M88-H116 HydrophobicContact SD-CB 3.98Å
89T97.3Very high97Very high11 Ų1157.3 Ų57.37%0.06730%0.298CS..  trans-77.1-44.7-168.8-630000111.6F87 K91 W92 A94 D99 R134 F157F87-T89 PolarHBondContact O-N 3.08Å; T89-K91 HydrophobicContact CG2-CG 3.69Å; T89-K91 WeakPolarHBondContact CG2-O 3.45Å; T89-K91 WeakPolarHBondContact O-CG 3.43Å; T89-K91 PolarHBondContact O-N 3.03Å; T89-K91 VanDerWaalsContact O-N 3.07Å; T89-W92 HydrophobicContact CG2-CE3 3.81Å; T89-W92 HydrophobicContact CG2-CZ3 4.26Å; T89-A94 HydrophobicContact CG2-CB 4.13Å; T89-D99 VanDerWaalsContact CB-OD1 3.24Å; T89-D99 WeakPolarHBondContact CB-OD1 3.24Å; T89-D99 PolarHBondContact N-OD2 3.27Å; T89-D99 PolarHBondContact OG1-OD1 2.91Å; T89-R134 WeakPolarHBondContact OG1-CD 2.93Å; T89-R134 PolarHBondContact OG1-NH1 2.84Å; T89-F157 HydrophobicContact CG2-CE1 4.43Å; T89-F157 HydrophobicContact CG2-CE2 4.4Å; T89-F157 HydrophobicContact CG2-CZ 3.91Å
90G95.7Very high96.9Very high77 Ų7757.8 Ų57.879%0.79430%0.303SS*.  trans62.213.6177.400000115.3
91K97.1Very high96.8Very high81 Ų8160.7 Ų60.735%0.35232%0.318SS..SBendtrans-154.4175.2-179.164.3-169.1168.1-161.10110.4E79 T89 D93 A94E79-K91 WeakPolarHBondContact OE1-CE 3.31Å; E79-K91 IonicContact OE1-NZ 2.53Å; E79-K91 PolarHBondContact OE1-NZ 3.42Å; E79-K91 IonicContact OE2-NZ 3.49Å; E79-K91 PolarHBondContact OE2-NZ 3.13Å; T89-K91 HydrophobicContact CG2-CG 3.69Å; T89-K91 WeakPolarHBondContact CG2-O 3.45Å; T89-K91 WeakPolarHBondContact O-CG 3.43Å; T89-K91 PolarHBondContact O-N 3.03Å; T89-K91 VanDerWaalsContact O-N 3.07Å; K91-D93 PolarHBondContact O-N 3.45Å; K91-A94 PolarHBondContact O-N 2.94Å
92W96Very high96.8Very high81 Ų8160.3 Ų60.331%0.30732%0.316SS..THydrogen-bonded Turntrans55.736.1178.4-47-38.3000113.4T89 A94 R134 K136 F157T89-W92 HydrophobicContact CG2-CE3 3.81Å; T89-W92 HydrophobicContact CG2-CZ3 4.26Å; W92-A94 PolarHBondContact O-N 3.35Å; W92-R134 HydrophobicContact CZ3-CB 4.33Å; W92-K136 HydrophobicContact CD2-CD 3.99Å; W92-K136 HydrophobicContact CE3-CD 4.36Å; W92-K136 HydrophobicContact CG-CD 4.39Å; W92-K136 HydrophobicContact CH2-CB 3.83Å; W92-K136 HydrophobicContact CH2-CD 4.48Å; W92-K136 HydrophobicContact CH2-CG 4.3Å; W92-K136 HydrophobicContact CZ2-CB 3.91Å; W92-K136 HydrophobicContact CZ2-CD 4.14Å; W92-K136 HydrophobicContact CZ2-CG 3.9Å; W92-K136 HydrophobicContact CZ3-CB 4.38Å; W92-F157 HydrophobicContact CB-CD1 3.85Å; W92-F157 HydrophobicContact CB-CE1 3.85Å; W92-F157 HydrophobicContact CD2-CD1 4.15Å; W92-F157 HydrophobicContact CD2-CG 4.47Å; W92-F157 HydrophobicContact CE3-CB 3.98Å; W92-F157 AromaticContact CE3-CD1 3.5Å; W92-F157 HydrophobicContact CE3-CD1 3.5Å; W92-F157 VanDerWaalsContact CE3-CD1 3.5Å; W92-F157 AromaticContact CE3-CD2 3.92Å; W92-F157 HydrophobicContact CE3-CD2 3.92Å; W92-F157 AromaticContact CE3-CE1 3.79Å; W92-F157 HydrophobicContact CE3-CE1 3.79Å; W92-F157 HydrophobicContact CE3-CE2 4.21Å; W92-F157 AromaticContact CE3-CG 3.55Å; W92-F157 HydrophobicContact CE3-CG 3.55Å; W92-F157 HydrophobicContact CE3-CZ 4.13Å; W92-F157 HydrophobicContact CG-CD1 4.35Å; W92-F157 HydrophobicContact CZ3-CB 4.17Å; W92-F157 HydrophobicContact CZ3-CD1 4.36Å; W92-F157 HydrophobicContact CZ3-CD2 4.02Å; W92-F157 HydrophobicContact CZ3-CE2 4.45Å; W92-F157 AromaticContact CZ3-CG 3.96Å; W92-F157 HydrophobicContact CZ3-CG 3.96Å
93D95.7Very high96.9Very high112 Ų11259.9 Ų59.960%0.59931%0.313SS*.THydrogen-bonded Turntrans616.9-179.6-51.4-55.2000115.5K91 T95 Y174 L176K91-D93 PolarHBondContact O-N 3.45Å; D93-T95 PolarHBondContact O-N 2.89Å; D93-Y174 PolarHBondContact O-OH 3.42Å; D93-Y174 VanDerWaalsContact O-OH 3.09Å; D93-L176 HydrophobicContact CB-CB 4.29Å; D93-L176 HydrophobicContact CB-CD2 4.34Å
94A96.6Very high96.9Very high11 Ų1156.1 Ų56.19%0.09130%0.304CS..  trans-73.1123.9176.100000111T89 K91 W92 T98 F157 Y174T89-A94 HydrophobicContact CG2-CB 4.13Å; K91-A94 PolarHBondContact O-N 2.94Å; W92-A94 PolarHBondContact O-N 3.35Å; A94-T98 HydrophobicContact CB-CG2 4.48Å; A94-F157 HydrophobicContact CB-CE1 3.97Å; A94-F157 HydrophobicContact CB-CZ 3.79Å; A94-Y174 HydrophobicContact CB-CD1 4.43Å; A94-Y174 HydrophobicContact CB-CE1 4.01Å
95T96Very high96.9Very high73 Ų7355.3 Ų55.345%0.44830%0.296SS..  trans-86.7161.9170.364.40000110.7D93 E97 T98 D99D93-T95 PolarHBondContact O-N 2.89Å; T95-E97 PolarHBondContact O-N 3.1Å; T95-T98 WeakPolarHBondContact O-CA 3.33Å; T95-T98 VanDerWaalsContact O-CB 3.29Å; T95-T98 WeakPolarHBondContact O-CB 3.42Å; T95-T98 PolarHBondContact O-N 3.47Å; T95-T98 PolarHBondContact OG1-N 2.92Å; T95-T98 VanDerWaalsContact OG1-N 3.11Å; T95-T98 PolarHBondContact OG1-OG1 3.31Å; T95-D99 PolarHBondContact O-N 3.48Å
96M96.3Very high96.9Very high127 Ų12753.9 Ų53.963%0.62629%0.29SS*.Hα-helixtrans-53.3-41.3171.3177.3177.279.100112.1M88 T98 D99 V100M88-M96 HydrophobicContact SD-CB 4.2Å; M88-M96 HydrophobicContact SD-CG 3.64Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 2.77Å; M96-D99 PolarHBondContact O-N 2.9Å; M96-V100 VanDerWaalsContact O-CG2 3.31Å; M96-V100 WeakPolarHBondContact O-CG2 3.22Å; M96-V100 PolarHBondContact O-N 2.83Å
97E96.4Very high96.9Very high139 Ų13955.7 Ų55.765%0.6530%0.301SS*.Hα-helixtrans-61-43.7175.4-178.1180-174.300111.5T95 V100 L101T95-E97 PolarHBondContact O-N 3.1Å; E97-V100 PolarHBondContact O-N 3.27Å; E97-L101 HydrophobicContact CG-CD1 3.98Å; E97-L101 HydrophobicContact CG-CG 4.46Å; E97-L101 WeakPolarHBondContact O-CB 3.18Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.05Å; E97-L101 PolarHBondContact O-N 3.24Å
98T96.7Very high96.7Very high16 Ų1656.8 Ų56.810%0.09831%0.31CS..Hα-helixtrans-59.9-49.4175.4-59.40000111A94 T95 M96 V100 L101 H102 Y174A94-T98 HydrophobicContact CB-CG2 4.48Å; T95-T98 WeakPolarHBondContact O-CA 3.33Å; T95-T98 VanDerWaalsContact O-CB 3.29Å; T95-T98 WeakPolarHBondContact O-CB 3.42Å; T95-T98 PolarHBondContact O-N 3.47Å; T95-T98 PolarHBondContact OG1-N 2.92Å; T95-T98 VanDerWaalsContact OG1-N 3.11Å; T95-T98 PolarHBondContact OG1-OG1 3.31Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 2.77Å; T98-V100 PolarHBondContact O-N 3.35Å; T98-L101 PolarHBondContact O-N 2.91Å; T98-H102 PolarHBondContact O-N 3.27Å; T98-H102 PolarHBondContact O-ND1 3.17Å; T98-Y174 HydrophobicContact CG2-CD1 4.13Å; T98-Y174 HydrophobicContact CG2-CD2 3.4Å; T98-Y174 VanDerWaalsContact CG2-CD2 3.4Å; T98-Y174 HydrophobicContact CG2-CE1 4Å; T98-Y174 HydrophobicContact CG2-CE2 3.24Å; T98-Y174 HydrophobicContact CG2-CG 3.83Å
99D97.7Very high96.6Very high2 Ų254.9 Ų54.91%0.01130%0.301CS..Hα-helixtrans-56.9-50.8179.8-74.6-46.6000110.4M88 T89 T95 M96 L101 H102 W103 Y159M88-D99 WeakPolarHBondContact CA-OD2 3.43Å; M88-D99 HydrophobicContact CE-CB 3.7Å; M88-D99 HydrophobicContact SD-CB 4.13Å; T89-D99 VanDerWaalsContact CB-OD1 3.24Å; T89-D99 WeakPolarHBondContact CB-OD1 3.24Å; T89-D99 PolarHBondContact N-OD2 3.27Å; T89-D99 PolarHBondContact OG1-OD1 2.91Å; T95-D99 PolarHBondContact O-N 3.48Å; M96-D99 PolarHBondContact O-N 2.9Å; D99-L101 PolarHBondContact O-N 3.15Å; D99-H102 PolarHBondContact O-N 2.88Å; D99-W103 WeakPolarHBondContact O-CB 3.35Å; D99-W103 PolarHBondContact O-N 3.08Å; D99-Y159 HydrophobicContact CB-CE1 4.47Å; D99-Y159 VanDerWaalsContact OD1-CE1 3.32Å; D99-Y159 WeakPolarHBondContact OD1-CE1 3.36Å; D99-Y159 PolarHBondContact OD1-OH 3.13Å
100V96.8Very high96.4Very high27 Ų2759.5 Ų59.516%0.16433%0.334CS..Hα-helixtrans-58.4-51.1179.3171.40000110.8M88 M96 E97 T98 H102 W103 E104 F115 H116M88-V100 HydrophobicContact CE-CG2 4.39Å; M96-V100 VanDerWaalsContact O-CG2 3.31Å; M96-V100 WeakPolarHBondContact O-CG2 3.22Å; M96-V100 PolarHBondContact O-N 2.83Å; E97-V100 PolarHBondContact O-N 3.27Å; T98-V100 PolarHBondContact O-N 3.35Å; V100-H102 VanDerWaalsContact C-N 3.26Å; V100-H102 PolarHBondContact O-N 3.24Å; V100-W103 PolarHBondContact O-N 3.29Å; V100-E104 HydrophobicContact CG1-CG 4.23Å; V100-E104 WeakPolarHBondContact O-CB 3.26Å; V100-E104 VanDerWaalsContact O-CG 3.28Å; V100-E104 WeakPolarHBondContact O-CG 3.33Å; V100-E104 PolarHBondContact O-N 3.07Å; V100-F115 HydrophobicContact CB-CZ 4.44Å; V100-F115 HydrophobicContact CG1-CZ 4.35Å; V100-F115 HydrophobicContact CG2-CE2 4.14Å; V100-F115 HydrophobicContact CG2-CZ 4.23Å; V100-H116 HydrophobicContact CG2-CB 4.05Å
101L96.9Very high96.2Very high69 Ų6960.6 Ų60.636%0.36133%0.329SS..Hα-helixtrans-60.4-33-178.7-73.7174.7000113.4E97 T98 D99 M180 F181E97-L101 HydrophobicContact CG-CD1 3.98Å; E97-L101 HydrophobicContact CG-CG 4.46Å; E97-L101 WeakPolarHBondContact O-CB 3.18Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.05Å; E97-L101 PolarHBondContact O-N 3.24Å; T98-L101 PolarHBondContact O-N 2.91Å; D99-L101 PolarHBondContact O-N 3.15Å; L101-M180 HydrophobicContact CD1-CE 4.13Å; L101-F181 HydrophobicContact CB-CZ 4.22Å
102H97.9Very high96Very high0 Ų057.7 Ų57.70%032%0.318CS..Hα-helixtrans-82.4-44.2178.4-72.374.4000112.2T98 D99 V100 E104 K105 Y159 Y174 F181T98-H102 PolarHBondContact O-N 3.27Å; T98-H102 PolarHBondContact O-ND1 3.17Å; D99-H102 PolarHBondContact O-N 2.88Å; V100-H102 VanDerWaalsContact C-N 3.26Å; V100-H102 PolarHBondContact O-N 3.24Å; H102-E104 VanDerWaalsContact C-N 3.32Å; H102-E104 PolarHBondContact O-N 2.83Å; H102-K105 WeakPolarHBondContact O-CB 3.27Å; H102-K105 PolarHBondContact O-N 2.72Å; H102-K105 VanDerWaalsContact O-N 3.15Å; H102-Y159 HydrophobicContact CB-CD1 3.9Å; H102-Y159 HydrophobicContact CB-CD2 3.41Å; H102-Y159 VanDerWaalsContact CB-CD2 3.41Å; H102-Y159 HydrophobicContact CB-CE1 4.04Å; H102-Y159 HydrophobicContact CB-CE2 3.56Å; H102-Y159 HydrophobicContact CB-CG 3.57Å; H102-Y159 AromaticContact CD2-CD2 3.61Å; H102-Y159 AromaticContact CD2-CE2 3.71Å; H102-Y159 AromaticContact CG-CD2 3.59Å; H102-Y159 AromaticContact CG-CE2 3.48Å; H102-Y159 VanDerWaalsContact CG-CE2 3.48Å; H102-Y174 AromaticContact CE1-CD2 3.6Å; H102-Y174 AromaticContact NE2-CD2 3.84Å; H102-F181 AromaticContact CD2-CD1 3.68Å; H102-F181 AromaticContact CD2-CE1 3.74Å; H102-F181 AromaticContact CE1-CE1 3.73Å; H102-F181 AromaticContact CG-CE1 3.81Å; H102-F181 AromaticContact ND1-CE1 3.81Å; H102-F181 AromaticContact NE2-CD1 3.66Å; H102-F181 AromaticContact NE2-CE1 3.67Å
103W97.9Very high95.6Very high0 Ų056.1 Ų56.10%033%0.326CS..Hα-helixtrans-62.3-39.6177.7-72.5125.7000111.9I81 F87 D99 V100 K105 I106 T109 F115 F132 M133 R134 Y159I81-W103 HydrophobicContact CD1-CH2 4.03Å; I81-W103 HydrophobicContact CD1-CZ2 3.73Å; I81-W103 HydrophobicContact CG1-CH2 3.78Å; I81-W103 HydrophobicContact CG1-CZ2 3.9Å; F87-W103 AromaticContact CD1-CD1 3.73Å; F87-W103 AromaticContact CD1-CD2 3.66Å; F87-W103 HydrophobicContact CD1-CD2 3.66Å; F87-W103 AromaticContact CD1-CE2 3.55Å; F87-W103 HydrophobicContact CD1-CE3 4.29Å; F87-W103 AromaticContact CD1-CG 3.78Å; F87-W103 HydrophobicContact CD1-CG 3.78Å; F87-W103 HydrophobicContact CD1-CZ2 4.13Å; F87-W103 AromaticContact CD1-NE1 3.61Å; F87-W103 AromaticContact CE1-CD2 3.94Å; F87-W103 HydrophobicContact CE1-CD2 3.94Å; F87-W103 HydrophobicContact CE1-CE3 4.11Å; F87-W103 HydrophobicContact CE1-CG 4.29Å; F87-W103 PolarHBondContact O-NE1 3.34Å; D99-W103 WeakPolarHBondContact O-CB 3.35Å; D99-W103 PolarHBondContact O-N 3.08Å; V100-W103 PolarHBondContact O-N 3.29Å; W103-K105 PolarHBondContact O-N 2.86Å; W103-K105 VanDerWaalsContact O-N 3.14Å; W103-I106 HydrophobicContact CE3-CD1 3.6Å; W103-I106 HydrophobicContact CZ3-CD1 3.66Å; W103-I106 WeakPolarHBondContact O-CB 3.44Å; W103-I106 PolarHBondContact O-N 2.8Å; W103-T109 HydrophobicContact CB-CG2 4.09Å; W103-T109 WeakPolarHBondContact O-CB 3.41Å; W103-T109 PolarHBondContact O-OG1 3.4Å; W103-F115 HydrophobicContact CB-CE2 3.96Å; W103-F115 HydrophobicContact CB-CZ 3.93Å; W103-F115 HydrophobicContact CG-CE2 4.31Å; W103-F132 AromaticContact CE3-CD1 3.95Å; W103-F132 HydrophobicContact CE3-CD1 3.95Å; W103-F132 HydrophobicContact CH2-CB 4.26Å; W103-F132 HydrophobicContact CZ3-CB 4.01Å; W103-F132 AromaticContact CZ3-CD1 3.85Å; W103-F132 HydrophobicContact CZ3-CD1 3.85Å; W103-F132 HydrophobicContact CZ3-CG 4.42Å; W103-M133 VanDerWaalsContact CH2-O 3.29Å; W103-M133 WeakPolarHBondContact CH2-O 3.43Å; W103-R134 HydrophobicContact CH2-CG 4.26Å; W103-R134 HydrophobicContact CZ2-CG 3.97Å; W103-Y159 AromaticContact CD2-CD1 3.77Å; W103-Y159 HydrophobicContact CD2-CD1 3.77Å; W103-Y159 HydrophobicContact CD2-CE1 4.47Å; W103-Y159 AromaticContact CE2-CD1 3.4Å; W103-Y159 VanDerWaalsContact CE2-CD1 3.4Å; W103-Y159 AromaticContact CE2-CE1 3.88Å; W103-Y159 HydrophobicContact CE3-CD1 4.25Å; W103-Y159 HydrophobicContact CG-CD1 4.27Å; W103-Y159 HydrophobicContact CH2-CD1 4.07Å; W103-Y159 AromaticContact CZ2-CD1 3.58Å; W103-Y159 HydrophobicContact CZ2-CD1 3.58Å; W103-Y159 HydrophobicContact CZ2-CE1 4.23Å; W103-Y159 HydrophobicContact CZ3-CD1 4.37Å; W103-Y159 AromaticContact NE1-CD1 3.68Å; W103-Y159 AromaticContact NE1-CE1 3.67Å
104E96.8Very high95.4Very high120 Ų12055.5 Ų55.556%0.56132%0.323SS*.THydrogen-bonded Turntrans-64.1-16.5177.7-74.3-178.3165.200113.9V100 H102 I106 F115V100-E104 HydrophobicContact CG1-CG 4.23Å; V100-E104 WeakPolarHBondContact O-CB 3.26Å; V100-E104 VanDerWaalsContact O-CG 3.28Å; V100-E104 WeakPolarHBondContact O-CG 3.33Å; V100-E104 PolarHBondContact O-N 3.07Å; H102-E104 VanDerWaalsContact C-N 3.32Å; H102-E104 PolarHBondContact O-N 2.83Å; E104-I106 VanDerWaalsContact C-N 3.31Å; E104-F115 HydrophobicContact CG-CE1 4.35Å; E104-F115 HydrophobicContact CG-CZ 4.3Å
105K97.3Very high95.3Very high85 Ų8555.3 Ų55.337%0.3732%0.32SS..THydrogen-bonded Turntrans-76.5-17.9171-65.6-149.7178.1-59.50113.8H102 W103 P107 Y172 F181H102-K105 WeakPolarHBondContact O-CB 3.27Å; H102-K105 PolarHBondContact O-N 2.72Å; H102-K105 VanDerWaalsContact O-N 3.15Å; W103-K105 PolarHBondContact O-N 2.86Å; W103-K105 VanDerWaalsContact O-N 3.14Å; K105-P107 WeakPolarHBondContact O-CD 3.29Å; K105-Y172 HydrophobicContact CB-CD2 3.7Å; K105-Y172 HydrophobicContact CB-CE1 4.31Å; K105-Y172 HydrophobicContact CB-CE2 3.25Å; K105-Y172 HydrophobicContact CB-CG 4.4Å; K105-Y172 HydrophobicContact CD-CD1 4.1Å; K105-Y172 HydrophobicContact CD-CE1 3.82Å; K105-Y172 HydrophobicContact CD-CE2 4.28Å; K105-Y172 HydrophobicContact CD-CG 4.42Å; K105-Y172 HydrophobicContact CG-CE2 4.38Å; K105-F181 HydrophobicContact CD-CB 4.15Å; K105-F181 HydrophobicContact CD-CD1 3.48Å; K105-F181 VanDerWaalsContact CD-CD1 3.48Å; K105-F181 HydrophobicContact CD-CD2 4.26Å; K105-F181 HydrophobicContact CD-CE1 3.82Å; K105-F181 HydrophobicContact CD-CG 3.71Å; K105-F181 HydrophobicContact CD-CZ 4.33Å; K105-F181 HydrophobicContact CG-CD1 4.27Å; K105-F181 HydrophobicContact CG-CE1 4.2Å
106I97.8Very high95.1Very high4 Ų455 Ų552%0.02131%0.314CS..SBendtrans-83.9115.5173.9-66.8163.1000107.2W103 E104 A108 T109 F132 Y172W103-I106 HydrophobicContact CE3-CD1 3.6Å; W103-I106 HydrophobicContact CZ3-CD1 3.66Å; W103-I106 WeakPolarHBondContact O-CB 3.44Å; W103-I106 PolarHBondContact O-N 2.8Å; E104-I106 VanDerWaalsContact C-N 3.31Å; I106-A108 PolarHBondContact O-N 3.08Å; I106-T109 VanDerWaalsContact O-CB 3.26Å; I106-T109 WeakPolarHBondContact O-CB 3.49Å; I106-T109 PolarHBondContact O-N 2.81Å; I106-T109 PolarHBondContact O-OG1 3.48Å; I106-T109 VanDerWaalsContact O-OG1 3.07Å; I106-F132 HydrophobicContact CB-CE1 4.36Å; I106-F132 HydrophobicContact CG2-CD1 4.25Å; I106-F132 HydrophobicContact CG2-CE1 3.67Å; I106-Y172 HydrophobicContact CG1-CD2 4.41Å; I106-Y172 HydrophobicContact CG1-CE2 4.32Å
107P96.1Very high94.9Very high92 Ų9252 Ų5260%0.59730%0.299SS*.G310 helixtrans-54.6-35.9-169.1-30.336000114.9K105 T109 S110 L170K105-P107 WeakPolarHBondContact O-CD 3.29Å; P107-T109 PolarHBondContact O-N 2.78Å; P107-S110 PolarHBondContact O-N 2.88Å; P107-S110 PolarHBondContact O-OG 3.41Å; P107-L170 HydrophobicContact CG-CD2 4.44Å
108A94.9Very high94.6Very high23 Ų2353.5 Ų53.519%0.1931%0.312CS..G310 helixtrans-65.8-17.2179.700000114I106 S110 S111 T130 F132I106-A108 PolarHBondContact O-N 3.08Å; A108-S110 PolarHBondContact O-N 2.92Å; A108-S111 PolarHBondContact O-OG 2.8Å; A108-T130 HydrophobicContact CB-CG2 3.93Å; A108-T130 WeakPolarHBondContact CB-OG1 3.43Å; A108-F132 HydrophobicContact CB-CE1 4.39Å; A108-F132 HydrophobicContact CB-CZ 3.76Å
109T95.6Very high94.4Very high3 Ų357.6 Ų57.62%0.01834%0.341CS..G310 helixtrans-65.9-29.2177.2-54.90000111.9W103 I106 P107 S111 L112 F115 F132W103-T109 HydrophobicContact CB-CG2 4.09Å; W103-T109 WeakPolarHBondContact O-CB 3.41Å; W103-T109 PolarHBondContact O-OG1 3.4Å; I106-T109 VanDerWaalsContact O-CB 3.26Å; I106-T109 WeakPolarHBondContact O-CB 3.49Å; I106-T109 PolarHBondContact O-N 2.81Å; I106-T109 PolarHBondContact O-OG1 3.48Å; I106-T109 VanDerWaalsContact O-OG1 3.07Å; P107-T109 PolarHBondContact O-N 2.78Å; T109-S111 PolarHBondContact O-N 2.81Å; T109-S111 VanDerWaalsContact O-N 3.11Å; T109-L112 HydrophobicContact CG2-CD1 4.48Å; T109-L112 WeakPolarHBondContact O-CB 3.48Å; T109-L112 PolarHBondContact O-N 2.79Å; T109-F115 HydrophobicContact CG2-CD1 3.57Å; T109-F115 HydrophobicContact CG2-CE1 3.25Å; T109-F115 HydrophobicContact CG2-CG 4.44Å; T109-F115 HydrophobicContact CG2-CZ 3.89Å; T109-F132 WeakPolarHBondContact OG1-CE1 3.48Å
110S93Very high94.3Very high108 Ų10858.3 Ų58.376%0.75534%0.344SS*.G310 helixtrans-58.6-26-178.261.40000114.3P107 A108P107-S110 PolarHBondContact O-N 2.88Å; P107-S110 PolarHBondContact O-OG 3.41Å; A108-S110 PolarHBondContact O-N 2.92Å
111S91.6Very high94.3Very high100 Ų10060.9 Ų60.970%0.69936%0.357SS*.G310 helixtrans-88.5-8.8177.7600000114.1A108 T109A108-S111 PolarHBondContact O-OG 2.8Å; T109-S111 PolarHBondContact O-N 2.81Å; T109-S111 VanDerWaalsContact O-N 3.11Å
112L92.9Very high94.2Very high20 Ų2058.9 Ų58.911%0.10534%0.344CS..THydrogen-bonded Turntrans-81.8-20.7-177.9-56.9-178.5000112.7F87 T109 N114 F115 F120 I124 L125 F132F87-L112 HydrophobicContact CE1-CD1 4.2Å; F87-L112 HydrophobicContact CE2-CD1 3.95Å; F87-L112 HydrophobicContact CZ-CD1 3.43Å; F87-L112 VanDerWaalsContact CZ-CD1 3.43Å; T109-L112 HydrophobicContact CG2-CD1 4.48Å; T109-L112 WeakPolarHBondContact O-CB 3.48Å; T109-L112 PolarHBondContact O-N 2.79Å; L112-N114 PolarHBondContact O-N 2.57Å; L112-F115 HydrophobicContact CB-CB 4.35Å; L112-F120 HydrophobicContact CB-CE2 4.13Å; L112-F120 HydrophobicContact CB-CZ 4.21Å; L112-F120 HydrophobicContact CD1-CZ 4.49Å; L112-F120 HydrophobicContact CD2-CZ 4.38Å; L112-I124 HydrophobicContact CD2-CD1 3.91Å; L112-I124 HydrophobicContact CD2-CG1 4.35Å; L112-L125 HydrophobicContact CD1-CD2 4.19Å; L112-L125 HydrophobicContact CD2-CD2 3.75Å; L112-F132 HydrophobicContact CD1-CE1 4.47Å; L112-F132 HydrophobicContact CD1-CE2 3.8Å; L112-F132 HydrophobicContact CD1-CZ 3.76Å
113G87.5Confident94Very high47 Ų4762.1 Ų62.149%0.48537%0.367SS..  trans65.9-129.4-175.100000111.9F115G113-F115 VanDerWaalsContact O-CD1 3.27Å; G113-F115 WeakPolarHBondContact O-CD1 3.15Å; G113-F115 PolarHBondContact O-N 2.93Å
114N90Very high93.9Very high100 Ų10065.2 Ų65.254%0.53538%0.383SS..SBendtrans-77.658.9-171.9-66.5-21.5000113.2L112 H116 I117L112-N114 PolarHBondContact O-N 2.57Å; N114-H116 PolarHBondContact O-N 2.89Å; N114-H116 VanDerWaalsContact O-N 3.1Å; N114-I117 HydrophobicContact CB-CD1 3.84Å; N114-I117 HydrophobicContact CB-CG1 4.31Å; N114-I117 HydrophobicContact CB-CG2 3.95Å; N114-I117 VanDerWaalsContact O-CG1 3.25Å; N114-I117 WeakPolarHBondContact O-CG1 3.12Å; N114-I117 PolarHBondContact O-N 2.95Å
115F95Very high93.8Very high6 Ų660.4 Ų60.43%0.02636%0.361CS..THydrogen-bonded Turntrans-63.4-15.3-17964-97000114.7F87 M88 V100 W103 E104 T109 L112 G113 F120F87-F115 HydrophobicContact CB-CD2 3.8Å; F87-F115 HydrophobicContact CD1-CD2 4.05Å; F87-F115 HydrophobicContact CD2-CB 3.78Å; F87-F115 HydrophobicContact CD2-CD2 4.33Å; F87-F115 HydrophobicContact CD2-CG 4.42Å; F87-F115 HydrophobicContact CE2-CB 4.04Å; F87-F115 HydrophobicContact CG-CB 4.14Å; F87-F115 AromaticContact CG-CD2 3.81Å; F87-F115 HydrophobicContact CG-CD2 3.81Å; F87-F115 HydrophobicContact CG-CG 4.3Å; M88-F115 HydrophobicContact CE-CD2 4.05Å; M88-F115 HydrophobicContact CE-CE2 3.92Å; V100-F115 HydrophobicContact CB-CZ 4.44Å; V100-F115 HydrophobicContact CG1-CZ 4.35Å; V100-F115 HydrophobicContact CG2-CE2 4.14Å; V100-F115 HydrophobicContact CG2-CZ 4.23Å; W103-F115 HydrophobicContact CB-CE2 3.96Å; W103-F115 HydrophobicContact CB-CZ 3.93Å; W103-F115 HydrophobicContact CG-CE2 4.31Å; E104-F115 HydrophobicContact CG-CE1 4.35Å; E104-F115 HydrophobicContact CG-CZ 4.3Å; T109-F115 HydrophobicContact CG2-CD1 3.57Å; T109-F115 HydrophobicContact CG2-CE1 3.25Å; T109-F115 HydrophobicContact CG2-CG 4.44Å; T109-F115 HydrophobicContact CG2-CZ 3.89Å; L112-F115 HydrophobicContact CB-CB 4.35Å; G113-F115 VanDerWaalsContact O-CD1 3.27Å; G113-F115 WeakPolarHBondContact O-CD1 3.15Å; G113-F115 PolarHBondContact O-N 2.93Å; F115-F120 HydrophobicContact CB-CD2 4.16Å; F115-F120 HydrophobicContact CB-CE2 4.01Å; F115-F120 HydrophobicContact CB-CZ 4.26Å
116H92.7Very high93.5Very high68 Ų6861.7 Ų61.732%0.31537%0.369SS..THydrogen-bonded Turntrans-83.8-7.217955.7-104000113.9M88 V100 N114M88-H116 HydrophobicContact CE-CB 3.87Å; M88-H116 HydrophobicContact SD-CB 3.98Å; V100-H116 HydrophobicContact CG2-CB 4.05Å; N114-H116 PolarHBondContact O-N 2.89Å; N114-H116 VanDerWaalsContact O-N 3.1Å
117I92.7Very high93.1Very high64 Ų6467.5 Ų67.533%0.32841%0.405SS..SBendtrans-87145178.276.2-170.3000111N114 S119 F120N114-I117 HydrophobicContact CB-CD1 3.84Å; N114-I117 HydrophobicContact CB-CG1 4.31Å; N114-I117 HydrophobicContact CB-CG2 3.95Å; N114-I117 VanDerWaalsContact O-CG1 3.25Å; N114-I117 WeakPolarHBondContact O-CG1 3.12Å; N114-I117 PolarHBondContact O-N 2.95Å; I117-S119 WeakPolarHBondContact CD1-OG 3.33Å; I117-S119 PolarHBondContact O-N 2.9Å; I117-S119 VanDerWaalsContact O-N 3.15Å; I117-F120 HydrophobicContact CG1-CB 4.34Å; I117-F120 VanDerWaalsContact O-CB 3.27Å; I117-F120 WeakPolarHBondContact O-CB 3.03Å; I117-F120 PolarHBondContact O-N 3.49Å
118D89.1Confident93Very high169 Ų16964.3 Ų64.390%0.90438%0.384SS*.THydrogen-bonded Turntrans-61-27.2-179.5-66.7-23.5000113.5F120D118-F120 VanDerWaalsContact C-N 3.26Å; D118-F120 PolarHBondContact O-N 2.8Å
119S92.6Very high93Very high102 Ų10266.2 Ų66.271%0.71339%0.391SS*.THydrogen-bonded Turntrans-85.110.9178.568.40000114.1I117 D121I117-S119 WeakPolarHBondContact CD1-OG 3.33Å; I117-S119 PolarHBondContact O-N 2.9Å; I117-S119 VanDerWaalsContact O-N 3.15Å; S119-D121 PolarHBondContact O-N 3.29Å
120F96.1Very high93Very high18 Ų1866.8 Ų66.88%0.07940%0.395CS..  trans-59.4131.8178.9178-103.4000111.6F87 L112 F115 I117 D118 Y122 I124 L125F87-F120 HydrophobicContact CD2-CD1 4.37Å; F87-F120 HydrophobicContact CD2-CE1 4.08Å; F87-F120 HydrophobicContact CE2-CD1 4.42Å; F87-F120 AromaticContact CE2-CE1 3.69Å; F87-F120 HydrophobicContact CE2-CE1 3.69Å; F87-F120 HydrophobicContact CE2-CZ 4.04Å; L112-F120 HydrophobicContact CB-CE2 4.13Å; L112-F120 HydrophobicContact CB-CZ 4.21Å; L112-F120 HydrophobicContact CD1-CZ 4.49Å; L112-F120 HydrophobicContact CD2-CZ 4.38Å; F115-F120 HydrophobicContact CB-CD2 4.16Å; F115-F120 HydrophobicContact CB-CE2 4.01Å; F115-F120 HydrophobicContact CB-CZ 4.26Å; I117-F120 HydrophobicContact CG1-CB 4.34Å; I117-F120 VanDerWaalsContact O-CB 3.27Å; I117-F120 WeakPolarHBondContact O-CB 3.03Å; I117-F120 PolarHBondContact O-N 3.49Å; D118-F120 VanDerWaalsContact C-N 3.26Å; D118-F120 PolarHBondContact O-N 2.8Å; F120-Y122 HydrophobicContact CB-CE2 4.38Å; F120-Y122 AromaticContact CD1-CD1 3.91Å; F120-Y122 HydrophobicContact CD1-CD1 3.91Å; F120-Y122 AromaticContact CD1-CD2 3.88Å; F120-Y122 HydrophobicContact CD1-CD2 3.88Å; F120-Y122 AromaticContact CD1-CE1 3.82Å; F120-Y122 HydrophobicContact CD1-CE1 3.82Å; F120-Y122 AromaticContact CD1-CE2 3.78Å; F120-Y122 HydrophobicContact CD1-CE2 3.78Å; F120-Y122 AromaticContact CD1-CG 3.94Å; F120-Y122 HydrophobicContact CD1-CG 3.94Å; F120-Y122 AromaticContact CD1-CZ 3.72Å; F120-Y122 AromaticContact CE1-CD1 3.92Å; F120-Y122 HydrophobicContact CE1-CD1 3.92Å; F120-Y122 HydrophobicContact CE1-CE1 4.04Å; F120-Y122 HydrophobicContact CE1-CG 4.21Å; F120-Y122 WeakPolarHBondContact O-CD2 3.32Å; F120-Y122 PolarHBondContact O-N 2.99Å; F120-Y122 VanDerWaalsContact O-N 3.17Å; F120-I124 HydrophobicContact CE2-CD1 3.79Å; F120-I124 HydrophobicContact CZ-CD1 3.6Å; F120-I124 HydrophobicContact CZ-CG1 4.1Å; F120-L125 HydrophobicContact CE1-CD1 4.49Å; F120-L125 HydrophobicContact CE1-CG 4.47Å
121D95.2Very high93.2Very high80 Ų8063.1 Ų63.143%0.42837%0.367SS..  trans-83.393.1179.5-177.511.4000111.1S119 S123 I124S119-D121 PolarHBondContact O-N 3.29Å; D121-S123 PolarHBondContact O-N 3.36Å; D121-S123 VanDerWaalsContact O-N 3.11Å; D121-S123 WeakPolarHBondContact OD1-CB 3.25Å; D121-S123 PolarHBondContact OD1-N 3.47Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 PolarHBondContact OD2-OG 2.96Å; D121-I124 HydrophobicContact CB-CG2 4.45Å; D121-I124 WeakPolarHBondContact O-CG1 3.31Å; D121-I124 PolarHBondContact O-N 3.26Å
122Y95.9Very high93.5Very high27 Ų2758.5 Ų58.511%0.10633%0.334CS..THydrogen-bonded Turntrans-62.5-14.1176.3-72.4-85000114.4I81 S82 R83 P86 F87 F120 I124 L125I81-Y122 HydrophobicContact CG2-CD1 4.35Å; I81-Y122 HydrophobicContact CG2-CE1 3.85Å; S82-Y122 WeakPolarHBondContact O-CE1 3.44Å; R83-Y122 HydrophobicContact CB-CD2 4.35Å; P86-Y122 WeakPolarHBondContact CA-OH 3.38Å; P86-Y122 VanDerWaalsContact CB-OH 3.25Å; P86-Y122 WeakPolarHBondContact CB-OH 3.28Å; F87-Y122 AromaticContact CD2-CE1 3.83Å; F87-Y122 HydrophobicContact CD2-CE1 3.83Å; F87-Y122 HydrophobicContact CE2-CE1 4.2Å; F87-Y122 PolarHBondContact N-OH 2.9Å; F87-Y122 VanDerWaalsContact N-OH 3.08Å; F120-Y122 HydrophobicContact CB-CE2 4.38Å; F120-Y122 AromaticContact CD1-CD1 3.91Å; F120-Y122 HydrophobicContact CD1-CD1 3.91Å; F120-Y122 AromaticContact CD1-CD2 3.88Å; F120-Y122 HydrophobicContact CD1-CD2 3.88Å; F120-Y122 AromaticContact CD1-CE1 3.82Å; F120-Y122 HydrophobicContact CD1-CE1 3.82Å; F120-Y122 AromaticContact CD1-CE2 3.78Å; F120-Y122 HydrophobicContact CD1-CE2 3.78Å; F120-Y122 AromaticContact CD1-CG 3.94Å; F120-Y122 HydrophobicContact CD1-CG 3.94Å; F120-Y122 AromaticContact CD1-CZ 3.72Å; F120-Y122 AromaticContact CE1-CD1 3.92Å; F120-Y122 HydrophobicContact CE1-CD1 3.92Å; F120-Y122 HydrophobicContact CE1-CE1 4.04Å; F120-Y122 HydrophobicContact CE1-CG 4.21Å; F120-Y122 WeakPolarHBondContact O-CD2 3.32Å; F120-Y122 PolarHBondContact O-N 2.99Å; F120-Y122 VanDerWaalsContact O-N 3.17Å; Y122-I124 PolarHBondContact O-N 2.96Å; Y122-L125 HydrophobicContact CD1-CD1 3.86Å; Y122-L125 HydrophobicContact CE1-CD1 4.5Å; Y122-L125 WeakPolarHBondContact O-CB 3.1Å; Y122-L125 PolarHBondContact O-N 3.33Å; Y122-L125 VanDerWaalsContact O-N 3.16Å
123S94.2Very high93.8Very high69 Ų6957.6 Ų57.648%0.48333%0.329SS..THydrogen-bonded Turntrans-64-26.8179.276.60000112.5D121 L125 E126D121-S123 PolarHBondContact O-N 3.36Å; D121-S123 VanDerWaalsContact O-N 3.11Å; D121-S123 WeakPolarHBondContact OD1-CB 3.25Å; D121-S123 PolarHBondContact OD1-N 3.47Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 PolarHBondContact OD2-OG 2.96Å; S123-L125 PolarHBondContact O-N 2.78Å; S123-E126 WeakPolarHBondContact O-CB 3.29Å; S123-E126 PolarHBondContact O-N 3.29Å; S123-E126 VanDerWaalsContact O-N 3.13Å
124I94.2Very high94.3Very high64 Ų6455.5 Ų55.533%0.32831%0.307SS..Hα-helixtrans-62.9-25.7177.377.2-176.5000112.5L112 F120 D121 Y122 E126 T127 S128L112-I124 HydrophobicContact CD2-CD1 3.91Å; L112-I124 HydrophobicContact CD2-CG1 4.35Å; F120-I124 HydrophobicContact CE2-CD1 3.79Å; F120-I124 HydrophobicContact CZ-CD1 3.6Å; F120-I124 HydrophobicContact CZ-CG1 4.1Å; D121-I124 HydrophobicContact CB-CG2 4.45Å; D121-I124 WeakPolarHBondContact O-CG1 3.31Å; D121-I124 PolarHBondContact O-N 3.26Å; Y122-I124 PolarHBondContact O-N 2.96Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 2.81Å; I124-T127 PolarHBondContact O-OG1 3.33Å; I124-S128 PolarHBondContact O-N 3.45Å
125L94.7Very high94.7Very high20 Ų2051 Ų5111%0.10528%0.282CS..Hα-helixtrans-72-25.6179.4-59.7-174.5000112.4I81 F87 L112 F120 Y122 S123 T127 S128 F132I81-L125 HydrophobicContact CB-CD1 4.43Å; I81-L125 HydrophobicContact CG2-CD1 3.94Å; F87-L125 HydrophobicContact CE2-CD1 3.95Å; F87-L125 HydrophobicContact CE2-CD2 4.47Å; F87-L125 HydrophobicContact CZ-CD1 4.21Å; F87-L125 HydrophobicContact CZ-CD2 4.39Å; L112-L125 HydrophobicContact CD1-CD2 4.19Å; L112-L125 HydrophobicContact CD2-CD2 3.75Å; F120-L125 HydrophobicContact CE1-CD1 4.49Å; F120-L125 HydrophobicContact CE1-CG 4.47Å; Y122-L125 HydrophobicContact CD1-CD1 3.86Å; Y122-L125 HydrophobicContact CE1-CD1 4.5Å; Y122-L125 WeakPolarHBondContact O-CB 3.1Å; Y122-L125 PolarHBondContact O-N 3.33Å; Y122-L125 VanDerWaalsContact O-N 3.16Å; S123-L125 PolarHBondContact O-N 2.78Å; L125-T127 PolarHBondContact O-N 3Å; L125-S128 WeakPolarHBondContact O-CB 3.18Å; L125-S128 PolarHBondContact O-N 3.23Å; L125-F132 HydrophobicContact CD2-CD2 3.96Å; L125-F132 HydrophobicContact CD2-CE2 3.96Å
126E91Very high94.9Very high112 Ų11251.9 Ų51.952%0.52329%0.286SS..Hα-helixtrans-66.1-31.2179.7-59.8-65.1175.500111.4K54 S123 I124K54-E126 IonicContact NZ-OE1 2.97Å; K54-E126 PolarHBondContact NZ-OE1 2.97Å; K54-E126 IonicContact NZ-OE2 3.39Å; K54-E126 PolarHBondContact NZ-OE2 2.95Å; S123-E126 WeakPolarHBondContact O-CB 3.29Å; S123-E126 PolarHBondContact O-N 3.29Å; S123-E126 VanDerWaalsContact O-N 3.13Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 2.81Å
127T91.1Very high95.1Very high126 Ų12649.2 Ų49.277%0.77327%0.274SS*.Hα-helixtrans-95.6-8.5175.6530000114.3I124 L125I124-T127 PolarHBondContact O-OG1 3.33Å; L125-T127 PolarHBondContact O-N 3Å
128S93.5Very high95.2Very high25 Ų2550.2 Ų50.218%0.17528%0.276CS..  trans-63.1144.3-179.9174.20000111.5I124 L125 T130 K164I124-S128 PolarHBondContact O-N 3.45Å; L125-S128 WeakPolarHBondContact O-CB 3.18Å; L125-S128 PolarHBondContact O-N 3.23Å; S128-T130 PolarHBondContact O-N 2.9Å; S128-T130 PolarHBondContact OG-N 3.49Å; S128-T130 PolarHBondContact OG-O 3.21Å; S128-K164 WeakPolarHBondContact O-CE 3.33Å; S128-K164 PolarHBondContact O-NZ 2.67Å
129D94.8Very high95.5Very high63 Ų6345.2 Ų45.234%0.33725%0.246SC..SBendtrans-70-17169.3-171.539.3000112.1Q163 K164 S165D129-Q163 WeakPolarHBondContact OD2-CG 3.21Å; D129-Q163 PolarHBondContact OD2-NE2 3.11Å; D129-K164 WeakPolarHBondContact O-CB 3.36Å; D129-K164 WeakPolarHBondContact O-CG 3.43Å; D129-K164 PolarHBondContact O-N 3.28Å; D129-S165 VanDerWaalsContact OD1-CB 3.27Å; D129-S165 WeakPolarHBondContact OD1-CB 3.49Å; D129-S165 PolarHBondContact OD1-N 3.02Å; D129-S165 PolarHBondContact OD1-OG 2.9Å; D129-S165 WeakPolarHBondContact OD2-CB 3.38Å; D129-S165 PolarHBondContact OD2-OG 3.39Å
130T96Very high95.5Very high15 Ų1540.7 Ų40.79%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-107125.7179.8-59.40000111.7A108 S128 F132 L162A108-T130 HydrophobicContact CB-CG2 3.93Å; A108-T130 WeakPolarHBondContact CB-OG1 3.43Å; S128-T130 PolarHBondContact O-N 2.9Å; S128-T130 PolarHBondContact OG-N 3.49Å; S128-T130 PolarHBondContact OG-O 3.21Å; T130-F132 HydrophobicContact CG2-CD1 4.24Å; T130-F132 HydrophobicContact CG2-CD2 4.2Å; T130-F132 HydrophobicContact CG2-CE1 3.97Å; T130-F132 HydrophobicContact CG2-CE2 3.92Å; T130-F132 HydrophobicContact CG2-CG 4.36Å; T130-F132 HydrophobicContact CG2-CZ 3.8Å; T130-L162 CarbonylContact C-O 3.54Å; T130-L162 VanDerWaalsContact CA-O 3.31Å; T130-L162 WeakPolarHBondContact CA-O 3.39Å
131I96.9Very high95.3Very high31 Ų3142.5 Ų42.516%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-90.4114.6166.3-54.2175000107.6L23 I80 M133 L162 K164L23-I131 HydrophobicContact CB-CD1 4.18Å; L23-I131 HydrophobicContact CD2-CD1 3.93Å; L23-I131 HydrophobicContact CD2-CG2 4.23Å; I80-I131 HydrophobicContact CG2-CG2 3.83Å; I131-M133 HydrophobicContact CG2-CG 3.97Å; I131-M133 HydrophobicContact CG2-SD 4.32Å; I131-L162 HydrophobicContact CB-CB 4.37Å; I131-L162 HydrophobicContact CD1-CD2 4.34Å; I131-L162 PolarHBondContact N-O 3.29Å; I131-L162 PolarHBondContact O-N 3.17Å; I131-K164 HydrophobicContact CD1-CD 3.95Å; I131-K164 HydrophobicContact CD1-CG 3.89Å; I131-K164 HydrophobicContact CG1-CD 3.93Å; I131-K164 HydrophobicContact CG1-CG 3.89Å
132F98.2Very high95.1Very high3 Ų344.8 Ų44.81%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-85.7138173.4-60.8-90.2000109.7I81 F87 W103 I106 A108 T109 L112 L125 T130 I160I81-F132 HydrophobicContact CB-CB 3.81Å; I81-F132 HydrophobicContact CG1-CB 3.63Å; I81-F132 WeakPolarHBondContact CG1-O 3.34Å; I81-F132 PolarHBondContact N-O 3.21Å; F87-F132 HydrophobicContact CE1-CB 4.15Å; F87-F132 HydrophobicContact CE1-CD1 4.04Å; F87-F132 HydrophobicContact CE1-CD2 4.44Å; F87-F132 AromaticContact CE1-CG 3.96Å; F87-F132 HydrophobicContact CE1-CG 3.96Å; F87-F132 HydrophobicContact CZ-CB 4.3Å; F87-F132 HydrophobicContact CZ-CD1 4.38Å; F87-F132 HydrophobicContact CZ-CD2 4Å; F87-F132 HydrophobicContact CZ-CE2 4.42Å; F87-F132 AromaticContact CZ-CG 3.98Å; F87-F132 HydrophobicContact CZ-CG 3.98Å; W103-F132 AromaticContact CE3-CD1 3.95Å; W103-F132 HydrophobicContact CE3-CD1 3.95Å; W103-F132 HydrophobicContact CH2-CB 4.26Å; W103-F132 HydrophobicContact CZ3-CB 4.01Å; W103-F132 AromaticContact CZ3-CD1 3.85Å; W103-F132 HydrophobicContact CZ3-CD1 3.85Å; W103-F132 HydrophobicContact CZ3-CG 4.42Å; I106-F132 HydrophobicContact CB-CE1 4.36Å; I106-F132 HydrophobicContact CG2-CD1 4.25Å; I106-F132 HydrophobicContact CG2-CE1 3.67Å; A108-F132 HydrophobicContact CB-CE1 4.39Å; A108-F132 HydrophobicContact CB-CZ 3.76Å; T109-F132 WeakPolarHBondContact OG1-CE1 3.48Å; L112-F132 HydrophobicContact CD1-CE1 4.47Å; L112-F132 HydrophobicContact CD1-CE2 3.8Å; L112-F132 HydrophobicContact CD1-CZ 3.76Å; L125-F132 HydrophobicContact CD2-CD2 3.96Å; L125-F132 HydrophobicContact CD2-CE2 3.96Å; T130-F132 HydrophobicContact CG2-CD1 4.24Å; T130-F132 HydrophobicContact CG2-CD2 4.2Å; T130-F132 HydrophobicContact CG2-CE1 3.97Å; T130-F132 HydrophobicContact CG2-CE2 3.92Å; T130-F132 HydrophobicContact CG2-CG 4.36Å; T130-F132 HydrophobicContact CG2-CZ 3.8Å; F132-I160 CarbonylContact C-O 3.49Å; F132-I160 WeakPolarHBondContact CA-O 3.46Å
133M98.6Very high94.8Very high1 Ų147.4 Ų47.41%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-144.2157.1180-59.7174-75.100112.1L23 V56 E79 I80 W103 I131 W135 I160 L162L23-M133 HydrophobicContact CD1-CE 4.43Å; L23-M133 HydrophobicContact CD1-SD 4.09Å; L23-M133 HydrophobicContact CD2-SD 3.94Å; V56-M133 HydrophobicContact CG1-SD 4.01Å; E79-M133 CarbonylContact O-C 3.54Å; E79-M133 WeakPolarHBondContact O-CA 3.3Å; E79-M133 VanDerWaalsContact O-CB 3.31Å; E79-M133 WeakPolarHBondContact O-CB 3.2Å; I80-M133 HydrophobicContact CG1-CG 4.09Å; I80-M133 HydrophobicContact CG1-SD 4.36Å; W103-M133 VanDerWaalsContact CH2-O 3.29Å; W103-M133 WeakPolarHBondContact CH2-O 3.43Å; I131-M133 HydrophobicContact CG2-CG 3.97Å; I131-M133 HydrophobicContact CG2-SD 4.32Å; M133-W135 HydrophobicContact CE-CZ2 3.8Å; M133-W135 HydrophobicContact SD-CZ2 4.49Å; M133-I160 HydrophobicContact CB-CB 4.11Å; M133-I160 HydrophobicContact CE-CB 4.49Å; M133-I160 HydrophobicContact CE-CG2 3.7Å; M133-I160 PolarHBondContact N-O 2.7Å; M133-I160 WeakPolarHBondContact O-CA 3.29Å; M133-I160 WeakPolarHBondContact O-CB 3.41Å; M133-I160 PolarHBondContact O-N 2.86Å; M133-L162 HydrophobicContact CE-CB 3.82Å; M133-L162 HydrophobicContact CE-CD2 4.33Å
134R98.7Very high94.5Very high3 Ų347.2 Ų47.21%0.01126%0.258CS..EExtended strand (participates in β ladder)trans-111.3130.6161-75.1178.8-69.4-97-9109.7G78 E79 I81 P86 F87 T89 W92 W103 F157 Y158G78-R134 CarbonylContact C-O 3.49Å; G78-R134 WeakPolarHBondContact CA-O 3.34Å; E79-R134 HydrophobicContact CB-CB 4.48Å; E79-R134 PolarHBondContact N-O 3.07Å; E79-R134 PolarHBondContact O-N 2.86Å; E79-R134 IonicContact OE2-CZ 3.29Å; E79-R134 IonicContact OE2-NE 3.02Å; E79-R134 PolarHBondContact OE2-NE 2.92Å; E79-R134 IonicContact OE2-NH2 2.7Å; E79-R134 PolarHBondContact OE2-NH2 2.8Å; I81-R134 HydrophobicContact CD1-CG 4.45Å; P86-R134 PolarHBondContact O-NH1 2.68Å; P86-R134 PolarHBondContact O-NH2 3.08Å; F87-R134 PolarHBondContact O-NH1 3.11Å; F87-R134 VanDerWaalsContact O-NH1 3.08Å; T89-R134 WeakPolarHBondContact OG1-CD 2.93Å; T89-R134 PolarHBondContact OG1-NH1 2.84Å; W92-R134 HydrophobicContact CZ3-CB 4.33Å; W103-R134 HydrophobicContact CH2-CG 4.26Å; W103-R134 HydrophobicContact CZ2-CG 3.97Å; R134-F157 HydrophobicContact CB-CD2 4.34Å; R134-F157 HydrophobicContact CG-CD2 4.17Å; R134-F157 HydrophobicContact CG-CE2 4.06Å; R134-Y158 CarbonylContact C-O 3.58Å; R134-Y158 WeakPolarHBondContact CA-O 3.32Å
135W98.7Very high94.2Very high5 Ų547 Ų472%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-110.9123.9174.7-64-10.4000111V44 F76 M133 F157 Y158 I160 V169 L184 L186V44-W135 HydrophobicContact CG1-CH2 4.01Å; V44-W135 HydrophobicContact CG1-CZ3 4.11Å; V44-W135 HydrophobicContact CG2-CZ3 4.03Å; F76-W135 HydrophobicContact CD2-CB 4.07Å; F76-W135 HydrophobicContact CD2-CD2 4.36Å; F76-W135 AromaticContact CD2-CG 3.97Å; F76-W135 HydrophobicContact CD2-CG 3.97Å; F76-W135 AromaticContact CE2-CD2 3.97Å; F76-W135 HydrophobicContact CE2-CD2 3.97Å; F76-W135 AromaticContact CE2-CG 3.94Å; F76-W135 HydrophobicContact CE2-CG 3.94Å; F76-W135 HydrophobicContact CZ-CD2 4.33Å; M133-W135 HydrophobicContact CE-CZ2 3.8Å; M133-W135 HydrophobicContact SD-CZ2 4.49Å; W135-F157 CarbonylContact O-C 3.6Å; W135-F157 VanDerWaalsContact O-CA 3.3Å; W135-F157 WeakPolarHBondContact O-CA 3.47Å; W135-F157 WeakPolarHBondContact O-CB 3.37Å; W135-Y158 PolarHBondContact N-O 2.86Å; W135-Y158 PolarHBondContact O-N 2.79Å; W135-I160 HydrophobicContact CB-CG1 4.39Å; W135-I160 HydrophobicContact CD2-CD1 4.05Å; W135-I160 HydrophobicContact CD2-CG1 3.65Å; W135-I160 HydrophobicContact CE3-CD1 3.77Å; W135-I160 HydrophobicContact CE3-CG1 3.94Å; W135-I160 HydrophobicContact CG-CG1 3.84Å; W135-I160 HydrophobicContact CH2-CG2 4.41Å; W135-I160 HydrophobicContact CZ2-CG2 4.09Å; W135-I160 HydrophobicContact CZ3-CD1 4.08Å; W135-I160 HydrophobicContact CZ3-CG1 4.47Å; W135-V169 HydrophobicContact CH2-CG1 4.18Å; W135-L184 HydrophobicContact CE3-CD2 4.39Å; W135-L184 HydrophobicContact CZ3-CD2 4.1Å; W135-L186 HydrophobicContact CZ3-CD1 4.31Å
136K98.1Very high93.8Very high25 Ų2547.9 Ų47.911%0.10928%0.276CS..EExtended strand (participates in β ladder)trans-116.3110.8178.1-176.274.5-168.485.30110F76 E77 W92 K138 F154 A155 G156 F157F76-K136 WeakPolarHBondContact CA-O 3.35Å; E77-K136 PolarHBondContact N-O 2.7Å; E77-K136 PolarHBondContact O-N 2.84Å; W92-K136 HydrophobicContact CD2-CD 3.99Å; W92-K136 HydrophobicContact CE3-CD 4.36Å; W92-K136 HydrophobicContact CG-CD 4.39Å; W92-K136 HydrophobicContact CH2-CB 3.83Å; W92-K136 HydrophobicContact CH2-CD 4.48Å; W92-K136 HydrophobicContact CH2-CG 4.3Å; W92-K136 HydrophobicContact CZ2-CB 3.91Å; W92-K136 HydrophobicContact CZ2-CD 4.14Å; W92-K136 HydrophobicContact CZ2-CG 3.9Å; W92-K136 HydrophobicContact CZ3-CB 4.38Å; K136-K138 HydrophobicContact CG-CD 4.28Å; K136-F154 PolarHBondContact NZ-O 3.15Å; K136-F154 VanDerWaalsContact NZ-O 3.15Å; K136-A155 WeakPolarHBondContact CE-O 3.29Å; K136-A155 PolarHBondContact NZ-O 3.09Å; K136-G156 VanDerWaalsContact CD-O 3.28Å; K136-G156 WeakPolarHBondContact CD-O 3.38Å; K136-G156 VanDerWaalsContact CE-O 3.25Å; K136-G156 WeakPolarHBondContact CE-O 3.31Å; K136-G156 PolarHBondContact NZ-O 2.83Å; K136-F157 HydrophobicContact CB-CB 4.43Å; K136-F157 HydrophobicContact CD-CB 3.77Å
137E96.7Very high93.3Very high12 Ų1247.9 Ų47.96%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-64.7139.3168.7-62.7176.5115.700110.4M60 T74 Y75 F76 F154M60-E137 HydrophobicContact CE-CG 4.31Å; M60-E137 WeakPolarHBondContact CE-OE1 3.29Å; T74-E137 WeakPolarHBondContact CB-OE1 3.36Å; T74-E137 WeakPolarHBondContact CG2-OE1 3.26Å; T74-E137 PolarHBondContact OG1-OE1 2.53Å; Y75-E137 WeakPolarHBondContact O-CA 3.4Å; F76-E137 HydrophobicContact CB-CG 4.37Å; E137-F154 HydrophobicContact CB-CB 3.88Å; E137-F154 HydrophobicContact CB-CD2 4.38Å; E137-F154 HydrophobicContact CG-CB 4.43Å; E137-F154 WeakPolarHBondContact OE2-CA 3.45Å; E137-F154 WeakPolarHBondContact OE2-CB 3.37Å
138K95.5Very high92.8Very high85 Ų8549.9 Ų49.937%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-111.7-45.9-174.5-53.6-62.4-66.2-1340112.1Y75 E77 K136Y75-K138 HydrophobicContact CD1-CB 4.06Å; Y75-K138 HydrophobicContact CD1-CG 4.02Å; Y75-K138 HydrophobicContact CE1-CG 4.22Å; Y75-K138 PolarHBondContact O-N 2.83Å; E77-K138 HydrophobicContact CB-CD 4.42Å; E77-K138 HydrophobicContact CB-CG 4.45Å; E77-K138 HydrophobicContact CG-CD 4.2Å; E77-K138 HydrophobicContact CG-CG 3.94Å; E77-K138 IonicContact OE1-NZ 3.55Å; E77-K138 IonicContact OE2-NZ 2.78Å; E77-K138 PolarHBondContact OE2-NZ 2.92Å; K136-K138 HydrophobicContact CG-CD 4.28Å
139F94.4Very high92.2Very high63 Ų6349.3 Ų49.328%0.27627%0.269SS..EExtended strand (participates in β ladder)trans-162.1161.7-17658.3-99.7000112T74 Y75 V141 P144T74-F139 CarbonylContact C-O 3.09Å; T74-F139 VanDerWaalsContact CA-O 3.27Å; T74-F139 WeakPolarHBondContact CA-O 3.44Å; Y75-F139 HydrophobicContact CD1-CD1 4.16Å; Y75-F139 AromaticContact CD1-CE1 3.4Å; Y75-F139 HydrophobicContact CD1-CE1 3.4Å; Y75-F139 HydrophobicContact CD1-CE2 4.39Å; Y75-F139 AromaticContact CD1-CZ 3.53Å; Y75-F139 HydrophobicContact CD1-CZ 3.53Å; Y75-F139 HydrophobicContact CE1-CE1 4.12Å; Y75-F139 HydrophobicContact CE1-CZ 4.37Å; Y75-F139 HydrophobicContact CG-CE1 4.02Å; Y75-F139 HydrophobicContact CG-CE2 4.19Å; Y75-F139 AromaticContact CG-CZ 3.68Å; Y75-F139 HydrophobicContact CG-CZ 3.68Å; Y75-F139 PolarHBondContact N-O 2.97Å; F139-V141 HydrophobicContact CD2-CG2 4.25Å; F139-V141 HydrophobicContact CE2-CG2 3.96Å; F139-P144 HydrophobicContact CB-CB 4.06Å; F139-P144 HydrophobicContact CD2-CB 3.91Å; F139-P144 HydrophobicContact CD2-CG 3.93Å; F139-P144 HydrophobicContact CE2-CG 4.26Å; F139-P144 HydrophobicContact CG-CB 4.02Å
140I93.2Very high91.4Very high7 Ų754.3 Ų54.34%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-86.3145.9177.3-64.2155.6000109.7L72 T73 T74 D143 L146 I149 F154L72-I140 HydrophobicContact CD1-CB 4.5Å; L72-I140 HydrophobicContact CD1-CD1 4.12Å; L72-I140 HydrophobicContact CD1-CG1 3.95Å; L72-I140 HydrophobicContact CD1-CG2 3.71Å; T73-I140 WeakPolarHBondContact O-CA 3.24Å; T74-I140 HydrophobicContact CG2-CG1 4.05Å; I140-D143 CarbonylContact O-C 3.56Å; I140-D143 PolarHBondContact O-N 3.38Å; I140-L146 HydrophobicContact CD1-CB 4.4Å; I140-L146 HydrophobicContact CD1-CD2 4.26Å; I140-L146 HydrophobicContact CD1-CG 4.21Å; I140-I149 HydrophobicContact CD1-CD1 3.34Å; I140-I149 HydrophobicContact CD1-CG1 3.87Å; I140-I149 HydrophobicContact CG1-CD1 4.39Å; I140-F154 HydrophobicContact CD1-CD1 4.1Å; I140-F154 HydrophobicContact CD1-CE1 3.32Å; I140-F154 HydrophobicContact CD1-CZ 3.84Å; I140-F154 HydrophobicContact CG1-CD1 4.26Å; I140-F154 HydrophobicContact CG1-CE1 3.77Å; I140-F154 HydrophobicContact CG1-CZ 4.08Å
141V92.4Very high90.6Very high57 Ų5757 Ų5735%0.34532%0.322SS..EExtended strand (participates in β ladder)trans-111133.9172.9178.40000108.2F59 T73 F139F59-V141 HydrophobicContact CD1-CG2 4.3Å; F59-V141 HydrophobicContact CE1-CG2 3.93Å; T73-V141 PolarHBondContact O-N 3.35Å; F139-V141 HydrophobicContact CD2-CG2 4.25Å; F139-V141 HydrophobicContact CE2-CG2 3.96Å
142P90.4Very high89.9Confident127 Ų12756.3 Ų56.383%0.82532%0.321SS*.SBendcis-92.38.88.837.8-37000115.3P144P142-P144 WeakPolarHBondContact O-CD 3.37Å
143D89.2Confident89.1Confident82 Ų8259.5 Ų59.544%0.43934%0.344SS..  trans-113.288-175.8-171.8-4.2000113.1I140 G145 L146I140-D143 CarbonylContact O-C 3.56Å; I140-D143 PolarHBondContact O-N 3.38Å; D143-G145 PolarHBondContact O-N 2.65Å; D143-G145 PolarHBondContact OD1-N 3.14Å; D143-L146 HydrophobicContact CB-CB 4.18Å; D143-L146 PolarHBondContact O-N 3.02Å; D143-L146 PolarHBondContact OD1-N 3.48Å
144P87.5Confident88.6Confident66 Ų6660.5 Ų60.543%0.42935%0.348SS..THydrogen-bonded Turntrans-65.7-16.6178.3-23.432.8000115.1F139 P142 K147F139-P144 HydrophobicContact CB-CB 4.06Å; F139-P144 HydrophobicContact CD2-CB 3.91Å; F139-P144 HydrophobicContact CD2-CG 3.93Å; F139-P144 HydrophobicContact CE2-CG 4.26Å; F139-P144 HydrophobicContact CG-CB 4.02Å; P142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-K147 PolarHBondContact O-NZ 2.94Å
145G88.5Confident88.2Confident59 Ų5962.7 Ų62.761%0.60837%0.367SS*.THydrogen-bonded Turntrans-78.2-26.6178.500000112.7D143 K147D143-G145 PolarHBondContact O-N 2.65Å; D143-G145 PolarHBondContact OD1-N 3.14Å; G145-K147 PolarHBondContact O-N 2.94Å; G145-K147 VanDerWaalsContact O-N 3.14Å
146L85.9Confident88Confident39 Ų3962.6 Ų62.620%0.20437%0.367CS..  trans-68.6108.3176.7-170.660.8000110.5Y69 I140 D143 H148 I149Y69-L146 HydrophobicContact CE1-CD2 4.13Å; I140-L146 HydrophobicContact CD1-CB 4.4Å; I140-L146 HydrophobicContact CD1-CD2 4.26Å; I140-L146 HydrophobicContact CD1-CG 4.21Å; D143-L146 HydrophobicContact CB-CB 4.18Å; D143-L146 PolarHBondContact O-N 3.02Å; D143-L146 PolarHBondContact OD1-N 3.48Å; L146-H148 WeakPolarHBondContact CD1-O 3.39Å; L146-I149 HydrophobicContact CD2-CD1 3.97Å; L146-I149 HydrophobicContact CD2-CG1 3.81Å; L146-I149 HydrophobicContact CG-CG1 4.1Å
147K81.8Confident88Confident111 Ų11161.4 Ų61.448%0.48336%0.362SS..  trans-101.9-19.9179.7-62.6-49.8-173.7-1600114.3P144 G145P144-K147 PolarHBondContact O-NZ 2.94Å; G145-K147 PolarHBondContact O-N 2.94Å; G145-K147 VanDerWaalsContact O-N 3.14Å
148H80.2Confident88.1Confident168 Ų16861.1 Ų61.178%0.77836%0.36SS*.  trans-129.5124.9-176.3-61.3-62.8000109.1L146L146-H148 WeakPolarHBondContact CD1-O 3.39Å
149I80.9Confident88.3Confident13 Ų1357.1 Ų57.17%0.06734%0.343CS..BIsolated β-bridgetrans-120.5133.4169.1-66.8-177.2000106.5T66 Y69 L72 I140 L146 G151 A152T66-I149 HydrophobicContact CG2-CG2 3.95Å; Y69-I149 HydrophobicContact CD2-CD1 4.03Å; Y69-I149 HydrophobicContact CD2-CG1 4.31Å; Y69-I149 HydrophobicContact CD2-CG2 3.5Å; Y69-I149 VanDerWaalsContact CD2-CG2 3.5Å; Y69-I149 HydrophobicContact CE2-CD1 4.22Å; Y69-I149 HydrophobicContact CE2-CG1 4.13Å; Y69-I149 HydrophobicContact CE2-CG2 3.82Å; Y69-I149 HydrophobicContact CG-CD1 4.2Å; Y69-I149 HydrophobicContact CG-CG2 4.43Å; L72-I149 HydrophobicContact CD1-CD1 3.33Å; L72-I149 HydrophobicContact CD2-CD1 4.22Å; L72-I149 HydrophobicContact CG-CD1 4.41Å; I140-I149 HydrophobicContact CD1-CD1 3.34Å; I140-I149 HydrophobicContact CD1-CG1 3.87Å; I140-I149 HydrophobicContact CG1-CD1 4.39Å; L146-I149 HydrophobicContact CD2-CD1 3.97Å; L146-I149 HydrophobicContact CD2-CG1 3.81Å; L146-I149 HydrophobicContact CG-CG1 4.1Å; I149-G151 PolarHBondContact O-N 2.95Å; I149-A152 HydrophobicContact CB-CB 4.19Å; I149-A152 HydrophobicContact CG2-CB 4.01Å; I149-A152 PolarHBondContact O-N 3.36Å
150E78.1Confident88.5Confident168 Ų16854.1 Ų54.179%0.78533%0.33SS*.THydrogen-bonded Turntrans-62.3124.7176.9-168.8175.3173.800110.5T66 A152T66-E150 VanDerWaalsContact CG2-O 3.25Å; T66-E150 WeakPolarHBondContact CG2-O 3.4Å; E150-A152 VanDerWaalsContact C-N 3.31Å; E150-A152 PolarHBondContact O-N 2.88Å
151G78.5Confident88.7Confident72 Ų7254 Ų5474%0.74233%0.33SS*.THydrogen-bonded Turntrans80.8-0.8179.200000115.9I149I149-G151 PolarHBondContact O-N 2.95Å
152A81.5Confident88.9Confident17 Ų1751.2 Ų51.214%0.1431%0.313CS..BIsolated β-bridgetrans-130.5141.7176.200000111.8L65 T66 L72 I149 E150L65-A152 HydrophobicContact CD2-CB 3.46Å; L65-A152 VanDerWaalsContact CD2-CB 3.46Å; L65-A152 HydrophobicContact CG-CB 4.07Å; T66-A152 HydrophobicContact CG2-CB 3.75Å; L72-A152 HydrophobicContact CD2-CB 4.31Å; I149-A152 HydrophobicContact CB-CB 4.19Å; I149-A152 HydrophobicContact CG2-CB 4.01Å; I149-A152 PolarHBondContact O-N 3.36Å; E150-A152 VanDerWaalsContact C-N 3.31Å; E150-A152 PolarHBondContact O-N 2.88Å
153S82.6Confident89.2Confident70 Ų7048.3 Ų48.349%0.4929%0.289SS..  trans-140.8133173.9179.40000110.4A155S153-A155 WeakPolarHBondContact OG-CB 3.47Å; S153-A155 PolarHBondContact OG-N 3.44Å
154F87.4Confident89.4Confident21 Ų2147.3 Ų47.39%0.09228%0.281CS..  trans-113.922.1174.657.2-87.2000111.2K136 E137 I140 G156K136-F154 PolarHBondContact NZ-O 3.15Å; K136-F154 VanDerWaalsContact NZ-O 3.15Å; E137-F154 HydrophobicContact CB-CB 3.88Å; E137-F154 HydrophobicContact CB-CD2 4.38Å; E137-F154 HydrophobicContact CG-CB 4.43Å; E137-F154 WeakPolarHBondContact OE2-CA 3.45Å; E137-F154 WeakPolarHBondContact OE2-CB 3.37Å; I140-F154 HydrophobicContact CD1-CD1 4.1Å; I140-F154 HydrophobicContact CD1-CE1 3.32Å; I140-F154 HydrophobicContact CD1-CZ 3.84Å; I140-F154 HydrophobicContact CG1-CD1 4.26Å; I140-F154 HydrophobicContact CG1-CE1 3.77Å; I140-F154 HydrophobicContact CG1-CZ 4.08Å; F154-G156 VanDerWaalsContact C-N 3.34Å
155A91.5Very high89.7Confident50 Ų5047.7 Ų47.741%0.41329%0.285SS..SBendtrans-69.6-32.1-177.100000112.7K136 S153K136-A155 WeakPolarHBondContact CE-O 3.29Å; K136-A155 PolarHBondContact NZ-O 3.09Å; S153-A155 WeakPolarHBondContact OG-CB 3.47Å; S153-A155 PolarHBondContact OG-N 3.44Å
156G94.7Very high89.9Confident2 Ų250.2 Ų50.22%0.02128%0.283CS..SBendtrans-78.3-160.4178.900000114.7K136 F154 Y173 Y174K136-G156 VanDerWaalsContact CD-O 3.28Å; K136-G156 WeakPolarHBondContact CD-O 3.38Å; K136-G156 VanDerWaalsContact CE-O 3.25Å; K136-G156 WeakPolarHBondContact CE-O 3.31Å; K136-G156 PolarHBondContact NZ-O 2.83Å; F154-G156 VanDerWaalsContact C-N 3.34Å; G156-Y173 WeakPolarHBondContact CA-OH 3.31Å; G156-Y173 PolarHBondContact N-OH 3.1Å; G156-Y174 CarbonylContact C-O 3.47Å; G156-Y174 WeakPolarHBondContact CA-O 3.38Å
157F97.6Very high90.3Very high0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-147.9170.3175.769.5-84.5000110.4T89 W92 A94 R134 W135 K136 Y159 Y173 Y174T89-F157 HydrophobicContact CG2-CE1 4.43Å; T89-F157 HydrophobicContact CG2-CE2 4.4Å; T89-F157 HydrophobicContact CG2-CZ 3.91Å; W92-F157 HydrophobicContact CB-CD1 3.85Å; W92-F157 HydrophobicContact CB-CE1 3.85Å; W92-F157 HydrophobicContact CD2-CD1 4.15Å; W92-F157 HydrophobicContact CD2-CG 4.47Å; W92-F157 HydrophobicContact CE3-CB 3.98Å; W92-F157 AromaticContact CE3-CD1 3.5Å; W92-F157 HydrophobicContact CE3-CD1 3.5Å; W92-F157 VanDerWaalsContact CE3-CD1 3.5Å; W92-F157 AromaticContact CE3-CD2 3.92Å; W92-F157 HydrophobicContact CE3-CD2 3.92Å; W92-F157 AromaticContact CE3-CE1 3.79Å; W92-F157 HydrophobicContact CE3-CE1 3.79Å; W92-F157 HydrophobicContact CE3-CE2 4.21Å; W92-F157 AromaticContact CE3-CG 3.55Å; W92-F157 HydrophobicContact CE3-CG 3.55Å; W92-F157 HydrophobicContact CE3-CZ 4.13Å; W92-F157 HydrophobicContact CG-CD1 4.35Å; W92-F157 HydrophobicContact CZ3-CB 4.17Å; W92-F157 HydrophobicContact CZ3-CD1 4.36Å; W92-F157 HydrophobicContact CZ3-CD2 4.02Å; W92-F157 HydrophobicContact CZ3-CE2 4.45Å; W92-F157 AromaticContact CZ3-CG 3.96Å; W92-F157 HydrophobicContact CZ3-CG 3.96Å; A94-F157 HydrophobicContact CB-CE1 3.97Å; A94-F157 HydrophobicContact CB-CZ 3.79Å; R134-F157 HydrophobicContact CB-CD2 4.34Å; R134-F157 HydrophobicContact CG-CD2 4.17Å; R134-F157 HydrophobicContact CG-CE2 4.06Å; W135-F157 CarbonylContact O-C 3.6Å; W135-F157 VanDerWaalsContact O-CA 3.3Å; W135-F157 WeakPolarHBondContact O-CA 3.47Å; W135-F157 WeakPolarHBondContact O-CB 3.37Å; K136-F157 HydrophobicContact CB-CB 4.43Å; K136-F157 HydrophobicContact CD-CB 3.77Å; F157-Y159 HydrophobicContact CD2-CD2 4.47Å; F157-Y159 HydrophobicContact CD2-CE2 4.3Å; F157-Y159 HydrophobicContact CE2-CD1 4.28Å; F157-Y159 AromaticContact CE2-CD2 3.93Å; F157-Y159 HydrophobicContact CE2-CD2 3.93Å; F157-Y159 AromaticContact CE2-CE1 3.84Å; F157-Y159 HydrophobicContact CE2-CE1 3.84Å; F157-Y159 AromaticContact CE2-CE2 3.44Å; F157-Y159 HydrophobicContact CE2-CE2 3.44Å; F157-Y159 VanDerWaalsContact CE2-CE2 3.44Å; F157-Y159 HydrophobicContact CE2-CG 4.34Å; F157-Y159 AromaticContact CE2-CZ 3.4Å; F157-Y159 VanDerWaalsContact CE2-CZ 3.4Å; F157-Y159 HydrophobicContact CZ-CE1 4.24Å; F157-Y159 AromaticContact CZ-CE2 3.65Å; F157-Y159 HydrophobicContact CZ-CE2 3.65Å; F157-Y159 AromaticContact CZ-CZ 3.47Å; F157-Y159 VanDerWaalsContact CZ-CZ 3.47Å; F157-Y159 VanDerWaalsContact CZ-OH 3.28Å; F157-Y159 WeakPolarHBondContact CZ-OH 3.45Å; F157-Y173 WeakPolarHBondContact O-CA 3.21Å; F157-Y174 HydrophobicContact CD1-CD1 4.12Å; F157-Y174 AromaticContact CE1-CD1 3.47Å; F157-Y174 HydrophobicContact CE1-CD1 3.47Å; F157-Y174 VanDerWaalsContact CE1-CD1 3.47Å; F157-Y174 HydrophobicContact CE1-CE1 4.14Å; F157-Y174 HydrophobicContact CE1-CG 4.46Å; F157-Y174 HydrophobicContact CZ-CD1 4.03Å; F157-Y174 PolarHBondContact N-O 2.8Å; F157-Y174 PolarHBondContact O-N 3.38Å
158Y98.3Very high91Very high7 Ų745 Ų453%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-113.1134.9-179.6-61.9-102.5000110.7Q33 M60 R134 W135 I160 Y172 Y173 L184Q33-Y158 PolarHBondContact NE2-OH 2.68Å; Q33-Y158 PolarHBondContact OE1-OH 3.21Å; M60-Y158 HydrophobicContact CE-CE2 3.89Å; M60-Y158 VanDerWaalsContact CE-OH 3.3Å; M60-Y158 WeakPolarHBondContact CE-OH 3.28Å; M60-Y158 HydrophobicContact SD-CE2 4.44Å; R134-Y158 CarbonylContact C-O 3.58Å; R134-Y158 WeakPolarHBondContact CA-O 3.32Å; W135-Y158 PolarHBondContact N-O 2.86Å; W135-Y158 PolarHBondContact O-N 2.79Å; Y158-I160 HydrophobicContact CG-CD1 4.41Å; Y158-Y172 WeakPolarHBondContact CA-O 3.4Å; Y158-Y173 HydrophobicContact CD1-CD2 4.3Å; Y158-Y173 HydrophobicContact CD2-CD2 4.1Å; Y158-Y173 AromaticContact CE1-CD2 3.94Å; Y158-Y173 HydrophobicContact CE1-CD2 3.94Å; Y158-Y173 HydrophobicContact CE1-CG 4.28Å; Y158-Y173 AromaticContact CE2-CD2 3.67Å; Y158-Y173 HydrophobicContact CE2-CD2 3.67Å; Y158-Y173 HydrophobicContact CE2-CE2 4.25Å; Y158-Y173 HydrophobicContact CG-CD2 4.38Å; Y158-Y173 AromaticContact CZ-CD2 3.6Å; Y158-L184 HydrophobicContact CD1-CB 4.26Å; Y158-L184 HydrophobicContact CD1-CD2 3.99Å; Y158-L184 HydrophobicContact CE1-CB 4.34Å; Y158-L184 HydrophobicContact CE1-CD2 4.19Å
159Y98.6Very high91.9Very high0 Ų037 Ų370%022%0.224CC..EExtended strand (participates in β ladder)trans-84.9126.3160.8-61.8-97000107.8D99 H102 W103 F157 G171 Y172 Y174D99-Y159 HydrophobicContact CB-CE1 4.47Å; D99-Y159 VanDerWaalsContact OD1-CE1 3.32Å; D99-Y159 WeakPolarHBondContact OD1-CE1 3.36Å; D99-Y159 PolarHBondContact OD1-OH 3.13Å; H102-Y159 HydrophobicContact CB-CD1 3.9Å; H102-Y159 HydrophobicContact CB-CD2 3.41Å; H102-Y159 VanDerWaalsContact CB-CD2 3.41Å; H102-Y159 HydrophobicContact CB-CE1 4.04Å; H102-Y159 HydrophobicContact CB-CE2 3.56Å; H102-Y159 HydrophobicContact CB-CG 3.57Å; H102-Y159 AromaticContact CD2-CD2 3.61Å; H102-Y159 AromaticContact CD2-CE2 3.71Å; H102-Y159 AromaticContact CG-CD2 3.59Å; H102-Y159 AromaticContact CG-CE2 3.48Å; H102-Y159 VanDerWaalsContact CG-CE2 3.48Å; W103-Y159 AromaticContact CD2-CD1 3.77Å; W103-Y159 HydrophobicContact CD2-CD1 3.77Å; W103-Y159 HydrophobicContact CD2-CE1 4.47Å; W103-Y159 AromaticContact CE2-CD1 3.4Å; W103-Y159 VanDerWaalsContact CE2-CD1 3.4Å; W103-Y159 AromaticContact CE2-CE1 3.88Å; W103-Y159 HydrophobicContact CE3-CD1 4.25Å; W103-Y159 HydrophobicContact CG-CD1 4.27Å; W103-Y159 HydrophobicContact CH2-CD1 4.07Å; W103-Y159 AromaticContact CZ2-CD1 3.58Å; W103-Y159 HydrophobicContact CZ2-CD1 3.58Å; W103-Y159 HydrophobicContact CZ2-CE1 4.23Å; W103-Y159 HydrophobicContact CZ3-CD1 4.37Å; W103-Y159 AromaticContact NE1-CD1 3.68Å; W103-Y159 AromaticContact NE1-CE1 3.67Å; F157-Y159 HydrophobicContact CD2-CD2 4.47Å; F157-Y159 HydrophobicContact CD2-CE2 4.3Å; F157-Y159 HydrophobicContact CE2-CD1 4.28Å; F157-Y159 AromaticContact CE2-CD2 3.93Å; F157-Y159 HydrophobicContact CE2-CD2 3.93Å; F157-Y159 AromaticContact CE2-CE1 3.84Å; F157-Y159 HydrophobicContact CE2-CE1 3.84Å; F157-Y159 AromaticContact CE2-CE2 3.44Å; F157-Y159 HydrophobicContact CE2-CE2 3.44Å; F157-Y159 VanDerWaalsContact CE2-CE2 3.44Å; F157-Y159 HydrophobicContact CE2-CG 4.34Å; F157-Y159 AromaticContact CE2-CZ 3.4Å; F157-Y159 VanDerWaalsContact CE2-CZ 3.4Å; F157-Y159 HydrophobicContact CZ-CE1 4.24Å; F157-Y159 AromaticContact CZ-CE2 3.65Å; F157-Y159 HydrophobicContact CZ-CE2 3.65Å; F157-Y159 AromaticContact CZ-CZ 3.47Å; F157-Y159 VanDerWaalsContact CZ-CZ 3.47Å; F157-Y159 VanDerWaalsContact CZ-OH 3.28Å; F157-Y159 WeakPolarHBondContact CZ-OH 3.45Å; Y159-G171 CarbonylContact O-C 3.55Å; Y159-G171 WeakPolarHBondContact O-CA 3.25Å; Y159-Y172 PolarHBondContact N-O 3.09Å; Y159-Y172 PolarHBondContact O-N 3.49Å; Y159-Y174 HydrophobicContact CE2-CG 4.27Å
160I98.6Very high92.7Very high0 Ų038 Ų380%023%0.228CC..EExtended strand (participates in β ladder)trans-128.6135.5-170.5-55.9-66.4000110.3F132 M133 W135 Y158 V169 L184F132-I160 CarbonylContact C-O 3.49Å; F132-I160 WeakPolarHBondContact CA-O 3.46Å; M133-I160 HydrophobicContact CB-CB 4.11Å; M133-I160 HydrophobicContact CE-CB 4.49Å; M133-I160 HydrophobicContact CE-CG2 3.7Å; M133-I160 PolarHBondContact N-O 2.7Å; M133-I160 WeakPolarHBondContact O-CA 3.29Å; M133-I160 WeakPolarHBondContact O-CB 3.41Å; M133-I160 PolarHBondContact O-N 2.86Å; W135-I160 HydrophobicContact CB-CG1 4.39Å; W135-I160 HydrophobicContact CD2-CD1 4.05Å; W135-I160 HydrophobicContact CD2-CG1 3.65Å; W135-I160 HydrophobicContact CE3-CD1 3.77Å; W135-I160 HydrophobicContact CE3-CG1 3.94Å; W135-I160 HydrophobicContact CG-CG1 3.84Å; W135-I160 HydrophobicContact CH2-CG2 4.41Å; W135-I160 HydrophobicContact CZ2-CG2 4.09Å; W135-I160 HydrophobicContact CZ3-CD1 4.08Å; W135-I160 HydrophobicContact CZ3-CG1 4.47Å; Y158-I160 HydrophobicContact CG-CD1 4.41Å; I160-V169 HydrophobicContact CG2-CG1 3.69Å; I160-L184 HydrophobicContact CD1-CD2 3.91Å
161G98.1Very high93.7Very high4 Ų430 Ų304%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-118.9120162.600000109.8V169 L170G161-V169 WeakPolarHBondContact O-CA 3.45Å; G161-L170 PolarHBondContact N-O 3.41Å; G161-L170 PolarHBondContact O-N 3.4Å
162L97.4Very high94.6Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-103114.5171.9168.361.9000109.5L23 F29 T130 I131 M133 K164 H168 V169L23-L162 HydrophobicContact CB-CD2 3.79Å; L23-L162 HydrophobicContact CD1-CD2 4.21Å; L23-L162 HydrophobicContact CG-CD2 4.46Å; F29-L162 HydrophobicContact CE1-CD1 3.73Å; F29-L162 HydrophobicContact CZ-CD1 4.07Å; F29-L162 HydrophobicContact CZ-CD2 4.25Å; T130-L162 CarbonylContact C-O 3.54Å; T130-L162 VanDerWaalsContact CA-O 3.31Å; T130-L162 WeakPolarHBondContact CA-O 3.39Å; I131-L162 HydrophobicContact CB-CB 4.37Å; I131-L162 HydrophobicContact CD1-CD2 4.34Å; I131-L162 PolarHBondContact N-O 3.29Å; I131-L162 PolarHBondContact O-N 3.17Å; M133-L162 HydrophobicContact CE-CB 3.82Å; M133-L162 HydrophobicContact CE-CD2 4.33Å; L162-K164 PolarHBondContact O-N 3.16Å; L162-H168 WeakPolarHBondContact CA-O 3.46Å; L162-V169 HydrophobicContact CB-CG2 4.38Å; L162-V169 HydrophobicContact CD1-CG2 3.61Å
163Q95.8Very high95.3Very high66 Ų6627.6 Ų27.631%0.30816%0.156SC..EExtended strand (participates in β ladder)trans-80.9112.2172.1-168.5176.310.700110.2D129 S165 I166 G167 H168D129-Q163 WeakPolarHBondContact OD2-CG 3.21Å; D129-Q163 PolarHBondContact OD2-NE2 3.11Å; Q163-S165 WeakPolarHBondContact CG-OG 3.49Å; Q163-S165 PolarHBondContact NE2-OG 2.96Å; Q163-I166 HydrophobicContact CB-CG1 4.16Å; Q163-I166 HydrophobicContact CG-CG1 4.06Å; Q163-G167 WeakPolarHBondContact O-CA 2.88Å; Q163-G167 PolarHBondContact O-N 2.95Å; Q163-H168 PolarHBondContact N-O 3.32Å; Q163-H168 PolarHBondContact O-N 2.8Å
164K93.8Very high95.9Very high61 Ų6125 Ų2527%0.26514%0.136SC..THydrogen-bonded Turntrans-62-46.7-175-68.5-177.1-67.3-170.70111.9S128 D129 I131 L162 I166 G167S128-K164 WeakPolarHBondContact O-CE 3.33Å; S128-K164 PolarHBondContact O-NZ 2.67Å; D129-K164 WeakPolarHBondContact O-CB 3.36Å; D129-K164 WeakPolarHBondContact O-CG 3.43Å; D129-K164 PolarHBondContact O-N 3.28Å; I131-K164 HydrophobicContact CD1-CD 3.95Å; I131-K164 HydrophobicContact CD1-CG 3.89Å; I131-K164 HydrophobicContact CG1-CD 3.93Å; I131-K164 HydrophobicContact CG1-CG 3.89Å; L162-K164 PolarHBondContact O-N 3.16Å; K164-I166 VanDerWaalsContact C-N 3.27Å; K164-I166 PolarHBondContact O-N 3.38Å; K164-G167 PolarHBondContact O-N 3.24Å
165S93.1Very high96.2Very high73 Ų7325.9 Ų25.951%0.5114%0.14SC..THydrogen-bonded Turntrans-56.6-33.5-174.756.70000115D129 Q163D129-S165 VanDerWaalsContact OD1-CB 3.27Å; D129-S165 WeakPolarHBondContact OD1-CB 3.49Å; D129-S165 PolarHBondContact OD1-N 3.02Å; D129-S165 PolarHBondContact OD1-OG 2.9Å; D129-S165 WeakPolarHBondContact OD2-CB 3.38Å; D129-S165 PolarHBondContact OD2-OG 3.39Å; Q163-S165 WeakPolarHBondContact CG-OG 3.49Å; Q163-S165 PolarHBondContact NE2-OG 2.96Å
166I93.3Very high96.2Very high112 Ų11228.4 Ų28.457%0.57415%0.146SC*.THydrogen-bonded Turntrans-121.80-176.665167.1000114Q163 K164 H168Q163-I166 HydrophobicContact CB-CG1 4.16Å; Q163-I166 HydrophobicContact CG-CG1 4.06Å; K164-I166 VanDerWaalsContact C-N 3.27Å; K164-I166 PolarHBondContact O-N 3.38Å; I166-H168 VanDerWaalsContact C-N 3.27Å; I166-H168 HydrophobicContact CD1-CB 3.6Å; I166-H168 HydrophobicContact CG1-CB 3.68Å; I166-H168 PolarHBondContact O-N 3.45Å
167G94.2Very high95.9Very high4 Ų434.9 Ų34.94%0.04118%0.181CC..THydrogen-bonded Turntrans61.532.5-177.700000113.8Q163 K164 K187 Y188Q163-G167 WeakPolarHBondContact O-CA 2.88Å; Q163-G167 PolarHBondContact O-N 2.95Å; K164-G167 PolarHBondContact O-N 3.24Å; G167-K187 CarbonylContact O-C 3.54Å; G167-K187 WeakPolarHBondContact O-CA 3.45Å; G167-Y188 PolarHBondContact O-N 2.98Å
168H96.7Very high95.3Very high37 Ų3736.8 Ų36.817%0.17119%0.194CC..EExtended strand (participates in β ladder)trans-96.8128.1179.9-178.9-131.9000110.3L162 Q163 I166 E185 L186L162-H168 WeakPolarHBondContact CA-O 3.46Å; Q163-H168 PolarHBondContact N-O 3.32Å; Q163-H168 PolarHBondContact O-N 2.8Å; I166-H168 VanDerWaalsContact C-N 3.27Å; I166-H168 HydrophobicContact CD1-CB 3.6Å; I166-H168 HydrophobicContact CG1-CB 3.68Å; I166-H168 PolarHBondContact O-N 3.45Å; H168-E185 IonicContact CE1-OE1 3.84Å; H168-E185 VanDerWaalsContact NE2-CG 3.29Å; H168-E185 WeakPolarHBondContact NE2-CG 3.26Å; H168-E185 IonicContact NE2-OE1 2.94Å; H168-E185 PolarHBondContact NE2-OE1 3.2Å; H168-L186 PolarHBondContact CD2-O 3.22Å; H168-L186 VanDerWaalsContact CD2-O 3.29Å
169V98.2Very high94.7Very high1 Ų140.5 Ų40.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-105.6124.4174.3177.70000107.9F29 W135 I160 G161 L162 E185 L186F29-V169 HydrophobicContact CD1-CG2 3.56Å; F29-V169 HydrophobicContact CE1-CG2 3.68Å; F29-V169 HydrophobicContact CG-CG2 4.25Å; F29-V169 HydrophobicContact CZ-CG2 4.43Å; W135-V169 HydrophobicContact CH2-CG1 4.18Å; I160-V169 HydrophobicContact CG2-CG1 3.69Å; G161-V169 WeakPolarHBondContact O-CA 3.45Å; L162-V169 HydrophobicContact CB-CG2 4.38Å; L162-V169 HydrophobicContact CD1-CG2 3.61Å; V169-E185 WeakPolarHBondContact O-CA 3.27Å; V169-L186 HydrophobicContact CB-CB 3.97Å; V169-L186 HydrophobicContact CB-CD1 4.45Å; V169-L186 HydrophobicContact CB-CG 4.43Å; V169-L186 HydrophobicContact CG1-CD1 4.3Å; V169-L186 HydrophobicContact CG2-CB 4.47Å; V169-L186 PolarHBondContact N-O 3.49Å; V169-L186 PolarHBondContact O-N 3.15Å
170L98.4Very high94.2Very high32 Ų3244.6 Ų44.617%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-118.2136.2167.4-177.765.9000108.8P107 G161 Y172 L184P107-L170 HydrophobicContact CG-CD2 4.44Å; G161-L170 PolarHBondContact N-O 3.41Å; G161-L170 PolarHBondContact O-N 3.4Å; L170-Y172 HydrophobicContact CD2-CE2 4.25Å; L170-Y172 HydrophobicContact CG-CE2 4.11Å; L170-L184 CarbonylContact C-O 3.4Å; L170-L184 WeakPolarHBondContact CA-O 3.27Å
171G98.4Very high93.9Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-156169.7177.200000114.8Y159 S183 L184Y159-G171 CarbonylContact O-C 3.55Å; Y159-G171 WeakPolarHBondContact O-CA 3.25Å; G171-S183 CarbonylContact O-C 3.53Å; G171-S183 WeakPolarHBondContact O-CA 3.27Å; G171-L184 PolarHBondContact N-O 2.98Å; G171-L184 PolarHBondContact O-N 3.05Å
172Y97.9Very high93.7Very high35 Ų3548.5 Ų48.514%0.13725%0.248CC..EExtended strand (participates in β ladder)trans-138.7123.6-176.4-62-79.6000109.8K105 I106 Y158 Y159 L170 F181 Q182K105-Y172 HydrophobicContact CB-CD2 3.7Å; K105-Y172 HydrophobicContact CB-CE1 4.31Å; K105-Y172 HydrophobicContact CB-CE2 3.25Å; K105-Y172 HydrophobicContact CB-CG 4.4Å; K105-Y172 HydrophobicContact CD-CD1 4.1Å; K105-Y172 HydrophobicContact CD-CE1 3.82Å; K105-Y172 HydrophobicContact CD-CE2 4.28Å; K105-Y172 HydrophobicContact CD-CG 4.42Å; K105-Y172 HydrophobicContact CG-CE2 4.38Å; I106-Y172 HydrophobicContact CG1-CD2 4.41Å; I106-Y172 HydrophobicContact CG1-CE2 4.32Å; Y158-Y172 WeakPolarHBondContact CA-O 3.4Å; Y159-Y172 PolarHBondContact N-O 3.09Å; Y159-Y172 PolarHBondContact O-N 3.49Å; L170-Y172 HydrophobicContact CD2-CE2 4.25Å; L170-Y172 HydrophobicContact CG-CE2 4.11Å; Y172-F181 HydrophobicContact CD1-CB 3.85Å; Y172-F181 HydrophobicContact CD1-CD1 4.45Å; Y172-F181 HydrophobicContact CE1-CB 4.44Å; Y172-Q182 WeakPolarHBondContact CA-O 3.09Å
173Y96.4Very high93.7Very high4 Ų450 Ų502%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-74.3140.6174179.3-99.8000110.9G156 F157 Y158 H175 Q182G156-Y173 WeakPolarHBondContact CA-OH 3.31Å; G156-Y173 PolarHBondContact N-OH 3.1Å; F157-Y173 WeakPolarHBondContact O-CA 3.21Å; Y158-Y173 HydrophobicContact CD1-CD2 4.3Å; Y158-Y173 HydrophobicContact CD2-CD2 4.1Å; Y158-Y173 AromaticContact CE1-CD2 3.94Å; Y158-Y173 HydrophobicContact CE1-CD2 3.94Å; Y158-Y173 HydrophobicContact CE1-CG 4.28Å; Y158-Y173 AromaticContact CE2-CD2 3.67Å; Y158-Y173 HydrophobicContact CE2-CD2 3.67Å; Y158-Y173 HydrophobicContact CE2-CE2 4.25Å; Y158-Y173 HydrophobicContact CG-CD2 4.38Å; Y158-Y173 AromaticContact CZ-CD2 3.6Å; Y173-H175 HydrophobicContact CE1-CB 3.66Å; Y173-H175 WeakPolarHBondContact OH-CB 3.4Å; Y173-Q182 HydrophobicContact CD1-CG 4.39Å; Y173-Q182 PolarHBondContact N-O 2.86Å
174Y95.8Very high93.8Very high16 Ų1646.9 Ų46.96%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-131.3137171.4172-99.7000111.5D93 A94 T98 H102 G156 F157 Y159D93-Y174 PolarHBondContact O-OH 3.42Å; D93-Y174 VanDerWaalsContact O-OH 3.09Å; A94-Y174 HydrophobicContact CB-CD1 4.43Å; A94-Y174 HydrophobicContact CB-CE1 4.01Å; T98-Y174 HydrophobicContact CG2-CD1 4.13Å; T98-Y174 HydrophobicContact CG2-CD2 3.4Å; T98-Y174 VanDerWaalsContact CG2-CD2 3.4Å; T98-Y174 HydrophobicContact CG2-CE1 4Å; T98-Y174 HydrophobicContact CG2-CE2 3.24Å; T98-Y174 HydrophobicContact CG2-CG 3.83Å; H102-Y174 AromaticContact CE1-CD2 3.6Å; H102-Y174 AromaticContact NE2-CD2 3.84Å; G156-Y174 CarbonylContact C-O 3.47Å; G156-Y174 WeakPolarHBondContact CA-O 3.38Å; F157-Y174 HydrophobicContact CD1-CD1 4.12Å; F157-Y174 AromaticContact CE1-CD1 3.47Å; F157-Y174 HydrophobicContact CE1-CD1 3.47Å; F157-Y174 VanDerWaalsContact CE1-CD1 3.47Å; F157-Y174 HydrophobicContact CE1-CE1 4.14Å; F157-Y174 HydrophobicContact CE1-CG 4.46Å; F157-Y174 HydrophobicContact CZ-CD1 4.03Å; F157-Y174 PolarHBondContact N-O 2.8Å; F157-Y174 PolarHBondContact O-N 3.38Å; Y159-Y174 HydrophobicContact CE2-CG 4.27Å
175H94.2Very high94Very high39 Ų3947.2 Ų47.218%0.18125%0.246CC..  trans-155.6142.5164.5172.9-106.8000108Y173 N177 S178Y173-H175 HydrophobicContact CE1-CB 3.66Å; Y173-H175 WeakPolarHBondContact OH-CB 3.4Å; H175-N177 PolarHBondContact ND1-N 2.99Å; H175-N177 PolarHBondContact O-N 3.27Å; H175-N177 VanDerWaalsContact O-N 3.1Å; H175-S178 PolarHBondContact ND1-OG 2.96Å; H175-S178 PolarHBondContact O-N 2.65Å
176L90.4Very high94.2Very high104 Ų10443.7 Ų43.755%0.54522%0.222SC..THydrogen-bonded Turntrans-52-38.8-172.9-177.363.8000113.7D93D93-L176 HydrophobicContact CB-CB 4.29Å; D93-L176 HydrophobicContact CB-CD2 4.34Å
177N88Confident94.4Very high138 Ų13844.7 Ų44.774%0.73822%0.222SC*.THydrogen-bonded Turntrans-99.919.6-177.2-58.6-52.3000113.3H175H175-N177 PolarHBondContact ND1-N 2.99Å; H175-N177 PolarHBondContact O-N 3.27Å; H175-N177 VanDerWaalsContact O-N 3.1Å
178S86.3Confident94.5Very high40 Ų4048.2 Ų48.228%0.2823%0.234SC..SBendtrans-118.9158.1-176.2-63.80000112H175 M180H175-S178 PolarHBondContact ND1-OG 2.96Å; H175-S178 PolarHBondContact O-N 2.65Å; S178-M180 PolarHBondContact O-N 3.21Å
179E85.6Confident94.2Very high85 Ų8551.6 Ų51.640%0.39725%0.249SC..  trans-57.5134169.3-178.8-173.5-145.500109.6S35 K36S35-E179 PolarHBondContact OG-OE2 2.72Å; K36-E179 WeakPolarHBondContact CG-OE2 2.97Å
180M87.5Confident93.3Very high85 Ų8555.7 Ų55.742%0.41928%0.276SS..THydrogen-bonded Turntrans-66.3147.8176.7-63.8-175.978.800111.1L101 S178 Q182L101-M180 HydrophobicContact CD1-CE 4.13Å; S178-M180 PolarHBondContact O-N 3.21Å; M180-Q182 PolarHBondContact O-N 3.1Å
181F92.2Very high92Very high57 Ų5760.7 Ų60.725%0.2530%0.298CS..THydrogen-bonded Turntrans63.636.5166.5-42.3-57.8000115.5L101 H102 K105 Y172 S183L101-F181 HydrophobicContact CB-CZ 4.22Å; H102-F181 AromaticContact CD2-CD1 3.68Å; H102-F181 AromaticContact CD2-CE1 3.74Å; H102-F181 AromaticContact CE1-CE1 3.73Å; H102-F181 AromaticContact CG-CE1 3.81Å; H102-F181 AromaticContact ND1-CE1 3.81Å; H102-F181 AromaticContact NE2-CD1 3.66Å; H102-F181 AromaticContact NE2-CE1 3.67Å; K105-F181 HydrophobicContact CD-CB 4.15Å; K105-F181 HydrophobicContact CD-CD1 3.48Å; K105-F181 VanDerWaalsContact CD-CD1 3.48Å; K105-F181 HydrophobicContact CD-CD2 4.26Å; K105-F181 HydrophobicContact CD-CE1 3.82Å; K105-F181 HydrophobicContact CD-CG 3.71Å; K105-F181 HydrophobicContact CD-CZ 4.33Å; K105-F181 HydrophobicContact CG-CD1 4.27Å; K105-F181 HydrophobicContact CG-CE1 4.2Å; Y172-F181 HydrophobicContact CD1-CB 3.85Å; Y172-F181 HydrophobicContact CD1-CD1 4.45Å; Y172-F181 HydrophobicContact CE1-CB 4.44Å; F181-S183 PolarHBondContact O-N 3.29Å
182Q94.2Very high90.2Very high30 Ų3066.3 Ų66.314%0.1434%0.337CS..EExtended strand (participates in β ladder)trans-60.6116163.2-45.2178.325.100107.6R34 Y172 Y173 M180R34-Q182 CarbonylContact O-C 3.41Å; R34-Q182 WeakPolarHBondContact O-CA 3.18Å; Y172-Q182 WeakPolarHBondContact CA-O 3.09Å; Y173-Q182 HydrophobicContact CD1-CG 4.39Å; Y173-Q182 PolarHBondContact N-O 2.86Å; M180-Q182 PolarHBondContact O-N 3.1Å
183S96.7Very high88.1Confident31 Ų3169 Ų6922%0.21736%0.358CS..EExtended strand (participates in β ladder)trans-85.1142.1-169.663.20000111Q33 R34 G171 F181Q33-S183 CarbonylContact C-O 3.52Å; Q33-S183 WeakPolarHBondContact CA-O 3.5Å; R34-S183 PolarHBondContact N-O 3.07Å; R34-S183 PolarHBondContact O-N 3.38Å; R34-S183 VanDerWaalsContact O-N 3.08Å; G171-S183 CarbonylContact O-C 3.53Å; G171-S183 WeakPolarHBondContact O-CA 3.27Å; F181-S183 PolarHBondContact O-N 3.29Å
184L98.1Very high85.9Confident0 Ų073.4 Ų73.40%039%0.386CS..EExtended strand (participates in β ladder)trans-116.6123.7170.3-178.566.9000107.4Q33 V42 W135 Y158 I160 L170 G171 L186Q33-L184 HydrophobicContact CB-CD1 4.12Å; V42-L184 HydrophobicContact CB-CD1 4.29Å; V42-L184 HydrophobicContact CG1-CD1 4.05Å; V42-L184 HydrophobicContact CG2-CD1 4.21Å; W135-L184 HydrophobicContact CE3-CD2 4.39Å; W135-L184 HydrophobicContact CZ3-CD2 4.1Å; Y158-L184 HydrophobicContact CD1-CB 4.26Å; Y158-L184 HydrophobicContact CD1-CD2 3.99Å; Y158-L184 HydrophobicContact CE1-CB 4.34Å; Y158-L184 HydrophobicContact CE1-CD2 4.19Å; I160-L184 HydrophobicContact CD1-CD2 3.91Å; L170-L184 CarbonylContact C-O 3.4Å; L170-L184 WeakPolarHBondContact CA-O 3.27Å; G171-L184 PolarHBondContact N-O 2.98Å; G171-L184 PolarHBondContact O-N 3.05Å; L184-L186 HydrophobicContact CD1-CD1 4.32Å; L184-L186 HydrophobicContact CD1-CD2 3.91Å; L184-L186 HydrophobicContact CD1-CG 4.13Å; L184-L186 HydrophobicContact CD2-CD1 4.19Å; L184-L186 HydrophobicContact CG-CD1 4.22Å; L184-L186 HydrophobicContact CG-CD2 4.43Å; L184-L186 HydrophobicContact CG-CG 4.11Å
185E98.3Very high83.7Confident68 Ų6876.5 Ų76.532%0.31841%0.411SS..EExtended strand (participates in β ladder)trans-132.8115.9179.2-168.3-177.4-177.100109.4G31 S32 R34 H168 V169G31-E185 CarbonylContact C-O 3Å; G31-E185 WeakPolarHBondContact CA-O 3.37Å; S32-E185 PolarHBondContact N-O 2.93Å; S32-E185 PolarHBondContact O-N 3.11Å; R34-E185 IonicContact NH2-OE2 3.72Å; H168-E185 IonicContact CE1-OE1 3.84Å; H168-E185 VanDerWaalsContact NE2-CG 3.29Å; H168-E185 WeakPolarHBondContact NE2-CG 3.26Å; H168-E185 IonicContact NE2-OE1 2.94Å; H168-E185 PolarHBondContact NE2-OE1 3.2Å; V169-E185 WeakPolarHBondContact O-CA 3.27Å
186L98.4Very high81.6Confident0 Ų081.4 Ų81.40%044%0.437CS..EExtended strand (participates in β ladder)trans-130.4156.2-177-41.9167.1000111F29 T30 V42 V44 W135 H168 V169 L184F29-L186 HydrophobicContact CB-CB 3.89Å; F29-L186 HydrophobicContact CB-CD1 4.12Å; T30-L186 CarbonylContact O-C 3.55Å; T30-L186 WeakPolarHBondContact O-CA 3.2Å; V42-L186 HydrophobicContact CB-CD2 3.86Å; V42-L186 HydrophobicContact CG1-CD2 3.84Å; V44-L186 HydrophobicContact CB-CD1 4.05Å; V44-L186 HydrophobicContact CG2-CD1 3.61Å; W135-L186 HydrophobicContact CZ3-CD1 4.31Å; H168-L186 PolarHBondContact CD2-O 3.22Å; H168-L186 VanDerWaalsContact CD2-O 3.29Å; V169-L186 HydrophobicContact CB-CB 3.97Å; V169-L186 HydrophobicContact CB-CD1 4.45Å; V169-L186 HydrophobicContact CB-CG 4.43Å; V169-L186 HydrophobicContact CG1-CD1 4.3Å; V169-L186 HydrophobicContact CG2-CB 4.47Å; V169-L186 PolarHBondContact N-O 3.49Å; V169-L186 PolarHBondContact O-N 3.15Å; L184-L186 HydrophobicContact CD1-CD1 4.32Å; L184-L186 HydrophobicContact CD1-CD2 3.91Å; L184-L186 HydrophobicContact CD1-CG 4.13Å; L184-L186 HydrophobicContact CD2-CD1 4.19Å; L184-L186 HydrophobicContact CG-CD1 4.22Å; L184-L186 HydrophobicContact CG-CD2 4.43Å; L184-L186 HydrophobicContact CG-CG 4.11Å
187K97.1Very high79.9Confident133 Ų13384.8 Ų84.858%0.57845%0.447SS*.EExtended strand (participates in β ladder)trans-126.2140.8171.6-67.8-174.4178.1-175.10109.9F29 T30 G167 K189F29-K187 CarbonylContact C-O 3.35Å; F29-K187 VanDerWaalsContact CA-O 3.29Å; F29-K187 WeakPolarHBondContact CA-O 3.37Å; T30-K187 PolarHBondContact N-O 2.82Å; T30-K187 PolarHBondContact O-N 2.93Å; G167-K187 CarbonylContact O-C 3.54Å; G167-K187 WeakPolarHBondContact O-CA 3.45Å; K187-K189 PolarHBondContact O-N 3.06Å
188Y95.4Very high77.8Confident77 Ų7785.7 Ų85.730%0.30245%0.447SS..EExtended strand (participates in β ladder)trans-56.4131.8172.5-179.3-110.3000109.4C22 F29 G167 P190C22-Y188 HydrophobicContact CB-CD1 4.41Å; C22-Y188 HydrophobicContact CB-CD2 3.78Å; C22-Y188 HydrophobicContact CB-CE2 4.24Å; C22-Y188 HydrophobicContact CB-CG 3.87Å; F29-Y188 HydrophobicContact CE1-CD2 4.12Å; F29-Y188 HydrophobicContact CE1-CG 4.43Å; F29-Y188 HydrophobicContact CE2-CD2 4.26Å; F29-Y188 AromaticContact CZ-CD2 3.98Å; F29-Y188 HydrophobicContact CZ-CD2 3.98Å; G167-Y188 PolarHBondContact O-N 2.98Å; Y188-P190 HydrophobicContact CD1-CG 4.15Å; Y188-P190 HydrophobicContact CE1-CB 4.22Å; Y188-P190 HydrophobicContact CE1-CG 4.13Å; Y188-P190 WeakPolarHBondContact O-CD 3.34Å
189K90.5Very high76.2Confident108 Ų10892.1 Ų92.147%0.4748%0.477SS..EExtended strand (participates in β ladder)trans-103.3105173.8-179.1-176.2176.4-173.80106.9V28 T30 K187V28-K189 HydrophobicContact CB-CB 4.45Å; V28-K189 HydrophobicContact CG1-CB 4.47Å; V28-K189 HydrophobicContact CG1-CD 4.34Å; V28-K189 PolarHBondContact O-N 2.76Å; T30-K189 HydrophobicContact CG2-CD 4.16Å; K187-K189 PolarHBondContact O-N 3.06Å
190P79.8Confident74.9Confident88 Ų88102.3 Ų102.357%0.57151%0.512SS*.  trans-56.5143.5172.7-21.232.2000110.3Y188 S192Y188-P190 HydrophobicContact CD1-CG 4.15Å; Y188-P190 HydrophobicContact CE1-CB 4.22Å; Y188-P190 HydrophobicContact CE1-CG 4.13Å; Y188-P190 WeakPolarHBondContact O-CD 3.34Å; P190-S192 PolarHBondContact O-N 2.74Å
191E70.6Confident74.3Confident136 Ų136103.2 Ų103.264%0.63652%0.517SS*.  trans-54.1130.3171.4-73.3-174164.600109.8T193E191-T193 PolarHBondContact O-N 2.93Å
192S60.8Low73.4Confident118 Ų118105.6 Ų105.683%0.82553%0.531SS*.SBendtrans-74.1-7.8-179.561.10000113.1P190P190-S192 PolarHBondContact O-N 2.74Å
193T54Low72.2Confident93 Ų93109.8 Ų109.857%0.57155%0.553SS**SBendtrans-158.9125.2-179.5-35.60000109.2E191 S195E191-T193 PolarHBondContact O-N 2.93Å; T193-S195 PolarHBondContact O-N 2.72Å; T193-S195 VanDerWaalsContact O-N 3.1Å
194P49.2Very low70.8Confident95 Ų95114.5 Ų114.562%0.61757%0.573SS**  trans-60.6119.9167.924-29.7000107.3I196P194-I196 PolarHBondContact O-N 3.2Å
195S51Low69.1Low82 Ų82121.6 Ų121.657%0.57361%0.608SS**  trans-68.487.6173.2-680000108.5T193 F197T193-S195 PolarHBondContact O-N 2.72Å; T193-S195 VanDerWaalsContact O-N 3.1Å; S195-F197 PolarHBondContact O-N 3.35Å
196I49.7Very low67.1Low142 Ų142125.2 Ų125.273%0.72863%0.628SS**  trans-74.479.1171.1-43.9172.2000106.9P194 Q198P194-I196 PolarHBondContact O-N 3.2Å; I196-Q198 HydrophobicContact CG2-CG 4.41Å; I196-Q198 PolarHBondContact O-N 3.18Å; I196-Q198 VanDerWaalsContact O-N 3.12Å
197F55.6Low64.9Low175 Ų175134.1 Ų134.177%0.76867%0.673SS**  trans-76.193.8164.7-71.4-75000107.9S195 L199S195-F197 PolarHBondContact O-N 3.35Å; F197-L199 PolarHBondContact O-N 3.26Å; F197-L199 VanDerWaalsContact O-N 3.15Å
198Q43.4Very low62.4Low157 Ų157134.2 Ų134.273%0.73468%0.68SS**  trans-71.499.9158.8-82.5-170.4-32.700107.9I196 R200I196-Q198 HydrophobicContact CG2-CG 4.41Å; I196-Q198 PolarHBondContact O-N 3.18Å; I196-Q198 VanDerWaalsContact O-N 3.12Å; Q198-R200 PolarHBondContact O-N 3.48Å
199L52.8Low59.7Low174 Ų174139 Ų13991%0.91171%0.711SS**  trans-66.3118.6159.4-70.7167.3000106.9F197F197-L199 PolarHBondContact O-N 3.26Å; F197-L199 VanDerWaalsContact O-N 3.15Å
200R58.8Low56.9Low300 Ų300141.8 Ų141.8100%1.13273%0.733SS**  trans-91.10171.6-63.3-175-176.5-177.21.4109.8Q198Q198-R200 PolarHBondContact O-N 3.48Å

Retrieved 200 of 200 residues in 134.8 ms (Link to these results)

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