A0A077ZHH3_TRITR Loading...

Glutamate decarboxylase

Converts glutamate to gamma-aminobutyrate (GABA), consuming one intracellular proton in the reaction. The gad system helps to maintain a near-neutral intracellular pH when cells are exposed to extremely acidic conditions. The ability to survive transit through the acidic conditions of the stomach is essential for successful colonization of the mammalian host by commensal and pathogenic bacteria.

AlphaFold DB (P69908), UniProt , Accession A0A077ZHH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 466 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
1M40.6Very low54.9Low249 Ų249147.7 Ų147.7100%1.22774%0.737SS**  0128.20-81.5176.6-177.200107.2Q3M1-Q3 PolarHBondContact O-N 3.4Å
2D45.2Very low55.7Low139 Ų139144.2 Ų144.274%0.74372%0.716SS**  trans-51.9114.9-161-86.4-38000115.5K4D2-K4 PolarHBondContact O-N 3.48Å
3Q55.3Low57.8Low171 Ų171143.8 Ų143.880%0.79972%0.717SS**  trans-8364.1151.3-89.2-170.4-23.400109.4M1 L5M1-Q3 PolarHBondContact O-N 3.4Å; Q3-L5 HydrophobicContact CG-CD1 4.08Å; Q3-L5 PolarHBondContact O-N 3.18Å; Q3-L5 VanDerWaalsContact O-N 3.16Å
4K56.3Low59.8Low177 Ų177143.4 Ų143.477%0.7772%0.718SS**  trans-82.562.8154.4-78.2-176.4179.3174.70108.2D2 L6D2-K4 PolarHBondContact O-N 3.48Å; K4-L6 PolarHBondContact O-N 3.18Å; K4-L6 VanDerWaalsContact O-N 3.11Å
5L56.3Low61.8Low79 Ų79135.1 Ų135.141%0.41468%0.677SS.*  trans-68.7105.8166.9-95.2143.8000106.9Q3 T7 F9Q3-L5 HydrophobicContact CG-CD1 4.08Å; Q3-L5 PolarHBondContact O-N 3.18Å; Q3-L5 VanDerWaalsContact O-N 3.16Å; L5-T7 PolarHBondContact O-N 2.99Å; L5-F9 HydrophobicContact CD2-CB 3.99Å
6L55.4Low63.7Low125 Ų125134.3 Ų134.365%0.65469%0.688SS**  trans-43129.1165.1-81.3149.1000108.1K4 D8 F9K4-L6 PolarHBondContact O-N 3.18Å; K4-L6 VanDerWaalsContact O-N 3.11Å; L6-D8 PolarHBondContact O-N 3.01Å; L6-F9 HydrophobicContact CB-CD2 4.07Å; L6-F9 PolarHBondContact O-N 2.73Å
7T61.4Low65.2Low112 Ų112133.2 Ų133.269%0.68767%0.673SS**G310 helixtrans-53.4-27.7-172.432.90000113.5L5 F9L5-T7 PolarHBondContact O-N 2.99Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 2.98Å
8D61.9Low66.7Low155 Ų155129.4 Ų129.483%0.82965%0.651SS**G310 helixtrans-74.9-9.5178.8-66.5-15.8000114.5L6L6-D8 PolarHBondContact O-N 3.01Å
9F56.8Low67.8Low156 Ų156126.2 Ų126.268%0.68466%0.655SS**G310 helixtrans-98.50.3178.2-82.7-82.9000114.3L5 L6 T7 S11L5-F9 HydrophobicContact CD2-CB 3.99Å; L6-F9 HydrophobicContact CB-CD2 4.07Å; L6-F9 PolarHBondContact O-N 2.73Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 2.98Å; F9-S11 PolarHBondContact O-N 2.79Å
10R57.3Low68.7Low166 Ų166122.2 Ų122.263%0.62664%0.641SS**  trans-88.189.3175-63.9-168.9-154.6175.46.2110.3E12R10-E12 PolarHBondContact O-N 3.07Å
11S57.3Low69.4Low96 Ų96122.4 Ų122.467%0.67164%0.636SS**  trans-73.6-0.3163.452.70000113.1F9F9-S11 PolarHBondContact O-N 2.79Å
12E64.9Low71.3Confident105 Ų105111.6 Ų111.649%0.49159%0.587SS.*  trans-123.266.2-160.8-52.3-174.7153.100111.8R10 K21R10-E12 PolarHBondContact O-N 3.07Å; E12-K21 HydrophobicContact CB-CD 4.13Å; E12-K21 HydrophobicContact CB-CG 4.18Å; E12-K21 VanDerWaalsContact CD-CD 3.45Å; E12-K21 HydrophobicContact CG-CD 3.99Å; E12-K21 WeakPolarHBondContact OE1-CD 3.42Å; E12-K21 WeakPolarHBondContact OE1-CE 3.46Å; E12-K21 IonicContact OE1-NZ 2.74Å; E12-K21 PolarHBondContact OE1-NZ 3.19Å; E12-K21 WeakPolarHBondContact OE2-CE 3.31Å; E12-K21 IonicContact OE2-NZ 2.7Å; E12-K21 PolarHBondContact OE2-NZ 3.22Å
13L82.1Confident72.9Confident139 Ų139108.9 Ų108.973%0.72857%0.571SS**PPolyproline II helixtrans-65164.2156.5-69170.8000109.2K21 A22L13-K21 CarbonylContact O-C 3.57Å; L13-K21 WeakPolarHBondContact O-CA 3.3Å; L13-A22 HydrophobicContact CB-CB 4.26Å; L13-A22 WeakPolarHBondContact O-CB 3.18Å; L13-A22 PolarHBondContact O-N 3.45Å
14L86.6Confident74Confident138 Ų138103.8 Ų103.872%0.72356%0.555SS**EExtended strand (participates in β ladder)trans-96.9142.1173.4-65.8175.4000110.1A20L14-A20 CarbonylContact C-O 3.56Å; L14-A20 WeakPolarHBondContact CA-O 3.28Å
15D89.7Confident75Confident20 Ų2097.9 Ų97.911%0.10753%0.534CS..EExtended strand (participates in β ladder)trans-99.3122.9171.6-164.1-60000109.8R17 F18 G19 A20 A22D15-R17 VanDerWaalsContact C-N 3.27Å; D15-R17 PolarHBondContact O-N 3.17Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.48Å; D15-R17 WeakPolarHBondContact OD1-CG 3.49Å; D15-R17 IonicContact OD1-CZ 2.67Å; D15-R17 PolarHBondContact OD1-N 2.92Å; D15-R17 IonicContact OD1-NE 2.63Å; D15-R17 PolarHBondContact OD1-NE 3.41Å; D15-R17 IonicContact OD1-NH2 3.27Å; D15-R17 IonicContact OD2-CZ 2.75Å; D15-R17 IonicContact OD2-NE 3.15Å; D15-R17 PolarHBondContact OD2-NE 3.35Å; D15-R17 IonicContact OD2-NH2 2.73Å; D15-R17 PolarHBondContact OD2-NH2 3.33Å; D15-F18 HydrophobicContact CB-CD2 3.96Å; D15-F18 PolarHBondContact O-N 2.79Å; D15-G19 WeakPolarHBondContact O-CA 3.39Å; D15-G19 PolarHBondContact O-N 2.88Å; D15-A20 PolarHBondContact N-O 2.91Å; D15-A22 HydrophobicContact CB-CB 3.92Å
16S92.1Very high76.1Confident122 Ų122100.9 Ų100.985%0.85355%0.548SS*.THydrogen-bonded Turntrans-67.9-23.9-177.464.20000114.1
17R89.9Confident76.5Confident115 Ų11598.1 Ų98.143%0.43454%0.544SS..THydrogen-bonded Turntrans-72-40.8-179.8-61.2168.2-74.7-171.8-3111D15 D48D15-R17 VanDerWaalsContact C-N 3.27Å; D15-R17 PolarHBondContact O-N 3.17Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.48Å; D15-R17 WeakPolarHBondContact OD1-CG 3.49Å; D15-R17 IonicContact OD1-CZ 2.67Å; D15-R17 PolarHBondContact OD1-N 2.92Å; D15-R17 IonicContact OD1-NE 2.63Å; D15-R17 PolarHBondContact OD1-NE 3.41Å; D15-R17 IonicContact OD1-NH2 3.27Å; D15-R17 IonicContact OD2-CZ 2.75Å; D15-R17 IonicContact OD2-NE 3.15Å; D15-R17 PolarHBondContact OD2-NE 3.35Å; D15-R17 IonicContact OD2-NH2 2.73Å; D15-R17 PolarHBondContact OD2-NH2 3.33Å; R17-D48 WeakPolarHBondContact CD-OD2 3.47Å; R17-D48 IonicContact CZ-OD2 3.39Å; R17-D48 IonicContact NE-OD2 2.73Å; R17-D48 IonicContact NH1-OD2 2.96Å; R17-D48 PolarHBondContact NH1-OD2 2.95Å
18F91Very high77.4Confident65 Ų6596.2 Ų96.229%0.28553%0.527SS..THydrogen-bonded Turntrans-101.3-11-174.8-48.3-60.5000113.1D15 A20 V41 Q44 I45D15-F18 HydrophobicContact CB-CD2 3.96Å; D15-F18 PolarHBondContact O-N 2.79Å; F18-A20 HydrophobicContact CB-CB 4.27Å; F18-A20 PolarHBondContact O-N 3.13Å; F18-V41 HydrophobicContact CD1-CG1 4.29Å; F18-V41 HydrophobicContact CD1-CG2 4.1Å; F18-V41 HydrophobicContact CD2-CG1 4.08Å; F18-V41 HydrophobicContact CE1-CB 4.33Å; F18-V41 HydrophobicContact CE1-CG1 4.04Å; F18-V41 HydrophobicContact CE1-CG2 4.23Å; F18-V41 HydrophobicContact CE2-CG1 3.82Å; F18-V41 HydrophobicContact CG-CG1 4.32Å; F18-V41 HydrophobicContact CZ-CB 4.48Å; F18-V41 HydrophobicContact CZ-CG1 3.81Å; F18-Q44 HydrophobicContact CE1-CB 3.99Å; F18-Q44 HydrophobicContact CE1-CG 4.07Å; F18-Q44 HydrophobicContact CZ-CB 4Å; F18-Q44 HydrophobicContact CZ-CG 4.09Å; F18-I45 HydrophobicContact CE2-CD1 4.03Å; F18-I45 HydrophobicContact CE2-CG1 3.7Å; F18-I45 HydrophobicContact CZ-CD1 4.43Å; F18-I45 HydrophobicContact CZ-CG1 3.8Å
19G87.5Confident78.6Confident69 Ų6992.7 Ų92.771%0.71152%0.515SS*.THydrogen-bonded Turntrans60.426.3-175.300000112.9D15D15-G19 WeakPolarHBondContact O-CA 3.39Å; D15-G19 PolarHBondContact O-N 2.88Å
20A85.7Confident80.3Confident46 Ų4694.6 Ų94.638%0.3852%0.523SS..EExtended strand (participates in β ladder)trans-137.6179-16900000111.1L14 D15 F18 A22L14-A20 CarbonylContact C-O 3.56Å; L14-A20 WeakPolarHBondContact CA-O 3.28Å; D15-A20 PolarHBondContact N-O 2.91Å; F18-A20 HydrophobicContact CB-CB 4.27Å; F18-A20 PolarHBondContact O-N 3.13Å; A20-A22 PolarHBondContact O-N 3.18Å
21K84Confident81.8Confident126 Ų12694.8 Ų94.855%0.54852%0.524SS..EExtended strand (participates in β ladder)trans-58.9128.7175.2-66.5176.4175.9-173.70109.9E12 L13E12-K21 HydrophobicContact CB-CD 4.13Å; E12-K21 HydrophobicContact CB-CG 4.18Å; E12-K21 VanDerWaalsContact CD-CD 3.45Å; E12-K21 HydrophobicContact CG-CD 3.99Å; E12-K21 WeakPolarHBondContact OE1-CD 3.42Å; E12-K21 WeakPolarHBondContact OE1-CE 3.46Å; E12-K21 IonicContact OE1-NZ 2.74Å; E12-K21 PolarHBondContact OE1-NZ 3.19Å; E12-K21 WeakPolarHBondContact OE2-CE 3.31Å; E12-K21 IonicContact OE2-NZ 2.7Å; E12-K21 PolarHBondContact OE2-NZ 3.22Å; L13-K21 CarbonylContact O-C 3.57Å; L13-K21 WeakPolarHBondContact O-CA 3.3Å
22A80.8Confident83.5Confident23 Ų2399.2 Ų99.219%0.1953%0.531CS..  trans-73.1148178.400000110.9L13 D15 A20L13-A22 HydrophobicContact CB-CB 4.26Å; L13-A22 WeakPolarHBondContact O-CB 3.18Å; L13-A22 PolarHBondContact O-N 3.45Å; D15-A22 HydrophobicContact CB-CB 3.92Å; A20-A22 PolarHBondContact O-N 3.18Å
23I77.8Confident84.7Confident81 Ų8198 Ų9842%0.41553%0.532SS..  trans-114112.3165.2-62.5170.2000105.6T25 M37I23-T25 PolarHBondContact O-N 2.98Å; I23-M37 HydrophobicContact CB-CE 4.03Å; I23-M37 HydrophobicContact CD1-CE 3.37Å; I23-M37 HydrophobicContact CD1-CG 4.24Å; I23-M37 HydrophobicContact CD1-SD 4.44Å; I23-M37 HydrophobicContact CG1-CE 4.27Å; I23-M37 HydrophobicContact CG2-CE 3.92Å
24S78.5Confident85.1Confident64 Ų6498 Ų9845%0.44853%0.532SS..  trans-78.6103.81771760000109.5I26 A27 E28S24-I26 PolarHBondContact O-N 3Å; S24-A27 PolarHBondContact O-N 3.04Å; S24-A27 PolarHBondContact OG-N 3.45Å; S24-E28 PolarHBondContact O-N 3.4Å
25T78.9Confident85.3Confident53 Ų5398.6 Ų98.633%0.32553%0.531SS..Hα-helixtrans-59.5-31.5174.653.60000111.3I23 A27 S29 I45 E49I23-T25 PolarHBondContact O-N 2.98Å; T25-A27 PolarHBondContact O-N 3.27Å; T25-S29 WeakPolarHBondContact O-CA 3.4Å; T25-S29 WeakPolarHBondContact O-CB 3.49Å; T25-S29 PolarHBondContact O-N 2.69Å; T25-S29 PolarHBondContact O-OG 3.07Å; T25-I45 HydrophobicContact CG2-CG2 3.64Å; T25-E49 PolarHBondContact OG1-OE1 3.03Å
26I77.6Confident85.5Confident142 Ų142106.9 Ų106.973%0.72857%0.569SS**Hα-helixtrans-66.8-36.8175-60.6174.5000111.5S24 S29S24-I26 PolarHBondContact O-N 3Å; I26-S29 PolarHBondContact O-OG 3.45Å
27A64.6Low85.4Confident68 Ų68104.5 Ų104.556%0.56255%0.545SS*.Hα-helixtrans-82.1-40.2-177.500000112.8S24 T25 S29S24-A27 PolarHBondContact O-N 3.04Å; S24-A27 PolarHBondContact OG-N 3.45Å; T25-A27 PolarHBondContact O-N 3.27Å; A27-S29 VanDerWaalsContact C-N 3.31Å
28E79.8Confident85.6Confident72 Ų72107 Ų10734%0.33656%0.555SS.*Hα-helixtrans-85.31.2178.5-68.7-71.6-175.900113S24 K30 R31S24-E28 PolarHBondContact O-N 3.4Å; E28-K30 PolarHBondContact O-N 3.39Å; E28-R31 WeakPolarHBondContact OE2-CD 3.22Å; E28-R31 IonicContact OE2-CZ 2.91Å; E28-R31 IonicContact OE2-NE 3.89Å
29S88Confident85.8Confident81 Ų81110.3 Ų110.357%0.56658%0.575SS**THydrogen-bonded Turntrans-69.9-12.2-178.355.40000115.5T25 I26 A27T25-S29 WeakPolarHBondContact O-CA 3.4Å; T25-S29 WeakPolarHBondContact O-CB 3.49Å; T25-S29 PolarHBondContact O-N 2.69Å; T25-S29 PolarHBondContact O-OG 3.07Å; I26-S29 PolarHBondContact O-OG 3.45Å; A27-S29 VanDerWaalsContact C-N 3.31Å
30K92.1Very high86.2Confident195 Ų195110.5 Ų110.585%0.84856%0.56SS**THydrogen-bonded Turntrans-97.91.7-175.5-63.2-172.9-178.7-1800114E28E28-K30 PolarHBondContact O-N 3.39Å
31R89.1Confident86.6Confident171 Ų171109.8 Ų109.865%0.64555%0.551SS**SBendtrans-142.3162.5175.868.1-178.388.1171.810.2109E28E28-R31 WeakPolarHBondContact OE2-CD 3.22Å; E28-R31 IonicContact OE2-CZ 2.91Å; E28-R31 IonicContact OE2-NE 3.89Å
32F92.1Very high87Confident188 Ų188105.2 Ų105.283%0.82554%0.537SS*.  trans-67.5135.3170-162.9-87.9000109.5L34F32-L34 PolarHBondContact O-N 2.99Å
33P90.6Very high87.8Confident80 Ų80110.3 Ų110.352%0.51956%0.555SS.*  trans-54.3130.6180-27.235.1000112.1
34L90.3Very high88.6Confident138 Ų138109.7 Ų109.772%0.72355%0.55SS**SBendtrans-76.9-29.2-177.2-176.363.5000113F32F32-L34 PolarHBondContact O-N 2.99Å
35H91.1Very high89.4Confident151 Ų151107 Ų10770%0.69953%0.531SS*.SBendtrans-123.3152.3-172.1-60-51000111.2
36E93.2Very high90.1Very high195 Ų195109.6 Ų109.691%0.91154%0.541SS*.  trans-66.1157.3169.3-64.3175.6-107.800111
37M90.9Very high91Very high71 Ų71105 Ų10535%0.3552%0.519SS..  trans-131.9149.4173.8-170.9-170.5-68.600107I23 D39 V41 A42 I45I23-M37 HydrophobicContact CB-CE 4.03Å; I23-M37 HydrophobicContact CD1-CE 3.37Å; I23-M37 HydrophobicContact CD1-CG 4.24Å; I23-M37 HydrophobicContact CD1-SD 4.44Å; I23-M37 HydrophobicContact CG1-CE 4.27Å; I23-M37 HydrophobicContact CG2-CE 3.92Å; M37-D39 PolarHBondContact O-N 3.37Å; M37-V41 HydrophobicContact CG-CB 4.11Å; M37-V41 HydrophobicContact CG-CG1 3.94Å; M37-V41 HydrophobicContact SD-CB 4.22Å; M37-V41 HydrophobicContact SD-CG1 3.72Å; M37-A42 HydrophobicContact CG-CB 4.49Å; M37-A42 VanDerWaalsContact SD-CA 3.57Å; M37-A42 HydrophobicContact SD-CB 3.75Å; M37-I45 HydrophobicContact CE-CD1 3.98Å; M37-I45 HydrophobicContact SD-CD1 3.82Å
38R94.3Very high92.5Very high169 Ų169103.9 Ų103.964%0.63850%0.503SS*.  trans-58.4141.5170-74.2174.255.8136.2-1.5109.9D40 V41 A42R38-D40 WeakPolarHBondContact CB-OD1 3.47Å; R38-D40 IonicContact CZ-OD1 3.84Å; R38-D40 IonicContact CZ-OD2 3.36Å; R38-D40 IonicContact NE-OD1 2.71Å; R38-D40 PolarHBondContact NE-OD1 3.46Å; R38-D40 IonicContact NE-OD2 3.84Å; R38-D40 IonicContact NH2-OD1 3.98Å; R38-D40 IonicContact NH2-OD2 3.45Å; R38-D40 PolarHBondContact NH2-OD2 2.97Å; R38-D40 PolarHBondContact O-N 3.07Å; R38-V41 HydrophobicContact CB-CB 4.26Å; R38-V41 HydrophobicContact CB-CG2 3.97Å; R38-V41 PolarHBondContact O-N 2.96Å; R38-A42 PolarHBondContact O-N 3.19Å
39D95.8Very high93.2Very high133 Ų133105 Ų10571%0.71151%0.508SS*.Hα-helixtrans-58.4-45.9-178.756.4-14.2000112.5M37 V41 A42 F43M37-D39 PolarHBondContact O-N 3.37Å; D39-V41 PolarHBondContact O-N 3.43Å; D39-A42 PolarHBondContact O-N 3.17Å; D39-F43 WeakPolarHBondContact O-CB 3.39Å; D39-F43 PolarHBondContact O-N 3.08Å
40D95Very high93.6Very high73 Ų73105.8 Ų105.839%0.3951%0.506SS..Hα-helixtrans-63.3-38.2177.760.3-5.2000113.3R38 Q44R38-D40 WeakPolarHBondContact CB-OD1 3.47Å; R38-D40 IonicContact CZ-OD1 3.84Å; R38-D40 IonicContact CZ-OD2 3.36Å; R38-D40 IonicContact NE-OD1 2.71Å; R38-D40 PolarHBondContact NE-OD1 3.46Å; R38-D40 IonicContact NE-OD2 3.84Å; R38-D40 IonicContact NH2-OD1 3.98Å; R38-D40 IonicContact NH2-OD2 3.45Å; R38-D40 PolarHBondContact NH2-OD2 2.97Å; R38-D40 PolarHBondContact O-N 3.07Å; D40-Q44 WeakPolarHBondContact O-CB 3.37Å; D40-Q44 PolarHBondContact O-N 2.74Å
41V93.8Very high93.8Very high31 Ų31105.3 Ų105.319%0.18850%0.5CS..Hα-helixtrans-66.3-46.3174.4177.70000110.5F18 M37 R38 D39 Q44 I45F18-V41 HydrophobicContact CD1-CG1 4.29Å; F18-V41 HydrophobicContact CD1-CG2 4.1Å; F18-V41 HydrophobicContact CD2-CG1 4.08Å; F18-V41 HydrophobicContact CE1-CB 4.33Å; F18-V41 HydrophobicContact CE1-CG1 4.04Å; F18-V41 HydrophobicContact CE1-CG2 4.23Å; F18-V41 HydrophobicContact CE2-CG1 3.82Å; F18-V41 HydrophobicContact CG-CG1 4.32Å; F18-V41 HydrophobicContact CZ-CB 4.48Å; F18-V41 HydrophobicContact CZ-CG1 3.81Å; M37-V41 HydrophobicContact CG-CB 4.11Å; M37-V41 HydrophobicContact CG-CG1 3.94Å; M37-V41 HydrophobicContact SD-CB 4.22Å; M37-V41 HydrophobicContact SD-CG1 3.72Å; R38-V41 HydrophobicContact CB-CB 4.26Å; R38-V41 HydrophobicContact CB-CG2 3.97Å; R38-V41 PolarHBondContact O-N 2.96Å; D39-V41 PolarHBondContact O-N 3.43Å; V41-Q44 PolarHBondContact O-N 2.92Å; V41-I45 HydrophobicContact CG1-CD1 3.9Å; V41-I45 HydrophobicContact CG1-CG1 4.5Å; V41-I45 VanDerWaalsContact O-CG1 3.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 3.47Å
42A93.6Very high94.1Very high31 Ų31104.5 Ų104.526%0.25651%0.508SS..Hα-helixtrans-62.5-45.6178.400000111.5M37 R38 D39 Q44 I45 I46M37-A42 HydrophobicContact CG-CB 4.49Å; M37-A42 VanDerWaalsContact SD-CA 3.57Å; M37-A42 HydrophobicContact SD-CB 3.75Å; R38-A42 PolarHBondContact O-N 3.19Å; D39-A42 PolarHBondContact O-N 3.17Å; A42-Q44 PolarHBondContact O-N 3.46Å; A42-I45 PolarHBondContact O-N 2.77Å; A42-I46 WeakPolarHBondContact O-CG1 3.31Å; A42-I46 PolarHBondContact O-N 3.48Å; A42-I46 VanDerWaalsContact O-N 3.13Å
43F96.3Very high94.1Very high129 Ų129101.3 Ų101.357%0.56650%0.499SS*.Hα-helixtrans-56.6-50.8174.7171.7-95.7000111.1D39 I45 I46 N47D39-F43 WeakPolarHBondContact O-CB 3.39Å; D39-F43 PolarHBondContact O-N 3.08Å; F43-I45 PolarHBondContact O-N 2.95Å; F43-I46 PolarHBondContact O-N 2.74Å; F43-N47 HydrophobicContact CD1-CB 4.49Å; F43-N47 HydrophobicContact CE1-CB 4.12Å; F43-N47 HydrophobicContact CZ-CB 4.14Å; F43-N47 WeakPolarHBondContact O-CB 3.32Å; F43-N47 PolarHBondContact O-N 3.15Å
44Q96.1Very high94.1Very high69 Ų69100.9 Ų100.932%0.32251%0.509SS..Hα-helixtrans-63.6-42.1-177.4-173.766.434.100112.1F18 D40 V41 A42 I46 N47 D48F18-Q44 HydrophobicContact CE1-CB 3.99Å; F18-Q44 HydrophobicContact CE1-CG 4.07Å; F18-Q44 HydrophobicContact CZ-CB 4Å; F18-Q44 HydrophobicContact CZ-CG 4.09Å; D40-Q44 WeakPolarHBondContact O-CB 3.37Å; D40-Q44 PolarHBondContact O-N 2.74Å; V41-Q44 PolarHBondContact O-N 2.92Å; A42-Q44 PolarHBondContact O-N 3.46Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 3.1Å; Q44-N47 PolarHBondContact O-N 3.11Å; Q44-D48 PolarHBondContact NE2-OD1 2.87Å; Q44-D48 WeakPolarHBondContact O-CB 3.17Å; Q44-D48 PolarHBondContact O-N 3.44Å
45I93.7Very high94.1Very high8 Ų8100.2 Ų100.24%0.04151%0.506CS..Hα-helixtrans-57.7-49.3177.6-71.6170.4000110.3F18 T25 M37 V41 A42 F43 D48 E49F18-I45 HydrophobicContact CE2-CD1 4.03Å; F18-I45 HydrophobicContact CE2-CG1 3.7Å; F18-I45 HydrophobicContact CZ-CD1 4.43Å; F18-I45 HydrophobicContact CZ-CG1 3.8Å; T25-I45 HydrophobicContact CG2-CG2 3.64Å; M37-I45 HydrophobicContact CE-CD1 3.98Å; M37-I45 HydrophobicContact SD-CD1 3.82Å; V41-I45 HydrophobicContact CG1-CD1 3.9Å; V41-I45 HydrophobicContact CG1-CG1 4.5Å; V41-I45 VanDerWaalsContact O-CG1 3.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 3.47Å; A42-I45 PolarHBondContact O-N 2.77Å; F43-I45 PolarHBondContact O-N 2.95Å; I45-D48 PolarHBondContact O-N 2.88Å; I45-E49 WeakPolarHBondContact O-CG 3.44Å; I45-E49 PolarHBondContact O-N 3.25Å
46I94.8Very high94.3Very high106 Ų10694.3 Ų94.354%0.54448%0.484SS..Hα-helixtrans-65.9-48.4-180-64.8166.8000110.2A42 F43 Q44 D48 E49 L50A42-I46 WeakPolarHBondContact O-CG1 3.31Å; A42-I46 PolarHBondContact O-N 3.48Å; A42-I46 VanDerWaalsContact O-N 3.13Å; F43-I46 PolarHBondContact O-N 2.74Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 3.1Å; I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 PolarHBondContact O-N 3.31Å; I46-E49 PolarHBondContact O-N 3.49Å; I46-E49 VanDerWaalsContact O-N 3.12Å; I46-L50 HydrophobicContact CG2-CD1 4.32Å; I46-L50 HydrophobicContact CG2-CG 4.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 2.93Å
47N96.3Very high94.5Very high47 Ų4789 Ų8925%0.25146%0.455SS..Hα-helixtrans-58.1-39.1-179.8176.679.4000112.1F43 Q44 L50 Y51F43-N47 HydrophobicContact CD1-CB 4.49Å; F43-N47 HydrophobicContact CE1-CB 4.12Å; F43-N47 HydrophobicContact CZ-CB 4.14Å; F43-N47 WeakPolarHBondContact O-CB 3.32Å; F43-N47 PolarHBondContact O-N 3.15Å; Q44-N47 PolarHBondContact O-N 3.11Å; N47-L50 PolarHBondContact O-N 2.73Å; N47-Y51 VanDerWaalsContact O-CD2 3.23Å; N47-Y51 WeakPolarHBondContact O-CD2 2.96Å
48D95.8Very high94.8Very high43 Ų4388.7 Ų88.723%0.2345%0.453CS..Hα-helixtrans-64.5-43175.6-74.5-16.8000112.1R17 Q44 I45 I46 L50 Y51R17-D48 WeakPolarHBondContact CD-OD2 3.47Å; R17-D48 IonicContact CZ-OD2 3.39Å; R17-D48 IonicContact NE-OD2 2.73Å; R17-D48 IonicContact NH1-OD2 2.96Å; R17-D48 PolarHBondContact NH1-OD2 2.95Å; Q44-D48 PolarHBondContact NE2-OD1 2.87Å; Q44-D48 WeakPolarHBondContact O-CB 3.17Å; Q44-D48 PolarHBondContact O-N 3.44Å; I45-D48 PolarHBondContact O-N 2.88Å; I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 PolarHBondContact O-N 3.31Å; D48-L50 VanDerWaalsContact C-N 3.26Å; D48-L50 PolarHBondContact O-N 3.23Å; D48-Y51 WeakPolarHBondContact O-CB 3.38Å; D48-Y51 PolarHBondContact O-N 3.43Å
49E95.1Very high95Very high96 Ų9682.8 Ų82.845%0.44943%0.434SS..Hα-helixtrans-65.6-31178.3-68.8-175.5-145.300111.6T25 I45 I46 Y51 L52T25-E49 PolarHBondContact OG1-OE1 3.03Å; I45-E49 WeakPolarHBondContact O-CG 3.44Å; I45-E49 PolarHBondContact O-N 3.25Å; I46-E49 PolarHBondContact O-N 3.49Å; I46-E49 VanDerWaalsContact O-N 3.12Å; E49-Y51 PolarHBondContact O-N 2.8Å; E49-L52 VanDerWaalsContact O-CB 3.3Å; E49-L52 WeakPolarHBondContact O-CB 3.31Å; E49-L52 WeakPolarHBondContact O-CG 3.49Å; E49-L52 PolarHBondContact O-N 2.79Å; E49-L52 VanDerWaalsContact O-N 3.07Å
50L95.8Very high95.2Very high98 Ų9876.5 Ų76.551%0.51340%0.401SS..Hα-helixtrans-66.3-18.1175.8-67.1176.6000113.8I46 N47 D48 L52 D53I46-L50 HydrophobicContact CG2-CD1 4.32Å; I46-L50 HydrophobicContact CG2-CG 4.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 2.93Å; N47-L50 PolarHBondContact O-N 2.73Å; D48-L50 VanDerWaalsContact C-N 3.26Å; D48-L50 PolarHBondContact O-N 3.23Å; L50-L52 PolarHBondContact O-N 2.78Å; L50-D53 WeakPolarHBondContact O-CB 3.4Å; L50-D53 PolarHBondContact O-N 3.23Å; L50-D53 VanDerWaalsContact O-N 3.08Å
51Y95.4Very high95.3Very high184 Ų18473.3 Ų73.372%0.72239%0.385SS*.THydrogen-bonded Turntrans-66.5-13.7171.1-79.5-96.3000113.1N47 D48 E49 D53N47-Y51 VanDerWaalsContact O-CD2 3.23Å; N47-Y51 WeakPolarHBondContact O-CD2 2.96Å; D48-Y51 WeakPolarHBondContact O-CB 3.38Å; D48-Y51 PolarHBondContact O-N 3.43Å; E49-Y51 PolarHBondContact O-N 2.8Å; Y51-D53 VanDerWaalsContact C-N 3.26Å
52L95.8Very high95.5Very high155 Ų15572.9 Ų72.981%0.81238%0.382SS*.THydrogen-bonded Turntrans-77.1-14.4173.3-59.7176.5000112.5E49 L50E49-L52 VanDerWaalsContact O-CB 3.3Å; E49-L52 WeakPolarHBondContact O-CB 3.31Å; E49-L52 WeakPolarHBondContact O-CG 3.49Å; E49-L52 PolarHBondContact O-N 2.79Å; E49-L52 VanDerWaalsContact O-N 3.07Å; L50-L52 PolarHBondContact O-N 2.78Å
53D93.5Very high95.7Very high120 Ų12071.5 Ų71.564%0.64237%0.37SS*.SBendtrans-76.1148.4170.7-74.1-22.9000111.3L50 Y51L50-D53 WeakPolarHBondContact O-CB 3.4Å; L50-D53 PolarHBondContact O-N 3.23Å; L50-D53 VanDerWaalsContact O-N 3.08Å; Y51-D53 VanDerWaalsContact C-N 3.26Å
54G89.7Confident95.8Very high72 Ų7266 Ų6674%0.74235%0.348SS*.  trans-81143.1171.800000112A56G54-A56 PolarHBondContact O-N 2.96Å
55N90Very high96Very high123 Ų12363.8 Ų63.866%0.65834%0.338SS*.  trans-73.5-0.4175.467.235.2000114.9R57N55-R57 PolarHBondContact O-N 3.02Å; N55-R57 WeakPolarHBondContact OD1-CB 3.44Å; N55-R57 PolarHBondContact OD1-N 3.19Å
56A95.9Very high96.2Very high27 Ų2764.8 Ų64.822%0.22334%0.344CS..SBendtrans59.75.8178.200000117.9G54 Q58 N59 T66G54-A56 PolarHBondContact O-N 2.96Å; A56-Q58 VanDerWaalsContact C-N 3.3Å; A56-Q58 PolarHBondContact O-N 2.89Å; A56-N59 HydrophobicContact CB-CB 4.05Å; A56-N59 WeakPolarHBondContact O-CB 3.42Å; A56-N59 PolarHBondContact O-N 2.85Å; A56-N59 VanDerWaalsContact O-N 3.08Å; A56-T66 HydrophobicContact CB-CG2 3.63Å
57R97.1Very high96.4Very high83 Ų8364.3 Ų64.331%0.31334%0.335SS..THydrogen-bonded Turntrans-66.7-30.1177-61.3-58.2-175.3115.4-1.4113.3N55 T66 D68N55-R57 PolarHBondContact O-N 3.02Å; N55-R57 WeakPolarHBondContact OD1-CB 3.44Å; N55-R57 PolarHBondContact OD1-N 3.19Å; R57-T66 WeakPolarHBondContact CD-O 3.4Å; R57-T66 PolarHBondContact NE-O 3.29Å; R57-D68 IonicContact CZ-OD2 3.75Å; R57-D68 IonicContact NE-OD2 2.76Å; R57-D68 VanDerWaalsContact NH2-N 3.12Å; R57-D68 IonicContact NH2-OD2 3.65Å; R57-D68 PolarHBondContact NH2-OD2 3.4Å
58Q97.9Very high96.4Very high65 Ų6566.3 Ų66.330%0.30435%0.346SS..THydrogen-bonded Turntrans-100.211.6172.1-64.9-179.3-89.400113A56 L60 R402 G403 W404 Q405A56-Q58 VanDerWaalsContact C-N 3.3Å; A56-Q58 PolarHBondContact O-N 2.89Å; Q58-L60 PolarHBondContact O-N 3.06Å; Q58-R402 PolarHBondContact NE2-O 2.7Å; Q58-G403 WeakPolarHBondContact CB-O 3.44Å; Q58-W404 HydrophobicContact CB-CD2 4.15Å; Q58-W404 HydrophobicContact CB-CE3 3.58Å; Q58-W404 HydrophobicContact CB-CZ3 3.87Å; Q58-W404 HydrophobicContact CG-CD2 4.25Å; Q58-W404 HydrophobicContact CG-CE3 3.85Å; Q58-W404 HydrophobicContact CG-CH2 4.06Å; Q58-W404 HydrophobicContact CG-CZ2 4.42Å; Q58-W404 HydrophobicContact CG-CZ3 3.75Å; Q58-Q405 PolarHBondContact O-N 3.41Å
59N98.3Very high96.6Very high45 Ų4565 Ų6524%0.24134%0.339CS..BIsolated β-bridgetrans-90104174.6-175.7-23.3000110.1A56 A61 T62 Q405 R426A56-N59 HydrophobicContact CB-CB 4.05Å; A56-N59 WeakPolarHBondContact O-CB 3.42Å; A56-N59 PolarHBondContact O-N 2.85Å; A56-N59 VanDerWaalsContact O-N 3.08Å; N59-A61 WeakPolarHBondContact OD1-CA 3.37Å; N59-A61 VanDerWaalsContact OD1-CB 3.27Å; N59-A61 WeakPolarHBondContact OD1-CB 3.44Å; N59-A61 PolarHBondContact OD1-N 2.84Å; N59-T62 PolarHBondContact OD1-N 2.94Å; N59-Q405 HydrophobicContact CB-CB 4.39Å; N59-R426 PolarHBondContact O-NH1 2.7Å; N59-R426 PolarHBondContact O-NH2 3.48Å
60L98.7Very high96.7Very high1 Ų166.7 Ų66.71%0.00535%0.347CS..  trans-9913.3178.9-50.9-178.8000111.9Q58 W404 Q405 V406 I423 M424 F429 L437Q58-L60 PolarHBondContact O-N 3.06Å; L60-W404 HydrophobicContact CD1-CE3 3.97Å; L60-W404 HydrophobicContact CD1-CZ3 4.18Å; L60-W404 HydrophobicContact CG-CE3 4.27Å; L60-W404 HydrophobicContact CG-CZ3 4.49Å; L60-Q405 PolarHBondContact N-O 2.91Å; L60-V406 HydrophobicContact CB-CG2 4.44Å; L60-V406 HydrophobicContact CD1-CG2 4.13Å; L60-I423 HydrophobicContact CB-CG2 4.06Å; L60-I423 HydrophobicContact CD1-CG2 3.83Å; L60-I423 HydrophobicContact CG-CG2 4.47Å; L60-M424 WeakPolarHBondContact O-CB 3.3Å; L60-M424 PolarHBondContact O-N 3.49Å; L60-F429 HydrophobicContact CD1-CE2 4.05Å; L60-F429 HydrophobicContact CD1-CZ 3.92Å; L60-F429 HydrophobicContact CD2-CD1 4.29Å; L60-F429 HydrophobicContact CD2-CD2 3.69Å; L60-F429 HydrophobicContact CD2-CE1 4.36Å; L60-F429 HydrophobicContact CD2-CE2 3.79Å; L60-F429 HydrophobicContact CD2-CG 3.96Å; L60-F429 HydrophobicContact CD2-CZ 4.12Å; L60-L437 HydrophobicContact CD1-CD1 4.16Å; L60-L437 HydrophobicContact CD1-CD2 3.56Å; L60-L437 HydrophobicContact CD1-CG 4.44Å
61A97.6Very high96.9Very high7 Ų765.6 Ų65.66%0.05834%0.342CS..SBendtrans-88.2-49.2173.500000112.5N59 Q405 P407 R422N59-A61 WeakPolarHBondContact OD1-CA 3.37Å; N59-A61 VanDerWaalsContact OD1-CB 3.27Å; N59-A61 WeakPolarHBondContact OD1-CB 3.44Å; N59-A61 PolarHBondContact OD1-N 2.84Å; A61-Q405 HydrophobicContact CB-CG 4.04Å; A61-Q405 PolarHBondContact N-O 2.83Å; A61-P407 HydrophobicContact CB-CB 4.06Å; A61-P407 HydrophobicContact CB-CG 3.6Å; A61-R422 PolarHBondContact O-NH2 2.98Å
62T98Very high97Very high22 Ų2257.8 Ų57.814%0.13531%0.313CS..  trans-70.2156.1-172.3-175.10000112.4N59 C64 T66 M424 R426 T466N59-T62 PolarHBondContact OD1-N 2.94Å; T62-C64 PolarHBondContact OG1-N 3.14Å; T62-T66 HydrophobicContact CG2-CG2 4.25Å; T62-M424 WeakPolarHBondContact O-CG 3.45Å; T62-R426 VanDerWaalsContact CG2-CZ 3.47Å; T62-R426 VanDerWaalsContact O-CD 3.3Å; T62-R426 WeakPolarHBondContact O-CD 3.34Å; T62-R426 PolarHBondContact O-NH1 3.28Å; T62-T466 VanDerWaalsContact CA-OXT 3.28Å; T62-T466 WeakPolarHBondContact CA-OXT 3.46Å; T62-T466 WeakPolarHBondContact CB-OXT 3.46Å; T62-T466 PolarHBondContact OG1-OXT 3.37Å
63F98.6Very high97.2Very high1 Ų155.4 Ų55.40%0.00430%0.298CS..  trans-97.6-14.2173.5-68.8-110.8000112.5T212 K276 F277 I375 R422 M424 R426 T466F63-T212 HydrophobicContact CE2-CG2 3.96Å; F63-T212 HydrophobicContact CZ-CG2 4.04Å; F63-T212 WeakPolarHBondContact CZ-O 3.38Å; F63-K276 HydrophobicContact CB-CD 3.77Å; F63-K276 HydrophobicContact CB-CG 3.84Å; F63-K276 HydrophobicContact CD1-CD 4.41Å; F63-K276 HydrophobicContact CG-CD 4.38Å; F63-K276 WeakPolarHBondContact O-CA 3.29Å; F63-F277 HydrophobicContact CD1-CE2 4.38Å; F63-I375 HydrophobicContact CD1-CD1 4.21Å; F63-I375 HydrophobicContact CE1-CD1 3.49Å; F63-I375 VanDerWaalsContact CE1-CD1 3.49Å; F63-I375 HydrophobicContact CZ-CD1 4.41Å; F63-R422 VanDerWaalsContact CE2-CZ 3.44Å; F63-R422 VanDerWaalsContact CE2-NH2 3.3Å; F63-M424 HydrophobicContact CD1-CE 3.79Å; F63-M424 HydrophobicContact CD1-SD 3.87Å; F63-M424 HydrophobicContact CD2-CE 4.31Å; F63-M424 HydrophobicContact CE1-CE 3.28Å; F63-M424 HydrophobicContact CE1-SD 3.89Å; F63-M424 HydrophobicContact CE2-CE 3.87Å; F63-M424 HydrophobicContact CG-CE 4.28Å; F63-M424 HydrophobicContact CG-SD 4.45Å; F63-M424 HydrophobicContact CZ-CE 3.31Å; F63-M424 HydrophobicContact CZ-SD 4.46Å; F63-R426 WeakPolarHBondContact O-CD 3.01Å; F63-T466 PolarHBondContact N-OXT 3.12Å
64C98.5Very high97.4Very high14 Ų1454.8 Ų54.810%0.09529%0.289CS..SBendtrans-75.8155.6-170.2-62.30000112.6T62 T66 H275 L282 R426T62-C64 PolarHBondContact OG1-N 3.14Å; C64-T66 PolarHBondContact O-N 3.05Å; C64-H275 CarbonylContact C-O 3.58Å; C64-H275 VanDerWaalsContact CA-O 3.29Å; C64-H275 WeakPolarHBondContact CA-O 3.46Å; C64-L282 HydrophobicContact CB-CD2 3.6Å; C64-R426 WeakPolarHBondContact O-CD 3.36Å; C64-R426 PolarHBondContact O-NE 2.97Å
65Q98.6Very high97.9Very high23 Ų2353.7 Ų53.711%0.10727%0.266CS..  trans-60.3133171.9-73.5-56.9-50.300111.7H275 K276 A280Q65-H275 PolarHBondContact N-O 3.17Å; Q65-K276 PolarHBondContact NE2-O 3.3Å; Q65-A280 VanDerWaalsContact CG-O 3.24Å; Q65-A280 WeakPolarHBondContact CG-O 3.3Å
66T98.4Very high98.3Very high29 Ų2950.3 Ų50.318%0.17825%0.247CC..  trans-135.57.2179.455.20000112A56 R57 T62 C64 R426A56-T66 HydrophobicContact CB-CG2 3.63Å; R57-T66 WeakPolarHBondContact CD-O 3.4Å; R57-T66 PolarHBondContact NE-O 3.29Å; T62-T66 HydrophobicContact CG2-CG2 4.25Å; C64-T66 PolarHBondContact O-N 3.05Å; T66-R426 PolarHBondContact OG1-NH2 3.01Å
67W98.4Very high98.4Very high95 Ų9554.4 Ų54.436%0.3627%0.265SS..  trans-96.7126.2176.6-173.684.8000109.7D69 R427W67-D69 HydrophobicContact CE3-CB 4.09Å; W67-D69 HydrophobicContact CH2-CB 4.33Å; W67-D69 HydrophobicContact CZ3-CB 3.5Å; W67-D69 VanDerWaalsContact CZ3-CB 3.5Å; W67-R427 HydrophobicContact CB-CG 4.34Å; W67-R427 HydrophobicContact CG-CG 4.46Å
68D98.3Very high98.5Very high90 Ų9056.4 Ų56.448%0.48128%0.281SS..  trans-84.9121.8-179-63.2-76.5000111.5R57 H73R57-D68 IonicContact CZ-OD2 3.75Å; R57-D68 IonicContact NE-OD2 2.76Å; R57-D68 VanDerWaalsContact NH2-N 3.12Å; R57-D68 IonicContact NH2-OD2 3.65Å; R57-D68 PolarHBondContact NH2-OD2 3.4Å; D68-H73 IonicContact OD1-CD2 3.1Å; D68-H73 IonicContact OD1-CE1 3.89Å; D68-H73 IonicContact OD1-NE2 3.5Å; D68-H73 PolarHBondContact OD1-NE2 2.87Å
69D98.3Very high98.6Very high16 Ų1653.4 Ų53.49%0.08627%0.268CS..  trans-109.3122.4167.8-167.5-46.4000108.7W67 N71 V72 H73 Y329 R427W67-D69 HydrophobicContact CE3-CB 4.09Å; W67-D69 HydrophobicContact CH2-CB 4.33Å; W67-D69 HydrophobicContact CZ3-CB 3.5Å; W67-D69 VanDerWaalsContact CZ3-CB 3.5Å; D69-N71 PolarHBondContact O-N 3.27Å; D69-N71 WeakPolarHBondContact OD1-CB 3.47Å; D69-N71 PolarHBondContact OD1-N 3.28Å; D69-V72 HydrophobicContact CB-CB 3.98Å; D69-V72 HydrophobicContact CB-CG2 3.74Å; D69-V72 WeakPolarHBondContact O-CB 3.43Å; D69-V72 PolarHBondContact O-N 2.96Å; D69-H73 PolarHBondContact O-CD2 2.98Å; D69-H73 PolarHBondContact O-N 2.68Å; D69-Y329 PolarHBondContact OD2-OH 3.3Å; D69-R427 IonicContact OD2-NH2 3.68Å
70E98.7Very high98.6Very high130 Ų13057 Ų5761%0.60729%0.286SS*.Hα-helixtrans-58.6-32.9-179.6-166.4-170.7152.300112.6H73 K74E70-H73 PolarHBondContact O-N 2.99Å; E70-K74 WeakPolarHBondContact O-CG 3.28Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact OE1-CE 3.47Å; E70-K74 IonicContact OE1-NZ 2.66Å; E70-K74 PolarHBondContact OE1-NZ 2.9Å
71N98.9Very high98.6Very high76 Ų7663.1 Ų63.141%0.40632%0.318SS..Hα-helixtrans-69.9-36.9176.5-65.4-36.1000111.5D69 K74 L75 Y329D69-N71 PolarHBondContact O-N 3.27Å; D69-N71 WeakPolarHBondContact OD1-CB 3.47Å; D69-N71 PolarHBondContact OD1-N 3.28Å; N71-K74 PolarHBondContact O-N 3.14Å; N71-L75 WeakPolarHBondContact O-CB 3.32Å; N71-L75 VanDerWaalsContact O-CG 3.26Å; N71-L75 WeakPolarHBondContact O-CG 3.21Å; N71-L75 PolarHBondContact O-N 3.27Å; N71-Y329 HydrophobicContact CB-CE1 4.42Å; N71-Y329 HydrophobicContact CB-CE2 4.07Å; N71-Y329 PolarHBondContact ND2-OH 2.9Å
72V98.8Very high98.6Very high19 Ų1966.2 Ų66.212%0.11533%0.331CS..Hα-helixtrans-64.6-44.4174.4173.10000110.1D69 K74 L75 M76 P281 A326 Y329D69-V72 HydrophobicContact CB-CB 3.98Å; D69-V72 HydrophobicContact CB-CG2 3.74Å; D69-V72 WeakPolarHBondContact O-CB 3.43Å; D69-V72 PolarHBondContact O-N 2.96Å; V72-K74 PolarHBondContact O-N 3.03Å; V72-L75 PolarHBondContact O-N 3.48Å; V72-M76 HydrophobicContact CG1-CG 4.24Å; V72-M76 WeakPolarHBondContact O-CB 3.08Å; V72-M76 VanDerWaalsContact O-CG 3.28Å; V72-M76 WeakPolarHBondContact O-CG 3.38Å; V72-M76 PolarHBondContact O-N 3.24Å; V72-P281 HydrophobicContact CG1-CB 4.24Å; V72-P281 HydrophobicContact CG1-CG 3.98Å; V72-A326 HydrophobicContact CG1-CB 4.16Å; V72-Y329 HydrophobicContact CG2-CD1 3.93Å; V72-Y329 HydrophobicContact CG2-CE1 3.84Å
73H98.8Very high98.6Very high106 Ų10667.1 Ų67.149%0.49133%0.334SS..Hα-helixtrans-55.4-50.2174.9-86.2-90.7000111.9D68 D69 E70 L75 M76 D77D68-H73 IonicContact OD1-CD2 3.1Å; D68-H73 IonicContact OD1-CE1 3.89Å; D68-H73 IonicContact OD1-NE2 3.5Å; D68-H73 PolarHBondContact OD1-NE2 2.87Å; D69-H73 PolarHBondContact O-CD2 2.98Å; D69-H73 PolarHBondContact O-N 2.68Å; E70-H73 PolarHBondContact O-N 2.99Å; H73-L75 PolarHBondContact O-N 2.84Å; H73-M76 PolarHBondContact O-N 3.27Å; H73-D77 WeakPolarHBondContact O-CB 3.41Å; H73-D77 PolarHBondContact O-N 2.89Å
74K98.9Very high98.6Very high107 Ų10767.6 Ų67.647%0.46534%0.336SS..Hα-helixtrans-61.8-41.8178-71.2170.5-175164.60113E70 N71 V72 D77 L78E70-K74 WeakPolarHBondContact O-CG 3.28Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact OE1-CE 3.47Å; E70-K74 IonicContact OE1-NZ 2.66Å; E70-K74 PolarHBondContact OE1-NZ 2.9Å; N71-K74 PolarHBondContact O-N 3.14Å; V72-K74 PolarHBondContact O-N 3.03Å; K74-D77 PolarHBondContact O-N 2.94Å; K74-L78 WeakPolarHBondContact O-CG 3.5Å; K74-L78 PolarHBondContact O-N 2.97Å; K74-L78 VanDerWaalsContact O-N 3.14Å
75L98.9Very high98.5Very high49 Ų4967.2 Ų67.226%0.25733%0.333SS..Hα-helixtrans-66.1-39.6178.1-73.1172.7000111.7N71 V72 H73 S79 I325 Y329N71-L75 WeakPolarHBondContact O-CB 3.32Å; N71-L75 VanDerWaalsContact O-CG 3.26Å; N71-L75 WeakPolarHBondContact O-CG 3.21Å; N71-L75 PolarHBondContact O-N 3.27Å; V72-L75 PolarHBondContact O-N 3.48Å; H73-L75 PolarHBondContact O-N 2.84Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.3Å; L75-I325 HydrophobicContact CB-CG2 4.4Å; L75-I325 HydrophobicContact CD2-CG2 4.06Å; L75-Y329 HydrophobicContact CD1-CD1 4.5Å; L75-Y329 HydrophobicContact CD1-CD2 4.22Å; L75-Y329 HydrophobicContact CD1-CG 3.87Å
76M98.9Very high98.3Very high52 Ų5268.3 Ų68.326%0.25634%0.34SS..Hα-helixtrans-65.4-44176.3-74-62.7-63.800111.7V72 H73 S79 I80 P281 Q323 A326V72-M76 HydrophobicContact CG1-CG 4.24Å; V72-M76 WeakPolarHBondContact O-CB 3.08Å; V72-M76 VanDerWaalsContact O-CG 3.28Å; V72-M76 WeakPolarHBondContact O-CG 3.38Å; V72-M76 PolarHBondContact O-N 3.24Å; H73-M76 PolarHBondContact O-N 3.27Å; M76-S79 CarbonylContact O-C 3.55Å; M76-S79 WeakPolarHBondContact O-CA 3.32Å; M76-S79 PolarHBondContact O-N 2.7Å; M76-I80 PolarHBondContact O-N 2.66Å; M76-I80 VanDerWaalsContact O-N 3.15Å; M76-P281 HydrophobicContact CG-CG 4.17Å; M76-P281 HydrophobicContact SD-CG 3.76Å; M76-Q323 HydrophobicContact CE-CG 4.12Å; M76-Q323 HydrophobicContact SD-CG 4.34Å; M76-A326 HydrophobicContact SD-CB 4.31Å
77D98.8Very high98.1Very high113 Ų11368.3 Ų68.360%0.60434%0.337SS*.Hα-helixtrans-59-50.3178-178.269.1000112.1H73 K74 S79 I80H73-D77 WeakPolarHBondContact O-CB 3.41Å; H73-D77 PolarHBondContact O-N 2.89Å; K74-D77 PolarHBondContact O-N 2.94Å; D77-S79 PolarHBondContact O-N 2.85Å; D77-I80 VanDerWaalsContact O-CG2 3.31Å; D77-I80 WeakPolarHBondContact O-CG2 3.48Å; D77-I80 PolarHBondContact O-N 3.5Å
78L98.8Very high97.9Very high124 Ų12468.2 Ų68.265%0.64934%0.341SS*.Hα-helixtrans-60-19.9174.9-70174000113.6K74 K82K74-L78 WeakPolarHBondContact O-CG 3.5Å; K74-L78 PolarHBondContact O-N 2.97Å; K74-L78 VanDerWaalsContact O-N 3.14Å; L78-K82 WeakPolarHBondContact O-CE 3.42Å
79S98.7Very high97.8Very high3 Ų370 Ų702%0.02135%0.346CS..THydrogen-bonded Turntrans-104.82.9-173.2-55.60000113.8L75 M76 D77 N81 K82 I325L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.23Å; L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.3Å; M76-S79 CarbonylContact O-C 3.55Å; M76-S79 WeakPolarHBondContact O-CA 3.32Å; M76-S79 PolarHBondContact O-N 2.7Å; D77-S79 PolarHBondContact O-N 2.85Å; S79-N81 PolarHBondContact O-N 3.29Å; S79-N81 VanDerWaalsContact O-N 3.14Å; S79-K82 PolarHBondContact O-N 3.19Å; S79-K82 VanDerWaalsContact O-N 3.07Å; S79-I325 VanDerWaalsContact OG-CD1 3.28Å; S79-I325 WeakPolarHBondContact OG-CD1 3.33Å
80I98.5Very high97.7Very high120 Ų12072 Ų7262%0.61535%0.353SS*.THydrogen-bonded Turntrans-55-35.7-177.7-166.5170.8000112.6M76 D77M76-I80 PolarHBondContact O-N 2.66Å; M76-I80 VanDerWaalsContact O-N 3.15Å; D77-I80 VanDerWaalsContact O-CG2 3.31Å; D77-I80 WeakPolarHBondContact O-CG2 3.48Å; D77-I80 PolarHBondContact O-N 3.5Å
81N98.4Very high97.6Very high130 Ų13069.5 Ų69.570%0.69535%0.348SS*.THydrogen-bonded Turntrans-104.42.4-179.1-65.3-27.9000114.1S79 N83 Y90S79-N81 PolarHBondContact O-N 3.29Å; S79-N81 VanDerWaalsContact O-N 3.14Å; N81-N83 PolarHBondContact O-N 2.91Å; N81-Y90 PolarHBondContact O-OH 2.96Å; N81-Y90 VanDerWaalsContact O-OH 3.08Å
82K98.6Very high97.6Very high72 Ų7271.4 Ų71.431%0.31336%0.355SS..  trans-79.4104.1178.9-66.9-176.6-173.4-60.80109.1L78 S79 W84 Y90 P320 A321 I325L78-K82 WeakPolarHBondContact O-CE 3.42Å; S79-K82 PolarHBondContact O-N 3.19Å; S79-K82 VanDerWaalsContact O-N 3.07Å; K82-W84 PolarHBondContact O-N 3.24Å; K82-Y90 HydrophobicContact CB-CD1 4.16Å; K82-Y90 HydrophobicContact CB-CE1 4.37Å; K82-Y90 HydrophobicContact CG-CD1 4.02Å; K82-Y90 HydrophobicContact CG-CE1 4.16Å; K82-P320 CarbonylContact O-C 3.55Å; K82-A321 HydrophobicContact CB-CB 4.17Å; K82-A321 WeakPolarHBondContact O-CB 3.17Å; K82-A321 PolarHBondContact O-N 2.63Å; K82-I325 HydrophobicContact CD-CD1 3.96Å
83N98.2Very high97.6Very high40 Ų4071.1 Ų71.121%0.21435%0.353CS..BIsolated β-bridgetrans-77.7115.3-178-171.75.1000110.7N81 I85 D86 Y90 S318 R319N81-N83 PolarHBondContact O-N 2.91Å; N83-I85 VanDerWaalsContact C-N 3.27Å; N83-I85 PolarHBondContact O-N 3.47Å; N83-I85 PolarHBondContact OD1-N 2.98Å; N83-D86 HydrophobicContact CB-CB 4.06Å; N83-D86 PolarHBondContact O-N 3.11Å; N83-Y90 HydrophobicContact CB-CD2 4.06Å; N83-Y90 HydrophobicContact CB-CE2 3.65Å; N83-Y90 VanDerWaalsContact N-CE2 3.27Å; N83-Y90 VanDerWaalsContact O-CD2 3.26Å; N83-Y90 WeakPolarHBondContact O-CD2 3.01Å; N83-S318 PolarHBondContact ND2-OG 3.39Å; N83-S318 WeakPolarHBondContact OD1-CA 3.49Å; N83-R319 PolarHBondContact OD1-N 3.17Å; N83-R319 PolarHBondContact OD1-O 3.15Å
84W98.2Very high97.5Very high12 Ų1266.8 Ų66.85%0.04534%0.336CS..THydrogen-bonded Turntrans-58.4-36.8-177.8175.885.3000112.7K82 D86 K87 D97 R319 A321K82-W84 PolarHBondContact O-N 3.24Å; W84-D86 VanDerWaalsContact C-N 3.33Å; W84-K87 WeakPolarHBondContact O-CE 3.4Å; W84-K87 PolarHBondContact O-NZ 3.5Å; W84-D97 VanDerWaalsContact NE1-CG 3.29Å; W84-D97 PolarHBondContact NE1-OD2 3.14Å; W84-R319 HydrophobicContact CB-CG 3.92Å; W84-R319 WeakPolarHBondContact CB-O 3.1Å; W84-R319 HydrophobicContact CE3-CG 4.3Å; W84-R319 HydrophobicContact CG-CG 4.46Å; W84-R319 VanDerWaalsContact CZ2-NH2 3.32Å; W84-R319 PolarHBondContact N-O 3.11Å; W84-A321 HydrophobicContact CB-CB 4.11Å
85I96.2Very high97.4Very high5 Ų563.1 Ų63.13%0.02633%0.326CS..THydrogen-bonded Turntrans-77.2-21.1-177.4-160.262.6000113N83 K87 Y305 F317N83-I85 VanDerWaalsContact C-N 3.27Å; N83-I85 PolarHBondContact O-N 3.47Å; N83-I85 PolarHBondContact OD1-N 2.98Å; I85-K87 PolarHBondContact O-N 2.99Å; I85-K87 VanDerWaalsContact O-N 3.07Å; I85-Y305 PolarHBondContact O-OH 3.39Å; I85-F317 HydrophobicContact CD1-CD2 4.25Å; I85-F317 HydrophobicContact CD1-CE2 4.21Å; I85-F317 HydrophobicContact CG1-CD1 4.36Å; I85-F317 HydrophobicContact CG1-CD2 3.82Å; I85-F317 HydrophobicContact CG1-CE1 4.2Å; I85-F317 HydrophobicContact CG1-CE2 3.64Å; I85-F317 HydrophobicContact CG1-CG 4.18Å; I85-F317 HydrophobicContact CG1-CZ 3.84Å; I85-F317 HydrophobicContact CG2-CD1 4.01Å; I85-F317 HydrophobicContact CG2-CE1 3.93Å; I85-F317 HydrophobicContact CG2-CG 4.48Å; I85-F317 HydrophobicContact CG2-CZ 4.34Å
86D95.1Very high97.4Very high47 Ų4761.8 Ų61.825%0.25132%0.319SS..  trans-85.787.7-178.2-174.3-10.8000109.8N83 W84 E88 E89 Y90N83-D86 HydrophobicContact CB-CB 4.06Å; N83-D86 PolarHBondContact O-N 3.11Å; W84-D86 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.45Å; D86-E88 WeakPolarHBondContact OD1-CB 3.45Å; D86-E88 PolarHBondContact OD1-N 3.43Å; D86-E88 VanDerWaalsContact OD1-N 3.16Å; D86-E89 PolarHBondContact OD1-N 3.34Å; D86-E89 WeakPolarHBondContact OD2-CB 3.36Å; D86-Y90 HydrophobicContact CB-CD2 3.86Å; D86-Y90 HydrophobicContact CB-CE2 4.05Å; D86-Y90 WeakPolarHBondContact O-CB 3.34Å; D86-Y90 WeakPolarHBondContact O-CD2 3.39Å; D86-Y90 PolarHBondContact O-N 3.16Å
87K94.6Very high97.4Very high29 Ų2959.7 Ų59.713%0.12631%0.308CS..THydrogen-bonded Turntrans-75.9-7.5-179.2-54.4-59-170.2-64.40112.5W84 I85 A94 Y305 I310W84-K87 WeakPolarHBondContact O-CE 3.4Å; W84-K87 PolarHBondContact O-NZ 3.5Å; I85-K87 PolarHBondContact O-N 2.99Å; I85-K87 VanDerWaalsContact O-N 3.07Å; K87-A94 HydrophobicContact CB-CB 4.43Å; K87-A94 HydrophobicContact CD-CB 3.47Å; K87-A94 VanDerWaalsContact CD-CB 3.47Å; K87-Y305 HydrophobicContact CB-CD1 4.4Å; K87-Y305 HydrophobicContact CB-CD2 4.42Å; K87-Y305 HydrophobicContact CB-CE1 4.19Å; K87-Y305 HydrophobicContact CB-CE2 4.22Å; K87-Y305 HydrophobicContact CG-CE1 4.49Å; K87-Y305 HydrophobicContact CG-CE2 4.16Å; K87-I310 HydrophobicContact CB-CD1 3.75Å; K87-I310 HydrophobicContact CG-CD1 3.89Å
88E93.6Very high97.4Very high92 Ų9258.2 Ų58.243%0.4330%0.3SS..THydrogen-bonded Turntrans-90.1-53.3-179179.5175-7600111.1D86 P91 Y305 L306D86-E88 PolarHBondContact O-N 3.45Å; D86-E88 WeakPolarHBondContact OD1-CB 3.45Å; D86-E88 PolarHBondContact OD1-N 3.43Å; D86-E88 VanDerWaalsContact OD1-N 3.16Å; E88-P91 WeakPolarHBondContact O-CD 3.14Å; E88-Y305 HydrophobicContact CB-CD1 4.08Å; E88-L306 HydrophobicContact CG-CB 4.29Å; E88-L306 HydrophobicContact CG-CD1 4.27Å; E88-L306 WeakPolarHBondContact OE1-CB 3.27Å; E88-L306 WeakPolarHBondContact OE1-CD1 3.4Å; E88-L306 WeakPolarHBondContact OE1-CG 3.14Å; E88-L306 PolarHBondContact OE1-N 2.8Å
89E95.6Very high97.4Very high128 Ų12857 Ų5760%0.59829%0.287SS*.THydrogen-bonded Turntrans-76.1-31.1179-173.862.3-156.800111.6D86 P91D86-E89 PolarHBondContact OD1-N 3.34Å; D86-E89 WeakPolarHBondContact OD2-CB 3.36Å; E89-P91 WeakPolarHBondContact O-CD 3.4Å
90Y97Very high97.4Very high57 Ų5756.9 Ų56.922%0.22429%0.286CS..  trans-116.254.3-177.4-48.2-73.1000113.8N81 K82 N83 D86 Q92 S93 A94N81-Y90 PolarHBondContact O-OH 2.96Å; N81-Y90 VanDerWaalsContact O-OH 3.08Å; K82-Y90 HydrophobicContact CB-CD1 4.16Å; K82-Y90 HydrophobicContact CB-CE1 4.37Å; K82-Y90 HydrophobicContact CG-CD1 4.02Å; K82-Y90 HydrophobicContact CG-CE1 4.16Å; N83-Y90 HydrophobicContact CB-CD2 4.06Å; N83-Y90 HydrophobicContact CB-CE2 3.65Å; N83-Y90 VanDerWaalsContact N-CE2 3.27Å; N83-Y90 VanDerWaalsContact O-CD2 3.26Å; N83-Y90 WeakPolarHBondContact O-CD2 3.01Å; D86-Y90 HydrophobicContact CB-CD2 3.86Å; D86-Y90 HydrophobicContact CB-CE2 4.05Å; D86-Y90 WeakPolarHBondContact O-CB 3.34Å; D86-Y90 WeakPolarHBondContact O-CD2 3.39Å; D86-Y90 PolarHBondContact O-N 3.16Å; Y90-Q92 PolarHBondContact O-N 3.22Å; Y90-S93 WeakPolarHBondContact O-CB 3.41Å; Y90-S93 PolarHBondContact O-N 3.02Å; Y90-S93 VanDerWaalsContact O-N 3.09Å; Y90-A94 PolarHBondContact O-N 3.23Å
91P96.3Very high97.4Very high79 Ų7951.2 Ų51.251%0.51326%0.257SS..Hα-helixtrans-65.7-28.4-174.528.8-34.9000112.2E88 E89 A94 A95E88-P91 WeakPolarHBondContact O-CD 3.14Å; E89-P91 WeakPolarHBondContact O-CD 3.4Å; P91-A94 WeakPolarHBondContact O-CB 3.48Å; P91-A94 PolarHBondContact O-N 3.43Å; P91-A95 WeakPolarHBondContact O-CB 3.33Å; P91-A95 PolarHBondContact O-N 3.15Å
92Q98.5Very high97.4Very high115 Ų11547.4 Ų47.454%0.53724%0.236SC..Hα-helixtrans-73.1-34.9176.8-167.657.353.400112.4Y90 I96Y90-Q92 PolarHBondContact O-N 3.22Å; Q92-I96 WeakPolarHBondContact O-CG1 3.47Å; Q92-I96 PolarHBondContact O-N 3.19Å; Q92-I96 VanDerWaalsContact O-N 3.17Å
93S98.4Very high97.4Very high13 Ų1347.4 Ų47.49%0.09124%0.238CC..Hα-helixtrans-67.7-42.8172.4-58.40000110.4Y90 A95 I96 D97Y90-S93 WeakPolarHBondContact O-CB 3.41Å; Y90-S93 PolarHBondContact O-N 3.02Å; Y90-S93 VanDerWaalsContact O-N 3.09Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 3.17Å; S93-I96 PolarHBondContact O-N 3.39Å; S93-D97 PolarHBondContact O-N 3.44Å
94A96.8Very high97.5Very high15 Ų1545.5 Ų45.512%0.12423%0.228CC..Hα-helixtrans-57.6-44.9173.600000112.5K87 Y90 P91 I96 D97 L98K87-A94 HydrophobicContact CB-CB 4.43Å; K87-A94 HydrophobicContact CD-CB 3.47Å; K87-A94 VanDerWaalsContact CD-CB 3.47Å; Y90-A94 PolarHBondContact O-N 3.23Å; P91-A94 WeakPolarHBondContact O-CB 3.48Å; P91-A94 PolarHBondContact O-N 3.43Å; A94-I96 VanDerWaalsContact C-N 3.29Å; A94-I96 PolarHBondContact O-N 3.46Å; A94-D97 WeakPolarHBondContact O-CB 3.4Å; A94-D97 PolarHBondContact O-N 3.09Å; A94-L98 PolarHBondContact O-N 3.21Å; A94-L98 VanDerWaalsContact O-N 3.15Å
95A97.9Very high97.5Very high30 Ų3045.1 Ų45.125%0.24823%0.228CC..Hα-helixtrans-62.9-36.1177.200000112.3P91 S93 R99P91-A95 WeakPolarHBondContact O-CB 3.33Å; P91-A95 PolarHBondContact O-N 3.15Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 3.17Å; A95-R99 WeakPolarHBondContact O-CD 3.48Å; A95-R99 VanDerWaalsContact O-CG 3.22Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 2.97Å
96I98.9Very high97.6Very high22 Ų2249.7 Ų49.711%0.11325%0.252CS..Hα-helixtrans-66.8-42.9175.1-71.4169.6000111Q92 S93 A94 L98 R99 C100 V324 I325 Y328Q92-I96 WeakPolarHBondContact O-CG1 3.47Å; Q92-I96 PolarHBondContact O-N 3.19Å; Q92-I96 VanDerWaalsContact O-N 3.17Å; S93-I96 PolarHBondContact O-N 3.39Å; A94-I96 VanDerWaalsContact C-N 3.29Å; A94-I96 PolarHBondContact O-N 3.46Å; I96-L98 PolarHBondContact O-N 2.9Å; I96-R99 WeakPolarHBondContact O-CB 3.42Å; I96-R99 PolarHBondContact O-N 2.69Å; I96-R99 VanDerWaalsContact O-N 3.16Å; I96-C100 PolarHBondContact O-N 3.28Å; I96-V324 HydrophobicContact CG2-CG1 4.2Å; I96-I325 HydrophobicContact CD1-CG1 4.38Å; I96-Y328 HydrophobicContact CD1-CD1 4.32Å; I96-Y328 HydrophobicContact CG1-CD1 4.15Å; I96-Y328 HydrophobicContact CG1-CE1 4.23Å; I96-Y328 VanDerWaalsContact CG2-CB 3.48Å; I96-Y328 HydrophobicContact CG2-CD1 3.72Å; I96-Y328 HydrophobicContact CG2-CD2 4.1Å; I96-Y328 HydrophobicContact CG2-CE1 4.46Å; I96-Y328 HydrophobicContact CG2-CG 3.51Å
97D98.8Very high97.8Very high7 Ų748.1 Ų48.14%0.03724%0.244CC..Hα-helixtrans-55.8-49.8177.7-169.143000112W84 S93 A94 R99 C100 V101 N122 V324W84-D97 VanDerWaalsContact NE1-CG 3.29Å; W84-D97 PolarHBondContact NE1-OD2 3.14Å; S93-D97 PolarHBondContact O-N 3.44Å; A94-D97 WeakPolarHBondContact O-CB 3.4Å; A94-D97 PolarHBondContact O-N 3.09Å; D97-R99 VanDerWaalsContact C-N 3.3Å; D97-R99 PolarHBondContact O-N 2.86Å; D97-C100 WeakPolarHBondContact O-CB 3.43Å; D97-C100 PolarHBondContact O-N 3.33Å; D97-C100 VanDerWaalsContact O-N 3.11Å; D97-V101 WeakPolarHBondContact O-CG2 3.4Å; D97-V101 PolarHBondContact O-N 3.3Å; D97-N122 WeakPolarHBondContact OD1-CB 3.46Å; D97-V324 HydrophobicContact CB-CG1 3.9Å
98L98.2Very high98Very high82 Ų8246.7 Ų46.743%0.42924%0.238SC..Hα-helixtrans-63.7-33.3178.2-66178.8000113.2A94 I96 V101 N102 Q117A94-L98 PolarHBondContact O-N 3.21Å; A94-L98 VanDerWaalsContact O-N 3.15Å; I96-L98 PolarHBondContact O-N 2.9Å; L98-V101 PolarHBondContact O-N 2.88Å; L98-N102 PolarHBondContact O-N 3.49Å; L98-N102 VanDerWaalsContact O-N 3.11Å; L98-N102 PolarHBondContact O-ND2 2.81Å; L98-Q117 PolarHBondContact O-NE2 3.49Å
99R98.8Very high98.3Very high100 Ų10046.5 Ų46.538%0.37724%0.236SC..Hα-helixtrans-64.7-44.6172.4-69.1165.9-163.9177.20.8111.1A95 I96 D97 V101 N102 M103 Y328A95-R99 WeakPolarHBondContact O-CD 3.48Å; A95-R99 VanDerWaalsContact O-CG 3.22Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 2.97Å; I96-R99 WeakPolarHBondContact O-CB 3.42Å; I96-R99 PolarHBondContact O-N 2.69Å; I96-R99 VanDerWaalsContact O-N 3.16Å; D97-R99 VanDerWaalsContact C-N 3.3Å; D97-R99 PolarHBondContact O-N 2.86Å; R99-V101 VanDerWaalsContact C-N 3.35Å; R99-V101 PolarHBondContact O-N 2.68Å; R99-N102 PolarHBondContact O-N 3.27Å; R99-M103 VanDerWaalsContact O-CG 3.32Å; R99-M103 WeakPolarHBondContact O-CG 3.45Å; R99-M103 PolarHBondContact O-N 3.19Å; R99-Y328 HydrophobicContact CB-CE2 3.99Å; R99-Y328 PolarHBondContact NH1-OH 3.33Å
100C98.9Very high98.4Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-61.2-43.1176.4-71.90000111.6I96 D97 N102 M103 V104 W286 F331I96-C100 PolarHBondContact O-N 3.28Å; D97-C100 WeakPolarHBondContact O-CB 3.43Å; D97-C100 PolarHBondContact O-N 3.33Å; D97-C100 VanDerWaalsContact O-N 3.11Å; C100-N102 VanDerWaalsContact C-N 3.31Å; C100-N102 PolarHBondContact O-N 3.47Å; C100-M103 PolarHBondContact O-N 3.22Å; C100-V104 WeakPolarHBondContact O-CG2 3.49Å; C100-V104 PolarHBondContact O-N 3.1Å; C100-W286 HydrophobicContact CB-CH2 3.23Å; C100-W286 HydrophobicContact CB-CZ2 3.78Å; C100-W286 HydrophobicContact CB-CZ3 3.76Å; C100-F331 HydrophobicContact CB-CE2 4.08Å
101V98.8Very high98.5Very high1 Ų141.4 Ų41.41%0.00622%0.223CC..Hα-helixtrans-55.4-47.3174.2171.90000110.9D97 L98 R99 V104 A105 A118 W286 I288D97-V101 WeakPolarHBondContact O-CG2 3.4Å; D97-V101 PolarHBondContact O-N 3.3Å; L98-V101 PolarHBondContact O-N 2.88Å; R99-V101 VanDerWaalsContact C-N 3.35Å; R99-V101 PolarHBondContact O-N 2.68Å; V101-V104 PolarHBondContact O-N 3.44Å; V101-A105 VanDerWaalsContact O-CB 3.28Å; V101-A105 WeakPolarHBondContact O-CB 3.21Å; V101-A105 PolarHBondContact O-N 2.97Å; V101-A118 HydrophobicContact CG1-CB 4.21Å; V101-W286 HydrophobicContact CG2-CE3 4.32Å; V101-W286 HydrophobicContact CG2-CZ3 3.92Å; V101-I288 HydrophobicContact CG1-CD1 3.88Å
102N98.8Very high98.5Very high49 Ų4942.1 Ų42.126%0.26224%0.236SC..Hα-helixtrans-63.1-43.6176.9-72.3-31.2000112.7L98 R99 C100 A105 D106 Q117 A118L98-N102 PolarHBondContact O-N 3.49Å; L98-N102 VanDerWaalsContact O-N 3.11Å; L98-N102 PolarHBondContact O-ND2 2.81Å; R99-N102 PolarHBondContact O-N 3.27Å; C100-N102 VanDerWaalsContact C-N 3.31Å; C100-N102 PolarHBondContact O-N 3.47Å; N102-A105 PolarHBondContact O-N 3.1Å; N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 PolarHBondContact O-N 3.21Å; N102-Q117 PolarHBondContact ND2-NE2 3.46Å; N102-Q117 PolarHBondContact ND2-OE1 3.03Å; N102-Q117 PolarHBondContact OD1-NE2 2.98Å; N102-Q117 VanDerWaalsContact OD1-NE2 3.13Å; N102-A118 WeakPolarHBondContact OD1-CB 3.48Å; N102-A118 PolarHBondContact OD1-N 3.19Å
103M98.9Very high98.4Very high72 Ų7239.2 Ų39.236%0.35523%0.227SC..Hα-helixtrans-64.2-41.4179.6-71.4175.517800112.3R99 C100 L107 Y328 F331 L332R99-M103 VanDerWaalsContact O-CG 3.32Å; R99-M103 WeakPolarHBondContact O-CG 3.45Å; R99-M103 PolarHBondContact O-N 3.19Å; C100-M103 PolarHBondContact O-N 3.22Å; M103-L107 WeakPolarHBondContact O-CB 3.49Å; M103-L107 PolarHBondContact O-N 2.84Å; M103-Y328 HydrophobicContact CE-CD2 4.48Å; M103-Y328 HydrophobicContact CE-CE2 3.74Å; M103-Y328 HydrophobicContact SD-CD2 4.32Å; M103-Y328 HydrophobicContact SD-CE2 4.15Å; M103-F331 HydrophobicContact CB-CD2 4.31Å; M103-F331 HydrophobicContact CB-CE2 4.48Å; M103-F331 HydrophobicContact SD-CB 4.1Å; M103-F331 HydrophobicContact SD-CD2 3.9Å; M103-F331 HydrophobicContact SD-CG 4.43Å; M103-L332 HydrophobicContact CE-CD2 4.26Å
104V98.9Very high98.1Very high0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-70-40177.8176.90000110.8C100 V101 L107 W108 F249 W286 I288 F331C100-V104 WeakPolarHBondContact O-CG2 3.49Å; C100-V104 PolarHBondContact O-N 3.1Å; V101-V104 PolarHBondContact O-N 3.44Å; V104-L107 WeakPolarHBondContact O-CB 3.27Å; V104-L107 PolarHBondContact O-N 3.18Å; V104-W108 HydrophobicContact CG1-CD2 3.84Å; V104-W108 HydrophobicContact CG1-CE3 3.71Å; V104-W108 HydrophobicContact CG1-CH2 3.39Å; V104-W108 HydrophobicContact CG1-CZ2 3.5Å; V104-W108 VanDerWaalsContact CG1-CZ2 3.5Å; V104-W108 HydrophobicContact CG1-CZ3 3.51Å; V104-W108 PolarHBondContact O-N 2.96Å; V104-W108 VanDerWaalsContact O-N 3.14Å; V104-F249 HydrophobicContact CG2-CE1 4.3Å; V104-F249 HydrophobicContact CG2-CZ 4.2Å; V104-W286 HydrophobicContact CG1-CB 4.42Å; V104-W286 HydrophobicContact CG2-CD2 4.32Å; V104-W286 HydrophobicContact CG2-CG 4.32Å; V104-I288 HydrophobicContact CB-CD1 4.36Å; V104-I288 HydrophobicContact CB-CG1 4.35Å; V104-I288 HydrophobicContact CG1-CD1 4.3Å; V104-I288 HydrophobicContact CG1-CG1 3.82Å; V104-F331 HydrophobicContact CG2-CE2 3.87Å; V104-F331 HydrophobicContact CG2-CZ 3.7Å
105A98.9Very high98Very high4 Ų453 Ų533%0.03329%0.287CS..Hα-helixtrans-61.5-44.7174.700000112.2V101 N102 W108 H109 A110 A118 I288V101-A105 VanDerWaalsContact O-CB 3.28Å; V101-A105 WeakPolarHBondContact O-CB 3.21Å; V101-A105 PolarHBondContact O-N 2.97Å; N102-A105 PolarHBondContact O-N 3.1Å; A105-W108 CarbonylContact O-C 3.58Å; A105-W108 PolarHBondContact O-N 2.95Å; A105-H109 PolarHBondContact O-N 3.11Å; A105-A110 HydrophobicContact CB-CB 3.83Å; A105-A110 VanDerWaalsContact O-CB 3.28Å; A105-A110 WeakPolarHBondContact O-CB 3.34Å; A105-A110 PolarHBondContact O-N 3.09Å; A105-A118 HydrophobicContact CB-CB 3.42Å; A105-A118 VanDerWaalsContact CB-CB 3.42Å; A105-I288 HydrophobicContact CB-CD1 4.48Å; A105-I288 HydrophobicContact CB-CG2 3.8Å
106D98.8Very high97.9Very high102 Ų10254.2 Ų54.255%0.54530%0.303SS..Hα-helixtrans-59.3-45172.717475.3000111.8N102 W108 H109 R336N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 PolarHBondContact O-N 3.21Å; D106-W108 PolarHBondContact O-N 3.47Å; D106-H109 PolarHBondContact O-N 2.65Å; D106-H109 VanDerWaalsContact O-N 3.07Å; D106-R336 IonicContact OD2-CZ 3.9Å; D106-R336 IonicContact OD2-NH2 2.79Å; D106-R336 PolarHBondContact OD2-NH2 3.22Å
107L98.9Very high97.9Very high13 Ų1355.7 Ų55.77%0.06831%0.309CS..Hα-helixtrans-57.9-33.3179.3-171.764.5000112.5M103 V104 F249 P252 F253M103-L107 WeakPolarHBondContact O-CB 3.49Å; M103-L107 PolarHBondContact O-N 2.84Å; V104-L107 WeakPolarHBondContact O-CB 3.27Å; V104-L107 PolarHBondContact O-N 3.18Å; L107-F249 HydrophobicContact CD2-CD1 4.07Å; L107-F249 HydrophobicContact CD2-CE1 4.22Å; L107-P252 HydrophobicContact CD1-CB 3.53Å; L107-P252 HydrophobicContact CD1-CG 4.34Å; L107-P252 HydrophobicContact CD2-CB 4.29Å; L107-P252 HydrophobicContact CD2-CG 4.31Å; L107-P252 HydrophobicContact CG-CB 3.73Å; L107-P252 HydrophobicContact CG-CG 3.98Å; L107-F253 HydrophobicContact CD1-CE1 3.69Å; L107-F253 HydrophobicContact CD1-CZ 3.78Å; L107-F253 HydrophobicContact CD2-CE1 4.43Å; L107-F253 HydrophobicContact CD2-CE2 4.18Å; L107-F253 HydrophobicContact CD2-CZ 3.67Å; L107-F253 HydrophobicContact CG-CZ 4.37Å
108W98.9Very high97.8Very high0 Ų056 Ų560%031%0.313CS..THydrogen-bonded Turntrans-99.817.2-179.2-58.4-20.4000113.6V104 A105 D106 A110 G248 F249 W260 D261 F262 I270 A272 W286 I288V104-W108 HydrophobicContact CG1-CD2 3.84Å; V104-W108 HydrophobicContact CG1-CE3 3.71Å; V104-W108 HydrophobicContact CG1-CH2 3.39Å; V104-W108 HydrophobicContact CG1-CZ2 3.5Å; V104-W108 VanDerWaalsContact CG1-CZ2 3.5Å; V104-W108 HydrophobicContact CG1-CZ3 3.51Å; V104-W108 PolarHBondContact O-N 2.96Å; V104-W108 VanDerWaalsContact O-N 3.14Å; A105-W108 CarbonylContact O-C 3.58Å; A105-W108 PolarHBondContact O-N 2.95Å; D106-W108 PolarHBondContact O-N 3.47Å; W108-A110 PolarHBondContact O-N 2.95Å; W108-G248 PolarHBondContact NE1-O 3.34Å; W108-F249 HydrophobicContact CZ2-CZ 4.48Å; W108-W260 AromaticContact CD1-CH2 3.57Å; W108-W260 AromaticContact CD1-CZ2 3.7Å; W108-W260 HydrophobicContact CD2-CH2 4.28Å; W108-W260 AromaticContact CG-CH2 3.98Å; W108-W260 HydrophobicContact CG-CH2 3.98Å; W108-W260 HydrophobicContact CG-CZ2 4.42Å; W108-W260 AromaticContact NE1-CH2 3.65Å; W108-W260 AromaticContact NE1-CZ2 4Å; W108-D261 HydrophobicContact CB-CB 4.2Å; W108-D261 WeakPolarHBondContact O-CB 3.24Å; W108-F262 HydrophobicContact CB-CD2 3.97Å; W108-F262 HydrophobicContact CB-CE2 4.2Å; W108-F262 HydrophobicContact CE3-CE2 4.38Å; W108-F262 WeakPolarHBondContact O-CB 3.45Å; W108-F262 VanDerWaalsContact O-CD2 3.3Å; W108-F262 WeakPolarHBondContact O-CD2 3.45Å; W108-F262 PolarHBondContact O-N 2.85Å; W108-I270 HydrophobicContact CB-CD1 4.04Å; W108-I270 HydrophobicContact CD2-CB 4.41Å; W108-I270 HydrophobicContact CD2-CD1 4.43Å; W108-I270 HydrophobicContact CD2-CG2 3.96Å; W108-I270 HydrophobicContact CE3-CB 3.66Å; W108-I270 HydrophobicContact CE3-CD1 4.26Å; W108-I270 HydrophobicContact CE3-CG2 3.58Å; W108-I270 HydrophobicContact CG-CD1 4.37Å; W108-I270 HydrophobicContact CH2-CG2 3.93Å; W108-I270 HydrophobicContact CZ2-CG2 4.28Å; W108-I270 HydrophobicContact CZ3-CB 3.76Å; W108-I270 HydrophobicContact CZ3-CG2 3.55Å; W108-A272 HydrophobicContact CH2-CB 3.55Å; W108-A272 HydrophobicContact CZ2-CB 3.48Å; W108-A272 VanDerWaalsContact CZ2-CB 3.48Å; W108-W286 HydrophobicContact CH2-CB 4.45Å; W108-I288 HydrophobicContact CE3-CB 4.03Å; W108-I288 HydrophobicContact CE3-CG1 3.8Å; W108-I288 HydrophobicContact CZ3-CB 3.98Å; W108-I288 HydrophobicContact CZ3-CG1 3.57Å
109H98.9Very high97.8Very high87 Ų8753.1 Ų53.140%0.40330%0.298SS..THydrogen-bonded Turntrans56.633.8177.4-55.494.1000113.7A105 D106 D261 F262 R263A105-H109 PolarHBondContact O-N 3.11Å; D106-H109 PolarHBondContact O-N 2.65Å; D106-H109 VanDerWaalsContact O-N 3.07Å; H109-D261 IonicContact CE1-OD2 3.61Å; H109-D261 IonicContact CG-OD2 3.85Å; H109-D261 IonicContact ND1-OD1 3.58Å; H109-D261 IonicContact ND1-OD2 3.65Å; H109-D261 PolarHBondContact ND1-OD2 2.82Å; H109-F262 WeakPolarHBondContact O-CB 3.46Å; H109-R263 HydrophobicContact CB-CG 3.87Å; H109-R263 PolarHBondContact ND1-NE 2.85Å
110A98.6Very high97.8Very high19 Ų1949.4 Ų49.416%0.15729%0.291CS..PPolyproline II helixtrans-56.2140172.400000109.4A105 W108 A112 F262A105-A110 HydrophobicContact CB-CB 3.83Å; A105-A110 VanDerWaalsContact O-CB 3.28Å; A105-A110 WeakPolarHBondContact O-CB 3.34Å; A105-A110 PolarHBondContact O-N 3.09Å; W108-A110 PolarHBondContact O-N 2.95Å; A110-A112 PolarHBondContact O-N 3.02Å; A110-F262 HydrophobicContact CB-CD2 3.63Å; A110-F262 HydrophobicContact CB-CE2 4.01Å; A110-F262 HydrophobicContact CB-CG 4.36Å
111P98.4Very high97.8Very high59 Ų5950 Ų5038%0.38330%0.295SS..PPolyproline II helixtrans-49.5138.8171.5-27.134.4000111.3R290P111-R290 WeakPolarHBondContact CD-O 3.08Å; P111-R290 HydrophobicContact CG-CG 3.92Å
112A97.3Very high97.8Very high94 Ų9450 Ų5078%0.77730%0.295SS*.PPolyproline II helixtrans-55124.3-178.700000110.2A110 K114A110-A112 PolarHBondContact O-N 3.02Å; A112-K114 PolarHBondContact O-N 2.95Å
113P96.5Very high97.8Very high54 Ų5447.6 Ų47.635%0.35128%0.282SS..PPolyproline II helixtrans-68.3134.3-17324.9-33000111.4N115 G116 Q117P113-N115 PolarHBondContact O-N 3.16Å; P113-G116 PolarHBondContact O-N 3.38Å; P113-Q117 VanDerWaalsContact CB-C 3.42Å; P113-Q117 WeakPolarHBondContact CB-O 3.21Å
114K92.1Very high97.8Very high209 Ų20947.3 Ų47.391%0.90928%0.281SS*.THydrogen-bonded Turntrans-59.4-31.4-175.3-68.6179.4-178.4170.50113.7A112A112-K114 PolarHBondContact O-N 2.95Å
115N93.6Very high97.8Very high109 Ų10947.7 Ų47.758%0.58329%0.285SS*.THydrogen-bonded Turntrans-108.29.8-176.259.313000112.8P113 Q117P113-N115 PolarHBondContact O-N 3.16Å; N115-Q117 VanDerWaalsContact C-N 3.29Å; N115-Q117 PolarHBondContact O-N 3.24Å; N115-Q117 PolarHBondContact OD1-N 2.93Å; N115-Q117 PolarHBondContact OD1-O 3.1Å
116G96.4Very high97.7Very high55 Ų5548 Ų4857%0.56729%0.287SS*.SBendtrans80.1-0.8-177.200000115.5P113P113-G116 PolarHBondContact O-N 3.38Å
117Q97.7Very high97.7Very high54 Ų5445.9 Ų45.925%0.25228%0.28SS..SBendtrans-123.5122.9177.2-1765950.700110.7L98 N102 P113 N115L98-Q117 PolarHBondContact O-NE2 3.49Å; N102-Q117 PolarHBondContact ND2-NE2 3.46Å; N102-Q117 PolarHBondContact ND2-OE1 3.03Å; N102-Q117 PolarHBondContact OD1-NE2 2.98Å; N102-Q117 VanDerWaalsContact OD1-NE2 3.13Å; P113-Q117 VanDerWaalsContact CB-C 3.42Å; P113-Q117 WeakPolarHBondContact CB-O 3.21Å; N115-Q117 VanDerWaalsContact C-N 3.29Å; N115-Q117 PolarHBondContact O-N 3.24Å; N115-Q117 PolarHBondContact OD1-N 2.93Å; N115-Q117 PolarHBondContact OD1-O 3.1Å
118A98Very high97.7Very high14 Ų1445.9 Ų45.912%0.11628%0.28CS..  trans-69.2150.717700000111.8V101 N102 A105 G120V101-A118 HydrophobicContact CG1-CB 4.21Å; N102-A118 WeakPolarHBondContact OD1-CB 3.48Å; N102-A118 PolarHBondContact OD1-N 3.19Å; A105-A118 HydrophobicContact CB-CB 3.42Å; A105-A118 VanDerWaalsContact CB-CB 3.42Å; A118-G120 PolarHBondContact O-N 2.95Å
119V98.3Very high97.7Very high20 Ų2045.9 Ų45.912%0.12128%0.28CS..SBendtrans-86.3107.4179.4-173.10000108.9W289 E292 L295V119-W289 HydrophobicContact CB-CB 4.29Å; V119-W289 HydrophobicContact CG1-CB 3.99Å; V119-W289 HydrophobicContact CG1-CE3 4.09Å; V119-W289 PolarHBondContact O-N 3.02Å; V119-E292 HydrophobicContact CG2-CG 4.03Å; V119-L295 HydrophobicContact CG1-CB 4.07Å; V119-L295 HydrophobicContact CG1-CD2 3.84Å
120G98.4Very high97.7Very high22 Ų2241.8 Ų41.823%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-178.9170.9-175.300000112.3A118 V287A118-G120 PolarHBondContact O-N 2.95Å; G120-V287 CarbonylContact C-O 3.57Å; G120-V287 WeakPolarHBondContact CA-O 3.16Å
121T98.8Very high97.7Very high13 Ų1342 Ų428%0.0826%0.259CS..EExtended strand (participates in β ladder)trans-149.2153.4178.1-169.60000112.1T123 L132 V287 W289 F313T121-T123 HydrophobicContact CG2-CG2 4.18Å; T121-L132 HydrophobicContact CG2-CD1 3.92Å; T121-V287 HydrophobicContact CG2-CG1 3.56Å; T121-V287 PolarHBondContact N-O 3.15Å; T121-V287 PolarHBondContact O-N 2.95Å; T121-V287 VanDerWaalsContact O-N 3.12Å; T121-W289 HydrophobicContact CG2-CH2 4.21Å; T121-W289 HydrophobicContact CG2-CZ3 4.22Å; T121-F313 WeakPolarHBondContact CG2-O 3.46Å
122N98.8Very high97.8Very high0 Ų039.2 Ų39.20%024%0.241CC..EExtended strand (participates in β ladder)trans-76.2144.8163.3175.4-107.4000110.9D97 G285 W286 R319 V324D97-N122 WeakPolarHBondContact OD1-CB 3.46Å; N122-G285 WeakPolarHBondContact CA-O 3.46Å; N122-G285 PolarHBondContact ND2-O 3.26Å; N122-W286 HydrophobicContact CB-CE3 4.01Å; N122-W286 HydrophobicContact CB-CH2 3.79Å; N122-W286 HydrophobicContact CB-CZ3 3.52Å; N122-R319 PolarHBondContact O-NH2 2.89Å; N122-R319 VanDerWaalsContact OD1-CZ 3.25Å; N122-R319 PolarHBondContact OD1-NH1 3.49Å; N122-R319 PolarHBondContact OD1-NH2 3.21Å; N122-V324 HydrophobicContact CB-CG2 3.96Å; N122-V324 WeakPolarHBondContact OD1-CG2 3.33Å
123T98.9Very high97.8Very high0 Ų034.7 Ų34.70%020%0.204CC..EExtended strand (participates in β ladder)trans-131.4173.4175.2660000110.4T121 G125 E128 A129 L132 C284 G285 V287T121-T123 HydrophobicContact CG2-CG2 4.18Å; T123-G125 PolarHBondContact O-N 3.21Å; T123-G125 PolarHBondContact OG1-N 3.46Å; T123-G125 PolarHBondContact OG1-O 2.86Å; T123-E128 WeakPolarHBondContact CA-OE2 3.37Å; T123-E128 VanDerWaalsContact CB-OE2 3.27Å; T123-E128 WeakPolarHBondContact CB-OE2 3.29Å; T123-E128 HydrophobicContact CG2-CB 4.3Å; T123-E128 HydrophobicContact CG2-CG 3.8Å; T123-A129 HydrophobicContact CG2-CB 4.14Å; T123-L132 HydrophobicContact CG2-CD1 3.81Å; T123-C284 CarbonylContact O-C 3.57Å; T123-G285 PolarHBondContact N-O 3.03Å; T123-G285 PolarHBondContact O-N 2.93Å; T123-G285 VanDerWaalsContact OG1-CA 3.31Å; T123-G285 WeakPolarHBondContact OG1-CA 3.29Å; T123-G285 PolarHBondContact OG1-O 3.45Å; T123-V287 HydrophobicContact CG2-CG1 4.24Å
124I98.8Very high97.9Very high66 Ų6632.1 Ų32.134%0.33819%0.187SC..SBendtrans-68.2-23.6171.5-72.1-65.2000112E128 G283 C284I124-E128 PolarHBondContact N-OE2 2.86Å; I124-G283 CarbonylContact O-C 3.51Å; I124-G283 VanDerWaalsContact O-CA 3.29Å; I124-G283 WeakPolarHBondContact O-CA 3.39Å; I124-C284 CarbonylContact O-C 3.52Å; I124-C284 PolarHBondContact O-N 2.97Å; I124-C284 VanDerWaalsContact O-N 3.1Å
125G98.5Very high98.3Very high8 Ų823 Ų238%0.08215%0.148CC..SBendtrans172.4177.8-178.300000112.7T123 S127 E128 A129T123-G125 PolarHBondContact O-N 3.21Å; T123-G125 PolarHBondContact OG1-N 3.46Å; T123-G125 PolarHBondContact OG1-O 2.86Å; G125-S127 PolarHBondContact O-N 2.96Å; G125-S127 VanDerWaalsContact O-N 3.12Å; G125-E128 PolarHBondContact O-N 2.99Å; G125-E128 VanDerWaalsContact O-N 3.17Å; G125-A129 PolarHBondContact O-N 2.99Å
126S98.1Very high98.5Very high9 Ų917.8 Ų17.86%0.06312%0.12CC..Hα-helixtrans-57.4-29.4-179.3-63.70000113.3E128 A129 C130 A245 S273S126-E128 PolarHBondContact O-N 2.82Å; S126-A129 PolarHBondContact O-N 2.78Å; S126-C130 VanDerWaalsContact O-CB 3.28Å; S126-C130 WeakPolarHBondContact O-CB 3.47Å; S126-C130 PolarHBondContact O-N 3.33Å; S126-C130 PolarHBondContact O-SG 2.99Å; S126-A245 WeakPolarHBondContact OG-CB 3.35Å; S126-S273 WeakPolarHBondContact CB-OG 3.24Å; S126-S273 PolarHBondContact N-OG 3.12Å; S126-S273 PolarHBondContact OG-N 3.49Å; S126-S273 PolarHBondContact OG-OG 2.76Å
127S98.5Very high98.6Very high59 Ų5915.2 Ų15.241%0.4139%0.093SC..Hα-helixtrans-57.6-47.3176.8-60.60000113.1G125 M131G125-S127 PolarHBondContact O-N 2.96Å; G125-S127 VanDerWaalsContact O-N 3.12Å; S127-M131 VanDerWaalsContact O-CG 3.26Å; S127-M131 WeakPolarHBondContact O-CG 3.28Å; S127-M131 PolarHBondContact O-N 3.29Å
128E98.8Very high98.7Very high13 Ų1313.4 Ų13.46%0.0619%0.085CC..Hα-helixtrans-69.2-44.7175.5174.1177.5-154.400110.1T123 I124 G125 S126 C130 M131 L132 I315 N316T123-E128 WeakPolarHBondContact CA-OE2 3.37Å; T123-E128 VanDerWaalsContact CB-OE2 3.27Å; T123-E128 WeakPolarHBondContact CB-OE2 3.29Å; T123-E128 HydrophobicContact CG2-CB 4.3Å; T123-E128 HydrophobicContact CG2-CG 3.8Å; I124-E128 PolarHBondContact N-OE2 2.86Å; G125-E128 PolarHBondContact O-N 2.99Å; G125-E128 VanDerWaalsContact O-N 3.17Å; S126-E128 PolarHBondContact O-N 2.82Å; E128-C130 PolarHBondContact O-N 3.42Å; E128-M131 PolarHBondContact O-N 2.92Å; E128-M131 VanDerWaalsContact O-N 3.13Å; E128-L132 HydrophobicContact CG-CD1 4.18Å; E128-L132 HydrophobicContact CG-CG 4.35Å; E128-L132 WeakPolarHBondContact O-CG 3.32Å; E128-L132 PolarHBondContact O-N 3.49Å; E128-I315 HydrophobicContact CG-CB 4.19Å; E128-I315 HydrophobicContact CG-CG1 4.18Å; E128-I315 PolarHBondContact OE1-N 3.39Å; E128-N316 PolarHBondContact OE1-N 3.41Å; E128-N316 VanDerWaalsContact OE1-N 3.13Å; E128-N316 PolarHBondContact OE1-ND2 2.92Å; E128-N316 VanDerWaalsContact OE1-ND2 3.13Å; E128-N316 PolarHBondContact OE2-ND2 3.02Å
129A98.8Very high98.7Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-57.5-44.2179.700000113.1T123 G125 S126 L132 G133 V287T123-A129 HydrophobicContact CG2-CB 4.14Å; G125-A129 PolarHBondContact O-N 2.99Å; S126-A129 PolarHBondContact O-N 2.78Å; A129-L132 PolarHBondContact O-N 3.34Å; A129-G133 PolarHBondContact O-N 3.08Å; A129-V287 HydrophobicContact CB-CB 3.91Å; A129-V287 HydrophobicContact CB-CG1 4.35Å
130C98.8Very high98.8Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-64.4-41.7175.8-68.50000111.4S126 E128 G133 G134 W166 S271S126-C130 VanDerWaalsContact O-CB 3.28Å; S126-C130 WeakPolarHBondContact O-CB 3.47Å; S126-C130 PolarHBondContact O-N 3.33Å; S126-C130 PolarHBondContact O-SG 2.99Å; E128-C130 PolarHBondContact O-N 3.42Å; C130-G133 PolarHBondContact O-N 2.66Å; C130-G134 PolarHBondContact O-N 3.12Å; C130-W166 HydrophobicContact CB-CD2 4.38Å; C130-W166 HydrophobicContact CB-CH2 3.89Å; C130-W166 HydrophobicContact CB-CZ2 3.47Å; C130-W166 VanDerWaalsContact CB-CZ2 3.47Å; C130-W166 HydrophobicContact CB-CZ3 4.49Å; C130-W166 VanDerWaalsContact SG-CZ2 3.52Å; C130-S271 PolarHBondContact SG-OG 3.26Å; C130-S271 VanDerWaalsContact SG-OG 3.37Å
131M98.9Very high98.8Very high24 Ų2415.6 Ų15.612%0.1188%0.081CC..Hα-helixtrans-64.6-40.9176.8-70.2172.9-173.300111.8S127 E128 G134 M135 K168 F169 Y172 W173S127-M131 VanDerWaalsContact O-CG 3.26Å; S127-M131 WeakPolarHBondContact O-CG 3.28Å; S127-M131 PolarHBondContact O-N 3.29Å; E128-M131 PolarHBondContact O-N 2.92Å; E128-M131 VanDerWaalsContact O-N 3.13Å; M131-G134 PolarHBondContact O-N 3.08Å; M131-M135 WeakPolarHBondContact O-CB 3.35Å; M131-M135 WeakPolarHBondContact O-CG 3.16Å; M131-M135 PolarHBondContact O-N 3.39Å; M131-K168 HydrophobicContact CE-CB 3.83Å; M131-K168 HydrophobicContact CE-CD 4.41Å; M131-F169 HydrophobicContact CG-CB 4.4Å; M131-Y172 HydrophobicContact CE-CD2 4.41Å; M131-Y172 HydrophobicContact CE-CE2 4.38Å; M131-W173 HydrophobicContact CB-CH2 3.75Å; M131-W173 HydrophobicContact CB-CZ3 3.97Å; M131-W173 HydrophobicContact CE-CZ3 4.45Å; M131-W173 HydrophobicContact CG-CH2 3.81Å; M131-W173 HydrophobicContact CG-CZ3 3.61Å; M131-W173 HydrophobicContact SD-CH2 3.71Å; M131-W173 HydrophobicContact SD-CZ3 3.72Å
132L98.9Very high98.8Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-62.6-46.1173.4-63.1177.6000111.2T121 T123 E128 A129 G134 M135 A136 V287 W289 F313 I315T121-L132 HydrophobicContact CG2-CD1 3.92Å; T123-L132 HydrophobicContact CG2-CD1 3.81Å; E128-L132 HydrophobicContact CG-CD1 4.18Å; E128-L132 HydrophobicContact CG-CG 4.35Å; E128-L132 WeakPolarHBondContact O-CG 3.32Å; E128-L132 PolarHBondContact O-N 3.49Å; A129-L132 PolarHBondContact O-N 3.34Å; L132-G134 PolarHBondContact O-N 3.42Å; L132-M135 HydrophobicContact CD2-CE 3.71Å; L132-M135 PolarHBondContact O-N 2.99Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.88Å; L132-V287 HydrophobicContact CB-CG1 4.36Å; L132-V287 HydrophobicContact CD1-CG1 3.97Å; L132-W289 HydrophobicContact CB-CH2 4.4Å; L132-W289 HydrophobicContact CB-CZ2 4.21Å; L132-F313 HydrophobicContact CB-CD1 4.33Å; L132-F313 HydrophobicContact CB-CE1 3.74Å; L132-F313 HydrophobicContact CB-CZ 4.02Å; L132-F313 HydrophobicContact CD2-CD1 4.16Å; L132-F313 HydrophobicContact CD2-CD2 3.86Å; L132-F313 HydrophobicContact CD2-CE1 3.89Å; L132-F313 HydrophobicContact CD2-CE2 3.53Å; L132-F313 HydrophobicContact CD2-CG 4.16Å; L132-F313 HydrophobicContact CD2-CZ 3.56Å; L132-F313 HydrophobicContact CG-CE1 4.34Å; L132-F313 HydrophobicContact CG-CZ 4.38Å; L132-I315 HydrophobicContact CD2-CD1 4.36Å; L132-I315 HydrophobicContact CD2-CG1 4.13Å
133G98.9Very high98.8Very high0 Ų022 Ų220%011%0.106CC..Hα-helixtrans-59.8-44.1175.400000112.8A129 C130 A136 M137A129-G133 PolarHBondContact O-N 3.08Å; C130-G133 PolarHBondContact O-N 2.66Å; G133-A136 PolarHBondContact O-N 3.34Å; G133-M137 VanDerWaalsContact O-CB 3.32Å; G133-M137 WeakPolarHBondContact O-CB 3.38Å; G133-M137 PolarHBondContact O-N 2.93Å
134G98.8Very high98.8Very high0 Ų026.3 Ų26.30%012%0.122CC..Hα-helixtrans-65.9-40.9176.900000113C130 M131 L132 M137 K138 F169C130-G134 PolarHBondContact O-N 3.12Å; M131-G134 PolarHBondContact O-N 3.08Å; L132-G134 PolarHBondContact O-N 3.42Å; G134-M137 PolarHBondContact O-N 3.23Å; G134-K138 WeakPolarHBondContact O-CB 3.46Å; G134-K138 PolarHBondContact O-N 3Å; G134-F169 VanDerWaalsContact C-CZ 3.41Å; G134-F169 WeakPolarHBondContact O-CZ 3.38Å
135M98.9Very high98.8Very high16 Ų1623.3 Ų23.38%0.07911%0.107CC..Hα-helixtrans-62.5-47.2173.1-79.9-168.1-72.400111.6M131 L132 M137 K138 W139 W173 L299 F313 I315M131-M135 WeakPolarHBondContact O-CB 3.35Å; M131-M135 WeakPolarHBondContact O-CG 3.16Å; M131-M135 PolarHBondContact O-N 3.39Å; L132-M135 HydrophobicContact CD2-CE 3.71Å; L132-M135 PolarHBondContact O-N 2.99Å; M135-M137 VanDerWaalsContact C-N 3.31Å; M135-M137 PolarHBondContact O-N 3.47Å; M135-K138 PolarHBondContact O-N 3.18Å; M135-W139 PolarHBondContact O-N 3.25Å; M135-W173 HydrophobicContact CE-CZ2 3.92Å; M135-W173 HydrophobicContact CG-CD2 4.28Å; M135-W173 HydrophobicContact CG-CG 4.41Å; M135-W173 HydrophobicContact CG-CZ2 3.98Å; M135-W173 VanDerWaalsContact CG-NE1 3.25Å; M135-W173 VanDerWaalsContact SD-CE2 3.58Å; M135-W173 HydrophobicContact SD-CZ2 3.6Å; M135-W173 VanDerWaalsContact SD-CZ2 3.6Å; M135-W173 PolarHBondContact SD-NE1 3.32Å; M135-L299 HydrophobicContact CB-CD1 4.32Å; M135-F313 HydrophobicContact CB-CZ 4.1Å; M135-F313 HydrophobicContact CE-CE2 3.76Å; M135-F313 HydrophobicContact CE-CZ 3.78Å; M135-I315 HydrophobicContact CE-CD1 3.64Å
136A98.9Very high98.8Very high0 Ų028.1 Ų28.10%013%0.127CC..Hα-helixtrans-59.1-44.6176.900000111.2L132 G133 W139 R140 L295 L299L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.88Å; G133-A136 PolarHBondContact O-N 3.34Å; A136-W139 PolarHBondContact O-N 3.13Å; A136-R140 WeakPolarHBondContact O-CG 3.37Å; A136-R140 PolarHBondContact O-N 3.01Å; A136-L295 HydrophobicContact CB-CD1 4.4Å; A136-L299 HydrophobicContact CB-CD1 4.26Å
137M98.9Very high98.8Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..Hα-helixtrans-59.2-49.2174.9-178-174.9-76.700112.1G133 G134 M135 W139 R140 W141 L157 I203 G204 V206 H241G133-M137 VanDerWaalsContact O-CB 3.32Å; G133-M137 WeakPolarHBondContact O-CB 3.38Å; G133-M137 PolarHBondContact O-N 2.93Å; G134-M137 PolarHBondContact O-N 3.23Å; M135-M137 VanDerWaalsContact C-N 3.31Å; M135-M137 PolarHBondContact O-N 3.47Å; M137-W139 VanDerWaalsContact C-N 3.33Å; M137-W139 PolarHBondContact O-N 3.04Å; M137-R140 PolarHBondContact O-N 3.32Å; M137-W141 PolarHBondContact O-N 3.19Å; M137-L157 HydrophobicContact SD-CD2 3.5Å; M137-L157 VanDerWaalsContact SD-CD2 3.5Å; M137-I203 HydrophobicContact CG-CB 4.1Å; M137-I203 HydrophobicContact CG-CD1 4.16Å; M137-I203 HydrophobicContact CG-CG1 3.92Å; M137-I203 WeakPolarHBondContact CG-O 3.34Å; M137-I203 HydrophobicContact SD-CD1 4.13Å; M137-I203 HydrophobicContact SD-CG1 3.78Å; M137-G204 WeakPolarHBondContact SD-CA 3.25Å; M137-V206 HydrophobicContact CE-CG2 4.36Å; M137-H241 HydrophobicContact CE-CB 3.39Å
138K98.9Very high98.8Very high17 Ų1732.4 Ų32.47%0.07417%0.166CC..Hα-helixtrans-59.2-41.6176.9-176.5176.6179.6173.10112G134 M135 R142 W173 V175 I203G134-K138 WeakPolarHBondContact O-CB 3.46Å; G134-K138 PolarHBondContact O-N 3Å; M135-K138 PolarHBondContact O-N 3.18Å; K138-R142 WeakPolarHBondContact O-CB 3.33Å; K138-R142 PolarHBondContact O-N 2.88Å; K138-W173 PolarHBondContact NZ-O 3.15Å; K138-V175 HydrophobicContact CD-CG2 3.95Å; K138-I203 HydrophobicContact CB-CD1 3.93Å
139W98.9Very high98.8Very high64 Ų6435.2 Ų35.224%0.24220%0.199CC..Hα-helixtrans-68.4-43.1178.3-105.4-111.9000112.7M135 A136 M137 W141 R142 K143 P296 L299M135-W139 PolarHBondContact O-N 3.25Å; A136-W139 PolarHBondContact O-N 3.13Å; M137-W139 VanDerWaalsContact C-N 3.33Å; M137-W139 PolarHBondContact O-N 3.04Å; W139-W141 VanDerWaalsContact C-N 3.34Å; W139-W141 PolarHBondContact O-N 3.45Å; W139-R142 PolarHBondContact O-N 2.91Å; W139-K143 PolarHBondContact O-N 2.85Å; W139-P296 HydrophobicContact CB-CB 4.02Å; W139-P296 HydrophobicContact CB-CG 3.68Å; W139-P296 HydrophobicContact CG-CB 4.45Å; W139-L299 HydrophobicContact CB-CD1 4.15Å; W139-L299 HydrophobicContact CD2-CD1 4.28Å; W139-L299 HydrophobicContact CD2-CD2 3.71Å; W139-L299 HydrophobicContact CD2-CG 4.22Å; W139-L299 HydrophobicContact CE3-CD2 4.01Å; W139-L299 HydrophobicContact CG-CD1 4.12Å; W139-L299 HydrophobicContact CG-CD2 4.18Å; W139-L299 HydrophobicContact CG-CG 4.16Å; W139-L299 HydrophobicContact CH2-CD2 4.15Å; W139-L299 HydrophobicContact CZ2-CD2 3.88Å; W139-L299 HydrophobicContact CZ3-CD2 4.21Å
140R98.9Very high98.8Very high34 Ų3439.4 Ų39.413%0.12822%0.217CC..Hα-helixtrans-59.8-46.2175.7-70.9-164.9-49.5-80.8-6.6111.1A136 M137 R144 D239 A294 P296A136-R140 WeakPolarHBondContact O-CG 3.37Å; A136-R140 PolarHBondContact O-N 3.01Å; M137-R140 PolarHBondContact O-N 3.32Å; R140-R144 WeakPolarHBondContact O-CB 3.1Å; R140-R144 PolarHBondContact O-N 2.71Å; R140-R144 VanDerWaalsContact O-N 3.08Å; R140-D239 IonicContact CZ-OD2 3.16Å; R140-D239 IonicContact NE-OD2 2.63Å; R140-D239 PolarHBondContact NE-OD2 3.41Å; R140-D239 IonicContact NH2-OD2 3.95Å; R140-D239 PolarHBondContact NH2-OD2 3.07Å; R140-A294 PolarHBondContact NH1-O 2.94Å; R140-P296 HydrophobicContact CG-CG 3.83Å
141W98.9Very high98.8Very high4 Ų443.5 Ų43.52%0.01524%0.244CC..Hα-helixtrans-58.9-49.7174.216988.5000111.9M137 W139 K143 R144 M145 T152 P155 E200 N201 I203M137-W141 PolarHBondContact O-N 3.19Å; W139-W141 VanDerWaalsContact C-N 3.34Å; W139-W141 PolarHBondContact O-N 3.45Å; W141-K143 PolarHBondContact O-N 3.16Å; W141-R144 WeakPolarHBondContact O-CB 3.2Å; W141-R144 PolarHBondContact O-N 3.16Å; W141-R144 VanDerWaalsContact O-N 3.16Å; W141-M145 HydrophobicContact CD2-CG 4.12Å; W141-M145 HydrophobicContact CG-CG 4.31Å; W141-M145 HydrophobicContact CZ2-CG 4.05Å; W141-M145 WeakPolarHBondContact O-CG 3.44Å; W141-M145 PolarHBondContact O-N 3.37Å; W141-T152 VanDerWaalsContact CH2-CA 3.46Å; W141-T152 HydrophobicContact CH2-CG2 4.47Å; W141-T152 WeakPolarHBondContact CH2-O 3.26Å; W141-T152 HydrophobicContact CZ3-CG2 4.5Å; W141-T152 WeakPolarHBondContact CZ3-O 3.47Å; W141-P155 HydrophobicContact CE3-CB 4.17Å; W141-P155 HydrophobicContact CH2-CB 3.85Å; W141-P155 HydrophobicContact CH2-CG 4.43Å; W141-P155 HydrophobicContact CZ2-CB 4.45Å; W141-P155 HydrophobicContact CZ3-CB 3.72Å; W141-P155 HydrophobicContact CZ3-CG 4.25Å; W141-E200 PolarHBondContact NE1-O 3.41Å; W141-N201 HydrophobicContact CZ2-CB 4.18Å; W141-I203 HydrophobicContact CB-CB 3.93Å; W141-I203 HydrophobicContact CB-CG2 3.92Å; W141-I203 HydrophobicContact CD2-CG2 3.66Å; W141-I203 HydrophobicContact CE3-CG2 3.83Å; W141-I203 HydrophobicContact CG-CB 4.12Å; W141-I203 HydrophobicContact CG-CG2 3.68Å
142R98.8Very high98.8Very high63 Ų6344 Ų4424%0.23825%0.249CC..Hα-helixtrans-56.1-50.2-178.8178.9-175.9-68.8155.3-6.3111.2K138 W139 R144 M145 E146 T152K138-R142 WeakPolarHBondContact O-CB 3.33Å; K138-R142 PolarHBondContact O-N 2.88Å; W139-R142 PolarHBondContact O-N 2.91Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.09Å; R142-M145 PolarHBondContact O-N 3.21Å; R142-E146 WeakPolarHBondContact CD-OE1 3.47Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 VanDerWaalsContact CG-OE1 3.22Å; R142-E146 WeakPolarHBondContact CG-OE1 3.49Å; R142-E146 WeakPolarHBondContact O-CB 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.42Å; R142-E146 PolarHBondContact O-N 3.07Å; R142-T152 HydrophobicContact CG-CG2 4.23Å
143K98.7Very high98.7Very high85 Ų8549.5 Ų49.537%0.3728%0.278SS..Hα-helixtrans-59.5-43.3178.3-76.3-172.8171.1-172.60112.5W139 W141 M145 A147 E298W139-K143 PolarHBondContact O-N 2.85Å; W141-K143 PolarHBondContact O-N 3.16Å; K143-M145 VanDerWaalsContact C-N 3.34Å; K143-M145 PolarHBondContact O-N 3.37Å; K143-A147 VanDerWaalsContact O-CB 3.32Å; K143-A147 WeakPolarHBondContact O-CB 3.11Å; K143-A147 PolarHBondContact O-N 2.93Å; K143-E298 VanDerWaalsContact CE-CD 3.44Å; K143-E298 WeakPolarHBondContact CE-OE1 3.16Å; K143-E298 VanDerWaalsContact CE-OE2 3.23Å; K143-E298 WeakPolarHBondContact CE-OE2 3.49Å; K143-E298 IonicContact NZ-OE1 2.8Å; K143-E298 PolarHBondContact NZ-OE1 3Å; K143-E298 IonicContact NZ-OE2 3.23Å; K143-E298 PolarHBondContact NZ-OE2 3.48Å
144R98.6Very high98.7Very high89 Ų8956.2 Ų56.234%0.33631%0.307SS..Hα-helixtrans-60.5-44.3177.6-178.917764.5102.4-3.6111.3R140 W141 R142 A148 D237R140-R144 WeakPolarHBondContact O-CB 3.1Å; R140-R144 PolarHBondContact O-N 2.71Å; R140-R144 VanDerWaalsContact O-N 3.08Å; W141-R144 WeakPolarHBondContact O-CB 3.2Å; W141-R144 PolarHBondContact O-N 3.16Å; W141-R144 VanDerWaalsContact O-N 3.16Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.09Å; R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.03Å; R144-A148 VanDerWaalsContact O-N 3.12Å; R144-D237 VanDerWaalsContact CZ-O 3.28Å; R144-D237 PolarHBondContact NH1-O 3.07Å; R144-D237 PolarHBondContact NH2-O 3.08Å
145M98.7Very high98.8Very high4 Ų456.4 Ų56.42%0.0231%0.308CS..Hα-helixtrans-72.2-40.4-179.1-66.3-60.1-83.500112.5W141 R142 K143 A148 G149 K150 T152 E200W141-M145 HydrophobicContact CD2-CG 4.12Å; W141-M145 HydrophobicContact CG-CG 4.31Å; W141-M145 HydrophobicContact CZ2-CG 4.05Å; W141-M145 WeakPolarHBondContact O-CG 3.44Å; W141-M145 PolarHBondContact O-N 3.37Å; R142-M145 PolarHBondContact O-N 3.21Å; K143-M145 VanDerWaalsContact C-N 3.34Å; K143-M145 PolarHBondContact O-N 3.37Å; M145-A148 CarbonylContact O-C 3.55Å; M145-A148 PolarHBondContact O-N 3.18Å; M145-A148 VanDerWaalsContact O-N 3.14Å; M145-G149 PolarHBondContact O-N 3.16Å; M145-G149 VanDerWaalsContact O-N 3.1Å; M145-K150 HydrophobicContact CB-CB 4.43Å; M145-K150 HydrophobicContact CE-CB 3.67Å; M145-K150 HydrophobicContact CE-CD 3.52Å; M145-K150 HydrophobicContact CE-CG 4.24Å; M145-K150 PolarHBondContact O-N 2.69Å; M145-K150 HydrophobicContact SD-CB 4.44Å; M145-K150 HydrophobicContact SD-CD 4.1Å; M145-T152 HydrophobicContact CB-CG2 3.61Å; M145-E200 HydrophobicContact CE-CB 4.16Å; M145-E200 HydrophobicContact CE-CG 4.11Å; M145-E200 WeakPolarHBondContact CE-O 3.25Å
146E98.7Very high98.8Very high108 Ų10855.7 Ų55.751%0.50531%0.305SS..Hα-helixtrans-60.2-46173.4-76.2169.1179.400111.5R142 A148 G149 T152R142-E146 WeakPolarHBondContact CD-OE1 3.47Å; R142-E146 HydrophobicContact CG-CG 4.33Å; R142-E146 VanDerWaalsContact CG-OE1 3.22Å; R142-E146 WeakPolarHBondContact CG-OE1 3.49Å; R142-E146 WeakPolarHBondContact O-CB 3.38Å; R142-E146 WeakPolarHBondContact O-CG 3.42Å; R142-E146 PolarHBondContact O-N 3.07Å; E146-A148 PolarHBondContact O-N 3.11Å; E146-G149 PolarHBondContact O-N 3.07Å; E146-T152 HydrophobicContact CG-CG2 3.89Å
147A98.6Very high98.8Very high93 Ų9355.7 Ų55.777%0.76931%0.305SS*.Hα-helixtrans-63.2-28.5175.700000112.8K143 G149K143-A147 VanDerWaalsContact O-CB 3.32Å; K143-A147 WeakPolarHBondContact O-CB 3.11Å; K143-A147 PolarHBondContact O-N 2.93Å; A147-G149 VanDerWaalsContact C-N 3.32Å
148A98.4Very high98.8Very high65 Ų6555.6 Ų55.654%0.53730%0.304SS..THydrogen-bonded Turntrans-850.9173.900000113.8R144 M145 E146 K150R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.03Å; R144-A148 VanDerWaalsContact O-N 3.12Å; M145-A148 CarbonylContact O-C 3.55Å; M145-A148 PolarHBondContact O-N 3.18Å; M145-A148 VanDerWaalsContact O-N 3.14Å; E146-A148 PolarHBondContact O-N 3.11Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 HydrophobicContact CB-CG 4.35Å; A148-K150 PolarHBondContact O-N 3.13Å
149G98.6Very high98.8Very high72 Ų7254.8 Ų54.874%0.74230%0.301SS*.THydrogen-bonded Turntrans68.326.4-179.200000114.4M145 E146 A147M145-G149 PolarHBondContact O-N 3.16Å; M145-G149 VanDerWaalsContact O-N 3.1Å; E146-G149 PolarHBondContact O-N 3.07Å; A147-G149 VanDerWaalsContact C-N 3.32Å
150K98.7Very high98.8Very high88 Ų8851.8 Ų51.838%0.38329%0.289SS..  trans-104.1154.5-178-65.8-172.1178.6-177.30112.4M145 A148 E200M145-K150 HydrophobicContact CB-CB 4.43Å; M145-K150 HydrophobicContact CE-CB 3.67Å; M145-K150 HydrophobicContact CE-CD 3.52Å; M145-K150 HydrophobicContact CE-CG 4.24Å; M145-K150 PolarHBondContact O-N 2.69Å; M145-K150 HydrophobicContact SD-CB 4.44Å; M145-K150 HydrophobicContact SD-CD 4.1Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 HydrophobicContact CB-CG 4.35Å; A148-K150 PolarHBondContact O-N 3.13Å; K150-E200 WeakPolarHBondContact CD-OE2 3.39Å; K150-E200 WeakPolarHBondContact CE-OE2 3.47Å; K150-E200 IonicContact NZ-OE2 2.79Å; K150-E200 PolarHBondContact NZ-OE2 3.09Å
151P98.6Very high98.7Very high86 Ų8650.2 Ų50.256%0.55828%0.284SS*.  trans-59.1150.6172.9-21.733.4000112.9D153P151-D153 WeakPolarHBondContact CB-OD1 3.44Å
152T98.8Very high98.7Very high36 Ų3650 Ų5022%0.22128%0.283CS..  trans-129.517.1-177.161.90000114.2W141 R142 M145 E146W141-T152 VanDerWaalsContact CH2-CA 3.46Å; W141-T152 HydrophobicContact CH2-CG2 4.47Å; W141-T152 WeakPolarHBondContact CH2-O 3.26Å; W141-T152 HydrophobicContact CZ3-CG2 4.5Å; W141-T152 WeakPolarHBondContact CZ3-O 3.47Å; R142-T152 HydrophobicContact CG-CG2 4.23Å; M145-T152 HydrophobicContact CB-CG2 3.61Å; E146-T152 HydrophobicContact CG-CG2 3.89Å
153D98.6Very high98.7Very high115 Ų11547.9 Ų47.962%0.61528%0.276SS*.SBendtrans-89.5-11.3-173.163.2-56.3000114.5P151 P155P151-D153 WeakPolarHBondContact CB-OD1 3.44Å; D153-P155 WeakPolarHBondContact O-CD 3.15Å
154K98.8Very high98.7Very high140 Ų14047 Ų4761%0.60927%0.274SS*.  trans-124.752.2-176.4-63.5-175.5-179.6175.80114.6N201K154-N201 VanDerWaalsContact O-CB 3.27Å; K154-N201 WeakPolarHBondContact O-CB 3.32Å
155P98.9Very high98.7Very high5 Ų542.9 Ų42.93%0.03226%0.259CS..  trans-61.8140176.527.7-33.9000111.4W141 D153 D174 V175 E176 N201 I203W141-P155 HydrophobicContact CE3-CB 4.17Å; W141-P155 HydrophobicContact CH2-CB 3.85Å; W141-P155 HydrophobicContact CH2-CG 4.43Å; W141-P155 HydrophobicContact CZ2-CB 4.45Å; W141-P155 HydrophobicContact CZ3-CB 3.72Å; W141-P155 HydrophobicContact CZ3-CG 4.25Å; D153-P155 WeakPolarHBondContact O-CD 3.15Å; P155-D174 WeakPolarHBondContact CG-O 3.47Å; P155-V175 HydrophobicContact CB-CG1 4.38Å; P155-V175 HydrophobicContact CB-CG2 4.37Å; P155-V175 HydrophobicContact CG-CG2 4.12Å; P155-E176 PolarHBondContact O-N 3.1Å; P155-N201 WeakPolarHBondContact CA-O 3.44Å; P155-I203 HydrophobicContact CB-CG2 3.41Å; P155-I203 VanDerWaalsContact CB-CG2 3.41Å
156N99Very high98.7Very high0 Ų042.7 Ų42.70%026%0.258CS..EExtended strand (participates in β ladder)trans-123.8156168.268.479.9000112.2E176 R178 D199 N201 T202 I203N156-E176 CarbonylContact C-O 3.57Å; N156-E176 WeakPolarHBondContact CA-O 3.41Å; N156-E176 HydrophobicContact CB-CB 3.88Å; N156-E176 HydrophobicContact CB-CG 4.38Å; N156-E176 WeakPolarHBondContact CB-O 3.28Å; N156-R178 HydrophobicContact CB-CG 4.27Å; N156-D199 PolarHBondContact ND2-OD1 2.9Å; N156-N201 PolarHBondContact N-O 3.03Å; N156-N201 VanDerWaalsContact ND2-C 3.3Å; N156-N201 PolarHBondContact ND2-O 3.2Å; N156-T202 PolarHBondContact ND2-N 3.45Å; N156-T202 CarbonylContact O-C 3.54Å; N156-T202 WeakPolarHBondContact O-CA 3.02Å; N156-T202 WeakPolarHBondContact OD1-CA 3.45Å; N156-T202 WeakPolarHBondContact OD1-CB 3.37Å; N156-T202 PolarHBondContact OD1-OG1 3.45Å; N156-I203 WeakPolarHBondContact O-CG1 3.23Å; N156-I203 PolarHBondContact O-N 3.01Å
157L99Very high98.7Very high0 Ų040.5 Ų40.50%025%0.248CC..EExtended strand (participates in β ladder)trans-123.7122.9177.3-173.2-52.7000108.1M137 C159 V175 E176 L177 R178 I203 V206M137-L157 HydrophobicContact SD-CD2 3.5Å; M137-L157 VanDerWaalsContact SD-CD2 3.5Å; L157-C159 HydrophobicContact CD1-CB 3.72Å; L157-V175 HydrophobicContact CB-CG1 3.85Å; L157-E176 PolarHBondContact N-O 3.5Å; L157-L177 HydrophobicContact CB-CD1 4.35Å; L157-L177 HydrophobicContact CD1-CD1 4.32Å; L157-L177 HydrophobicContact CG-CD1 4.5Å; L157-R178 PolarHBondContact O-N 3.09Å; L157-I203 HydrophobicContact CB-CG1 4.41Å; L157-I203 HydrophobicContact CD2-CD1 4.02Å; L157-I203 HydrophobicContact CD2-CG1 3.78Å; L157-V206 HydrophobicContact CD1-CB 4.08Å; L157-V206 HydrophobicContact CD1-CG2 3.72Å; L157-V206 HydrophobicContact CD2-CG2 3.83Å; L157-V206 HydrophobicContact CG-CG2 4.28Å
158V99Very high98.7Very high0 Ų040.4 Ų40.40%023%0.23CC..EExtended strand (participates in β ladder)trans-96126.9176.7176.80000110.2R178 I180 M189 M194 A197 T202 G204 V205 V206V158-R178 HydrophobicContact CG2-CB 4.12Å; V158-I180 HydrophobicContact CG1-CD1 4.39Å; V158-I180 HydrophobicContact CG1-CG1 4.43Å; V158-M189 HydrophobicContact CG1-SD 4.06Å; V158-M194 HydrophobicContact CG1-CG 3.98Å; V158-A197 HydrophobicContact CG1-CB 4.05Å; V158-A197 HydrophobicContact CG2-CB 3.93Å; V158-A197 WeakPolarHBondContact CG2-O 3.24Å; V158-T202 HydrophobicContact CB-CG2 4.37Å; V158-T202 HydrophobicContact CG2-CG2 3.86Å; V158-G204 PolarHBondContact N-O 3.29Å; V158-V205 HydrophobicContact CB-CG2 4.24Å; V158-V205 CarbonylContact O-C 3.53Å; V158-V205 VanDerWaalsContact O-CA 3.28Å; V158-V205 WeakPolarHBondContact O-CA 3.45Å; V158-V206 PolarHBondContact O-N 3.18Å
159C98.9Very high98.7Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-152165.7-177.965.60000112.8L157 V162 R178 I180 V206L157-C159 HydrophobicContact CD1-CB 3.72Å; C159-V162 HydrophobicContact CB-CG1 3.52Å; C159-V162 VanDerWaalsContact SG-CG1 3.56Å; C159-R178 PolarHBondContact N-O 3.15Å; C159-I180 WeakPolarHBondContact O-CG1 3.35Å; C159-I180 PolarHBondContact O-N 3.12Å; C159-V206 HydrophobicContact CB-CB 4.08Å; C159-V206 WeakPolarHBondContact CB-O 3.32Å
160G98.7Very high98.7Very high0 Ų034.4 Ų34.40%017%0.173CC..SBendtrans-84.4-153.3169.900000113.3V162 E179G160-V162 PolarHBondContact O-N 2.97Å; G160-E179 VanDerWaalsContact O-CG 3.32Å; G160-E179 WeakPolarHBondContact O-CG 3.37Å
161P98.6Very high98.7Very high1 Ų139.7 Ų39.71%0.00619%0.191CC..SBendtrans-7276.5179.333.2-37000111.5M182 F188 V211 Y213 E218P161-M182 HydrophobicContact CB-CE 3.75Å; P161-M182 HydrophobicContact CB-CG 3.79Å; P161-M182 HydrophobicContact CB-SD 3.76Å; P161-M182 HydrophobicContact CG-CG 4.28Å; P161-M182 HydrophobicContact CG-SD 4.36Å; P161-F188 HydrophobicContact CG-CD1 4.32Å; P161-V211 HydrophobicContact CB-CG1 4.35Å; P161-V211 HydrophobicContact CG-CG1 3.72Å; P161-V211 HydrophobicContact CG-CG2 4.13Å; P161-Y213 HydrophobicContact CB-CD2 4.07Å; P161-Y213 HydrophobicContact CB-CE2 4.24Å; P161-Y213 WeakPolarHBondContact O-CE2 3.48Å; P161-E218 VanDerWaalsContact CD-OE1 3.24Å; P161-E218 WeakPolarHBondContact CD-OE1 3.3Å
162V98.5Very high98.7Very high0 Ų042.6 Ų42.60%019%0.192CC..  trans-71.2160.6-172.4-76.30000113C159 G160 W166 Y213C159-V162 HydrophobicContact CB-CG1 3.52Å; C159-V162 VanDerWaalsContact SG-CG1 3.56Å; G160-V162 PolarHBondContact O-N 2.97Å; V162-W166 HydrophobicContact CB-CB 3.86Å; V162-W166 HydrophobicContact CB-CG 4.04Å; V162-W166 HydrophobicContact CG1-CB 4.2Å; V162-W166 HydrophobicContact CG1-CG 4.05Å; V162-W166 HydrophobicContact CG2-CB 3.81Å; V162-Y213 WeakPolarHBondContact O-CE2 3.49Å; V162-Y213 PolarHBondContact O-OH 3.17Å
163Q97.9Very high98.7Very high19 Ų1943.3 Ų43.39%0.08919%0.19CC..  trans-71.2155.8168.1-154.2-87.5-1.900110.5C165 W166 T212 H465Q163-C165 PolarHBondContact O-N 2.87Å; Q163-C165 PolarHBondContact OE1-SG 3.18Å; Q163-C165 VanDerWaalsContact OE1-SG 3.37Å; Q163-W166 PolarHBondContact O-N 2.71Å; Q163-T212 HydrophobicContact CG-CG2 4.44Å; Q163-H465 PolarHBondContact NE2-O 3.21Å
164I98.2Very high98.7Very high65 Ų6544.1 Ų44.133%0.33320%0.195SC..Hα-helixtrans-54.1-22.2-176.4-160.665.9000114.5W166 H167 K168I164-W166 VanDerWaalsContact C-N 3.28Å; I164-W166 PolarHBondContact O-N 3.26Å; I164-H167 HydrophobicContact CD1-CB 4.23Å; I164-H167 PolarHBondContact O-N 3.33Å; I164-K168 PolarHBondContact O-N 2.67Å; I164-K168 VanDerWaalsContact O-N 3.08Å
165C98.4Very high98.7Very high3 Ų337.9 Ų37.92%0.0217%0.168CC..Hα-helixtrans-61.6-32.4176.8650000112.9Q163 K168 F169Q163-C165 PolarHBondContact O-N 2.87Å; Q163-C165 PolarHBondContact OE1-SG 3.18Å; Q163-C165 VanDerWaalsContact OE1-SG 3.37Å; C165-K168 WeakPolarHBondContact O-CB 3.39Å; C165-K168 PolarHBondContact O-N 3.12Å; C165-F169 PolarHBondContact O-N 2.94Å
166W98.9Very high98.7Very high0 Ų042.4 Ų42.40%019%0.189CC..Hα-helixtrans-74.7-34.2177.3-70.7105.1000112.4C130 V162 Q163 I164 K168 F169 A170 V206 H241 D243C130-W166 HydrophobicContact CB-CD2 4.38Å; C130-W166 HydrophobicContact CB-CH2 3.89Å; C130-W166 HydrophobicContact CB-CZ2 3.47Å; C130-W166 VanDerWaalsContact CB-CZ2 3.47Å; C130-W166 HydrophobicContact CB-CZ3 4.49Å; C130-W166 VanDerWaalsContact SG-CZ2 3.52Å; V162-W166 HydrophobicContact CB-CB 3.86Å; V162-W166 HydrophobicContact CB-CG 4.04Å; V162-W166 HydrophobicContact CG1-CB 4.2Å; V162-W166 HydrophobicContact CG1-CG 4.05Å; V162-W166 HydrophobicContact CG2-CB 3.81Å; Q163-W166 PolarHBondContact O-N 2.71Å; I164-W166 VanDerWaalsContact C-N 3.28Å; I164-W166 PolarHBondContact O-N 3.26Å; W166-K168 VanDerWaalsContact C-N 3.32Å; W166-K168 PolarHBondContact O-N 3.45Å; W166-F169 HydrophobicContact CE3-CB 4.39Å; W166-F169 AromaticContact CE3-CD1 3.97Å; W166-F169 HydrophobicContact CE3-CD1 3.97Å; W166-F169 HydrophobicContact CE3-CG 4.33Å; W166-F169 HydrophobicContact CZ3-CD1 4.18Å; W166-F169 HydrophobicContact CZ3-CG 4.49Å; W166-F169 PolarHBondContact O-N 3.27Å; W166-A170 WeakPolarHBondContact O-CB 3.44Å; W166-A170 PolarHBondContact O-N 2.84Å; W166-V206 HydrophobicContact CD2-CG1 4.23Å; W166-V206 HydrophobicContact CE3-CG2 4.34Å; W166-V206 HydrophobicContact CH2-CG1 4.19Å; W166-V206 HydrophobicContact CH2-CG2 3.84Å; W166-V206 HydrophobicContact CZ2-CG1 3.59Å; W166-V206 HydrophobicContact CZ2-CG2 4.12Å; W166-V206 HydrophobicContact CZ3-CG2 3.96Å; W166-H241 AromaticContact CH2-CD2 3.55Å; W166-H241 AromaticContact CH2-NE2 3.94Å; W166-H241 AromaticContact CZ2-CD2 3.45Å; W166-H241 VanDerWaalsContact CZ2-CD2 3.45Å; W166-H241 WeakPolarHBondContact CZ2-CD2 3.25Å; W166-H241 AromaticContact CZ2-NE2 3.72Å; W166-D243 HydrophobicContact CZ2-CB 4.39Å; W166-D243 PolarHBondContact NE1-OD2 3.46Å
167H98.8Very high98.7Very high62 Ų6244.5 Ų44.529%0.28720%0.2SC..Hα-helixtrans-62.9-40.2168.6-64.8-92000111.8I164 R171 L177 E179I164-H167 HydrophobicContact CD1-CB 4.23Å; I164-H167 PolarHBondContact O-N 3.33Å; H167-R171 WeakPolarHBondContact O-CB 3.5Å; H167-R171 PolarHBondContact O-N 2.87Å; H167-R171 VanDerWaalsContact O-N 3.08Å; H167-L177 WeakPolarHBondContact ND1-CD2 3.32Å; H167-E179 IonicContact CE1-OE2 3.65Å; H167-E179 PolarHBondContact CE1-OE2 3.49Å; H167-E179 IonicContact NE2-OE1 3.34Å; H167-E179 IonicContact NE2-OE2 2.7Å
168K98.8Very high98.7Very high92 Ų9247.3 Ų47.340%0.421%0.211SC..Hα-helixtrans-63.3-45.7173.7-69.7-178.6-179.8-174.70111.2M131 I164 C165 W166 R171 Y172M131-K168 HydrophobicContact CE-CB 3.83Å; M131-K168 HydrophobicContact CE-CD 4.41Å; I164-K168 PolarHBondContact O-N 2.67Å; I164-K168 VanDerWaalsContact O-N 3.08Å; C165-K168 WeakPolarHBondContact O-CB 3.39Å; C165-K168 PolarHBondContact O-N 3.12Å; W166-K168 VanDerWaalsContact C-N 3.32Å; W166-K168 PolarHBondContact O-N 3.45Å; K168-R171 PolarHBondContact O-N 3.29Å; K168-Y172 HydrophobicContact CB-CD2 4.26Å; K168-Y172 HydrophobicContact CB-CE2 3.85Å; K168-Y172 HydrophobicContact CD-CE2 4.46Å; K168-Y172 HydrophobicContact CG-CE2 4.35Å; K168-Y172 WeakPolarHBondContact O-CB 3.45Å; K168-Y172 WeakPolarHBondContact O-CD2 3.4Å; K168-Y172 PolarHBondContact O-N 3.12Å
169F98.9Very high98.7Very high0 Ų050.5 Ų50.50%023%0.225CC..Hα-helixtrans-55.7-54.2175.9166.9-101.3000111.2M131 G134 C165 W166 R171 Y172 W173 V175 I203M131-F169 HydrophobicContact CG-CB 4.4Å; G134-F169 VanDerWaalsContact C-CZ 3.41Å; G134-F169 WeakPolarHBondContact O-CZ 3.38Å; C165-F169 PolarHBondContact O-N 2.94Å; W166-F169 HydrophobicContact CE3-CB 4.39Å; W166-F169 AromaticContact CE3-CD1 3.97Å; W166-F169 HydrophobicContact CE3-CD1 3.97Å; W166-F169 HydrophobicContact CE3-CG 4.33Å; W166-F169 HydrophobicContact CZ3-CD1 4.18Å; W166-F169 HydrophobicContact CZ3-CG 4.49Å; W166-F169 PolarHBondContact O-N 3.27Å; F169-R171 PolarHBondContact O-N 3.49Å; F169-Y172 PolarHBondContact O-N 3.38Å; F169-W173 HydrophobicContact CB-CE3 4.4Å; F169-W173 HydrophobicContact CD2-CB 4.37Å; F169-W173 AromaticContact CD2-CD2 3.94Å; F169-W173 HydrophobicContact CD2-CD2 3.94Å; F169-W173 AromaticContact CD2-CE3 3.52Å; F169-W173 HydrophobicContact CD2-CE3 3.52Å; F169-W173 HydrophobicContact CD2-CG 4.32Å; F169-W173 HydrophobicContact CD2-CZ3 4.12Å; F169-W173 HydrophobicContact CE2-CB 4.03Å; F169-W173 HydrophobicContact CE2-CD2 4.1Å; F169-W173 HydrophobicContact CE2-CE3 4.15Å; F169-W173 HydrophobicContact CE2-CG 4.06Å; F169-W173 HydrophobicContact CG-CE3 4.3Å; F169-W173 HydrophobicContact CZ-CB 4.49Å; F169-W173 PolarHBondContact O-N 3.19Å; F169-V175 HydrophobicContact CE1-CB 4.36Å; F169-V175 HydrophobicContact CE1-CG2 4.11Å; F169-V175 HydrophobicContact CZ-CG2 4.12Å; F169-I203 HydrophobicContact CE1-CD1 4.2Å; F169-I203 HydrophobicContact CZ-CD1 4.14Å
170A98.9Very high98.7Very high10 Ų1051 Ų518%0.08323%0.228CC..Hα-helixtrans-54.2-43.5179.500000112.2W166 D174 V175 L177W166-A170 WeakPolarHBondContact O-CB 3.44Å; W166-A170 PolarHBondContact O-N 2.84Å; A170-D174 PolarHBondContact O-N 3Å; A170-V175 WeakPolarHBondContact CB-O 3.5Å; A170-V175 PolarHBondContact O-N 3.34Å; A170-L177 HydrophobicContact CB-CB 3.8Å; A170-L177 HydrophobicContact CB-CD1 4.27Å; A170-L177 HydrophobicContact CB-CG 4.43Å
171R98.7Very high98.7Very high199 Ų19953.2 Ų53.275%0.75124%0.242SC*.Hα-helixtrans-69.4-46.3179.8-172.76564176.42113.5H167 K168 F169H167-R171 WeakPolarHBondContact O-CB 3.5Å; H167-R171 PolarHBondContact O-N 2.87Å; H167-R171 VanDerWaalsContact O-N 3.08Å; K168-R171 PolarHBondContact O-N 3.29Å; F169-R171 PolarHBondContact O-N 3.49Å
172Y98.8Very high98.7Very high148 Ų14853.5 Ų53.558%0.5824%0.244SC*.Hα-helixtrans-77.3-24.6-173.8-61.4-23.1000113M131 K168 F169M131-Y172 HydrophobicContact CE-CD2 4.41Å; M131-Y172 HydrophobicContact CE-CE2 4.38Å; K168-Y172 HydrophobicContact CB-CD2 4.26Å; K168-Y172 HydrophobicContact CB-CE2 3.85Å; K168-Y172 HydrophobicContact CD-CE2 4.46Å; K168-Y172 HydrophobicContact CG-CE2 4.35Å; K168-Y172 WeakPolarHBondContact O-CB 3.45Å; K168-Y172 WeakPolarHBondContact O-CD2 3.4Å; K168-Y172 PolarHBondContact O-N 3.12Å; F169-Y172 PolarHBondContact O-N 3.38Å
173W98.9Very high98.7Very high50 Ų5057.5 Ų57.519%0.18926%0.259CS..THydrogen-bonded Turntrans-110.618.6-179.1-77.4-87.9000113.3M131 M135 K138 F169 V175 I315M131-W173 HydrophobicContact CB-CH2 3.75Å; M131-W173 HydrophobicContact CB-CZ3 3.97Å; M131-W173 HydrophobicContact CE-CZ3 4.45Å; M131-W173 HydrophobicContact CG-CH2 3.81Å; M131-W173 HydrophobicContact CG-CZ3 3.61Å; M131-W173 HydrophobicContact SD-CH2 3.71Å; M131-W173 HydrophobicContact SD-CZ3 3.72Å; M135-W173 HydrophobicContact CE-CZ2 3.92Å; M135-W173 HydrophobicContact CG-CD2 4.28Å; M135-W173 HydrophobicContact CG-CG 4.41Å; M135-W173 HydrophobicContact CG-CZ2 3.98Å; M135-W173 VanDerWaalsContact CG-NE1 3.25Å; M135-W173 VanDerWaalsContact SD-CE2 3.58Å; M135-W173 HydrophobicContact SD-CZ2 3.6Å; M135-W173 VanDerWaalsContact SD-CZ2 3.6Å; M135-W173 PolarHBondContact SD-NE1 3.32Å; K138-W173 PolarHBondContact NZ-O 3.15Å; F169-W173 HydrophobicContact CB-CE3 4.4Å; F169-W173 HydrophobicContact CD2-CB 4.37Å; F169-W173 AromaticContact CD2-CD2 3.94Å; F169-W173 HydrophobicContact CD2-CD2 3.94Å; F169-W173 AromaticContact CD2-CE3 3.52Å; F169-W173 HydrophobicContact CD2-CE3 3.52Å; F169-W173 HydrophobicContact CD2-CG 4.32Å; F169-W173 HydrophobicContact CD2-CZ3 4.12Å; F169-W173 HydrophobicContact CE2-CB 4.03Å; F169-W173 HydrophobicContact CE2-CD2 4.1Å; F169-W173 HydrophobicContact CE2-CE3 4.15Å; F169-W173 HydrophobicContact CE2-CG 4.06Å; F169-W173 HydrophobicContact CG-CE3 4.3Å; F169-W173 HydrophobicContact CZ-CB 4.49Å; F169-W173 PolarHBondContact O-N 3.19Å; W173-V175 HydrophobicContact CB-CG2 4.4Å; W173-V175 WeakPolarHBondContact O-CG2 3.36Å; W173-V175 PolarHBondContact O-N 3.47Å; W173-I315 HydrophobicContact CZ2-CD1 4.38Å
174D98.8Very high98.6Very high133 Ų13360.7 Ų60.771%0.71128%0.281SS*.THydrogen-bonded Turntrans47.855.3176.8-57-54.6000112.6P155 A170P155-D174 WeakPolarHBondContact CG-O 3.47Å; A170-D174 PolarHBondContact O-N 3Å
175V98.9Very high98.5Very high9 Ų961.5 Ų61.56%0.05531%0.306CS..  trans-117.8129.7174.7-178.20000108K138 P155 L157 F169 A170 W173 L177 I203K138-V175 HydrophobicContact CD-CG2 3.95Å; P155-V175 HydrophobicContact CB-CG1 4.38Å; P155-V175 HydrophobicContact CB-CG2 4.37Å; P155-V175 HydrophobicContact CG-CG2 4.12Å; L157-V175 HydrophobicContact CB-CG1 3.85Å; F169-V175 HydrophobicContact CE1-CB 4.36Å; F169-V175 HydrophobicContact CE1-CG2 4.11Å; F169-V175 HydrophobicContact CZ-CG2 4.12Å; A170-V175 WeakPolarHBondContact CB-O 3.5Å; A170-V175 PolarHBondContact O-N 3.34Å; W173-V175 HydrophobicContact CB-CG2 4.4Å; W173-V175 WeakPolarHBondContact O-CG2 3.36Å; W173-V175 PolarHBondContact O-N 3.47Å; V175-L177 PolarHBondContact O-N 3.19Å; V175-I203 HydrophobicContact CG1-CD1 4.12Å; V175-I203 HydrophobicContact CG2-CD1 4.34Å
176E98.9Very high98.4Very high99 Ų9965.2 Ų65.246%0.46332%0.323SS..EExtended strand (participates in β ladder)trans-67.1120.5172.9-177.5-164.4146.200109.3P155 N156 L157 R178P155-E176 PolarHBondContact O-N 3.1Å; N156-E176 CarbonylContact C-O 3.57Å; N156-E176 WeakPolarHBondContact CA-O 3.41Å; N156-E176 HydrophobicContact CB-CB 3.88Å; N156-E176 HydrophobicContact CB-CG 4.38Å; N156-E176 WeakPolarHBondContact CB-O 3.28Å; L157-E176 PolarHBondContact N-O 3.5Å; E176-R178 HydrophobicContact CG-CG 4.45Å; E176-R178 WeakPolarHBondContact OE1-CG 3.28Å; E176-R178 IonicContact OE1-CZ 3.44Å; E176-R178 IonicContact OE1-NE 2.95Å; E176-R178 PolarHBondContact OE1-NE 3.27Å; E176-R178 IonicContact OE1-NH2 3.09Å; E176-R178 IonicContact OE2-NH2 3.02Å
177L98.9Very high98.4Very high44 Ų4466.1 Ų66.123%0.2333%0.328CS..EExtended strand (participates in β ladder)trans-87.7112.6176.5-16868.1000109.9L157 H167 A170 V175 E179L157-L177 HydrophobicContact CB-CD1 4.35Å; L157-L177 HydrophobicContact CD1-CD1 4.32Å; L157-L177 HydrophobicContact CG-CD1 4.5Å; H167-L177 WeakPolarHBondContact ND1-CD2 3.32Å; A170-L177 HydrophobicContact CB-CB 3.8Å; A170-L177 HydrophobicContact CB-CD1 4.27Å; A170-L177 HydrophobicContact CB-CG 4.43Å; V175-L177 PolarHBondContact O-N 3.19Å; L177-E179 HydrophobicContact CD2-CB 4.4Å; L177-E179 HydrophobicContact CG-CB 4.33Å; L177-E179 PolarHBondContact O-N 3.5Å
178R98.9Very high98.4Very high60 Ų6065.9 Ų65.923%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-97.471.6172.1-66.9-174.9179.3171.96.4109.3N156 L157 V158 C159 E176 I180 A197 D199N156-R178 HydrophobicContact CB-CG 4.27Å; L157-R178 PolarHBondContact O-N 3.09Å; V158-R178 HydrophobicContact CG2-CB 4.12Å; C159-R178 PolarHBondContact N-O 3.15Å; E176-R178 HydrophobicContact CG-CG 4.45Å; E176-R178 WeakPolarHBondContact OE1-CG 3.28Å; E176-R178 IonicContact OE1-CZ 3.44Å; E176-R178 IonicContact OE1-NE 2.95Å; E176-R178 PolarHBondContact OE1-NE 3.27Å; E176-R178 IonicContact OE1-NH2 3.09Å; E176-R178 IonicContact OE2-NH2 3.02Å; R178-I180 PolarHBondContact O-N 3.01Å; R178-A197 HydrophobicContact CB-CB 4.48Å; R178-A197 WeakPolarHBondContact CD-O 3.21Å; R178-A197 PolarHBondContact NH1-O 3.43Å; R178-D199 IonicContact CZ-OD2 3.79Å; R178-D199 VanDerWaalsContact CZ-OD2 3.27Å; R178-D199 IonicContact NH1-OD1 2.65Å; R178-D199 IonicContact NH1-OD2 3.09Å; R178-D199 PolarHBondContact NH1-OD2 2.86Å; R178-D199 IonicContact NH2-OD2 2.72Å; R178-D199 PolarHBondContact NH2-OD2 3.26Å
179E98.9Very high98.4Very high66 Ų6661.9 Ų61.931%0.30831%0.309SS..EExtended strand (participates in β ladder)trans-72.8116.7176.5-168.9-179.3-171.500110G160 H167 L177 P181G160-E179 VanDerWaalsContact O-CG 3.32Å; G160-E179 WeakPolarHBondContact O-CG 3.37Å; H167-E179 IonicContact CE1-OE2 3.65Å; H167-E179 PolarHBondContact CE1-OE2 3.49Å; H167-E179 IonicContact NE2-OE1 3.34Å; H167-E179 IonicContact NE2-OE2 2.7Å; L177-E179 HydrophobicContact CD2-CB 4.4Å; L177-E179 HydrophobicContact CG-CB 4.33Å; L177-E179 PolarHBondContact O-N 3.5Å; E179-P181 WeakPolarHBondContact O-CD 3.31Å
180I98.8Very high98.4Very high11 Ų1163.9 Ų63.96%0.05632%0.319CS..  trans-67.2115.8175.5-57.3-53.4000108.1V158 C159 R178 M189 R193 A197V158-I180 HydrophobicContact CG1-CD1 4.39Å; V158-I180 HydrophobicContact CG1-CG1 4.43Å; C159-I180 WeakPolarHBondContact O-CG1 3.35Å; C159-I180 PolarHBondContact O-N 3.12Å; R178-I180 PolarHBondContact O-N 3.01Å; I180-M189 HydrophobicContact CB-CB 4.42Å; I180-M189 HydrophobicContact CB-CG 4.48Å; I180-M189 HydrophobicContact CG1-CB 4.44Å; I180-M189 HydrophobicContact CG1-CG 3.99Å; I180-M189 HydrophobicContact CG1-SD 4.07Å; I180-R193 HydrophobicContact CD1-CB 4.45Å; I180-R193 WeakPolarHBondContact CD1-O 3.33Å; I180-R193 HydrophobicContact CG2-CB 3.84Å; I180-A197 HydrophobicContact CD1-CB 3.75Å
181P98.5Very high98.4Very high46 Ų4665.8 Ų65.830%0.29933%0.331SS..  trans-68.4139.9-169.926.7-34.3000111.2E179 R193 E414E179-P181 WeakPolarHBondContact O-CD 3.31Å; P181-R193 PolarHBondContact O-NH1 2.9Å; P181-E414 HydrophobicContact CB-CG 4.43Å
182M98.7Very high98.4Very high7 Ų763.2 Ų63.23%0.03433%0.325CS..  trans-64137.1162.4-68.5-174.7-87.800109.4P161 L187 Y213 L411 G412 E414 A415P161-M182 HydrophobicContact CB-CE 3.75Å; P161-M182 HydrophobicContact CB-CG 3.79Å; P161-M182 HydrophobicContact CB-SD 3.76Å; P161-M182 HydrophobicContact CG-CG 4.28Å; P161-M182 HydrophobicContact CG-SD 4.36Å; M182-L187 HydrophobicContact CB-CD2 4.23Å; M182-L187 WeakPolarHBondContact CG-O 3.41Å; M182-Y213 HydrophobicContact CE-CD2 4.14Å; M182-Y213 HydrophobicContact CE-CE2 4.47Å; M182-L411 HydrophobicContact CE-CB 4.31Å; M182-L411 HydrophobicContact SD-CB 4.26Å; M182-L411 HydrophobicContact SD-CD1 4.46Å; M182-L411 HydrophobicContact SD-CD2 4.46Å; M182-G412 VanDerWaalsContact CE-N 3.29Å; M182-E414 CarbonylContact O-C 3.49Å; M182-E414 WeakPolarHBondContact O-CA 3.31Å; M182-E414 PolarHBondContact O-N 3.24Å; M182-A415 HydrophobicContact CB-CB 4.06Å; M182-A415 PolarHBondContact O-N 3.37Å
183R98.1Very high98.3Very high85 Ų8557.1 Ų57.132%0.32130%0.301SS..BIsolated β-bridgetrans-144.7157.617167.8-175.9176.7-173.1-1.2110.8G185 Q186 L187 E414R183-G185 PolarHBondContact O-N 3.15Å; R183-Q186 HydrophobicContact CG-CB 3.86Å; R183-Q186 PolarHBondContact N-O 3.49Å; R183-Q186 VanDerWaalsContact N-O 3.12Å; R183-Q186 CarbonylContact O-C 3.58Å; R183-Q186 WeakPolarHBondContact O-CA 3.5Å; R183-Q186 PolarHBondContact O-N 3.17Å; R183-L187 WeakPolarHBondContact O-CD2 3.39Å; R183-E414 HydrophobicContact CB-CB 3.82Å; R183-E414 WeakPolarHBondContact CB-OE2 3.42Å; R183-E414 WeakPolarHBondContact CD-OE2 3.39Å
184P96.9Very high98.3Very high85 Ų8554.8 Ų54.855%0.55229%0.292SS*.THydrogen-bonded Turntrans-48129.2178.5-26.432.1000112.5Q186 I418P184-Q186 PolarHBondContact O-N 3.04Å; P184-I418 HydrophobicContact CB-CD1 4.44Å; P184-I418 HydrophobicContact CG-CD1 4.15Å
185G94.4Very high98.4Very high83 Ų8350.7 Ų50.786%0.85627%0.27SS*.THydrogen-bonded Turntrans75.5-8.4-176.400000116.2R183R183-G185 PolarHBondContact O-N 3.15Å
186Q96.7Very high98.3Very high81 Ų8156.7 Ų56.738%0.37930%0.297SS..BIsolated β-bridgetrans-143.375.2-179-65.9-172.7-22.600110.9R183 P184R183-Q186 HydrophobicContact CG-CB 3.86Å; R183-Q186 PolarHBondContact N-O 3.49Å; R183-Q186 VanDerWaalsContact N-O 3.12Å; R183-Q186 CarbonylContact O-C 3.58Å; R183-Q186 WeakPolarHBondContact O-CA 3.5Å; R183-Q186 PolarHBondContact O-N 3.17Å; P184-Q186 PolarHBondContact O-N 3.04Å
187L98.6Very high98.3Very high19 Ų1952.7 Ų52.710%0.09928%0.281CS..  trans-89.10.1-172.9-58.5178.1000114.4M182 R183 I366 L411 A415M182-L187 HydrophobicContact CB-CD2 4.23Å; M182-L187 WeakPolarHBondContact CG-O 3.41Å; R183-L187 WeakPolarHBondContact O-CD2 3.39Å; L187-I366 HydrophobicContact CD1-CD1 3.91Å; L187-I366 HydrophobicContact CD1-CG1 4.05Å; L187-I366 HydrophobicContact CD1-CG2 3.74Å; L187-L411 HydrophobicContact CD1-CD1 4.28Å; L187-L411 HydrophobicContact CD2-CD1 3.93Å; L187-A415 HydrophobicContact CD2-CB 4.35Å
188F98.8Very high98.3Very high56 Ų5651.2 Ų51.225%0.24628%0.275CS..SBendtrans-132.6160.2-173.6-51.4-58.4000110.4P161 D190 R193 V211 T214 N216 E218 I366P161-F188 HydrophobicContact CG-CD1 4.32Å; F188-D190 PolarHBondContact O-N 2.8Å; F188-R193 PolarHBondContact O-NH2 2.87Å; F188-V211 HydrophobicContact CD1-CG2 3.91Å; F188-V211 HydrophobicContact CE1-CB 4.33Å; F188-V211 HydrophobicContact CE1-CG1 4.33Å; F188-V211 HydrophobicContact CE1-CG2 4.07Å; F188-T214 HydrophobicContact CE1-CG2 4.4Å; F188-T214 WeakPolarHBondContact CE1-OG1 3.28Å; F188-T214 HydrophobicContact CZ-CG2 4.44Å; F188-N216 HydrophobicContact CE1-CB 4.02Å; F188-N216 HydrophobicContact CE2-CB 4.15Å; F188-N216 WeakPolarHBondContact CE2-ND2 3.35Å; F188-N216 HydrophobicContact CZ-CB 3.68Å; F188-N216 WeakPolarHBondContact CZ-ND2 3.4Å; F188-E218 HydrophobicContact CB-CG 4.21Å; F188-E218 HydrophobicContact CD1-CG 4.43Å; F188-I366 HydrophobicContact CZ-CG2 4.37Å
189M98.8Very high98.3Very high9 Ų950.4 Ų50.44%0.04428%0.275CS..  trans-65.6117.4169.5179.3164.866.300109.7V158 I180 M194 V205 P207 E218 L223V158-M189 HydrophobicContact CG1-SD 4.06Å; I180-M189 HydrophobicContact CB-CB 4.42Å; I180-M189 HydrophobicContact CB-CG 4.48Å; I180-M189 HydrophobicContact CG1-CB 4.44Å; I180-M189 HydrophobicContact CG1-CG 3.99Å; I180-M189 HydrophobicContact CG1-SD 4.07Å; M189-M194 HydrophobicContact CG-CB 3.87Å; M189-M194 HydrophobicContact CG-CG 4.32Å; M189-M194 HydrophobicContact SD-CB 4.08Å; M189-M194 HydrophobicContact SD-CG 3.91Å; M189-V205 HydrophobicContact CE-CG1 3.54Å; M189-V205 HydrophobicContact SD-CG1 4.18Å; M189-P207 HydrophobicContact CE-CB 4.42Å; M189-P207 HydrophobicContact CE-CG 4.4Å; M189-E218 VanDerWaalsContact CB-OE1 3.25Å; M189-E218 WeakPolarHBondContact CB-OE1 3.38Å; M189-E218 PolarHBondContact N-OE1 3.14Å; M189-L223 HydrophobicContact CE-CD1 3.86Å; M189-L223 HydrophobicContact CG-CD2 4.39Å
190D98.6Very high98.3Very high42 Ų4250.6 Ų50.623%0.22528%0.276CS..  trans-103.9159.7173.267.2-94.3000111F188 K192 R193 M194F188-D190 PolarHBondContact O-N 2.8Å; D190-K192 VanDerWaalsContact C-N 3.27Å; D190-K192 PolarHBondContact O-N 3.31Å; D190-K192 WeakPolarHBondContact OD2-CB 3.34Å; D190-K192 PolarHBondContact OD2-N 3.11Å; D190-R193 PolarHBondContact O-N 3.08Å; D190-R193 IonicContact OD1-CZ 2.86Å; D190-R193 IonicContact OD1-NE 3.56Å; D190-R193 PolarHBondContact OD1-NE 3.18Å; D190-R193 IonicContact OD1-NH2 2.79Å; D190-R193 PolarHBondContact OD1-NH2 2.95Å; D190-R193 PolarHBondContact OD2-N 2.87Å; D190-R193 VanDerWaalsContact OD2-N 3.07Å; D190-M194 VanDerWaalsContact O-CB 3.31Å; D190-M194 WeakPolarHBondContact O-CB 3.41Å; D190-M194 PolarHBondContact O-N 2.82Å
191P98.8Very high98.3Very high50 Ų5051.7 Ų51.733%0.32528%0.282SS..Hα-helixtrans-50.9-41.6-179.2-33.238.5000114.9I195 P222 L223 A226P191-I195 WeakPolarHBondContact O-CG1 3.35Å; P191-I195 PolarHBondContact O-N 3.05Å; P191-I195 VanDerWaalsContact O-N 3.11Å; P191-P222 HydrophobicContact CG-CB 4.06Å; P191-L223 HydrophobicContact CG-CD2 4.16Å; P191-A226 HydrophobicContact CB-CB 3.86Å
192K98.7Very high98.4Very high145 Ų14549.5 Ų49.563%0.6327%0.267SS*.Hα-helixtrans-67.7-53.1-174.6-178.2-174.8173.3-174.70110.4D190 M194 I195 E196D190-K192 VanDerWaalsContact C-N 3.27Å; D190-K192 PolarHBondContact O-N 3.31Å; D190-K192 WeakPolarHBondContact OD2-CB 3.34Å; D190-K192 PolarHBondContact OD2-N 3.11Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 2.92Å; K192-I195 PolarHBondContact O-N 3.14Å; K192-E196 WeakPolarHBondContact CE-OE1 3.5Å; K192-E196 WeakPolarHBondContact O-CG 3.33Å; K192-E196 PolarHBondContact O-N 3Å
193R98.8Very high98.4Very high20 Ų2049.5 Ų49.58%0.07527%0.267CS..Hα-helixtrans-67.8-32.2-179.6-74-171.6-69.5150.89.7112.6I180 P181 F188 D190 A197I180-R193 HydrophobicContact CD1-CB 4.45Å; I180-R193 WeakPolarHBondContact CD1-O 3.33Å; I180-R193 HydrophobicContact CG2-CB 3.84Å; P181-R193 PolarHBondContact O-NH1 2.9Å; F188-R193 PolarHBondContact O-NH2 2.87Å; D190-R193 PolarHBondContact O-N 3.08Å; D190-R193 IonicContact OD1-CZ 2.86Å; D190-R193 IonicContact OD1-NE 3.56Å; D190-R193 PolarHBondContact OD1-NE 3.18Å; D190-R193 IonicContact OD1-NH2 2.79Å; D190-R193 PolarHBondContact OD1-NH2 2.95Å; D190-R193 PolarHBondContact OD2-N 2.87Å; D190-R193 VanDerWaalsContact OD2-N 3.07Å; R193-A197 PolarHBondContact O-N 3.37Å
194M98.9Very high98.4Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-59.3-49.6172.5-178.8-167.765.400111.1V158 M189 D190 K192 A197 C198 V205 L223 A226 L227V158-M194 HydrophobicContact CG1-CG 3.98Å; M189-M194 HydrophobicContact CG-CB 3.87Å; M189-M194 HydrophobicContact CG-CG 4.32Å; M189-M194 HydrophobicContact SD-CB 4.08Å; M189-M194 HydrophobicContact SD-CG 3.91Å; D190-M194 VanDerWaalsContact O-CB 3.31Å; D190-M194 WeakPolarHBondContact O-CB 3.41Å; D190-M194 PolarHBondContact O-N 2.82Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 2.92Å; M194-A197 PolarHBondContact O-N 3.04Å; M194-C198 PolarHBondContact O-N 3.16Å; M194-C198 PolarHBondContact O-SG 3.43Å; M194-V205 HydrophobicContact CG-CG1 4.21Å; M194-V205 HydrophobicContact CG-CG2 4.15Å; M194-V205 HydrophobicContact SD-CB 4.4Å; M194-V205 HydrophobicContact SD-CG1 3.65Å; M194-V205 HydrophobicContact SD-CG2 3.98Å; M194-L223 HydrophobicContact CB-CD2 4.49Å; M194-L223 HydrophobicContact CE-CB 4.16Å; M194-L223 HydrophobicContact CE-CD2 4.18Å; M194-L223 WeakPolarHBondContact CE-O 3.41Å; M194-L223 HydrophobicContact SD-CB 3.83Å; M194-L223 HydrophobicContact SD-CD2 3.75Å; M194-L223 HydrophobicContact SD-CG 4.25Å; M194-A226 HydrophobicContact CE-CB 3.76Å; M194-L227 HydrophobicContact CE-CD2 3.99Å; M194-L227 HydrophobicContact CE-CG 3.98Å; M194-L227 HydrophobicContact SD-CD2 4.49Å
195I98.9Very high98.5Very high47 Ų4741.4 Ų41.424%0.24123%0.226CC..Hα-helixtrans-66.7-38.6-179.4-67.2-54.1000112.1P191 K192 A197 C198 A226 L227 F230P191-I195 WeakPolarHBondContact O-CG1 3.35Å; P191-I195 PolarHBondContact O-N 3.05Å; P191-I195 VanDerWaalsContact O-N 3.11Å; K192-I195 PolarHBondContact O-N 3.14Å; I195-A197 PolarHBondContact O-N 2.77Å; I195-A197 VanDerWaalsContact O-N 3.13Å; I195-C198 PolarHBondContact O-N 3.49Å; I195-C198 VanDerWaalsContact O-N 3.07Å; I195-A226 HydrophobicContact CD1-CB 4.31Å; I195-A226 HydrophobicContact CG1-CB 4.08Å; I195-L227 HydrophobicContact CD1-CD2 4.01Å; I195-F230 HydrophobicContact CD1-CB 3.66Å; I195-F230 HydrophobicContact CD1-CD2 4.11Å; I195-F230 HydrophobicContact CD1-CG 3.89Å; I195-F230 HydrophobicContact CG2-CD2 3.63Å; I195-F230 HydrophobicContact CG2-CE2 3.99Å; I195-F230 HydrophobicContact CG2-CG 4.48Å
196E98.8Very high98.7Very high135 Ų13537.4 Ų37.463%0.63119%0.185SC*.Hα-helixtrans-57.5-25.6174.5-73.9170.8175.200112.9K192K192-E196 WeakPolarHBondContact CE-OE1 3.5Å; K192-E196 WeakPolarHBondContact O-CG 3.33Å; K192-E196 PolarHBondContact O-N 3Å
197A98.8Very high98.8Very high16 Ų1633.6 Ų33.613%0.13217%0.167CC..Hα-helixtrans-95.3-9.5178.800000114.4V158 R178 I180 R193 M194 I195V158-A197 HydrophobicContact CG1-CB 4.05Å; V158-A197 HydrophobicContact CG2-CB 3.93Å; V158-A197 WeakPolarHBondContact CG2-O 3.24Å; R178-A197 HydrophobicContact CB-CB 4.48Å; R178-A197 WeakPolarHBondContact CD-O 3.21Å; R178-A197 PolarHBondContact NH1-O 3.43Å; I180-A197 HydrophobicContact CD1-CB 3.75Å; R193-A197 PolarHBondContact O-N 3.37Å; M194-A197 PolarHBondContact O-N 3.04Å; I195-A197 PolarHBondContact O-N 2.77Å; I195-A197 VanDerWaalsContact O-N 3.13Å
198C98.9Very high98.8Very high13 Ų1332.8 Ų32.89%0.08816%0.163CC..  trans-87.4138.9-176.5-71.80000112.3M194 I195 F230 I238M194-C198 PolarHBondContact O-N 3.16Å; M194-C198 PolarHBondContact O-SG 3.43Å; I195-C198 PolarHBondContact O-N 3.49Å; I195-C198 VanDerWaalsContact O-N 3.07Å; C198-F230 HydrophobicContact CB-CE1 4.03Å; C198-F230 HydrophobicContact CB-CZ 4.03Å; C198-I238 HydrophobicContact CB-CD1 3.75Å
199D98.8Very high98.9Very high43 Ų4330.1 Ų30.123%0.2315%0.151CC..  trans-146.9-173.2170.963.133.5000111.4N156 R178 N201 T202N156-D199 PolarHBondContact ND2-OD1 2.9Å; R178-D199 IonicContact CZ-OD2 3.79Å; R178-D199 VanDerWaalsContact CZ-OD2 3.27Å; R178-D199 IonicContact NH1-OD1 2.65Å; R178-D199 IonicContact NH1-OD2 3.09Å; R178-D199 PolarHBondContact NH1-OD2 2.86Å; R178-D199 IonicContact NH2-OD2 2.72Å; R178-D199 PolarHBondContact NH2-OD2 3.26Å; D199-N201 PolarHBondContact O-N 3.42Å; D199-N201 WeakPolarHBondContact OD1-CA 3.39Å; D199-N201 WeakPolarHBondContact OD1-CB 3.48Å; D199-N201 PolarHBondContact OD1-N 3.32Å; D199-T202 PolarHBondContact N-OG1 2.93Å; D199-T202 WeakPolarHBondContact O-CB 3.46Å; D199-T202 PolarHBondContact O-N 3.25Å; D199-T202 VanDerWaalsContact O-N 3.12Å; D199-T202 PolarHBondContact O-OG1 3.18Å; D199-T202 PolarHBondContact OD1-N 2.84Å
200E98.8Very high98.8Very high70 Ų7029.8 Ų29.833%0.32715%0.15SC..THydrogen-bonded Turntrans-64.8-19.3-179.266.5176.3-173.200114.1W141 M145 K150 I236W141-E200 PolarHBondContact NE1-O 3.41Å; M145-E200 HydrophobicContact CE-CB 4.16Å; M145-E200 HydrophobicContact CE-CG 4.11Å; M145-E200 WeakPolarHBondContact CE-O 3.25Å; K150-E200 WeakPolarHBondContact CD-OE2 3.39Å; K150-E200 WeakPolarHBondContact CE-OE2 3.47Å; K150-E200 IonicContact NZ-OE2 2.79Å; K150-E200 PolarHBondContact NZ-OE2 3.09Å; E200-I236 HydrophobicContact CB-CD1 4.26Å
201N98.9Very high98.9Very high34 Ų3427.8 Ų27.818%0.18214%0.14CC..THydrogen-bonded Turntrans-91.3-3.8178.6-60.7-57.5000112.8W141 K154 P155 N156 D199 I203W141-N201 HydrophobicContact CZ2-CB 4.18Å; K154-N201 VanDerWaalsContact O-CB 3.27Å; K154-N201 WeakPolarHBondContact O-CB 3.32Å; P155-N201 WeakPolarHBondContact CA-O 3.44Å; N156-N201 PolarHBondContact N-O 3.03Å; N156-N201 VanDerWaalsContact ND2-C 3.3Å; N156-N201 PolarHBondContact ND2-O 3.2Å; D199-N201 PolarHBondContact O-N 3.42Å; D199-N201 WeakPolarHBondContact OD1-CA 3.39Å; D199-N201 WeakPolarHBondContact OD1-CB 3.48Å; D199-N201 PolarHBondContact OD1-N 3.32Å; N201-I203 PolarHBondContact O-N 3.01Å
202T99Very high98.8Very high0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-67.2114.2174.2-56.50000109.7N156 V158 D199 G204 I238N156-T202 PolarHBondContact ND2-N 3.45Å; N156-T202 CarbonylContact O-C 3.54Å; N156-T202 WeakPolarHBondContact O-CA 3.02Å; N156-T202 WeakPolarHBondContact OD1-CA 3.45Å; N156-T202 WeakPolarHBondContact OD1-CB 3.37Å; N156-T202 PolarHBondContact OD1-OG1 3.45Å; V158-T202 HydrophobicContact CB-CG2 4.37Å; V158-T202 HydrophobicContact CG2-CG2 3.86Å; D199-T202 PolarHBondContact N-OG1 2.93Å; D199-T202 WeakPolarHBondContact O-CB 3.46Å; D199-T202 PolarHBondContact O-N 3.25Å; D199-T202 VanDerWaalsContact O-N 3.12Å; D199-T202 PolarHBondContact O-OG1 3.18Å; D199-T202 PolarHBondContact OD1-N 2.84Å; T202-G204 WeakPolarHBondContact CG2-O 3.41Å; T202-G204 PolarHBondContact O-N 3.34Å; T202-I238 HydrophobicContact CG2-CD1 4.22Å; T202-I238 HydrophobicContact CG2-CG2 4.26Å
203I98.9Very high98.8Very high6 Ų619.5 Ų19.53%0.03110%0.099CC..EExtended strand (participates in β ladder)trans-71.3-26.4179.568.9169.5000111.6M137 K138 W141 P155 N156 L157 F169 V175 N201M137-I203 HydrophobicContact CG-CB 4.1Å; M137-I203 HydrophobicContact CG-CD1 4.16Å; M137-I203 HydrophobicContact CG-CG1 3.92Å; M137-I203 WeakPolarHBondContact CG-O 3.34Å; M137-I203 HydrophobicContact SD-CD1 4.13Å; M137-I203 HydrophobicContact SD-CG1 3.78Å; K138-I203 HydrophobicContact CB-CD1 3.93Å; W141-I203 HydrophobicContact CB-CB 3.93Å; W141-I203 HydrophobicContact CB-CG2 3.92Å; W141-I203 HydrophobicContact CD2-CG2 3.66Å; W141-I203 HydrophobicContact CE3-CG2 3.83Å; W141-I203 HydrophobicContact CG-CB 4.12Å; W141-I203 HydrophobicContact CG-CG2 3.68Å; P155-I203 HydrophobicContact CB-CG2 3.41Å; P155-I203 VanDerWaalsContact CB-CG2 3.41Å; N156-I203 WeakPolarHBondContact O-CG1 3.23Å; N156-I203 PolarHBondContact O-N 3.01Å; L157-I203 HydrophobicContact CB-CG1 4.41Å; L157-I203 HydrophobicContact CD2-CD1 4.02Å; L157-I203 HydrophobicContact CD2-CG1 3.78Å; F169-I203 HydrophobicContact CE1-CD1 4.2Å; F169-I203 HydrophobicContact CZ-CD1 4.14Å; V175-I203 HydrophobicContact CG1-CD1 4.12Å; V175-I203 HydrophobicContact CG2-CD1 4.34Å; N201-I203 PolarHBondContact O-N 3.01Å
204G98.9Very high98.8Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans168.7178.7176.400000112.1M137 V158 T202 D239M137-G204 WeakPolarHBondContact SD-CA 3.25Å; V158-G204 PolarHBondContact N-O 3.29Å; T202-G204 WeakPolarHBondContact CG2-O 3.41Å; T202-G204 PolarHBondContact O-N 3.34Å; G204-D239 CarbonylContact C-O 2.99Å; G204-D239 WeakPolarHBondContact CA-O 3.44Å
205V99Very high98.8Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-110.4140.2175174.30000110V158 M189 M194 P207 L227 I238 D239 M240 H241V158-V205 HydrophobicContact CB-CG2 4.24Å; V158-V205 CarbonylContact O-C 3.53Å; V158-V205 VanDerWaalsContact O-CA 3.28Å; V158-V205 WeakPolarHBondContact O-CA 3.45Å; M189-V205 HydrophobicContact CE-CG1 3.54Å; M189-V205 HydrophobicContact SD-CG1 4.18Å; M194-V205 HydrophobicContact CG-CG1 4.21Å; M194-V205 HydrophobicContact CG-CG2 4.15Å; M194-V205 HydrophobicContact SD-CB 4.4Å; M194-V205 HydrophobicContact SD-CG1 3.65Å; M194-V205 HydrophobicContact SD-CG2 3.98Å; V205-P207 HydrophobicContact CG1-CG 4.37Å; V205-L227 HydrophobicContact CB-CD1 4.41Å; V205-L227 HydrophobicContact CG2-CD1 4.17Å; V205-L227 HydrophobicContact CG2-CD2 4.19Å; V205-I238 HydrophobicContact CG2-CG2 3.99Å; V205-D239 PolarHBondContact N-O 3.11Å; V205-M240 HydrophobicContact CB-CG 4.44Å; V205-M240 WeakPolarHBondContact O-CA 3.16Å; V205-H241 PolarHBondContact O-N 2.75Å; V205-H241 VanDerWaalsContact O-N 3.09Å
206V99Very high98.8Very high0 Ų017 Ų170%09%0.087CC..EExtended strand (participates in β ladder)trans-120.795.9175.7-178.40000111M137 L157 V158 C159 W166 H241 D243M137-V206 HydrophobicContact CE-CG2 4.36Å; L157-V206 HydrophobicContact CD1-CB 4.08Å; L157-V206 HydrophobicContact CD1-CG2 3.72Å; L157-V206 HydrophobicContact CD2-CG2 3.83Å; L157-V206 HydrophobicContact CG-CG2 4.28Å; V158-V206 PolarHBondContact O-N 3.18Å; C159-V206 HydrophobicContact CB-CB 4.08Å; C159-V206 WeakPolarHBondContact CB-O 3.32Å; W166-V206 HydrophobicContact CD2-CG1 4.23Å; W166-V206 HydrophobicContact CE3-CG2 4.34Å; W166-V206 HydrophobicContact CH2-CG1 4.19Å; W166-V206 HydrophobicContact CH2-CG2 3.84Å; W166-V206 HydrophobicContact CZ2-CG1 3.59Å; W166-V206 HydrophobicContact CZ2-CG2 4.12Å; W166-V206 HydrophobicContact CZ3-CG2 3.96Å; V206-H241 WeakPolarHBondContact CA-O 3.5Å; V206-H241 HydrophobicContact CG2-CB 4.39Å; V206-D243 HydrophobicContact CG1-CB 4.13Å
207P98.9Very high98.8Very high0 Ų010.9 Ų10.90%06%0.058CC..  trans-72.7138.4163.8-11.128.2000110.5M189 V205 E218 P220 L223 M240 H241 I242 D243M189-P207 HydrophobicContact CE-CB 4.42Å; M189-P207 HydrophobicContact CE-CG 4.4Å; V205-P207 HydrophobicContact CG1-CG 4.37Å; P207-E218 HydrophobicContact CB-CB 4.2Å; P207-P220 HydrophobicContact CB-CG 4.47Å; P207-L223 HydrophobicContact CB-CD1 3.82Å; P207-L223 HydrophobicContact CG-CD1 3.71Å; P207-M240 HydrophobicContact CG-CE 3.39Å; P207-H241 WeakPolarHBondContact CD-O 3.37Å; P207-I242 HydrophobicContact CB-CD1 4.33Å; P207-I242 HydrophobicContact CG-CD1 3.75Å; P207-D243 PolarHBondContact O-N 2.95Å; P207-D243 VanDerWaalsContact O-N 3.14Å
208T98.9Very high98.8Very high2 Ų210.3 Ų10.31%0.0125%0.053CC..BIsolated β-bridgetrans-94.2100.4174-49.30000109.6G210 V211 E218T208-G210 PolarHBondContact O-N 3.26Å; T208-V211 HydrophobicContact CG2-CG2 4.38Å; T208-E218 PolarHBondContact N-OE2 2.78Å; T208-E218 PolarHBondContact O-N 3.2Å; T208-E218 VanDerWaalsContact O-N 3.12Å
209F98.9Very high98.8Very high0 Ų013.6 Ų13.60%07%0.066CC..BIsolated β-bridgetrans-8167.3179.9-163.1-112.6000110.7Y217 P220 I242 D243 A244 G247 A251 I258 W260F209-Y217 HydrophobicContact CD1-CD1 4.21Å; F209-Y217 HydrophobicContact CD1-CE1 4.15Å; F209-Y217 AromaticContact CD2-CD1 3.9Å; F209-Y217 HydrophobicContact CD2-CD1 3.9Å; F209-Y217 AromaticContact CD2-CG 3.93Å; F209-Y217 HydrophobicContact CD2-CG 3.93Å; F209-Y217 HydrophobicContact CE1-CD1 4.23Å; F209-Y217 HydrophobicContact CE1-CE1 4Å; F209-Y217 HydrophobicContact CE1-CE2 4.49Å; F209-Y217 AromaticContact CE2-CD1 3.92Å; F209-Y217 HydrophobicContact CE2-CD1 3.92Å; F209-Y217 AromaticContact CE2-CD2 3.93Å; F209-Y217 HydrophobicContact CE2-CD2 3.93Å; F209-Y217 HydrophobicContact CE2-CE1 4.46Å; F209-Y217 HydrophobicContact CE2-CE2 4.44Å; F209-Y217 AromaticContact CE2-CG 3.63Å; F209-Y217 HydrophobicContact CE2-CG 3.63Å; F209-Y217 HydrophobicContact CG-CD1 4.03Å; F209-Y217 HydrophobicContact CG-CE1 4.43Å; F209-Y217 HydrophobicContact CZ-CD1 4.08Å; F209-Y217 AromaticContact CZ-CD2 3.96Å; F209-Y217 HydrophobicContact CZ-CD2 3.96Å; F209-Y217 HydrophobicContact CZ-CE1 4.16Å; F209-Y217 HydrophobicContact CZ-CE2 4.01Å; F209-Y217 AromaticContact CZ-CG 3.99Å; F209-Y217 HydrophobicContact CZ-CG 3.99Å; F209-P220 HydrophobicContact CD2-CG 4.29Å; F209-I242 HydrophobicContact CB-CG2 3.53Å; F209-I242 HydrophobicContact CG-CG2 4.38Å; F209-D243 PolarHBondContact N-O 3.37Å; F209-A244 HydrophobicContact CB-CB 4.26Å; F209-A244 HydrophobicContact CD1-CB 4.37Å; F209-G247 VanDerWaalsContact O-CA 3.25Å; F209-G247 WeakPolarHBondContact O-CA 3.4Å; F209-G247 PolarHBondContact O-N 3.43Å; F209-G247 VanDerWaalsContact O-N 3.17Å; F209-A251 HydrophobicContact CE1-CB 3.5Å; F209-A251 HydrophobicContact CZ-CB 3.67Å; F209-I258 HydrophobicContact CE2-CG2 4.18Å; F209-I258 HydrophobicContact CZ-CG2 4.14Å; F209-W260 AromaticContact CD1-CD2 3.76Å; F209-W260 HydrophobicContact CD1-CD2 3.76Å; F209-W260 AromaticContact CD1-CE3 3.77Å; F209-W260 HydrophobicContact CD1-CE3 3.77Å; F209-W260 HydrophobicContact CD1-CG 4.14Å; F209-W260 HydrophobicContact CD1-CZ3 4.23Å; F209-W260 HydrophobicContact CD2-CB 4.04Å; F209-W260 HydrophobicContact CD2-CG 4.4Å; F209-W260 HydrophobicContact CE1-CB 4.22Å; F209-W260 AromaticContact CE1-CD1 3.73Å; F209-W260 AromaticContact CE1-CD2 3.51Å; F209-W260 HydrophobicContact CE1-CD2 3.51Å; F209-W260 AromaticContact CE1-CE2 3.7Å; F209-W260 HydrophobicContact CE1-CE3 4.03Å; F209-W260 AromaticContact CE1-CG 3.58Å; F209-W260 HydrophobicContact CE1-CG 3.58Å; F209-W260 HydrophobicContact CE1-CZ2 4.37Å; F209-W260 AromaticContact CE1-NE1 3.83Å; F209-W260 HydrophobicContact CE2-CB 3.61Å; F209-W260 HydrophobicContact CE2-CD2 4.49Å; F209-W260 AromaticContact CE2-CG 3.88Å; F209-W260 HydrophobicContact CE2-CG 3.88Å; F209-W260 HydrophobicContact CG-CD2 4.36Å; F209-W260 HydrophobicContact CG-CE3 4.19Å; F209-W260 HydrophobicContact CZ-CB 3.72Å; F209-W260 AromaticContact CZ-CD1 3.52Å; F209-W260 AromaticContact CZ-CD2 3.92Å; F209-W260 HydrophobicContact CZ-CD2 3.92Å; F209-W260 AromaticContact CZ-CG 3.43Å; F209-W260 HydrophobicContact CZ-CG 3.43Å; F209-W260 VanDerWaalsContact CZ-CG 3.43Å
210G98.7Very high98.8Very high3 Ų311.6 Ų11.63%0.0316%0.055CC..THydrogen-bonded Turntrans128.571.5-176.600000110.1T208 T212T208-G210 PolarHBondContact O-N 3.26Å; G210-T212 PolarHBondContact O-N 3.01Å
211V98.7Very high98.8Very high0 Ų012.3 Ų12.30%06%0.059CC..  trans-55.5122-175.7174.10000110.1P161 F188 T208 Y213 T214 G215 N216 E218P161-V211 HydrophobicContact CB-CG1 4.35Å; P161-V211 HydrophobicContact CG-CG1 3.72Å; P161-V211 HydrophobicContact CG-CG2 4.13Å; F188-V211 HydrophobicContact CD1-CG2 3.91Å; F188-V211 HydrophobicContact CE1-CB 4.33Å; F188-V211 HydrophobicContact CE1-CG1 4.33Å; F188-V211 HydrophobicContact CE1-CG2 4.07Å; T208-V211 HydrophobicContact CG2-CG2 4.38Å; V211-Y213 HydrophobicContact CG1-CD2 4.12Å; V211-Y213 PolarHBondContact O-N 2.93Å; V211-T214 PolarHBondContact O-N 2.9Å; V211-G215 WeakPolarHBondContact O-CA 3.4Å; V211-G215 PolarHBondContact O-N 3.38Å; V211-N216 WeakPolarHBondContact CB-O 3.44Å; V211-N216 WeakPolarHBondContact CG2-O 3.13Å; V211-N216 PolarHBondContact N-O 3.32Å; V211-E218 HydrophobicContact CG2-CG 3.79Å
212T97.9Very high98.8Very high4 Ų413.6 Ų13.63%0.0257%0.069CC..THydrogen-bonded Turntrans-57.5-41.2-174.5-630000110.9F63 Q163 G210 T214 R422 K464F63-T212 HydrophobicContact CE2-CG2 3.96Å; F63-T212 HydrophobicContact CZ-CG2 4.04Å; F63-T212 WeakPolarHBondContact CZ-O 3.38Å; Q163-T212 HydrophobicContact CG-CG2 4.44Å; G210-T212 PolarHBondContact O-N 3.01Å; T212-T214 PolarHBondContact O-N 3.4Å; T212-R422 PolarHBondContact O-NH1 2.87Å; T212-K464 WeakPolarHBondContact CG2-O 3.43Å
213Y98.3Very high98.8Very high17 Ų1713.8 Ų13.87%0.0677%0.07CC..THydrogen-bonded Turntrans-69.2-33.8-174.6-52.6-70.4000114P161 V162 M182 V211 F409 K464 H465P161-Y213 HydrophobicContact CB-CD2 4.07Å; P161-Y213 HydrophobicContact CB-CE2 4.24Å; P161-Y213 WeakPolarHBondContact O-CE2 3.48Å; V162-Y213 WeakPolarHBondContact O-CE2 3.49Å; V162-Y213 PolarHBondContact O-OH 3.17Å; M182-Y213 HydrophobicContact CE-CD2 4.14Å; M182-Y213 HydrophobicContact CE-CE2 4.47Å; V211-Y213 HydrophobicContact CG1-CD2 4.12Å; V211-Y213 PolarHBondContact O-N 2.93Å; Y213-F409 HydrophobicContact CD1-CE2 4.47Å; Y213-F409 WeakPolarHBondContact O-CZ 3.34Å; Y213-K464 HydrophobicContact CD1-CD 4.26Å; Y213-K464 HydrophobicContact CE1-CD 4.28Å; Y213-K464 HydrophobicContact CE1-CG 4.46Å; Y213-H465 AromaticContact CE1-CE1 3.97Å
214T98.6Very high98.8Very high0 Ų013.9 Ų13.90%07%0.07CC..THydrogen-bonded Turntrans-122.5-27.1-168.461.40000114.2F188 V211 T212 N216 I366 C367 C379 L411F188-T214 HydrophobicContact CE1-CG2 4.4Å; F188-T214 WeakPolarHBondContact CE1-OG1 3.28Å; F188-T214 HydrophobicContact CZ-CG2 4.44Å; V211-T214 PolarHBondContact O-N 2.9Å; T212-T214 PolarHBondContact O-N 3.4Å; T214-N216 PolarHBondContact OG1-N 2.87Å; T214-I366 HydrophobicContact CG2-CG2 3.78Å; T214-C367 WeakPolarHBondContact O-CB 3.45Å; T214-C379 VanDerWaalsContact O-CB 3.22Å; T214-C379 WeakPolarHBondContact O-CB 3.47Å; T214-L411 HydrophobicContact CG2-CD2 4.5Å
215G98.6Very high98.8Very high0 Ų018.2 Ų18.20%09%0.093CC..  trans94.3-12-175.200000114.9V211 G374 I375V211-G215 WeakPolarHBondContact O-CA 3.4Å; V211-G215 PolarHBondContact O-N 3.38Å; G215-G374 CarbonylContact O-C 3.47Å; G215-G374 VanDerWaalsContact O-CA 3.27Å; G215-G374 WeakPolarHBondContact O-CA 3.43Å; G215-I375 WeakPolarHBondContact O-CG1 3.22Å; G215-I375 PolarHBondContact O-N 3.47Å
216N98.9Very high98.8Very high15 Ų1519 Ų198%0.0810%0.1CC..BIsolated β-bridgetrans-73.2153.4-178.3-65.4-25.2000112.6F188 V211 T214 I366 C367 E373F188-N216 HydrophobicContact CE1-CB 4.02Å; F188-N216 HydrophobicContact CE2-CB 4.15Å; F188-N216 WeakPolarHBondContact CE2-ND2 3.35Å; F188-N216 HydrophobicContact CZ-CB 3.68Å; F188-N216 WeakPolarHBondContact CZ-ND2 3.4Å; V211-N216 WeakPolarHBondContact CB-O 3.44Å; V211-N216 WeakPolarHBondContact CG2-O 3.13Å; V211-N216 PolarHBondContact N-O 3.32Å; T214-N216 PolarHBondContact OG1-N 2.87Å; N216-I366 PolarHBondContact ND2-O 2.98Å; N216-I366 PolarHBondContact OD1-O 2.93Å; N216-C367 WeakPolarHBondContact OD1-CB 3.45Å; N216-C367 PolarHBondContact OD1-SG 3.27Å; N216-E373 WeakPolarHBondContact CA-O 3.42Å
217Y98.9Very high98.8Very high5 Ų519 Ų192%0.0210%0.1CC..BIsolated β-bridgetrans-79.7136.5169-64.3-38.2000111.5F209 F219 I258 Y347 E373 G374 I375F209-Y217 HydrophobicContact CD1-CD1 4.21Å; F209-Y217 HydrophobicContact CD1-CE1 4.15Å; F209-Y217 AromaticContact CD2-CD1 3.9Å; F209-Y217 HydrophobicContact CD2-CD1 3.9Å; F209-Y217 AromaticContact CD2-CG 3.93Å; F209-Y217 HydrophobicContact CD2-CG 3.93Å; F209-Y217 HydrophobicContact CE1-CD1 4.23Å; F209-Y217 HydrophobicContact CE1-CE1 4Å; F209-Y217 HydrophobicContact CE1-CE2 4.49Å; F209-Y217 AromaticContact CE2-CD1 3.92Å; F209-Y217 HydrophobicContact CE2-CD1 3.92Å; F209-Y217 AromaticContact CE2-CD2 3.93Å; F209-Y217 HydrophobicContact CE2-CD2 3.93Å; F209-Y217 HydrophobicContact CE2-CE1 4.46Å; F209-Y217 HydrophobicContact CE2-CE2 4.44Å; F209-Y217 AromaticContact CE2-CG 3.63Å; F209-Y217 HydrophobicContact CE2-CG 3.63Å; F209-Y217 HydrophobicContact CG-CD1 4.03Å; F209-Y217 HydrophobicContact CG-CE1 4.43Å; F209-Y217 HydrophobicContact CZ-CD1 4.08Å; F209-Y217 AromaticContact CZ-CD2 3.96Å; F209-Y217 HydrophobicContact CZ-CD2 3.96Å; F209-Y217 HydrophobicContact CZ-CE1 4.16Å; F209-Y217 HydrophobicContact CZ-CE2 4.01Å; F209-Y217 AromaticContact CZ-CG 3.99Å; F209-Y217 HydrophobicContact CZ-CG 3.99Å; Y217-F219 HydrophobicContact CD2-CE1 4.32Å; Y217-I258 HydrophobicContact CD2-CD1 4.41Å; Y217-I258 HydrophobicContact CE2-CD1 4.41Å; Y217-Y347 PolarHBondContact OH-OH 3.33Å; Y217-E373 PolarHBondContact N-O 3.34Å; Y217-G374 PolarHBondContact OH-O 3.23Å; Y217-I375 HydrophobicContact CE1-CG2 3.9Å
218E98.9Very high98.8Very high4 Ų422.4 Ų22.42%0.01912%0.118CC..  trans-84.8107.5152.7-62.1-167.1127.800108.2P161 F188 M189 P207 T208 V211 P220P161-E218 VanDerWaalsContact CD-OE1 3.24Å; P161-E218 WeakPolarHBondContact CD-OE1 3.3Å; F188-E218 HydrophobicContact CB-CG 4.21Å; F188-E218 HydrophobicContact CD1-CG 4.43Å; M189-E218 VanDerWaalsContact CB-OE1 3.25Å; M189-E218 WeakPolarHBondContact CB-OE1 3.38Å; M189-E218 PolarHBondContact N-OE1 3.14Å; P207-E218 HydrophobicContact CB-CB 4.2Å; T208-E218 PolarHBondContact N-OE2 2.78Å; T208-E218 PolarHBondContact O-N 3.2Å; T208-E218 VanDerWaalsContact O-N 3.12Å; V211-E218 HydrophobicContact CG2-CG 3.79Å; E218-P220 WeakPolarHBondContact O-CD 3.44Å
219F98.9Very high98.8Very high83 Ų8328.4 Ų28.436%0.36414%0.144SC..  trans-68.5120.3-175.2-64.2-79.6000111.3Y217 Q221 P222 I258 D372Y217-F219 HydrophobicContact CD2-CE1 4.32Å; F219-Q221 PolarHBondContact O-N 2.99Å; F219-P222 HydrophobicContact CB-CG 4.36Å; F219-P222 WeakPolarHBondContact O-CD 3.27Å; F219-I258 HydrophobicContact CD1-CG2 4.06Å; F219-I258 HydrophobicContact CE1-CD1 4.16Å; F219-I258 HydrophobicContact CE1-CG2 4.3Å; F219-D372 VanDerWaalsContact CZ-O 3.31Å; F219-D372 WeakPolarHBondContact CZ-O 3.45Å
220P98.9Very high98.8Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-71-29.6-176.3-26.739.9000114.5P207 F209 E218 L223 H224 M240 I242 W260 L264P207-P220 HydrophobicContact CB-CG 4.47Å; F209-P220 HydrophobicContact CD2-CG 4.29Å; E218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-L223 WeakPolarHBondContact O-CB 3.31Å; P220-L223 PolarHBondContact O-N 3.44Å; P220-H224 WeakPolarHBondContact O-CB 3.44Å; P220-H224 PolarHBondContact O-N 3.41Å; P220-M240 HydrophobicContact CB-CE 3.99Å; P220-I242 HydrophobicContact CB-CD1 3.87Å; P220-I242 HydrophobicContact CG-CD1 3.81Å; P220-I242 HydrophobicContact CG-CG1 4.46Å; P220-I242 HydrophobicContact CG-CG2 4.48Å; P220-W260 HydrophobicContact CG-CB 3.8Å; P220-L264 HydrophobicContact CB-CD1 3.61Å
221Q98.9Very high98.8Very high86 Ų8632.4 Ų32.440%0.40216%0.162SC..Hα-helixtrans-61.9-50-174.6-179.2172.632.700113.7F219 L223 H224 D225 L264F219-Q221 PolarHBondContact O-N 2.99Å; Q221-L223 PolarHBondContact O-N 2.84Å; Q221-H224 WeakPolarHBondContact O-CB 3.21Å; Q221-H224 PolarHBondContact O-N 3.2Å; Q221-H224 VanDerWaalsContact O-N 3.1Å; Q221-D225 PolarHBondContact O-N 3.21Å; Q221-L264 HydrophobicContact CB-CD2 4.31Å; Q221-L264 HydrophobicContact CG-CD2 4.36Å
222P98.9Very high98.8Very high61 Ų6136.4 Ų36.440%0.39619%0.194SC..Hα-helixtrans-59.4-30.7175.3-25.834.7000114.2P191 F219 A226P191-P222 HydrophobicContact CG-CB 4.06Å; F219-P222 HydrophobicContact CB-CG 4.36Å; F219-P222 WeakPolarHBondContact O-CD 3.27Å; P222-A226 PolarHBondContact O-N 2.82Å
223L98.9Very high98.8Very high3 Ų341.4 Ų41.42%0.01622%0.221CC..Hα-helixtrans-75.1-40.7176.8-57.2174.4000110.7M189 P191 M194 P207 P220 Q221 A226 L227 M240M189-L223 HydrophobicContact CE-CD1 3.86Å; M189-L223 HydrophobicContact CG-CD2 4.39Å; P191-L223 HydrophobicContact CG-CD2 4.16Å; M194-L223 HydrophobicContact CB-CD2 4.49Å; M194-L223 HydrophobicContact CE-CB 4.16Å; M194-L223 HydrophobicContact CE-CD2 4.18Å; M194-L223 WeakPolarHBondContact CE-O 3.41Å; M194-L223 HydrophobicContact SD-CB 3.83Å; M194-L223 HydrophobicContact SD-CD2 3.75Å; M194-L223 HydrophobicContact SD-CG 4.25Å; P207-L223 HydrophobicContact CB-CD1 3.82Å; P207-L223 HydrophobicContact CG-CD1 3.71Å; P220-L223 WeakPolarHBondContact O-CB 3.31Å; P220-L223 PolarHBondContact O-N 3.44Å; Q221-L223 PolarHBondContact O-N 2.84Å; L223-A226 PolarHBondContact O-N 3.32Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 3.36Å; L223-M240 HydrophobicContact CB-CE 4.08Å
224H98.9Very high98.8Very high8 Ų843.9 Ų43.94%0.03724%0.238CC..Hα-helixtrans-58.3-48.4173.8177-73.8000111.3P220 Q221 A226 L227 D228 M240 L264 R266P220-H224 WeakPolarHBondContact O-CB 3.44Å; P220-H224 PolarHBondContact O-N 3.41Å; Q221-H224 WeakPolarHBondContact O-CB 3.21Å; Q221-H224 PolarHBondContact O-N 3.2Å; Q221-H224 VanDerWaalsContact O-N 3.1Å; H224-A226 VanDerWaalsContact C-N 3.27Å; H224-A226 PolarHBondContact O-N 3.15Å; H224-L227 WeakPolarHBondContact O-CB 3.38Å; H224-L227 PolarHBondContact O-N 3.15Å; H224-L227 VanDerWaalsContact O-N 3.08Å; H224-D228 IonicContact CE1-OD1 3.19Å; H224-D228 IonicContact CE1-OD2 2.69Å; H224-D228 PolarHBondContact CE1-OD2 2.88Å; H224-D228 IonicContact ND1-OD2 3.74Å; H224-D228 PolarHBondContact O-N 3.02Å; H224-M240 HydrophobicContact CB-SD 3.98Å; H224-L264 HydrophobicContact CB-CD1 4.28Å; H224-L264 HydrophobicContact CB-CD2 4.32Å; H224-R266 WeakPolarHBondContact NE2-CG 3.26Å; H224-R266 PolarHBondContact NE2-N 3.48Å
225D98.9Very high98.8Very high91 Ų9146.7 Ų46.749%0.48727%0.267SS..Hα-helixtrans-58.5-39.3177.7-64.7-34000111.9Q221 D228 K229Q221-D225 PolarHBondContact O-N 3.21Å; D225-D228 PolarHBondContact O-N 2.87Å; D225-K229 PolarHBondContact O-N 2.78Å
226A98.9Very high98.8Very high17 Ų1748.3 Ų48.314%0.1428%0.275CS..Hα-helixtrans-68.5-36.8177.600000112.6P191 M194 I195 P222 L223 H224 K229 F230P191-A226 HydrophobicContact CB-CB 3.86Å; M194-A226 HydrophobicContact CE-CB 3.76Å; I195-A226 HydrophobicContact CD1-CB 4.31Å; I195-A226 HydrophobicContact CG1-CB 4.08Å; P222-A226 PolarHBondContact O-N 2.82Å; L223-A226 PolarHBondContact O-N 3.32Å; H224-A226 VanDerWaalsContact C-N 3.27Å; H224-A226 PolarHBondContact O-N 3.15Å; A226-K229 PolarHBondContact O-N 2.63Å; A226-F230 WeakPolarHBondContact O-CB 3.45Å; A226-F230 PolarHBondContact O-N 3.37Å
227L98.9Very high98.8Very high1 Ų150.6 Ų50.61%0.00529%0.287CS..Hα-helixtrans-68.1-36.9173.5-68.4179.5000112.1M194 I195 V205 L223 H224 F230 Q231 I238 M240M194-L227 HydrophobicContact CE-CD2 3.99Å; M194-L227 HydrophobicContact CE-CG 3.98Å; M194-L227 HydrophobicContact SD-CD2 4.49Å; I195-L227 HydrophobicContact CD1-CD2 4.01Å; V205-L227 HydrophobicContact CB-CD1 4.41Å; V205-L227 HydrophobicContact CG2-CD1 4.17Å; V205-L227 HydrophobicContact CG2-CD2 4.19Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 3.36Å; H224-L227 WeakPolarHBondContact O-CB 3.38Å; H224-L227 PolarHBondContact O-N 3.15Å; H224-L227 VanDerWaalsContact O-N 3.08Å; L227-F230 PolarHBondContact O-N 3.29Å; L227-Q231 PolarHBondContact O-N 2.84Å; L227-I238 HydrophobicContact CD1-CG2 4.28Å; L227-I238 HydrophobicContact CD2-CB 4.08Å; L227-I238 HydrophobicContact CD2-CD1 4.36Å; L227-I238 HydrophobicContact CD2-CG2 4.14Å; L227-M240 HydrophobicContact CD1-CG 3.7Å; L227-M240 HydrophobicContact CD1-SD 3.97Å
228D98.9Very high98.8Very high71 Ų7150.5 Ų50.538%0.3829%0.287SS..Hα-helixtrans-60.1-47172.7-83.1-5.2000111.5H224 D225 F230 Q231 A232 R266H224-D228 IonicContact CE1-OD1 3.19Å; H224-D228 IonicContact CE1-OD2 2.69Å; H224-D228 PolarHBondContact CE1-OD2 2.88Å; H224-D228 IonicContact ND1-OD2 3.74Å; H224-D228 PolarHBondContact O-N 3.02Å; D225-D228 PolarHBondContact O-N 2.87Å; D228-F230 PolarHBondContact O-N 2.91Å; D228-Q231 PolarHBondContact O-N 2.67Å; D228-A232 PolarHBondContact O-N 3.45Å; D228-R266 IonicContact OD1-CZ 3.68Å; D228-R266 IonicContact OD1-NE 3.79Å; D228-R266 PolarHBondContact OD1-NE 2.98Å; D228-R266 IonicContact OD1-NH2 3.72Å; D228-R266 PolarHBondContact OD1-NH2 2.92Å
229K98.9Very high98.8Very high127 Ų12751.5 Ų51.555%0.55229%0.292SS*.Hα-helixtrans-61.6-43.6174177165.817345.30112D225 A226 Q231 A232 D233D225-K229 PolarHBondContact O-N 2.78Å; A226-K229 PolarHBondContact O-N 2.63Å; K229-Q231 PolarHBondContact O-N 3.45Å; K229-A232 WeakPolarHBondContact O-CB 3.26Å; K229-A232 PolarHBondContact O-N 3.29Å; K229-A232 VanDerWaalsContact O-N 3.17Å; K229-D233 WeakPolarHBondContact CE-OD2 3.26Å; K229-D233 IonicContact NZ-OD1 2.85Å; K229-D233 PolarHBondContact NZ-OD1 2.81Å; K229-D233 IonicContact NZ-OD2 3.4Å; K229-D233 PolarHBondContact NZ-OD2 2.98Å; K229-D233 PolarHBondContact O-N 2.86Å
230F98.9Very high98.8Very high24 Ų2447.5 Ų47.511%0.10528%0.275CS..Hα-helixtrans-61.8-42.5-179.6-174.9-109.4000112.4I195 C198 A226 L227 D228 A232 D233 T234 I236 I238I195-F230 HydrophobicContact CD1-CB 3.66Å; I195-F230 HydrophobicContact CD1-CD2 4.11Å; I195-F230 HydrophobicContact CD1-CG 3.89Å; I195-F230 HydrophobicContact CG2-CD2 3.63Å; I195-F230 HydrophobicContact CG2-CE2 3.99Å; I195-F230 HydrophobicContact CG2-CG 4.48Å; C198-F230 HydrophobicContact CB-CE1 4.03Å; C198-F230 HydrophobicContact CB-CZ 4.03Å; A226-F230 WeakPolarHBondContact O-CB 3.45Å; A226-F230 PolarHBondContact O-N 3.37Å; L227-F230 PolarHBondContact O-N 3.29Å; D228-F230 PolarHBondContact O-N 2.91Å; F230-A232 VanDerWaalsContact C-N 3.35Å; F230-D233 PolarHBondContact O-N 3.43Å; F230-T234 HydrophobicContact CD2-CG2 4.02Å; F230-T234 HydrophobicContact CE2-CG2 3.82Å; F230-T234 HydrophobicContact CZ-CG2 4.2Å; F230-T234 WeakPolarHBondContact O-CB 3.49Å; F230-T234 WeakPolarHBondContact O-CG2 3.41Å; F230-T234 PolarHBondContact O-N 3.37Å; F230-T234 PolarHBondContact O-OG1 3.3Å; F230-I236 HydrophobicContact CD1-CB 4.34Å; F230-I236 HydrophobicContact CE1-CB 3.83Å; F230-I236 HydrophobicContact CE1-CD1 4.05Å; F230-I236 HydrophobicContact CE1-CG2 4.04Å; F230-I236 HydrophobicContact CZ-CD1 4.08Å; F230-I238 HydrophobicContact CD1-CD1 4.03Å; F230-I238 HydrophobicContact CE1-CD1 3.76Å
231Q98.8Very high98.8Very high64 Ų6447.5 Ų47.530%0.29928%0.275SS..Hα-helixtrans-64.1-40.6173.9-174.7179.1100111.4L227 D228 K229 D233 G235 I236 D237L227-Q231 PolarHBondContact O-N 2.84Å; D228-Q231 PolarHBondContact O-N 2.67Å; K229-Q231 PolarHBondContact O-N 3.45Å; Q231-D233 VanDerWaalsContact C-N 3.31Å; Q231-D233 PolarHBondContact O-N 3.27Å; Q231-G235 WeakPolarHBondContact O-CA 3.14Å; Q231-G235 PolarHBondContact O-N 3.14Å; Q231-I236 WeakPolarHBondContact CA-O 3.38Å; Q231-I236 VanDerWaalsContact CB-O 3.31Å; Q231-I236 WeakPolarHBondContact CB-O 3.34Å; Q231-D237 HydrophobicContact CG-CB 4.43Å; Q231-D237 PolarHBondContact OE1-OD1 3.18Å
232A98.7Very high98.8Very high83 Ų8343.4 Ų43.469%0.68626%0.256SS*.Hα-helixtrans-61.8-39.3177.700000112.4D228 K229 F230D228-A232 PolarHBondContact O-N 3.45Å; K229-A232 WeakPolarHBondContact O-CB 3.26Å; K229-A232 PolarHBondContact O-N 3.29Å; K229-A232 VanDerWaalsContact O-N 3.17Å; F230-A232 VanDerWaalsContact C-N 3.35Å
233D98.6Very high98.8Very high109 Ų10940.7 Ų40.758%0.58324%0.238SC*.Hα-helixtrans-80.7-30.3-177.2-65.3-22.7000113K229 F230 Q231K229-D233 WeakPolarHBondContact CE-OD2 3.26Å; K229-D233 IonicContact NZ-OD1 2.85Å; K229-D233 PolarHBondContact NZ-OD1 2.81Å; K229-D233 IonicContact NZ-OD2 3.4Å; K229-D233 PolarHBondContact NZ-OD2 2.98Å; K229-D233 PolarHBondContact O-N 2.86Å; F230-D233 PolarHBondContact O-N 3.43Å; Q231-D233 VanDerWaalsContact C-N 3.31Å; Q231-D233 PolarHBondContact O-N 3.27Å
234T98.6Very high98.8Very high70 Ų7040.6 Ų40.643%0.42924%0.237SC..Hα-helixtrans-119.8-17-169.768.90000114.9F230 I236F230-T234 HydrophobicContact CD2-CG2 4.02Å; F230-T234 HydrophobicContact CE2-CG2 3.82Å; F230-T234 HydrophobicContact CZ-CG2 4.2Å; F230-T234 WeakPolarHBondContact O-CB 3.49Å; F230-T234 WeakPolarHBondContact O-CG2 3.41Å; F230-T234 PolarHBondContact O-N 3.37Å; F230-T234 PolarHBondContact O-OG1 3.3Å; T234-I236 PolarHBondContact O-N 3.02Å; T234-I236 WeakPolarHBondContact OG1-CB 3.31Å; T234-I236 WeakPolarHBondContact OG1-CG1 3.42Å; T234-I236 PolarHBondContact OG1-N 3.18Å; T234-I236 VanDerWaalsContact OG1-N 3.1Å
235G98.4Very high98.8Very high58 Ų5840.5 Ų40.560%0.59824%0.238SC*.  trans75.30.9-168.500000114.8Q231 D237Q231-G235 WeakPolarHBondContact O-CA 3.14Å; Q231-G235 PolarHBondContact O-N 3.14Å; G235-D237 PolarHBondContact O-N 3.48Å
236I98.7Very high98.8Very high34 Ų3436.3 Ų36.317%0.17422%0.216CC..  trans-84.6114.7-177.5-56.7171000109.9E200 F230 Q231 T234 I238E200-I236 HydrophobicContact CB-CD1 4.26Å; F230-I236 HydrophobicContact CD1-CB 4.34Å; F230-I236 HydrophobicContact CE1-CB 3.83Å; F230-I236 HydrophobicContact CE1-CD1 4.05Å; F230-I236 HydrophobicContact CE1-CG2 4.04Å; F230-I236 HydrophobicContact CZ-CD1 4.08Å; Q231-I236 WeakPolarHBondContact CA-O 3.38Å; Q231-I236 VanDerWaalsContact CB-O 3.31Å; Q231-I236 WeakPolarHBondContact CB-O 3.34Å; T234-I236 PolarHBondContact O-N 3.02Å; T234-I236 WeakPolarHBondContact OG1-CB 3.31Å; T234-I236 WeakPolarHBondContact OG1-CG1 3.42Å; T234-I236 PolarHBondContact OG1-N 3.18Å; T234-I236 VanDerWaalsContact OG1-N 3.1Å; I236-I238 HydrophobicContact CG2-CD1 4.11Å; I236-I238 HydrophobicContact CG2-CG1 3.89Å
237D98.8Very high98.8Very high63 Ų6335.5 Ų35.534%0.33721%0.209SC..  trans-90.7122.5175.4-167.311.4000111.4R144 Q231 G235 R266R144-D237 VanDerWaalsContact CZ-O 3.28Å; R144-D237 PolarHBondContact NH1-O 3.07Å; R144-D237 PolarHBondContact NH2-O 3.08Å; Q231-D237 HydrophobicContact CG-CB 4.43Å; Q231-D237 PolarHBondContact OE1-OD1 3.18Å; G235-D237 PolarHBondContact O-N 3.48Å; D237-R266 IonicContact OD1-CZ 2.74Å; D237-R266 IonicContact OD1-NH1 3.39Å; D237-R266 PolarHBondContact OD1-NH1 2.86Å
238I98.9Very high98.8Very high3 Ų335.4 Ų35.42%0.01521%0.209CC..  trans-125.5128.6-176.7-60.8-179.7000109.5C198 T202 V205 L227 F230 I236 R266C198-I238 HydrophobicContact CB-CD1 3.75Å; T202-I238 HydrophobicContact CG2-CD1 4.22Å; T202-I238 HydrophobicContact CG2-CG2 4.26Å; V205-I238 HydrophobicContact CG2-CG2 3.99Å; L227-I238 HydrophobicContact CD1-CG2 4.28Å; L227-I238 HydrophobicContact CD2-CB 4.08Å; L227-I238 HydrophobicContact CD2-CD1 4.36Å; L227-I238 HydrophobicContact CD2-CG2 4.14Å; F230-I238 HydrophobicContact CD1-CD1 4.03Å; F230-I238 HydrophobicContact CE1-CD1 3.76Å; I236-I238 HydrophobicContact CG2-CD1 4.11Å; I236-I238 HydrophobicContact CG2-CG1 3.89Å; I238-R266 PolarHBondContact O-NH1 2.9Å
239D98.9Very high98.8Very high25 Ų2532 Ų3213%0.13419%0.191CC..  trans-86.7165.4176.7-77.8-25.1000112.3R140 G204 V205 K268R140-D239 IonicContact CZ-OD2 3.16Å; R140-D239 IonicContact NE-OD2 2.63Å; R140-D239 PolarHBondContact NE-OD2 3.41Å; R140-D239 IonicContact NH2-OD2 3.95Å; R140-D239 PolarHBondContact NH2-OD2 3.07Å; G204-D239 CarbonylContact C-O 2.99Å; G204-D239 WeakPolarHBondContact CA-O 3.44Å; V205-D239 PolarHBondContact N-O 3.11Å; D239-K268 HydrophobicContact CB-CG 3.88Å; D239-K268 WeakPolarHBondContact OD1-CE 3.29Å; D239-K268 VanDerWaalsContact OD1-CG 3.31Å; D239-K268 WeakPolarHBondContact OD1-CG 3.4Å; D239-K268 WeakPolarHBondContact OD2-CG 3.5Å
240M99Very high98.8Very high0 Ų026 Ų260%016%0.164CC..EExtended strand (participates in β ladder)trans-120.2142172.1-59.4170.976.300111.8V205 P207 P220 L223 H224 L227 I242 R266 V267 K268V205-M240 HydrophobicContact CB-CG 4.44Å; V205-M240 WeakPolarHBondContact O-CA 3.16Å; P207-M240 HydrophobicContact CG-CE 3.39Å; P220-M240 HydrophobicContact CB-CE 3.99Å; L223-M240 HydrophobicContact CB-CE 4.08Å; H224-M240 HydrophobicContact CB-SD 3.98Å; L227-M240 HydrophobicContact CD1-CG 3.7Å; L227-M240 HydrophobicContact CD1-SD 3.97Å; M240-I242 HydrophobicContact CB-CD1 4.38Å; M240-I242 HydrophobicContact CE-CD1 4.09Å; M240-R266 HydrophobicContact CG-CB 4.17Å; M240-R266 PolarHBondContact N-O 3.22Å; M240-R266 HydrophobicContact SD-CB 4.17Å; M240-V267 HydrophobicContact CB-CG2 4.18Å; M240-V267 HydrophobicContact SD-CG2 4.47Å; M240-K268 PolarHBondContact O-N 3.36Å
241H99Very high98.8Very high0 Ų024.9 Ų24.90%016%0.159CC..EExtended strand (participates in β ladder)trans-116.4128.7158.9172.799.2000108.2M137 W166 V205 V206 P207 S269 S271M137-H241 HydrophobicContact CE-CB 3.39Å; W166-H241 AromaticContact CH2-CD2 3.55Å; W166-H241 AromaticContact CH2-NE2 3.94Å; W166-H241 AromaticContact CZ2-CD2 3.45Å; W166-H241 VanDerWaalsContact CZ2-CD2 3.45Å; W166-H241 WeakPolarHBondContact CZ2-CD2 3.25Å; W166-H241 AromaticContact CZ2-NE2 3.72Å; V205-H241 PolarHBondContact O-N 2.75Å; V205-H241 VanDerWaalsContact O-N 3.09Å; V206-H241 WeakPolarHBondContact CA-O 3.5Å; V206-H241 HydrophobicContact CG2-CB 4.39Å; P207-H241 WeakPolarHBondContact CD-O 3.37Å; H241-S269 WeakPolarHBondContact CA-O 3.12Å; H241-S269 PolarHBondContact ND1-OG 3.15Å; H241-S271 PolarHBondContact NE2-OG 3.35Å
242I99Very high98.8Very high0 Ų022.5 Ų22.50%015%0.15CC..EExtended strand (participates in β ladder)trans-94.4118.9177.6-48.2-54.5000109.4P207 F209 P220 M240 A244 W260 V267 S269 I270 S271P207-I242 HydrophobicContact CB-CD1 4.33Å; P207-I242 HydrophobicContact CG-CD1 3.75Å; F209-I242 HydrophobicContact CB-CG2 3.53Å; F209-I242 HydrophobicContact CG-CG2 4.38Å; P220-I242 HydrophobicContact CB-CD1 3.87Å; P220-I242 HydrophobicContact CG-CD1 3.81Å; P220-I242 HydrophobicContact CG-CG1 4.46Å; P220-I242 HydrophobicContact CG-CG2 4.48Å; M240-I242 HydrophobicContact CB-CD1 4.38Å; M240-I242 HydrophobicContact CE-CD1 4.09Å; I242-A244 HydrophobicContact CG2-CB 4.16Å; I242-A244 PolarHBondContact O-N 3.3Å; I242-A244 VanDerWaalsContact O-N 3.16Å; I242-W260 HydrophobicContact CG2-CE3 4.07Å; I242-W260 HydrophobicContact CG2-CZ3 4.27Å; I242-V267 HydrophobicContact CD1-CG2 3.93Å; I242-V267 HydrophobicContact CG1-CG1 3.81Å; I242-V267 HydrophobicContact CG1-CG2 3.94Å; I242-S269 PolarHBondContact N-O 2.67Å; I242-S269 VanDerWaalsContact N-O 3.08Å; I242-I270 HydrophobicContact CB-CG1 4.2Å; I242-I270 HydrophobicContact CB-CG2 4.44Å; I242-I270 HydrophobicContact CG1-CG1 4.31Å; I242-S271 PolarHBondContact O-N 2.81Å
243D98.9Very high98.8Very high4 Ų419.5 Ų19.52%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-7991.8164.9-176.2-18.8000108W166 V206 P207 F209 A245W166-D243 HydrophobicContact CZ2-CB 4.39Å; W166-D243 PolarHBondContact NE1-OD2 3.46Å; V206-D243 HydrophobicContact CG1-CB 4.13Å; P207-D243 PolarHBondContact O-N 2.95Å; P207-D243 VanDerWaalsContact O-N 3.14Å; F209-D243 PolarHBondContact N-O 3.37Å; D243-A245 VanDerWaalsContact C-N 3.34Å; D243-A245 VanDerWaalsContact OD1-CB 3.23Å; D243-A245 WeakPolarHBondContact OD1-CB 3.43Å; D243-A245 PolarHBondContact OD1-N 3.02Å; D243-A245 VanDerWaalsContact OD1-N 3.14Å
244A98.9Very high98.8Very high0 Ų015.5 Ų15.50%010%0.101CC..  trans-101.234.6179.200000111F209 I242 S246 G247 G248 W260 I270 S271 A272F209-A244 HydrophobicContact CB-CB 4.26Å; F209-A244 HydrophobicContact CD1-CB 4.37Å; I242-A244 HydrophobicContact CG2-CB 4.16Å; I242-A244 PolarHBondContact O-N 3.3Å; I242-A244 VanDerWaalsContact O-N 3.16Å; A244-S246 CarbonylContact O-C 3.59Å; A244-S246 PolarHBondContact O-N 3.07Å; A244-G247 PolarHBondContact O-N 3.11Å; A244-G248 WeakPolarHBondContact O-CA 3.48Å; A244-G248 PolarHBondContact O-N 3.3Å; A244-W260 HydrophobicContact CB-CE3 4.49Å; A244-W260 HydrophobicContact CB-CH2 4.01Å; A244-W260 HydrophobicContact CB-CZ3 3.62Å; A244-I270 HydrophobicContact CB-CG2 3.85Å; A244-S271 CarbonylContact C-O 3.02Å; A244-S271 VanDerWaalsContact CA-O 3.23Å; A244-S271 WeakPolarHBondContact CA-O 3.4Å; A244-S271 WeakPolarHBondContact CB-O 3.43Å; A244-S271 PolarHBondContact N-O 2.93Å; A244-A272 WeakPolarHBondContact O-CB 3.45Å
245A98.6Very high98.8Very high7 Ų712.8 Ų12.86%0.0589%0.085CC..THydrogen-bonded Turntrans-43.3-44-174.800000113.9S126 D243 S273 K276S126-A245 WeakPolarHBondContact OG-CB 3.35Å; D243-A245 VanDerWaalsContact C-N 3.34Å; D243-A245 VanDerWaalsContact OD1-CB 3.23Å; D243-A245 WeakPolarHBondContact OD1-CB 3.43Å; D243-A245 PolarHBondContact OD1-N 3.02Å; D243-A245 VanDerWaalsContact OD1-N 3.14Å; A245-S273 WeakPolarHBondContact O-CB 3.3Å; A245-S273 PolarHBondContact O-N 3.25Å; A245-K276 HydrophobicContact CB-CD 4.46Å
246S98.4Very high98.8Very high2 Ų213 Ų131%0.0148%0.076CC..THydrogen-bonded Turntrans-105.5-51.5172.943.50000112.3A244 G248 F249A244-S246 CarbonylContact O-C 3.59Å; A244-S246 PolarHBondContact O-N 3.07Å; S246-G248 PolarHBondContact O-N 3.48Å; S246-G248 VanDerWaalsContact O-N 3.11Å; S246-F249 PolarHBondContact O-N 2.79Å
247G98.7Very high98.8Very high0 Ų018.4 Ų18.40%011%0.105CC..G310 helixtrans-60.1-24.5-173.200000114.9F209 A244 F249 L250 A251F209-G247 VanDerWaalsContact O-CA 3.25Å; F209-G247 WeakPolarHBondContact O-CA 3.4Å; F209-G247 PolarHBondContact O-N 3.43Å; F209-G247 VanDerWaalsContact O-N 3.17Å; A244-G247 PolarHBondContact O-N 3.11Å; G247-F249 PolarHBondContact O-N 2.79Å; G247-F249 VanDerWaalsContact O-N 3.15Å; G247-L250 PolarHBondContact O-N 2.72Å; G247-A251 PolarHBondContact O-N 2.73Å; G247-A251 VanDerWaalsContact O-N 3.11Å
248G98.9Very high98.8Very high0 Ų016.8 Ų16.80%010%0.096CC..G310 helixtrans-64.7-18.1-178.200000114.8W108 A244 S246W108-G248 PolarHBondContact NE1-O 3.34Å; A244-G248 WeakPolarHBondContact O-CA 3.48Å; A244-G248 PolarHBondContact O-N 3.3Å; S246-G248 PolarHBondContact O-N 3.48Å; S246-G248 VanDerWaalsContact O-N 3.11Å
249F98.9Very high98.8Very high0 Ų018.3 Ų18.30%011%0.106CC..G310 helixtrans-117.218.7174.3-67.6-71.8000113.1V104 L107 W108 S246 G247 F253 A272 F277 G278 W286 F331 Q343V104-F249 HydrophobicContact CG2-CE1 4.3Å; V104-F249 HydrophobicContact CG2-CZ 4.2Å; L107-F249 HydrophobicContact CD2-CD1 4.07Å; L107-F249 HydrophobicContact CD2-CE1 4.22Å; W108-F249 HydrophobicContact CZ2-CZ 4.48Å; S246-F249 PolarHBondContact O-N 2.79Å; G247-F249 PolarHBondContact O-N 2.79Å; G247-F249 VanDerWaalsContact O-N 3.15Å; F249-F253 VanDerWaalsContact O-CD2 3.28Å; F249-F253 WeakPolarHBondContact O-CD2 3.23Å; F249-F253 WeakPolarHBondContact O-CE2 3.27Å; F249-A272 HydrophobicContact CD2-CB 4.01Å; F249-A272 HydrophobicContact CE2-CB 3.64Å; F249-F277 HydrophobicContact CB-CB 4.33Å; F249-G278 VanDerWaalsContact CG-CA 3.42Å; F249-W286 AromaticContact CZ-CD1 3.8Å; F249-F331 AromaticContact CE1-CE1 3.91Å; F249-F331 HydrophobicContact CE1-CE1 3.91Å; F249-F331 AromaticContact CE1-CZ 3.94Å; F249-F331 HydrophobicContact CE1-CZ 3.94Å; F249-F331 HydrophobicContact CZ-CZ 4.32Å; F249-Q343 PolarHBondContact O-NE2 2.79Å
250L98.9Very high98.8Very high0 Ų017.1 Ų17.10%010%0.1CC..THydrogen-bonded Turntrans-118.4-67177-71165.8000110.6G247 P252 F253 V254 F277 Q343 Y347 I375 P376G247-L250 PolarHBondContact O-N 2.72Å; L250-P252 VanDerWaalsContact C-CD 3.4Å; L250-P252 VanDerWaalsContact C-N 3.33Å; L250-F253 PolarHBondContact O-N 2.91Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.42Å; L250-F277 HydrophobicContact CD1-CB 4.22Å; L250-F277 HydrophobicContact CD1-CD1 4.24Å; L250-F277 HydrophobicContact CD1-CD2 3.78Å; L250-F277 HydrophobicContact CD1-CE2 4.16Å; L250-F277 HydrophobicContact CD1-CG 3.81Å; L250-F277 HydrophobicContact CD2-CB 4.02Å; L250-F277 HydrophobicContact CD2-CD1 3.76Å; L250-F277 HydrophobicContact CD2-CE1 4.4Å; L250-F277 HydrophobicContact CD2-CG 3.9Å; L250-F277 HydrophobicContact CG-CB 3.83Å; L250-F277 HydrophobicContact CG-CD1 4.26Å; L250-F277 HydrophobicContact CG-CD2 4.33Å; L250-F277 HydrophobicContact CG-CG 3.89Å; L250-Q343 HydrophobicContact CD2-CB 4.02Å; L250-Q343 HydrophobicContact CD2-CG 3.87Å; L250-Y347 HydrophobicContact CD2-CE2 3.8Å; L250-I375 HydrophobicContact CD1-CB 3.68Å; L250-I375 HydrophobicContact CD1-CG2 3.59Å; L250-P376 HydrophobicContact CD2-CG 4.39Å
251A98.8Very high98.8Very high0 Ų017.2 Ų17.20%010%0.1CC..Hα-helixtrans-54.2-39.8-173.300000113.9F209 G247 F253 A255F209-A251 HydrophobicContact CE1-CB 3.5Å; F209-A251 HydrophobicContact CZ-CB 3.67Å; G247-A251 PolarHBondContact O-N 2.73Å; G247-A251 VanDerWaalsContact O-N 3.11Å; A251-F253 PolarHBondContact O-N 2.96Å; A251-A255 CarbonylContact O-C 3.58Å; A251-A255 WeakPolarHBondContact O-CA 3.46Å; A251-A255 PolarHBondContact O-N 2.89Å
252P98.9Very high98.8Very high14 Ų1417.4 Ų17.49%0.09110%0.101CC..Hα-helixtrans-57.3-18.6176.9-28.638000115.6L107 L250 W260L107-P252 HydrophobicContact CD1-CB 3.53Å; L107-P252 HydrophobicContact CD1-CG 4.34Å; L107-P252 HydrophobicContact CD2-CB 4.29Å; L107-P252 HydrophobicContact CD2-CG 4.31Å; L107-P252 HydrophobicContact CG-CB 3.73Å; L107-P252 HydrophobicContact CG-CG 3.98Å; L250-P252 VanDerWaalsContact C-CD 3.4Å; L250-P252 VanDerWaalsContact C-N 3.33Å; P252-W260 HydrophobicContact CG-CZ2 3.83Å
253F98.9Very high98.8Very high20 Ų2021.4 Ų21.49%0.08812%0.116CC..Hα-helixtrans-108.3-40.9-176.1-51-67.4000112.8L107 F249 L250 A251 R336 Y339 Q343L107-F253 HydrophobicContact CD1-CE1 3.69Å; L107-F253 HydrophobicContact CD1-CZ 3.78Å; L107-F253 HydrophobicContact CD2-CE1 4.43Å; L107-F253 HydrophobicContact CD2-CE2 4.18Å; L107-F253 HydrophobicContact CD2-CZ 3.67Å; L107-F253 HydrophobicContact CG-CZ 4.37Å; F249-F253 VanDerWaalsContact O-CD2 3.28Å; F249-F253 WeakPolarHBondContact O-CD2 3.23Å; F249-F253 WeakPolarHBondContact O-CE2 3.27Å; L250-F253 PolarHBondContact O-N 2.91Å; A251-F253 PolarHBondContact O-N 2.96Å; F253-R336 HydrophobicContact CE1-CG 4.29Å; F253-Y339 HydrophobicContact CD2-CD1 4.17Å; F253-Y339 HydrophobicContact CD2-CG 4.35Å; F253-Y339 HydrophobicContact CE1-CG 4.04Å; F253-Y339 AromaticContact CE2-CD1 3.58Å; F253-Y339 HydrophobicContact CE2-CD1 3.58Å; F253-Y339 HydrophobicContact CE2-CE1 4.37Å; F253-Y339 AromaticContact CE2-CG 3.85Å; F253-Y339 HydrophobicContact CE2-CG 3.85Å; F253-Y339 AromaticContact CZ-CD1 3.82Å; F253-Y339 HydrophobicContact CZ-CD1 3.82Å; F253-Y339 HydrophobicContact CZ-CD2 4.28Å; F253-Y339 AromaticContact CZ-CG 3.67Å; F253-Y339 HydrophobicContact CZ-CG 3.67Å; F253-Q343 HydrophobicContact CD2-CG 4.38Å
254V98.8Very high98.8Very high26 Ų2621.6 Ų21.616%0.15812%0.117CC..Hα-helixtrans-105.8-18.4-173.1-60.20000114.3L250 Q343 Y347 P371L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.42Å; V254-Q343 HydrophobicContact CG1-CB 3.77Å; V254-Y347 HydrophobicContact CB-CD2 4.48Å; V254-Y347 HydrophobicContact CB-CE2 4.24Å; V254-Y347 HydrophobicContact CG1-CD2 4.12Å; V254-Y347 HydrophobicContact CG1-CE2 4.1Å; V254-Y347 HydrophobicContact CG2-CD2 4.15Å; V254-Y347 HydrophobicContact CG2-CE2 3.46Å; V254-Y347 VanDerWaalsContact CG2-CE2 3.46Å; V254-P371 HydrophobicContact CB-CB 4.13Å; V254-P371 HydrophobicContact CG2-CB 3.88Å
255A98.7Very high98.8Very high13 Ų1325.5 Ų25.511%0.10714%0.142CC..  trans-144.955.8-17900000110.8A251 D257 I258 P371A251-A255 CarbonylContact O-C 3.58Å; A251-A255 WeakPolarHBondContact O-CA 3.46Å; A251-A255 PolarHBondContact O-N 2.89Å; A255-D257 PolarHBondContact O-N 2.76Å; A255-D257 VanDerWaalsContact O-N 3.11Å; A255-I258 HydrophobicContact CB-CD1 3.55Å; A255-I258 HydrophobicContact CB-CG1 4Å; A255-I258 PolarHBondContact O-N 2.88Å; A255-I258 VanDerWaalsContact O-N 3.1Å; A255-P371 WeakPolarHBondContact CB-O 3.42Å
256P98.6Very high98.8Very high62 Ų6225.8 Ų25.840%0.40314%0.142SC..THydrogen-bonded Turntrans-62.8-22.5-171.426.8-36.1000113.6I258 R263P256-I258 VanDerWaalsContact C-N 3.31Å; P256-I258 PolarHBondContact O-N 3.45Å; P256-R263 PolarHBondContact O-NH1 3.29Å; P256-R263 PolarHBondContact O-NH2 3.49Å
257D98.6Very high98.8Very high147 Ų14725.7 Ų25.779%0.78614%0.141SC*.THydrogen-bonded Turntrans-76.2-16-179.9-59.7-38.1000113.3A255 V259A255-D257 PolarHBondContact O-N 2.76Å; A255-D257 VanDerWaalsContact O-N 3.11Å; D257-V259 PolarHBondContact O-N 2.99Å; D257-V259 VanDerWaalsContact O-N 3.15Å
258I98.8Very high98.8Very high29 Ų2928.1 Ų28.115%0.14915%0.152CC..SBendtrans-65.5118170.4-61175.3000107.8F209 Y217 F219 A255 P256 W260 R263F209-I258 HydrophobicContact CE2-CG2 4.18Å; F209-I258 HydrophobicContact CZ-CG2 4.14Å; Y217-I258 HydrophobicContact CD2-CD1 4.41Å; Y217-I258 HydrophobicContact CE2-CD1 4.41Å; F219-I258 HydrophobicContact CD1-CG2 4.06Å; F219-I258 HydrophobicContact CE1-CD1 4.16Å; F219-I258 HydrophobicContact CE1-CG2 4.3Å; A255-I258 HydrophobicContact CB-CD1 3.55Å; A255-I258 HydrophobicContact CB-CG1 4Å; A255-I258 PolarHBondContact O-N 2.88Å; A255-I258 VanDerWaalsContact O-N 3.1Å; P256-I258 VanDerWaalsContact C-N 3.31Å; P256-I258 PolarHBondContact O-N 3.45Å; I258-W260 HydrophobicContact CG2-CB 4.24Å; I258-W260 VanDerWaalsContact O-CD1 3.24Å; I258-W260 PolarHBondContact O-N 2.79Å; I258-R263 PolarHBondContact O-NH2 3.47Å
259V98.9Very high98.8Very high36 Ų3628.1 Ų28.122%0.21815%0.152CC..  trans-88.395.8179-1700000109.1D257 R263 L264D257-V259 PolarHBondContact O-N 2.99Å; D257-V259 VanDerWaalsContact O-N 3.15Å; V259-R263 HydrophobicContact CG1-CB 3.78Å; V259-L264 HydrophobicContact CG1-CD2 3.74Å; V259-L264 HydrophobicContact CG1-CG 3.97Å
260W98.9Very high98.9Very high0 Ų028.1 Ų28.10%015%0.152CC..  trans-126-17-174.869.1-93.1000113.9W108 F209 P220 I242 A244 P252 I258 I270W108-W260 AromaticContact CD1-CH2 3.57Å; W108-W260 AromaticContact CD1-CZ2 3.7Å; W108-W260 HydrophobicContact CD2-CH2 4.28Å; W108-W260 AromaticContact CG-CH2 3.98Å; W108-W260 HydrophobicContact CG-CH2 3.98Å; W108-W260 HydrophobicContact CG-CZ2 4.42Å; W108-W260 AromaticContact NE1-CH2 3.65Å; W108-W260 AromaticContact NE1-CZ2 4Å; F209-W260 AromaticContact CD1-CD2 3.76Å; F209-W260 HydrophobicContact CD1-CD2 3.76Å; F209-W260 AromaticContact CD1-CE3 3.77Å; F209-W260 HydrophobicContact CD1-CE3 3.77Å; F209-W260 HydrophobicContact CD1-CG 4.14Å; F209-W260 HydrophobicContact CD1-CZ3 4.23Å; F209-W260 HydrophobicContact CD2-CB 4.04Å; F209-W260 HydrophobicContact CD2-CG 4.4Å; F209-W260 HydrophobicContact CE1-CB 4.22Å; F209-W260 AromaticContact CE1-CD1 3.73Å; F209-W260 AromaticContact CE1-CD2 3.51Å; F209-W260 HydrophobicContact CE1-CD2 3.51Å; F209-W260 AromaticContact CE1-CE2 3.7Å; F209-W260 HydrophobicContact CE1-CE3 4.03Å; F209-W260 AromaticContact CE1-CG 3.58Å; F209-W260 HydrophobicContact CE1-CG 3.58Å; F209-W260 HydrophobicContact CE1-CZ2 4.37Å; F209-W260 AromaticContact CE1-NE1 3.83Å; F209-W260 HydrophobicContact CE2-CB 3.61Å; F209-W260 HydrophobicContact CE2-CD2 4.49Å; F209-W260 AromaticContact CE2-CG 3.88Å; F209-W260 HydrophobicContact CE2-CG 3.88Å; F209-W260 HydrophobicContact CG-CD2 4.36Å; F209-W260 HydrophobicContact CG-CE3 4.19Å; F209-W260 HydrophobicContact CZ-CB 3.72Å; F209-W260 AromaticContact CZ-CD1 3.52Å; F209-W260 AromaticContact CZ-CD2 3.92Å; F209-W260 HydrophobicContact CZ-CD2 3.92Å; F209-W260 AromaticContact CZ-CG 3.43Å; F209-W260 HydrophobicContact CZ-CG 3.43Å; F209-W260 VanDerWaalsContact CZ-CG 3.43Å; P220-W260 HydrophobicContact CG-CB 3.8Å; I242-W260 HydrophobicContact CG2-CE3 4.07Å; I242-W260 HydrophobicContact CG2-CZ3 4.27Å; A244-W260 HydrophobicContact CB-CE3 4.49Å; A244-W260 HydrophobicContact CB-CH2 4.01Å; A244-W260 HydrophobicContact CB-CZ3 3.62Å; P252-W260 HydrophobicContact CG-CZ2 3.83Å; I258-W260 HydrophobicContact CG2-CB 4.24Å; I258-W260 VanDerWaalsContact O-CD1 3.24Å; I258-W260 PolarHBondContact O-N 2.79Å; W260-I270 HydrophobicContact CH2-CD1 4.43Å; W260-I270 HydrophobicContact CH2-CG2 4.11Å; W260-I270 HydrophobicContact CZ3-CD1 3.93Å; W260-I270 HydrophobicContact CZ3-CG2 3.7Å
261D98.9Very high98.9Very high1 Ų128.1 Ų28.11%0.00515%0.152CC..SBendtrans-104.3-152.7-164.760.726.9000112.7W108 H109 R263 L264 I270W108-D261 HydrophobicContact CB-CB 4.2Å; W108-D261 WeakPolarHBondContact O-CB 3.24Å; H109-D261 IonicContact CE1-OD2 3.61Å; H109-D261 IonicContact CG-OD2 3.85Å; H109-D261 IonicContact ND1-OD1 3.58Å; H109-D261 IonicContact ND1-OD2 3.65Å; H109-D261 PolarHBondContact ND1-OD2 2.82Å; D261-R263 PolarHBondContact O-N 3.34Å; D261-R263 VanDerWaalsContact OD1-CB 3.31Å; D261-R263 WeakPolarHBondContact OD1-CB 3.32Å; D261-R263 VanDerWaalsContact OD1-CG 3.3Å; D261-R263 WeakPolarHBondContact OD1-CG 3.49Å; D261-R263 IonicContact OD1-CZ 3.18Å; D261-R263 PolarHBondContact OD1-N 2.85Å; D261-R263 IonicContact OD1-NE 2.78Å; D261-R263 PolarHBondContact OD1-NE 2.88Å; D261-R263 IonicContact OD1-NH2 3.78Å; D261-R263 IonicContact OD2-CZ 2.74Å; D261-R263 IonicContact OD2-NE 2.73Å; D261-R263 PolarHBondContact OD2-NE 3.49Å; D261-R263 IonicContact OD2-NH2 3.64Å; D261-R263 PolarHBondContact OD2-NH2 3.43Å; D261-L264 WeakPolarHBondContact O-CB 3.35Å; D261-L264 PolarHBondContact O-N 3.13Å; D261-I270 HydrophobicContact CB-CD1 3.86Å
262F98.9Very high98.9Very high4 Ų428.1 Ų28.12%0.01815%0.152CC..THydrogen-bonded Turntrans-65.9-4.4-178.7-65.1-61.2000114.6W108 H109 A110 L264 V267 I270 I288 R290W108-F262 HydrophobicContact CB-CD2 3.97Å; W108-F262 HydrophobicContact CB-CE2 4.2Å; W108-F262 HydrophobicContact CE3-CE2 4.38Å; W108-F262 WeakPolarHBondContact O-CB 3.45Å; W108-F262 VanDerWaalsContact O-CD2 3.3Å; W108-F262 WeakPolarHBondContact O-CD2 3.45Å; W108-F262 PolarHBondContact O-N 2.85Å; H109-F262 WeakPolarHBondContact O-CB 3.46Å; A110-F262 HydrophobicContact CB-CD2 3.63Å; A110-F262 HydrophobicContact CB-CE2 4.01Å; A110-F262 HydrophobicContact CB-CG 4.36Å; F262-L264 PolarHBondContact O-N 2.99Å; F262-V267 HydrophobicContact CD1-CG1 3.95Å; F262-V267 HydrophobicContact CE1-CG1 4.09Å; F262-I270 HydrophobicContact CD1-CD1 4.26Å; F262-I270 HydrophobicContact CD2-CD1 3.84Å; F262-I270 HydrophobicContact CE1-CD1 4.16Å; F262-I270 HydrophobicContact CE1-CG1 4.04Å; F262-I270 HydrophobicContact CE2-CB 4.5Å; F262-I270 HydrophobicContact CE2-CD1 3.74Å; F262-I270 HydrophobicContact CE2-CG1 4.15Å; F262-I270 HydrophobicContact CG-CD1 4.1Å; F262-I270 HydrophobicContact CZ-CB 4.21Å; F262-I270 HydrophobicContact CZ-CD1 3.9Å; F262-I270 HydrophobicContact CZ-CG1 3.82Å; F262-I288 HydrophobicContact CE2-CB 4.08Å; F262-I288 HydrophobicContact CE2-CG2 3.68Å; F262-I288 HydrophobicContact CZ-CB 4.18Å; F262-I288 HydrophobicContact CZ-CG2 3.95Å; F262-R290 HydrophobicContact CD1-CB 3.93Å; F262-R290 HydrophobicContact CE1-CB 3.91Å; F262-R290 VanDerWaalsContact O-CZ 3.31Å; F262-R290 PolarHBondContact O-NH1 3.29Å; F262-R290 PolarHBondContact O-NH2 2.96Å
263R98.9Very high98.9Very high85 Ų8527.6 Ų27.632%0.32115%0.148SC..THydrogen-bonded Turntrans-57.5-25.7162.3-72.3172.2-71.8173-1.9112.5H109 P256 I258 V259 D261 P265H109-R263 HydrophobicContact CB-CG 3.87Å; H109-R263 PolarHBondContact ND1-NE 2.85Å; P256-R263 PolarHBondContact O-NH1 3.29Å; P256-R263 PolarHBondContact O-NH2 3.49Å; I258-R263 PolarHBondContact O-NH2 3.47Å; V259-R263 HydrophobicContact CG1-CB 3.78Å; D261-R263 PolarHBondContact O-N 3.34Å; D261-R263 VanDerWaalsContact OD1-CB 3.31Å; D261-R263 WeakPolarHBondContact OD1-CB 3.32Å; D261-R263 VanDerWaalsContact OD1-CG 3.3Å; D261-R263 WeakPolarHBondContact OD1-CG 3.49Å; D261-R263 IonicContact OD1-CZ 3.18Å; D261-R263 PolarHBondContact OD1-N 2.85Å; D261-R263 IonicContact OD1-NE 2.78Å; D261-R263 PolarHBondContact OD1-NE 2.88Å; D261-R263 IonicContact OD1-NH2 3.78Å; D261-R263 IonicContact OD2-CZ 2.74Å; D261-R263 IonicContact OD2-NE 2.73Å; D261-R263 PolarHBondContact OD2-NE 3.49Å; D261-R263 IonicContact OD2-NH2 3.64Å; D261-R263 PolarHBondContact OD2-NH2 3.43Å; R263-P265 WeakPolarHBondContact O-CD 3.27Å
264L98.9Very high98.9Very high8 Ų826.6 Ų26.64%0.04214%0.144CC..SBendtrans-90.2113.4177-64.2177.5000112P220 Q221 H224 V259 D261 F262 R266 V267 R290P220-L264 HydrophobicContact CB-CD1 3.61Å; Q221-L264 HydrophobicContact CB-CD2 4.31Å; Q221-L264 HydrophobicContact CG-CD2 4.36Å; H224-L264 HydrophobicContact CB-CD1 4.28Å; H224-L264 HydrophobicContact CB-CD2 4.32Å; V259-L264 HydrophobicContact CG1-CD2 3.74Å; V259-L264 HydrophobicContact CG1-CG 3.97Å; D261-L264 WeakPolarHBondContact O-CB 3.35Å; D261-L264 PolarHBondContact O-N 3.13Å; F262-L264 PolarHBondContact O-N 2.99Å; L264-R266 VanDerWaalsContact C-N 3.26Å; L264-R266 PolarHBondContact O-N 2.94Å; L264-V267 HydrophobicContact CB-CB 4.37Å; L264-V267 HydrophobicContact CB-CG2 3.7Å; L264-V267 HydrophobicContact CD1-CG2 4.17Å; L264-V267 WeakPolarHBondContact O-CB 3.16Å; L264-V267 PolarHBondContact O-N 3.06Å; L264-R290 PolarHBondContact O-NH2 3.14Å
265P98.8Very high98.9Very high81 Ų8126.4 Ų26.453%0.52614%0.141SC..THydrogen-bonded Turntrans-55.5-29.5-171.1-29.835.5000116.8R263 V267 K268 R290R263-P265 WeakPolarHBondContact O-CD 3.27Å; P265-V267 VanDerWaalsContact C-N 3.35Å; P265-K268 PolarHBondContact O-NZ 2.84Å; P265-R290 PolarHBondContact O-NE 3.26Å
266R98.9Very high98.9Very high13 Ų1326.1 Ų26.15%0.04914%0.138CC..THydrogen-bonded Turntrans-78.4-18.3178.3-62.4176.9176-68.4-14.8113.2H224 D228 D237 I238 M240 L264 K268H224-R266 WeakPolarHBondContact NE2-CG 3.26Å; H224-R266 PolarHBondContact NE2-N 3.48Å; D228-R266 IonicContact OD1-CZ 3.68Å; D228-R266 IonicContact OD1-NE 3.79Å; D228-R266 PolarHBondContact OD1-NE 2.98Å; D228-R266 IonicContact OD1-NH2 3.72Å; D228-R266 PolarHBondContact OD1-NH2 2.92Å; D237-R266 IonicContact OD1-CZ 2.74Å; D237-R266 IonicContact OD1-NH1 3.39Å; D237-R266 PolarHBondContact OD1-NH1 2.86Å; I238-R266 PolarHBondContact O-NH1 2.9Å; M240-R266 HydrophobicContact CG-CB 4.17Å; M240-R266 PolarHBondContact N-O 3.22Å; M240-R266 HydrophobicContact SD-CB 4.17Å; L264-R266 VanDerWaalsContact C-N 3.26Å; L264-R266 PolarHBondContact O-N 2.94Å; R266-K268 PolarHBondContact O-N 3Å
267V98.9Very high98.9Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-70106.8174.5177.80000107.9M240 I242 F262 L264 P265 I270 R290M240-V267 HydrophobicContact CB-CG2 4.18Å; M240-V267 HydrophobicContact SD-CG2 4.47Å; I242-V267 HydrophobicContact CD1-CG2 3.93Å; I242-V267 HydrophobicContact CG1-CG1 3.81Å; I242-V267 HydrophobicContact CG1-CG2 3.94Å; F262-V267 HydrophobicContact CD1-CG1 3.95Å; F262-V267 HydrophobicContact CE1-CG1 4.09Å; L264-V267 HydrophobicContact CB-CB 4.37Å; L264-V267 HydrophobicContact CB-CG2 3.7Å; L264-V267 HydrophobicContact CD1-CG2 4.17Å; L264-V267 WeakPolarHBondContact O-CB 3.16Å; L264-V267 PolarHBondContact O-N 3.06Å; P265-V267 VanDerWaalsContact C-N 3.35Å; V267-I270 HydrophobicContact CG1-CD1 3.99Å; V267-I270 HydrophobicContact CG1-CG1 3.65Å; V267-R290 VanDerWaalsContact O-CZ 3.27Å; V267-R290 PolarHBondContact O-NE 3.22Å; V267-R290 PolarHBondContact O-NH2 3.12Å
268K98.9Very high98.9Very high51 Ų5116.3 Ų16.322%0.2228%0.081CC..EExtended strand (participates in β ladder)trans-99.1-19.4-179-59.5-47.1-177.3-173.50113.2D239 M240 P265 R266 W289 R290 A294D239-K268 HydrophobicContact CB-CG 3.88Å; D239-K268 WeakPolarHBondContact OD1-CE 3.29Å; D239-K268 VanDerWaalsContact OD1-CG 3.31Å; D239-K268 WeakPolarHBondContact OD1-CG 3.4Å; D239-K268 WeakPolarHBondContact OD2-CG 3.5Å; M240-K268 PolarHBondContact O-N 3.36Å; P265-K268 PolarHBondContact O-NZ 2.84Å; R266-K268 PolarHBondContact O-N 3Å; K268-W289 WeakPolarHBondContact O-CA 3.46Å; K268-R290 PolarHBondContact O-N 3.36Å; K268-A294 HydrophobicContact CB-CB 4.15Å; K268-A294 WeakPolarHBondContact O-CB 3.19Å
269S99Very high98.9Very high0 Ų015.2 Ų15.20%08%0.076CC..EExtended strand (participates in β ladder)trans-156.3154.4174.849.90000111.3H241 I242 I288H241-S269 WeakPolarHBondContact CA-O 3.12Å; H241-S269 PolarHBondContact ND1-OG 3.15Å; I242-S269 PolarHBondContact N-O 2.67Å; I242-S269 VanDerWaalsContact N-O 3.08Å; S269-I288 CarbonylContact C-O 3.59Å; S269-I288 WeakPolarHBondContact CA-O 3.42Å; S269-I288 WeakPolarHBondContact CB-O 3.45Å
270I99Very high98.9Very high0 Ų013.5 Ų13.50%07%0.066CC..EExtended strand (participates in β ladder)trans-134.8138.6178-59.4173000107.5W108 I242 A244 W260 D261 F262 V267 V287 I288W108-I270 HydrophobicContact CB-CD1 4.04Å; W108-I270 HydrophobicContact CD2-CB 4.41Å; W108-I270 HydrophobicContact CD2-CD1 4.43Å; W108-I270 HydrophobicContact CD2-CG2 3.96Å; W108-I270 HydrophobicContact CE3-CB 3.66Å; W108-I270 HydrophobicContact CE3-CD1 4.26Å; W108-I270 HydrophobicContact CE3-CG2 3.58Å; W108-I270 HydrophobicContact CG-CD1 4.37Å; W108-I270 HydrophobicContact CH2-CG2 3.93Å; W108-I270 HydrophobicContact CZ2-CG2 4.28Å; W108-I270 HydrophobicContact CZ3-CB 3.76Å; W108-I270 HydrophobicContact CZ3-CG2 3.55Å; I242-I270 HydrophobicContact CB-CG1 4.2Å; I242-I270 HydrophobicContact CB-CG2 4.44Å; I242-I270 HydrophobicContact CG1-CG1 4.31Å; A244-I270 HydrophobicContact CB-CG2 3.85Å; W260-I270 HydrophobicContact CH2-CD1 4.43Å; W260-I270 HydrophobicContact CH2-CG2 4.11Å; W260-I270 HydrophobicContact CZ3-CD1 3.93Å; W260-I270 HydrophobicContact CZ3-CG2 3.7Å; D261-I270 HydrophobicContact CB-CD1 3.86Å; F262-I270 HydrophobicContact CD1-CD1 4.26Å; F262-I270 HydrophobicContact CD2-CD1 3.84Å; F262-I270 HydrophobicContact CE1-CD1 4.16Å; F262-I270 HydrophobicContact CE1-CG1 4.04Å; F262-I270 HydrophobicContact CE2-CB 4.5Å; F262-I270 HydrophobicContact CE2-CD1 3.74Å; F262-I270 HydrophobicContact CE2-CG1 4.15Å; F262-I270 HydrophobicContact CG-CD1 4.1Å; F262-I270 HydrophobicContact CZ-CB 4.21Å; F262-I270 HydrophobicContact CZ-CD1 3.9Å; F262-I270 HydrophobicContact CZ-CG1 3.82Å; V267-I270 HydrophobicContact CG1-CD1 3.99Å; V267-I270 HydrophobicContact CG1-CG1 3.65Å; I270-V287 WeakPolarHBondContact O-CA 3.23Å; I270-I288 PolarHBondContact N-O 2.58Å; I270-I288 PolarHBondContact O-N 3.3Å
271S99Very high98.9Very high0 Ų014.8 Ų14.80%07%0.074CC..EExtended strand (participates in β ladder)trans-118.8147.6172.959.30000111.9C130 H241 I242 A244 W286C130-S271 PolarHBondContact SG-OG 3.26Å; C130-S271 VanDerWaalsContact SG-OG 3.37Å; H241-S271 PolarHBondContact NE2-OG 3.35Å; I242-S271 PolarHBondContact O-N 2.81Å; A244-S271 CarbonylContact C-O 3.02Å; A244-S271 VanDerWaalsContact CA-O 3.23Å; A244-S271 WeakPolarHBondContact CA-O 3.4Å; A244-S271 WeakPolarHBondContact CB-O 3.43Å; A244-S271 PolarHBondContact N-O 2.93Å; S271-W286 CarbonylContact C-O 3.47Å; S271-W286 VanDerWaalsContact CA-O 3.25Å; S271-W286 WeakPolarHBondContact CA-O 3.28Å
272A98.9Very high98.9Very high0 Ų019.8 Ų19.80%010%0.1CC..EExtended strand (participates in β ladder)trans-148.7155.9174.300000113W108 A244 F249 G285 W286W108-A272 HydrophobicContact CH2-CB 3.55Å; W108-A272 HydrophobicContact CZ2-CB 3.48Å; W108-A272 VanDerWaalsContact CZ2-CB 3.48Å; A244-A272 WeakPolarHBondContact O-CB 3.45Å; F249-A272 HydrophobicContact CD2-CB 4.01Å; F249-A272 HydrophobicContact CE2-CB 3.64Å; A272-G285 CarbonylContact O-C 3.44Å; A272-G285 WeakPolarHBondContact O-CA 3.46Å; A272-W286 PolarHBondContact N-O 3.43Å; A272-W286 PolarHBondContact O-N 3.43Å
273S98.9Very high98.9Very high3 Ų320.2 Ų20.22%0.02111%0.106CC..  trans-96.6109.4172.6-79.10000109.9S126 A245 H275 K276S126-S273 WeakPolarHBondContact CB-OG 3.24Å; S126-S273 PolarHBondContact N-OG 3.12Å; S126-S273 PolarHBondContact OG-N 3.49Å; S126-S273 PolarHBondContact OG-OG 2.76Å; A245-S273 WeakPolarHBondContact O-CB 3.3Å; A245-S273 PolarHBondContact O-N 3.25Å; S273-H275 PolarHBondContact O-N 2.76Å; S273-H275 PolarHBondContact OG-CE1 3.13Å; S273-H275 PolarHBondContact OG-NE2 3.37Å; S273-K276 PolarHBondContact O-N 3.3Å; S273-K276 VanDerWaalsContact O-N 3.11Å
274G98.9Very high98.9Very high0 Ų016.2 Ų16.20%09%0.091CC..THydrogen-bonded Turntrans-55.9-37.2170.900000111.7K276 G278 L279 A280 C284 Q327G274-K276 PolarHBondContact O-N 3.4Å; G274-G278 CarbonylContact O-C 3.18Å; G274-G278 WeakPolarHBondContact O-CA 3.34Å; G274-G278 PolarHBondContact O-N 3.22Å; G274-L279 PolarHBondContact O-N 3.1Å; G274-A280 PolarHBondContact O-N 2.96Å; G274-C284 PolarHBondContact N-O 3.24Å; G274-Q327 VanDerWaalsContact CA-OE1 3.22Å
275H98.8Very high98.9Very high21 Ų2115.8 Ų15.810%0.0979%0.089CC..THydrogen-bonded Turntrans-74.60.1-179.763.9-105.5000116C64 Q65 S273 A280 P281 C284C64-H275 CarbonylContact C-O 3.58Å; C64-H275 VanDerWaalsContact CA-O 3.29Å; C64-H275 WeakPolarHBondContact CA-O 3.46Å; Q65-H275 PolarHBondContact N-O 3.17Å; S273-H275 PolarHBondContact O-N 2.76Å; S273-H275 PolarHBondContact OG-CE1 3.13Å; S273-H275 PolarHBondContact OG-NE2 3.37Å; H275-A280 VanDerWaalsContact CA-O 3.28Å; H275-A280 WeakPolarHBondContact CA-O 3.26Å; H275-P281 VanDerWaalsContact CB-O 3.28Å; H275-P281 WeakPolarHBondContact CB-O 3.28Å; H275-C284 PolarHBondContact CE1-O 3.27Å; H275-C284 PolarHBondContact N-O 3.18Å; H275-C284 PolarHBondContact ND1-N 3.13Å; H275-C284 PolarHBondContact ND1-O 3.13Å
276K98.8Very high98.9Very high8 Ų812 Ų124%0.0356%0.064CC..THydrogen-bonded Turntrans-94.8-112.3170.5-67.7-175.3179.5-178.70109F63 Q65 A245 S273 G274 G278 L279 T466F63-K276 HydrophobicContact CB-CD 3.77Å; F63-K276 HydrophobicContact CB-CG 3.84Å; F63-K276 HydrophobicContact CD1-CD 4.41Å; F63-K276 HydrophobicContact CG-CD 4.38Å; F63-K276 WeakPolarHBondContact O-CA 3.29Å; Q65-K276 PolarHBondContact NE2-O 3.3Å; A245-K276 HydrophobicContact CB-CD 4.46Å; S273-K276 PolarHBondContact O-N 3.3Å; S273-K276 VanDerWaalsContact O-N 3.11Å; G274-K276 PolarHBondContact O-N 3.4Å; K276-G278 VanDerWaalsContact C-N 3.28Å; K276-G278 PolarHBondContact O-N 3.49Å; K276-L279 PolarHBondContact O-N 2.93Å; K276-T466 VanDerWaalsContact CE-OG1 3.29Å; K276-T466 WeakPolarHBondContact CE-OG1 3.41Å
277F98.8Very high98.9Very high2 Ų211.3 Ų11.31%0.0096%0.061CC..THydrogen-bonded Turntrans-82.9-3.3178.9-65.9-83.4000113.5F63 F249 L250 L279 Q343 P376 M424F63-F277 HydrophobicContact CD1-CE2 4.38Å; F249-F277 HydrophobicContact CB-CB 4.33Å; L250-F277 HydrophobicContact CD1-CB 4.22Å; L250-F277 HydrophobicContact CD1-CD1 4.24Å; L250-F277 HydrophobicContact CD1-CD2 3.78Å; L250-F277 HydrophobicContact CD1-CE2 4.16Å; L250-F277 HydrophobicContact CD1-CG 3.81Å; L250-F277 HydrophobicContact CD2-CB 4.02Å; L250-F277 HydrophobicContact CD2-CD1 3.76Å; L250-F277 HydrophobicContact CD2-CE1 4.4Å; L250-F277 HydrophobicContact CD2-CG 3.9Å; L250-F277 HydrophobicContact CG-CB 3.83Å; L250-F277 HydrophobicContact CG-CD1 4.26Å; L250-F277 HydrophobicContact CG-CD2 4.33Å; L250-F277 HydrophobicContact CG-CG 3.89Å; F277-L279 PolarHBondContact O-N 2.82Å; F277-Q343 PolarHBondContact O-NE2 3.23Å; F277-P376 HydrophobicContact CD1-CG 4.31Å; F277-P376 HydrophobicContact CE1-CG 3.45Å; F277-P376 VanDerWaalsContact CE1-CG 3.45Å; F277-P376 HydrophobicContact CZ-CG 3.77Å; F277-M424 HydrophobicContact CE2-SD 4.31Å; F277-M424 HydrophobicContact CZ-SD 3.96Å
278G98.9Very high98.9Very high0 Ų011.3 Ų11.30%06%0.061CC..THydrogen-bonded Turntrans-70-8.616700000113.6F249 G274 K276 A280 Q327 Y339F249-G278 VanDerWaalsContact CG-CA 3.42Å; G274-G278 CarbonylContact O-C 3.18Å; G274-G278 WeakPolarHBondContact O-CA 3.34Å; G274-G278 PolarHBondContact O-N 3.22Å; K276-G278 VanDerWaalsContact C-N 3.28Å; K276-G278 PolarHBondContact O-N 3.49Å; G278-A280 PolarHBondContact O-N 2.75Å; G278-Q327 PolarHBondContact O-NE2 3.47Å; G278-Y339 PolarHBondContact O-OH 3.05Å
279L98.9Very high98.9Very high6 Ų69.1 Ų9.13%0.0315%0.051CC..  trans69.54.4174.9-45-179.4000115.8G274 K276 F277 E330 L334 Y339 V342 R427G274-L279 PolarHBondContact O-N 3.1Å; K276-L279 PolarHBondContact O-N 2.93Å; F277-L279 PolarHBondContact O-N 2.82Å; L279-E330 HydrophobicContact CB-CB 4.49Å; L279-E330 HydrophobicContact CB-CG 4.14Å; L279-L334 HydrophobicContact CD1-CD1 3.49Å; L279-L334 VanDerWaalsContact CD1-CD1 3.49Å; L279-Y339 HydrophobicContact CD1-CD1 4.11Å; L279-Y339 HydrophobicContact CD1-CE1 3.66Å; L279-Y339 HydrophobicContact CG-CE1 3.79Å; L279-V342 HydrophobicContact CD1-CB 4.49Å; L279-V342 HydrophobicContact CD1-CG1 3.9Å; L279-V342 HydrophobicContact CD2-CG1 4.33Å; L279-R427 HydrophobicContact CD2-CB 4.43Å
280A98.9Very high98.9Very high1 Ų110.5 Ų10.51%0.0086%0.057CC..PPolyproline II helixtrans-71.2159.7172.800000112.1Q65 G274 H275 G278 C284 Q327Q65-A280 VanDerWaalsContact CG-O 3.24Å; Q65-A280 WeakPolarHBondContact CG-O 3.3Å; G274-A280 PolarHBondContact O-N 2.96Å; H275-A280 VanDerWaalsContact CA-O 3.28Å; H275-A280 WeakPolarHBondContact CA-O 3.26Å; G278-A280 PolarHBondContact O-N 2.75Å; A280-C284 HydrophobicContact CB-CB 3.78Å; A280-Q327 HydrophobicContact CB-CB 3.95Å; A280-Q327 HydrophobicContact CB-CG 4.43Å
281P98.8Very high98.8Very high26 Ų2613.3 Ų13.317%0.1697%0.072CC..PPolyproline II helixtrans-67.4166.6167.529-35000111.9V72 M76 H275 G283 Q323 A326V72-P281 HydrophobicContact CG1-CB 4.24Å; V72-P281 HydrophobicContact CG1-CG 3.98Å; M76-P281 HydrophobicContact CG-CG 4.17Å; M76-P281 HydrophobicContact SD-CG 3.76Å; H275-P281 VanDerWaalsContact CB-O 3.28Å; H275-P281 WeakPolarHBondContact CB-O 3.28Å; P281-G283 PolarHBondContact O-N 3.37Å; P281-Q323 HydrophobicContact CG-CG 4.28Å; P281-A326 HydrophobicContact CG-CB 3.68Å
282L98.8Very high98.7Very high107 Ų10717.5 Ų17.556%0.569%0.091SC*.SBendtrans-51.8136.4177.9-72.4175.1000112.6C64 Q323C64-L282 HydrophobicContact CB-CD2 3.6Å; L282-Q323 WeakPolarHBondContact O-CG 3.28Å; L282-Q323 PolarHBondContact O-NE2 3.01Å
283G98.5Very high98.6Very high13 Ų1325 Ų2513%0.13413%0.127CC..SBendtrans100.623.4-179.800000115.1I124 P281I124-G283 CarbonylContact O-C 3.51Å; I124-G283 VanDerWaalsContact O-CA 3.29Å; I124-G283 WeakPolarHBondContact O-CA 3.39Å; P281-G283 PolarHBondContact O-N 3.37Å
284C98.9Very high98.6Very high0 Ų025 Ų250%013%0.126CC..  trans-123.4125.5176.8-162.60000113.4T123 I124 G274 H275 A280 Q323T123-C284 CarbonylContact O-C 3.57Å; I124-C284 CarbonylContact O-C 3.52Å; I124-C284 PolarHBondContact O-N 2.97Å; I124-C284 VanDerWaalsContact O-N 3.1Å; G274-C284 PolarHBondContact N-O 3.24Å; H275-C284 PolarHBondContact CE1-O 3.27Å; H275-C284 PolarHBondContact N-O 3.18Å; H275-C284 PolarHBondContact ND1-N 3.13Å; H275-C284 PolarHBondContact ND1-O 3.13Å; A280-C284 HydrophobicContact CB-CB 3.78Å; C284-Q323 HydrophobicContact CB-CB 4.01Å
285G98.9Very high98.6Very high0 Ų025.7 Ų25.70%013%0.13CC..EExtended strand (participates in β ladder)trans-141.3167.7168.900000111.8N122 T123 A272N122-G285 WeakPolarHBondContact CA-O 3.46Å; N122-G285 PolarHBondContact ND2-O 3.26Å; T123-G285 PolarHBondContact N-O 3.03Å; T123-G285 PolarHBondContact O-N 2.93Å; T123-G285 VanDerWaalsContact OG1-CA 3.31Å; T123-G285 WeakPolarHBondContact OG1-CA 3.29Å; T123-G285 PolarHBondContact OG1-O 3.45Å; A272-G285 CarbonylContact O-C 3.44Å; A272-G285 WeakPolarHBondContact O-CA 3.46Å
286W98.9Very high98.6Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-140140.3-177.9-5998.6000109.9C100 V101 V104 W108 N122 F249 S271 A272 V324 Q327C100-W286 HydrophobicContact CB-CH2 3.23Å; C100-W286 HydrophobicContact CB-CZ2 3.78Å; C100-W286 HydrophobicContact CB-CZ3 3.76Å; V101-W286 HydrophobicContact CG2-CE3 4.32Å; V101-W286 HydrophobicContact CG2-CZ3 3.92Å; V104-W286 HydrophobicContact CG1-CB 4.42Å; V104-W286 HydrophobicContact CG2-CD2 4.32Å; V104-W286 HydrophobicContact CG2-CG 4.32Å; W108-W286 HydrophobicContact CH2-CB 4.45Å; N122-W286 HydrophobicContact CB-CE3 4.01Å; N122-W286 HydrophobicContact CB-CH2 3.79Å; N122-W286 HydrophobicContact CB-CZ3 3.52Å; F249-W286 AromaticContact CZ-CD1 3.8Å; S271-W286 CarbonylContact C-O 3.47Å; S271-W286 VanDerWaalsContact CA-O 3.25Å; S271-W286 WeakPolarHBondContact CA-O 3.28Å; A272-W286 PolarHBondContact N-O 3.43Å; A272-W286 PolarHBondContact O-N 3.43Å; W286-V324 HydrophobicContact CH2-CG1 4.25Å; W286-V324 HydrophobicContact CH2-CG2 4.38Å; W286-Q327 HydrophobicContact CZ2-CB 4.31Å; W286-Q327 HydrophobicContact CZ2-CG 3.86Å
287V98.9Very high98.5Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-129.9129.9161.753.80000108.5G120 T121 T123 A129 L132 I270 W289G120-V287 CarbonylContact C-O 3.57Å; G120-V287 WeakPolarHBondContact CA-O 3.16Å; T121-V287 HydrophobicContact CG2-CG1 3.56Å; T121-V287 PolarHBondContact N-O 3.15Å; T121-V287 PolarHBondContact O-N 2.95Å; T121-V287 VanDerWaalsContact O-N 3.12Å; T123-V287 HydrophobicContact CG2-CG1 4.24Å; A129-V287 HydrophobicContact CB-CB 3.91Å; A129-V287 HydrophobicContact CB-CG1 4.35Å; L132-V287 HydrophobicContact CB-CG1 4.36Å; L132-V287 HydrophobicContact CD1-CG1 3.97Å; I270-V287 WeakPolarHBondContact O-CA 3.23Å; V287-W289 HydrophobicContact CB-CH2 4.41Å; V287-W289 HydrophobicContact CG1-CH2 3.52Å; V287-W289 HydrophobicContact CG1-CZ2 4.11Å; V287-W289 HydrophobicContact CG1-CZ3 3.94Å; V287-W289 HydrophobicContact CG2-CD2 4.44Å; V287-W289 HydrophobicContact CG2-CH2 4.02Å; V287-W289 HydrophobicContact CG2-CZ2 3.84Å; V287-W289 HydrophobicContact CG2-CZ3 4.4Å
288I98.9Very high98.5Very high0 Ų034.9 Ų34.90%017%0.174CC..EExtended strand (participates in β ladder)trans-117.2139.6175.3-54.3-60000107.7V101 V104 A105 W108 F262 S269 I270V101-I288 HydrophobicContact CG1-CD1 3.88Å; V104-I288 HydrophobicContact CB-CD1 4.36Å; V104-I288 HydrophobicContact CB-CG1 4.35Å; V104-I288 HydrophobicContact CG1-CD1 4.3Å; V104-I288 HydrophobicContact CG1-CG1 3.82Å; A105-I288 HydrophobicContact CB-CD1 4.48Å; A105-I288 HydrophobicContact CB-CG2 3.8Å; W108-I288 HydrophobicContact CE3-CB 4.03Å; W108-I288 HydrophobicContact CE3-CG1 3.8Å; W108-I288 HydrophobicContact CZ3-CB 3.98Å; W108-I288 HydrophobicContact CZ3-CG1 3.57Å; F262-I288 HydrophobicContact CE2-CB 4.08Å; F262-I288 HydrophobicContact CE2-CG2 3.68Å; F262-I288 HydrophobicContact CZ-CB 4.18Å; F262-I288 HydrophobicContact CZ-CG2 3.95Å; S269-I288 CarbonylContact C-O 3.59Å; S269-I288 WeakPolarHBondContact CA-O 3.42Å; S269-I288 WeakPolarHBondContact CB-O 3.45Å; I270-I288 PolarHBondContact N-O 2.58Å; I270-I288 PolarHBondContact O-N 3.3Å
289W98.9Very high98.4Very high4 Ų435.4 Ų35.42%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-103.4150169.7-68.2-90000109.8V119 T121 L132 K268 V287 D291 A294 L295 F313V119-W289 HydrophobicContact CB-CB 4.29Å; V119-W289 HydrophobicContact CG1-CB 3.99Å; V119-W289 HydrophobicContact CG1-CE3 4.09Å; V119-W289 PolarHBondContact O-N 3.02Å; T121-W289 HydrophobicContact CG2-CH2 4.21Å; T121-W289 HydrophobicContact CG2-CZ3 4.22Å; L132-W289 HydrophobicContact CB-CH2 4.4Å; L132-W289 HydrophobicContact CB-CZ2 4.21Å; K268-W289 WeakPolarHBondContact O-CA 3.46Å; V287-W289 HydrophobicContact CB-CH2 4.41Å; V287-W289 HydrophobicContact CG1-CH2 3.52Å; V287-W289 HydrophobicContact CG1-CZ2 4.11Å; V287-W289 HydrophobicContact CG1-CZ3 3.94Å; V287-W289 HydrophobicContact CG2-CD2 4.44Å; V287-W289 HydrophobicContact CG2-CH2 4.02Å; V287-W289 HydrophobicContact CG2-CZ2 3.84Å; V287-W289 HydrophobicContact CG2-CZ3 4.4Å; W289-D291 VanDerWaalsContact C-N 3.29Å; W289-D291 PolarHBondContact O-N 2.87Å; W289-A294 HydrophobicContact CB-CB 4.03Å; W289-L295 HydrophobicContact CB-CB 4.48Å; W289-L295 HydrophobicContact CD2-CB 4.16Å; W289-L295 HydrophobicContact CD2-CD1 4.3Å; W289-L295 HydrophobicContact CD2-CD2 4.25Å; W289-L295 HydrophobicContact CD2-CG 4.47Å; W289-L295 HydrophobicContact CE3-CD2 4Å; W289-L295 HydrophobicContact CG-CB 4.04Å; W289-L295 HydrophobicContact CH2-CD1 4.4Å; W289-L295 HydrophobicContact CH2-CD2 4.5Å; W289-L295 HydrophobicContact CZ2-CD1 3.98Å; W289-L295 HydrophobicContact CZ3-CD2 4.11Å; W289-F313 AromaticContact CH2-CD1 3.49Å; W289-F313 HydrophobicContact CH2-CD1 3.49Å; W289-F313 VanDerWaalsContact CH2-CD1 3.49Å; W289-F313 AromaticContact CH2-CE1 3.96Å; W289-F313 HydrophobicContact CH2-CE1 3.96Å; W289-F313 AromaticContact CZ2-CD1 3.59Å; W289-F313 HydrophobicContact CZ2-CD1 3.59Å; W289-F313 AromaticContact CZ2-CE1 3.59Å; W289-F313 HydrophobicContact CZ2-CE1 3.59Å; W289-F313 HydrophobicContact CZ3-CD1 4.47Å
290R98.7Very high98.4Very high30 Ų3036.4 Ų36.411%0.11318%0.183CC..SBendtrans-55.9-45.6-178.8171.1177.5-72.9-71.8-7.8112P111 F262 L264 P265 V267 K268 A294P111-R290 WeakPolarHBondContact CD-O 3.08Å; P111-R290 HydrophobicContact CG-CG 3.92Å; F262-R290 HydrophobicContact CD1-CB 3.93Å; F262-R290 HydrophobicContact CE1-CB 3.91Å; F262-R290 VanDerWaalsContact O-CZ 3.31Å; F262-R290 PolarHBondContact O-NH1 3.29Å; F262-R290 PolarHBondContact O-NH2 2.96Å; L264-R290 PolarHBondContact O-NH2 3.14Å; P265-R290 PolarHBondContact O-NE 3.26Å; V267-R290 VanDerWaalsContact O-CZ 3.27Å; V267-R290 PolarHBondContact O-NE 3.22Å; V267-R290 PolarHBondContact O-NH2 3.12Å; K268-R290 PolarHBondContact O-N 3.36Å; R290-A294 HydrophobicContact CB-CB 4.24Å
291D97.9Very high98.2Very high58 Ų5843.4 Ų43.431%0.3121%0.213SC..SBendtrans-160.9179.1-173.850.441.1000109.8W289 E293 A294W289-D291 VanDerWaalsContact C-N 3.29Å; W289-D291 PolarHBondContact O-N 2.87Å; D291-E293 PolarHBondContact O-N 2.63Å; D291-E293 PolarHBondContact OD1-N 2.68Å; D291-A294 WeakPolarHBondContact O-CB 3.48Å; D291-A294 PolarHBondContact O-N 3.16Å; D291-A294 WeakPolarHBondContact OD1-CB 3.41Å; D291-A294 PolarHBondContact OD1-N 2.81Å
292E96.4Very high97.9Very high89 Ų8946.9 Ų46.942%0.41623%0.231SC..SBendtrans-60.6-30.8178.2-63.6-72.4176.300112.6V119 L295V119-E292 HydrophobicContact CG2-CG 4.03Å; E292-L295 PolarHBondContact O-N 2.98Å; E292-L295 VanDerWaalsContact O-O 3.09Å
293E97.3Very high97.4Very high158 Ų15843.6 Ų43.674%0.73822%0.215SC*.THydrogen-bonded Turntrans-74.7-29-179.5-65.7-179.9-167.400111.8D291 L295D291-E293 PolarHBondContact O-N 2.63Å; D291-E293 PolarHBondContact OD1-N 2.68Å; E293-L295 PolarHBondContact O-N 3.35Å
294A98.6Very high96.6Very high2 Ų248.8 Ų48.82%0.01724%0.24CC..THydrogen-bonded Turntrans-66.9-18.517500000113.3R140 K268 W289 R290 D291R140-A294 PolarHBondContact NH1-O 2.94Å; K268-A294 HydrophobicContact CB-CB 4.15Å; K268-A294 WeakPolarHBondContact O-CB 3.19Å; W289-A294 HydrophobicContact CB-CB 4.03Å; R290-A294 HydrophobicContact CB-CB 4.24Å; D291-A294 WeakPolarHBondContact O-CB 3.48Å; D291-A294 PolarHBondContact O-N 3.16Å; D291-A294 WeakPolarHBondContact OD1-CB 3.41Å; D291-A294 PolarHBondContact OD1-N 2.81Å
295L98.6Very high95.7Very high14 Ų1450.9 Ų50.97%0.07325%0.248CC..SBendtrans-112.6103.5176.3179.456.6000111.7V119 A136 W289 E292 E293 Q297 V300 F313V119-L295 HydrophobicContact CG1-CB 4.07Å; V119-L295 HydrophobicContact CG1-CD2 3.84Å; A136-L295 HydrophobicContact CB-CD1 4.4Å; W289-L295 HydrophobicContact CB-CB 4.48Å; W289-L295 HydrophobicContact CD2-CB 4.16Å; W289-L295 HydrophobicContact CD2-CD1 4.3Å; W289-L295 HydrophobicContact CD2-CD2 4.25Å; W289-L295 HydrophobicContact CD2-CG 4.47Å; W289-L295 HydrophobicContact CE3-CD2 4Å; W289-L295 HydrophobicContact CG-CB 4.04Å; W289-L295 HydrophobicContact CH2-CD1 4.4Å; W289-L295 HydrophobicContact CH2-CD2 4.5Å; W289-L295 HydrophobicContact CZ2-CD1 3.98Å; W289-L295 HydrophobicContact CZ3-CD2 4.11Å; E292-L295 PolarHBondContact O-N 2.98Å; E292-L295 VanDerWaalsContact O-O 3.09Å; E293-L295 PolarHBondContact O-N 3.35Å; L295-Q297 PolarHBondContact O-N 3.12Å; L295-V300 HydrophobicContact CD2-CG2 3.9Å; L295-V300 HydrophobicContact CG-CG2 4.04Å; L295-F313 HydrophobicContact CD1-CD1 3.45Å; L295-F313 VanDerWaalsContact CD1-CD1 3.45Å; L295-F313 HydrophobicContact CD1-CE1 3.72Å; L295-F313 HydrophobicContact CD1-CG 4.32Å; L295-F313 HydrophobicContact CD2-CD1 4.49Å
296P98.5Very high94.2Very high9 Ų958.2 Ų58.26%0.05829%0.286CS..  trans-56.5125.2176.3-26.935.8000112.7W139 R140 E298 L299W139-P296 HydrophobicContact CB-CB 4.02Å; W139-P296 HydrophobicContact CB-CG 3.68Å; W139-P296 HydrophobicContact CG-CB 4.45Å; R140-P296 HydrophobicContact CG-CG 3.83Å; P296-E298 PolarHBondContact O-N 2.9Å; P296-L299 HydrophobicContact CB-CD1 4.25Å; P296-L299 HydrophobicContact CB-CG 4.34Å; P296-L299 HydrophobicContact CG-CD1 4.3Å; P296-L299 WeakPolarHBondContact O-CB 3.28Å; P296-L299 PolarHBondContact O-N 2.94Å
297Q97.7Very high92.9Very high108 Ų10862.3 Ų62.351%0.50533%0.328SS..G310 helixtrans-62.2-24.7-177-69.2-65.8-53.900113.7L295 L299 V300L295-Q297 PolarHBondContact O-N 3.12Å; Q297-L299 PolarHBondContact O-N 3.06Å; Q297-V300 PolarHBondContact O-N 2.79Å
298E98Very high92Very high108 Ų10864.1 Ų64.151%0.50535%0.347SS..G310 helixtrans-65.5-15.9174.4-6283.4172.200113.6K143 P296K143-E298 VanDerWaalsContact CE-CD 3.44Å; K143-E298 WeakPolarHBondContact CE-OE1 3.16Å; K143-E298 VanDerWaalsContact CE-OE2 3.23Å; K143-E298 WeakPolarHBondContact CE-OE2 3.49Å; K143-E298 IonicContact NZ-OE1 2.8Å; K143-E298 PolarHBondContact NZ-OE1 3Å; K143-E298 IonicContact NZ-OE2 3.23Å; K143-E298 PolarHBondContact NZ-OE2 3.48Å; P296-E298 PolarHBondContact O-N 2.9Å
299L98.2Very high91.2Very high10 Ų1069.8 Ų69.85%0.05237%0.374CS..G310 helixtrans-91.5-13.1175.1-61.7178000112.3M135 A136 W139 P296 Q297 F301 F313M135-L299 HydrophobicContact CB-CD1 4.32Å; A136-L299 HydrophobicContact CB-CD1 4.26Å; W139-L299 HydrophobicContact CB-CD1 4.15Å; W139-L299 HydrophobicContact CD2-CD1 4.28Å; W139-L299 HydrophobicContact CD2-CD2 3.71Å; W139-L299 HydrophobicContact CD2-CG 4.22Å; W139-L299 HydrophobicContact CE3-CD2 4.01Å; W139-L299 HydrophobicContact CG-CD1 4.12Å; W139-L299 HydrophobicContact CG-CD2 4.18Å; W139-L299 HydrophobicContact CG-CG 4.16Å; W139-L299 HydrophobicContact CH2-CD2 4.15Å; W139-L299 HydrophobicContact CZ2-CD2 3.88Å; W139-L299 HydrophobicContact CZ3-CD2 4.21Å; P296-L299 HydrophobicContact CB-CD1 4.25Å; P296-L299 HydrophobicContact CB-CG 4.34Å; P296-L299 HydrophobicContact CG-CD1 4.3Å; P296-L299 WeakPolarHBondContact O-CB 3.28Å; P296-L299 PolarHBondContact O-N 2.94Å; Q297-L299 PolarHBondContact O-N 3.06Å; L299-F301 WeakPolarHBondContact O-CD2 3.47Å; L299-F313 HydrophobicContact CB-CD2 4Å; L299-F313 HydrophobicContact CB-CE1 4.41Å; L299-F313 HydrophobicContact CB-CE2 3.78Å; L299-F313 HydrophobicContact CB-CG 4.42Å; L299-F313 HydrophobicContact CB-CZ 3.99Å; L299-F313 HydrophobicContact CD1-CE1 4.31Å; L299-F313 HydrophobicContact CD1-CE2 4.4Å; L299-F313 HydrophobicContact CD1-CZ 3.87Å; L299-F313 HydrophobicContact CD2-CE2 4.47Å; L299-F313 HydrophobicContact CG-CE2 4.45Å; L299-F313 HydrophobicContact CG-CZ 4.4Å; L299-F313 WeakPolarHBondContact O-CD2 3.4Å
300V97.8Very high90.4Very high28 Ų2873.3 Ų73.317%0.1739%0.392CS..PPolyproline II helixtrans-90.5122.1-179.8-176.60000109.2L295 Q297L295-V300 HydrophobicContact CD2-CG2 3.9Å; L295-V300 HydrophobicContact CG-CG2 4.04Å; Q297-V300 PolarHBondContact O-N 2.79Å
301F95.7Very high89.8Confident147 Ų14773.6 Ų73.665%0.64540%0.404SS*.EExtended strand (participates in β ladder)trans-102.1117.5175.5-70.7-97.3000109.3L299 T312L299-F301 WeakPolarHBondContact O-CD2 3.47Å; F301-T312 PolarHBondContact N-O 2.79Å; F301-T312 WeakPolarHBondContact O-CG2 3.2Å; F301-T312 PolarHBondContact O-N 3.28Å
302N92.4Very high89.4Confident100 Ų10072.1 Ų72.154%0.53540%0.397SS..EExtended strand (participates in β ladder)trans-81.7129.8175.6-67.3-37.8000110.4G311N302-G311 WeakPolarHBondContact OD1-CA 3.4Å; N302-G311 PolarHBondContact OD1-N 3.46Å
303V86.8Confident89.4Confident38 Ų3868.7 Ų68.723%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-112.6130.2176.1-178.10000109Y305 Q309 I310 T312V303-Y305 HydrophobicContact CB-CD2 4.47Å; V303-Y305 HydrophobicContact CB-CE2 3.72Å; V303-Y305 HydrophobicContact CG1-CD2 4.36Å; V303-Y305 HydrophobicContact CG1-CE1 4.22Å; V303-Y305 HydrophobicContact CG1-CE2 3.72Å; V303-Y305 WeakPolarHBondContact O-CD2 3.31Å; V303-Q309 WeakPolarHBondContact O-CA 3.49Å; V303-I310 PolarHBondContact N-O 2.8Å; V303-I310 VanDerWaalsContact N-O 3.09Å; V303-I310 PolarHBondContact O-N 2.93Å; V303-I310 VanDerWaalsContact O-N 3.14Å; V303-T312 HydrophobicContact CG2-CG2 4.12Å
304D82.1Confident89.4Confident122 Ų12262.4 Ų62.465%0.65236%0.356SS*.EExtended strand (participates in β ladder)trans-73126.5173.7-74.2-49.2000110.9Q309D304-Q309 VanDerWaalsContact OD1-CD 3.29Å; D304-Q309 WeakPolarHBondContact OD1-CG 3.47Å; D304-Q309 PolarHBondContact OD1-NE2 2.97Å
305Y80.7Confident89.3Confident43 Ų4366.8 Ų66.817%0.16938%0.378CS..EExtended strand (participates in β ladder)trans-126.3163.7168.3-60.4-82.6000109.7I85 K87 E88 V303 G307 G308 I310I85-Y305 PolarHBondContact O-OH 3.39Å; K87-Y305 HydrophobicContact CB-CD1 4.4Å; K87-Y305 HydrophobicContact CB-CD2 4.42Å; K87-Y305 HydrophobicContact CB-CE1 4.19Å; K87-Y305 HydrophobicContact CB-CE2 4.22Å; K87-Y305 HydrophobicContact CG-CE1 4.49Å; K87-Y305 HydrophobicContact CG-CE2 4.16Å; E88-Y305 HydrophobicContact CB-CD1 4.08Å; V303-Y305 HydrophobicContact CB-CD2 4.47Å; V303-Y305 HydrophobicContact CB-CE2 3.72Å; V303-Y305 HydrophobicContact CG1-CD2 4.36Å; V303-Y305 HydrophobicContact CG1-CE1 4.22Å; V303-Y305 HydrophobicContact CG1-CE2 3.72Å; V303-Y305 WeakPolarHBondContact O-CD2 3.31Å; Y305-G307 PolarHBondContact O-N 3.35Å; Y305-G308 PolarHBondContact N-O 3.44Å; Y305-G308 PolarHBondContact O-N 2.98Å; Y305-G308 VanDerWaalsContact O-O 3.12Å; Y305-I310 HydrophobicContact CD2-CB 4.33Å; Y305-I310 HydrophobicContact CD2-CD1 4.32Å; Y305-I310 HydrophobicContact CD2-CG1 4.33Å; Y305-I310 HydrophobicContact CE2-CB 4.14Å
306L68.1Low89.2Confident154 Ų15469.2 Ų69.281%0.80639%0.392SS*.THydrogen-bonded Turntrans-51.7-32.4177.7-98.6154.8000113.7E88E88-L306 HydrophobicContact CG-CB 4.29Å; E88-L306 HydrophobicContact CG-CD1 4.27Å; E88-L306 WeakPolarHBondContact OE1-CB 3.27Å; E88-L306 WeakPolarHBondContact OE1-CD1 3.4Å; E88-L306 WeakPolarHBondContact OE1-CG 3.14Å; E88-L306 PolarHBondContact OE1-N 2.8Å
307G70.7Confident89.1Confident86 Ų8674.7 Ų74.789%0.88742%0.415SS*.THydrogen-bonded Turntrans-89.92.3-178.900000115.9Y305Y305-G307 PolarHBondContact O-N 3.35Å
308G80.1Confident89.1Confident38 Ų3873.4 Ų73.439%0.39242%0.418SS..EExtended strand (participates in β ladder)trans124.3-171.8-174.900000113Y305Y305-G308 PolarHBondContact N-O 3.44Å; Y305-G308 PolarHBondContact O-N 2.98Å; Y305-G308 VanDerWaalsContact O-O 3.12Å
309Q81.4Confident89.1Confident119 Ų11969.4 Ų69.456%0.55640%0.398SS*.EExtended strand (participates in β ladder)trans-94.2136.5178.7-73.1-177.2-12.700111.6V303 D304V303-Q309 WeakPolarHBondContact O-CA 3.49Å; D304-Q309 VanDerWaalsContact OD1-CD 3.29Å; D304-Q309 WeakPolarHBondContact OD1-CG 3.47Å; D304-Q309 PolarHBondContact OD1-NE2 2.97Å
310I83.1Confident89.1Confident78 Ų7871.4 Ų71.440%0.441%0.411SS..EExtended strand (participates in β ladder)trans-120.1122.8170.3-59.2173000108.2K87 V303 Y305K87-I310 HydrophobicContact CB-CD1 3.75Å; K87-I310 HydrophobicContact CG-CD1 3.89Å; V303-I310 PolarHBondContact N-O 2.8Å; V303-I310 VanDerWaalsContact N-O 3.09Å; V303-I310 PolarHBondContact O-N 2.93Å; V303-I310 VanDerWaalsContact O-N 3.14Å; Y305-I310 HydrophobicContact CD2-CB 4.33Å; Y305-I310 HydrophobicContact CD2-CD1 4.32Å; Y305-I310 HydrophobicContact CD2-CG1 4.33Å; Y305-I310 HydrophobicContact CE2-CB 4.14Å
311G85.2Confident89.2Confident36 Ų3670.1 Ų70.137%0.37140%0.404SS..EExtended strand (participates in β ladder)trans-72.6129.5172.300000111N302N302-G311 WeakPolarHBondContact OD1-CA 3.4Å; N302-G311 PolarHBondContact OD1-N 3.46Å
312T89.4Confident89.3Confident27 Ų2763.1 Ų63.117%0.16637%0.374CS..EExtended strand (participates in β ladder)trans-122.5140.4174.2-1780000110.6F301 V303F301-T312 PolarHBondContact N-O 2.79Å; F301-T312 WeakPolarHBondContact O-CG2 3.2Å; F301-T312 PolarHBondContact O-N 3.28Å; V303-T312 HydrophobicContact CG2-CG2 4.12Å
313F97.1Very high89.6Confident17 Ų1759.5 Ų59.58%0.07535%0.353CS..  trans-129.297.3167.3178.6-140000108.5T121 L132 M135 W289 L295 L299T121-F313 WeakPolarHBondContact CG2-O 3.46Å; L132-F313 HydrophobicContact CB-CD1 4.33Å; L132-F313 HydrophobicContact CB-CE1 3.74Å; L132-F313 HydrophobicContact CB-CZ 4.02Å; L132-F313 HydrophobicContact CD2-CD1 4.16Å; L132-F313 HydrophobicContact CD2-CD2 3.86Å; L132-F313 HydrophobicContact CD2-CE1 3.89Å; L132-F313 HydrophobicContact CD2-CE2 3.53Å; L132-F313 HydrophobicContact CD2-CG 4.16Å; L132-F313 HydrophobicContact CD2-CZ 3.56Å; L132-F313 HydrophobicContact CG-CE1 4.34Å; L132-F313 HydrophobicContact CG-CZ 4.38Å; M135-F313 HydrophobicContact CB-CZ 4.1Å; M135-F313 HydrophobicContact CE-CE2 3.76Å; M135-F313 HydrophobicContact CE-CZ 3.78Å; W289-F313 AromaticContact CH2-CD1 3.49Å; W289-F313 HydrophobicContact CH2-CD1 3.49Å; W289-F313 VanDerWaalsContact CH2-CD1 3.49Å; W289-F313 AromaticContact CH2-CE1 3.96Å; W289-F313 HydrophobicContact CH2-CE1 3.96Å; W289-F313 AromaticContact CZ2-CD1 3.59Å; W289-F313 HydrophobicContact CZ2-CD1 3.59Å; W289-F313 AromaticContact CZ2-CE1 3.59Å; W289-F313 HydrophobicContact CZ2-CE1 3.59Å; W289-F313 HydrophobicContact CZ3-CD1 4.47Å; L295-F313 HydrophobicContact CD1-CD1 3.45Å; L295-F313 VanDerWaalsContact CD1-CD1 3.45Å; L295-F313 HydrophobicContact CD1-CE1 3.72Å; L295-F313 HydrophobicContact CD1-CG 4.32Å; L295-F313 HydrophobicContact CD2-CD1 4.49Å; L299-F313 HydrophobicContact CB-CD2 4Å; L299-F313 HydrophobicContact CB-CE1 4.41Å; L299-F313 HydrophobicContact CB-CE2 3.78Å; L299-F313 HydrophobicContact CB-CG 4.42Å; L299-F313 HydrophobicContact CB-CZ 3.99Å; L299-F313 HydrophobicContact CD1-CE1 4.31Å; L299-F313 HydrophobicContact CD1-CE2 4.4Å; L299-F313 HydrophobicContact CD1-CZ 3.87Å; L299-F313 HydrophobicContact CD2-CE2 4.47Å; L299-F313 HydrophobicContact CG-CE2 4.45Å; L299-F313 HydrophobicContact CG-CZ 4.4Å; L299-F313 WeakPolarHBondContact O-CD2 3.4Å
314A96.8Very high90.2Very high27 Ų2757.8 Ų57.822%0.22334%0.343CS..  trans-149.4157.5-179.300000109.6
315I97.7Very high91Very high93 Ų9352.9 Ų52.948%0.47732%0.317SS..SBendtrans-83.2-39.8171.8-63.3-62.4000109.8E128 L132 M135 W173E128-I315 HydrophobicContact CG-CB 4.19Å; E128-I315 HydrophobicContact CG-CG1 4.18Å; E128-I315 PolarHBondContact OE1-N 3.39Å; L132-I315 HydrophobicContact CD2-CD1 4.36Å; L132-I315 HydrophobicContact CD2-CG1 4.13Å; M135-I315 HydrophobicContact CE-CD1 3.64Å; W173-I315 HydrophobicContact CZ2-CD1 4.38Å
316N97Very high91.9Very high66 Ų6650.9 Ų50.935%0.35331%0.309SS..  trans-82.9157.4179.7-62.6-64000112E128E128-N316 PolarHBondContact OE1-N 3.41Å; E128-N316 VanDerWaalsContact OE1-N 3.13Å; E128-N316 PolarHBondContact OE1-ND2 2.92Å; E128-N316 VanDerWaalsContact OE1-ND2 3.13Å; E128-N316 PolarHBondContact OE2-ND2 3.02Å
317F95.5Very high93.4Very high124 Ų12443.5 Ų43.554%0.54427%0.27SS..  trans-111.7-102.8173.4-161.4-105.4000110.9I85I85-F317 HydrophobicContact CD1-CD2 4.25Å; I85-F317 HydrophobicContact CD1-CE2 4.21Å; I85-F317 HydrophobicContact CG1-CD1 4.36Å; I85-F317 HydrophobicContact CG1-CD2 3.82Å; I85-F317 HydrophobicContact CG1-CE1 4.2Å; I85-F317 HydrophobicContact CG1-CE2 3.64Å; I85-F317 HydrophobicContact CG1-CG 4.18Å; I85-F317 HydrophobicContact CG1-CZ 3.84Å; I85-F317 HydrophobicContact CG2-CD1 4.01Å; I85-F317 HydrophobicContact CG2-CE1 3.93Å; I85-F317 HydrophobicContact CG2-CG 4.48Å; I85-F317 HydrophobicContact CG2-CZ 4.34Å
318S97.6Very high94.7Very high81 Ų8141.2 Ų41.257%0.56624%0.235SC*.SBendtrans-68.1130.7177.1-61.50000111.9N83N83-S318 PolarHBondContact ND2-OG 3.39Å; N83-S318 WeakPolarHBondContact OD1-CA 3.49Å
319R98.5Very high95.6Very high23 Ų2341.3 Ų41.39%0.08722%0.224CC..  trans-166.6160.6-179.561.1-176.1-179.984.4-10.3110.4N83 W84 N122N83-R319 PolarHBondContact OD1-N 3.17Å; N83-R319 PolarHBondContact OD1-O 3.15Å; W84-R319 HydrophobicContact CB-CG 3.92Å; W84-R319 WeakPolarHBondContact CB-O 3.1Å; W84-R319 HydrophobicContact CE3-CG 4.3Å; W84-R319 HydrophobicContact CG-CG 4.46Å; W84-R319 VanDerWaalsContact CZ2-NH2 3.32Å; W84-R319 PolarHBondContact N-O 3.11Å; N122-R319 PolarHBondContact O-NH2 2.89Å; N122-R319 VanDerWaalsContact OD1-CZ 3.25Å; N122-R319 PolarHBondContact OD1-NH1 3.49Å; N122-R319 PolarHBondContact OD1-NH2 3.21Å
320P98.4Very high96.4Very high52 Ų5235.8 Ų35.834%0.33820%0.198SC..BIsolated β-bridgetrans-66.3146.6178.427.3-35.7000112.4K82K82-P320 CarbonylContact O-C 3.55Å
321A98.8Very high97.2Very high1 Ų133.3 Ų33.31%0.00818%0.184CC..SBendtrans-92.2-2.317200000113.3K82 W84 Q323 V324 I325K82-A321 HydrophobicContact CB-CB 4.17Å; K82-A321 WeakPolarHBondContact O-CB 3.17Å; K82-A321 PolarHBondContact O-N 2.63Å; W84-A321 HydrophobicContact CB-CB 4.11Å; A321-Q323 VanDerWaalsContact C-N 3.33Å; A321-Q323 PolarHBondContact O-N 3.03Å; A321-V324 WeakPolarHBondContact O-CB 3.38Å; A321-V324 PolarHBondContact O-N 3.31Å; A321-V324 VanDerWaalsContact O-N 3.15Å; A321-I325 HydrophobicContact CB-CD1 4.46Å; A321-I325 PolarHBondContact O-N 2.82Å; A321-I325 VanDerWaalsContact O-N 3.16Å
322G98.9Very high97.8Very high1 Ų136.6 Ų36.61%0.0119%0.193CC..Hα-helixtrans-57.9-41.5-173.800000113.7V324 I325 A326G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 3.14Å; G322-I325 WeakPolarHBondContact O-CB 3.38Å; G322-I325 PolarHBondContact O-N 2.72Å; G322-I325 VanDerWaalsContact O-N 3.16Å; G322-A326 WeakPolarHBondContact O-CB 3.15Å; G322-A326 PolarHBondContact O-N 2.82Å
323Q98.9Very high98.3Very high23 Ų2342.1 Ų42.111%0.10721%0.211CC..Hα-helixtrans-64.8-34.1179.6-69.288.6-21.800113M76 P281 L282 C284 A321 Q327M76-Q323 HydrophobicContact CE-CG 4.12Å; M76-Q323 HydrophobicContact SD-CG 4.34Å; P281-Q323 HydrophobicContact CG-CG 4.28Å; L282-Q323 WeakPolarHBondContact O-CG 3.28Å; L282-Q323 PolarHBondContact O-NE2 3.01Å; C284-Q323 HydrophobicContact CB-CB 4.01Å; A321-Q323 VanDerWaalsContact C-N 3.33Å; A321-Q323 PolarHBondContact O-N 3.03Å; Q323-Q327 VanDerWaalsContact O-CB 3.3Å; Q323-Q327 WeakPolarHBondContact O-CB 3.22Å; Q323-Q327 PolarHBondContact O-N 2.95Å
324V98.9Very high98.4Very high2 Ų242.5 Ų42.51%0.01221%0.213CC..Hα-helixtrans-67.9-42.7174.6173.70000110.2I96 D97 N122 W286 A321 G322 Q327 Y328I96-V324 HydrophobicContact CG2-CG1 4.2Å; D97-V324 HydrophobicContact CB-CG1 3.9Å; N122-V324 HydrophobicContact CB-CG2 3.96Å; N122-V324 WeakPolarHBondContact OD1-CG2 3.33Å; W286-V324 HydrophobicContact CH2-CG1 4.25Å; W286-V324 HydrophobicContact CH2-CG2 4.38Å; A321-V324 WeakPolarHBondContact O-CB 3.38Å; A321-V324 PolarHBondContact O-N 3.31Å; A321-V324 VanDerWaalsContact O-N 3.15Å; G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 3.14Å; V324-Q327 PolarHBondContact O-N 3.25Å; V324-Y328 WeakPolarHBondContact O-CB 3.1Å; V324-Y328 PolarHBondContact O-N 3.38Å
325I99Very high98.5Very high20 Ų2042.6 Ų42.610%0.10322%0.217CC..Hα-helixtrans-64.1-43.7177.1-66162.9000110.7L75 S79 K82 I96 A321 G322 Y328 Y329L75-I325 HydrophobicContact CB-CG2 4.4Å; L75-I325 HydrophobicContact CD2-CG2 4.06Å; S79-I325 VanDerWaalsContact OG-CD1 3.28Å; S79-I325 WeakPolarHBondContact OG-CD1 3.33Å; K82-I325 HydrophobicContact CD-CD1 3.96Å; I96-I325 HydrophobicContact CD1-CG1 4.38Å; A321-I325 HydrophobicContact CB-CD1 4.46Å; A321-I325 PolarHBondContact O-N 2.82Å; A321-I325 VanDerWaalsContact O-N 3.16Å; G322-I325 WeakPolarHBondContact O-CB 3.38Å; G322-I325 PolarHBondContact O-N 2.72Å; G322-I325 VanDerWaalsContact O-N 3.16Å; I325-Y328 WeakPolarHBondContact O-CB 3.4Å; I325-Y328 PolarHBondContact O-N 3.06Å; I325-Y329 PolarHBondContact O-N 2.95Å
326A98.9Very high98.5Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-66.6-39.5176.200000112.2V72 M76 P281 G322 Y328 Y329 E330V72-A326 HydrophobicContact CG1-CB 4.16Å; M76-A326 HydrophobicContact SD-CB 4.31Å; P281-A326 HydrophobicContact CG-CB 3.68Å; G322-A326 WeakPolarHBondContact O-CB 3.15Å; G322-A326 PolarHBondContact O-N 2.82Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 2.86Å; A326-Y329 WeakPolarHBondContact O-CB 3.43Å; A326-Y329 PolarHBondContact O-N 3.08Å; A326-E330 PolarHBondContact O-N 3.31Å; A326-E330 VanDerWaalsContact O-N 3.13Å
327Q99Very high98.6Very high0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-60.8-42.6173.1-178.666.490.700111.5G274 G278 A280 W286 Q323 V324 Y329 E330 F331 Y339G274-Q327 VanDerWaalsContact CA-OE1 3.22Å; G278-Q327 PolarHBondContact O-NE2 3.47Å; A280-Q327 HydrophobicContact CB-CB 3.95Å; A280-Q327 HydrophobicContact CB-CG 4.43Å; W286-Q327 HydrophobicContact CZ2-CB 4.31Å; W286-Q327 HydrophobicContact CZ2-CG 3.86Å; Q323-Q327 VanDerWaalsContact O-CB 3.3Å; Q323-Q327 WeakPolarHBondContact O-CB 3.22Å; Q323-Q327 PolarHBondContact O-N 2.95Å; V324-Q327 PolarHBondContact O-N 3.25Å; Q327-Y329 VanDerWaalsContact C-N 3.31Å; Q327-Y329 PolarHBondContact O-N 3.37Å; Q327-E330 PolarHBondContact O-N 3.5Å; Q327-F331 HydrophobicContact CG-CD1 4.43Å; Q327-F331 HydrophobicContact CG-CD2 4.29Å; Q327-F331 HydrophobicContact CG-CE1 3.88Å; Q327-F331 HydrophobicContact CG-CE2 3.72Å; Q327-F331 HydrophobicContact CG-CZ 3.49Å; Q327-F331 VanDerWaalsContact CG-CZ 3.49Å; Q327-F331 WeakPolarHBondContact O-CG 3.32Å; Q327-F331 PolarHBondContact O-N 2.96Å; Q327-Y339 PolarHBondContact NE2-OH 2.88Å
328Y98.9Very high98.8Very high38 Ų3841.8 Ų41.815%0.14921%0.209CC..Hα-helixtrans-63.6-37.2177.2-174-117.4000112.3I96 R99 M103 V324 I325 A326 F331 L332I96-Y328 HydrophobicContact CD1-CD1 4.32Å; I96-Y328 HydrophobicContact CG1-CD1 4.15Å; I96-Y328 HydrophobicContact CG1-CE1 4.23Å; I96-Y328 VanDerWaalsContact CG2-CB 3.48Å; I96-Y328 HydrophobicContact CG2-CD1 3.72Å; I96-Y328 HydrophobicContact CG2-CD2 4.1Å; I96-Y328 HydrophobicContact CG2-CE1 4.46Å; I96-Y328 HydrophobicContact CG2-CG 3.51Å; R99-Y328 HydrophobicContact CB-CE2 3.99Å; R99-Y328 PolarHBondContact NH1-OH 3.33Å; M103-Y328 HydrophobicContact CE-CD2 4.48Å; M103-Y328 HydrophobicContact CE-CE2 3.74Å; M103-Y328 HydrophobicContact SD-CD2 4.32Å; M103-Y328 HydrophobicContact SD-CE2 4.15Å; V324-Y328 WeakPolarHBondContact O-CB 3.1Å; V324-Y328 PolarHBondContact O-N 3.38Å; I325-Y328 WeakPolarHBondContact O-CB 3.4Å; I325-Y328 PolarHBondContact O-N 3.06Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 2.86Å; Y328-F331 PolarHBondContact O-N 3.23Å; Y328-L332 HydrophobicContact CD1-CD1 3.95Å; Y328-L332 HydrophobicContact CD1-CG 4.41Å; Y328-L332 HydrophobicContact CD2-CG 4.45Å; Y328-L332 HydrophobicContact CE1-CD1 3.35Å; Y328-L332 HydrophobicContact CE1-CG 4.04Å; Y328-L332 HydrophobicContact CE2-CD1 4.26Å; Y328-L332 HydrophobicContact CE2-CD2 4.29Å; Y328-L332 HydrophobicContact CE2-CG 4.1Å; Y328-L332 WeakPolarHBondContact O-CG 3.45Å; Y328-L332 PolarHBondContact O-N 3.29Å
329Y98.9Very high98.8Very high40 Ų4038 Ų3816%0.15718%0.183CC..Hα-helixtrans-57.9-49.7171.2159.7-99.6000111.6D69 N71 V72 L75 I325 A326 Q327 F331 L332 R333D69-Y329 PolarHBondContact OD2-OH 3.3Å; N71-Y329 HydrophobicContact CB-CE1 4.42Å; N71-Y329 HydrophobicContact CB-CE2 4.07Å; N71-Y329 PolarHBondContact ND2-OH 2.9Å; V72-Y329 HydrophobicContact CG2-CD1 3.93Å; V72-Y329 HydrophobicContact CG2-CE1 3.84Å; L75-Y329 HydrophobicContact CD1-CD1 4.5Å; L75-Y329 HydrophobicContact CD1-CD2 4.22Å; L75-Y329 HydrophobicContact CD1-CG 3.87Å; I325-Y329 PolarHBondContact O-N 2.95Å; A326-Y329 WeakPolarHBondContact O-CB 3.43Å; A326-Y329 PolarHBondContact O-N 3.08Å; Q327-Y329 VanDerWaalsContact C-N 3.31Å; Q327-Y329 PolarHBondContact O-N 3.37Å; Y329-F331 VanDerWaalsContact C-N 3.33Å; Y329-F331 PolarHBondContact O-N 3.08Å; Y329-L332 PolarHBondContact O-N 3.25Å; Y329-R333 HydrophobicContact CD2-CB 4.43Å; Y329-R333 HydrophobicContact CE2-CB 4.21Å; Y329-R333 HydrophobicContact CE2-CG 4.48Å; Y329-R333 WeakPolarHBondContact O-CB 3.48Å; Y329-R333 PolarHBondContact O-N 3.27Å; Y329-R333 WeakPolarHBondContact OH-CD 3.38Å
330E98.9Very high98.9Very high2 Ų239.1 Ų39.11%0.00919%0.192CC..Hα-helixtrans-61.9-41.3178.7-66.3-65.8169.500111.5L279 A326 Q327 L332 L334 R427L279-E330 HydrophobicContact CB-CB 4.49Å; L279-E330 HydrophobicContact CB-CG 4.14Å; A326-E330 PolarHBondContact O-N 3.31Å; A326-E330 VanDerWaalsContact O-N 3.13Å; Q327-E330 PolarHBondContact O-N 3.5Å; E330-L332 PolarHBondContact O-N 2.99Å; E330-L334 VanDerWaalsContact O-CB 3.26Å; E330-L334 WeakPolarHBondContact O-CB 3.34Å; E330-L334 WeakPolarHBondContact O-CG 3.17Å; E330-L334 PolarHBondContact O-N 2.95Å; E330-L334 VanDerWaalsContact O-N 3.08Å; E330-L334 WeakPolarHBondContact OE2-CD1 3.4Å; E330-R427 IonicContact OE1-NH1 2.7Å; E330-R427 PolarHBondContact OE1-NH1 3.23Å; E330-R427 IonicContact OE2-NH1 3.65Å; E330-R427 PolarHBondContact OE2-NH1 2.88Å
331F98.9Very high98.9Very high26 Ų2643 Ų4311%0.11420%0.203CC..Hα-helixtrans-58.5-49.5174.9-68.7-11.9000112.4C100 M103 V104 F249 Q327 Y328 Y329 G335 Y339C100-F331 HydrophobicContact CB-CE2 4.08Å; M103-F331 HydrophobicContact CB-CD2 4.31Å; M103-F331 HydrophobicContact CB-CE2 4.48Å; M103-F331 HydrophobicContact SD-CB 4.1Å; M103-F331 HydrophobicContact SD-CD2 3.9Å; M103-F331 HydrophobicContact SD-CG 4.43Å; V104-F331 HydrophobicContact CG2-CE2 3.87Å; V104-F331 HydrophobicContact CG2-CZ 3.7Å; F249-F331 AromaticContact CE1-CE1 3.91Å; F249-F331 HydrophobicContact CE1-CE1 3.91Å; F249-F331 AromaticContact CE1-CZ 3.94Å; F249-F331 HydrophobicContact CE1-CZ 3.94Å; F249-F331 HydrophobicContact CZ-CZ 4.32Å; Q327-F331 HydrophobicContact CG-CD1 4.43Å; Q327-F331 HydrophobicContact CG-CD2 4.29Å; Q327-F331 HydrophobicContact CG-CE1 3.88Å; Q327-F331 HydrophobicContact CG-CE2 3.72Å; Q327-F331 HydrophobicContact CG-CZ 3.49Å; Q327-F331 VanDerWaalsContact CG-CZ 3.49Å; Q327-F331 WeakPolarHBondContact O-CG 3.32Å; Q327-F331 PolarHBondContact O-N 2.96Å; Y328-F331 PolarHBondContact O-N 3.23Å; Y329-F331 VanDerWaalsContact C-N 3.33Å; Y329-F331 PolarHBondContact O-N 3.08Å; F331-G335 WeakPolarHBondContact O-CA 3.39Å; F331-G335 PolarHBondContact O-N 2.82Å; F331-Y339 HydrophobicContact CD1-CE2 4.07Å; F331-Y339 WeakPolarHBondContact CD1-OH 3.34Å
332L98.8Very high98.9Very high106 Ų10644.4 Ų44.456%0.55521%0.212SC*.Hα-helixtrans-70.7-43.9-178.1-74.2-173.7000113.1M103 Y328 Y329 E330M103-L332 HydrophobicContact CE-CD2 4.26Å; Y328-L332 HydrophobicContact CD1-CD1 3.95Å; Y328-L332 HydrophobicContact CD1-CG 4.41Å; Y328-L332 HydrophobicContact CD2-CG 4.45Å; Y328-L332 HydrophobicContact CE1-CD1 3.35Å; Y328-L332 HydrophobicContact CE1-CG 4.04Å; Y328-L332 HydrophobicContact CE2-CD1 4.26Å; Y328-L332 HydrophobicContact CE2-CD2 4.29Å; Y328-L332 HydrophobicContact CE2-CG 4.1Å; Y328-L332 WeakPolarHBondContact O-CG 3.45Å; Y328-L332 PolarHBondContact O-N 3.29Å; Y329-L332 PolarHBondContact O-N 3.25Å; E330-L332 PolarHBondContact O-N 2.99Å
333R98.8Very high98.9Very high142 Ų14244.4 Ų44.454%0.53621%0.212SC..Hα-helixtrans-68.5-37.5-175.4171.1-177.7141.177.20.7111.8Y329Y329-R333 HydrophobicContact CD2-CB 4.43Å; Y329-R333 HydrophobicContact CE2-CB 4.21Å; Y329-R333 HydrophobicContact CE2-CG 4.48Å; Y329-R333 WeakPolarHBondContact O-CB 3.48Å; Y329-R333 PolarHBondContact O-N 3.27Å; Y329-R333 WeakPolarHBondContact OH-CD 3.38Å
334L98.9Very high98.9Very high25 Ų2546 Ų4613%0.13122%0.221CC..Hα-helixtrans-94.8-47.8-175.2-62.5175.9000111.8L279 E330 G338 Y339 V342L279-L334 HydrophobicContact CD1-CD1 3.49Å; L279-L334 VanDerWaalsContact CD1-CD1 3.49Å; E330-L334 VanDerWaalsContact O-CB 3.26Å; E330-L334 WeakPolarHBondContact O-CB 3.34Å; E330-L334 WeakPolarHBondContact O-CG 3.17Å; E330-L334 PolarHBondContact O-N 2.95Å; E330-L334 VanDerWaalsContact O-N 3.08Å; E330-L334 WeakPolarHBondContact OE2-CD1 3.4Å; L334-G338 WeakPolarHBondContact O-CA 3.43Å; L334-G338 PolarHBondContact O-N 2.81Å; L334-Y339 HydrophobicContact CB-CD2 3.63Å; L334-Y339 HydrophobicContact CB-CE2 3.91Å; L334-Y339 HydrophobicContact CD1-CD2 3.88Å; L334-Y339 HydrophobicContact CD1-CE2 3.74Å; L334-Y339 HydrophobicContact CD1-CG 4.41Å; L334-Y339 HydrophobicContact CG-CD2 4.42Å; L334-Y339 HydrophobicContact CG-CE2 4.42Å; L334-V342 HydrophobicContact CD1-CG2 4.45Å; L334-V342 HydrophobicContact CD2-CG2 4.27Å
335G98.8Very high98.9Very high30 Ų3047.1 Ų47.131%0.30923%0.231SC..Hα-helixtrans56-170-165.800000112.8F331 E337 G338 Y339F331-G335 WeakPolarHBondContact O-CA 3.39Å; F331-G335 PolarHBondContact O-N 2.82Å; G335-E337 VanDerWaalsContact C-N 3.33Å; G335-E337 PolarHBondContact O-N 2.89Å; G335-G338 PolarHBondContact O-N 3.24Å; G335-Y339 WeakPolarHBondContact O-CD2 3.35Å; G335-Y339 PolarHBondContact O-N 3.42Å
336R98.8Very high98.9Very high115 Ų11546.3 Ų46.343%0.43423%0.227SC..Hα-helixtrans-61.1-40.5180-68.7178.7-179.5-97.94112.3D106 F253 T340D106-R336 IonicContact OD2-CZ 3.9Å; D106-R336 IonicContact OD2-NH2 2.79Å; D106-R336 PolarHBondContact OD2-NH2 3.22Å; F253-R336 HydrophobicContact CE1-CG 4.29Å; R336-T340 WeakPolarHBondContact O-CB 3.3Å; R336-T340 PolarHBondContact O-N 2.71Å; R336-T340 PolarHBondContact O-OG1 2.92Å
337E98.8Very high98.9Very high139 Ų13946.7 Ų46.765%0.6523%0.228SC*.Hα-helixtrans-62.5-49.5178.1-172.7-161.4140.100111.6G335 T340 K341G335-E337 VanDerWaalsContact C-N 3.33Å; G335-E337 PolarHBondContact O-N 2.89Å; E337-T340 WeakPolarHBondContact O-CB 3.38Å; E337-T340 PolarHBondContact O-N 2.75Å; E337-K341 HydrophobicContact CG-CD 4.14Å; E337-K341 WeakPolarHBondContact O-CG 3.46Å; E337-K341 PolarHBondContact O-N 2.94Å; E337-K341 IonicContact OE1-NZ 3.89Å
338G98.8Very high98.9Very high11 Ų1152.6 Ų52.611%0.11326%0.256CS..Hα-helixtrans-64.9-44.3-178.600000112.3L334 G335 T340 K341 V342L334-G338 WeakPolarHBondContact O-CA 3.43Å; L334-G338 PolarHBondContact O-N 2.81Å; G335-G338 PolarHBondContact O-N 3.24Å; G338-T340 VanDerWaalsContact C-N 3.33Å; G338-T340 PolarHBondContact O-N 2.86Å; G338-K341 PolarHBondContact O-N 3.27Å; G338-V342 WeakPolarHBondContact O-CG2 3.36Å; G338-V342 PolarHBondContact O-N 2.88Å
339Y98.9Very high98.9Very high3 Ų351 Ų511%0.01225%0.25CC..Hα-helixtrans-59.7-45.1173.8-91.7-92.9000111F253 G278 L279 Q327 F331 L334 G335 K341 V342 Q343F253-Y339 HydrophobicContact CD2-CD1 4.17Å; F253-Y339 HydrophobicContact CD2-CG 4.35Å; F253-Y339 HydrophobicContact CE1-CG 4.04Å; F253-Y339 AromaticContact CE2-CD1 3.58Å; F253-Y339 HydrophobicContact CE2-CD1 3.58Å; F253-Y339 HydrophobicContact CE2-CE1 4.37Å; F253-Y339 AromaticContact CE2-CG 3.85Å; F253-Y339 HydrophobicContact CE2-CG 3.85Å; F253-Y339 AromaticContact CZ-CD1 3.82Å; F253-Y339 HydrophobicContact CZ-CD1 3.82Å; F253-Y339 HydrophobicContact CZ-CD2 4.28Å; F253-Y339 AromaticContact CZ-CG 3.67Å; F253-Y339 HydrophobicContact CZ-CG 3.67Å; G278-Y339 PolarHBondContact O-OH 3.05Å; L279-Y339 HydrophobicContact CD1-CD1 4.11Å; L279-Y339 HydrophobicContact CD1-CE1 3.66Å; L279-Y339 HydrophobicContact CG-CE1 3.79Å; Q327-Y339 PolarHBondContact NE2-OH 2.88Å; F331-Y339 HydrophobicContact CD1-CE2 4.07Å; F331-Y339 WeakPolarHBondContact CD1-OH 3.34Å; L334-Y339 HydrophobicContact CB-CD2 3.63Å; L334-Y339 HydrophobicContact CB-CE2 3.91Å; L334-Y339 HydrophobicContact CD1-CD2 3.88Å; L334-Y339 HydrophobicContact CD1-CE2 3.74Å; L334-Y339 HydrophobicContact CD1-CG 4.41Å; L334-Y339 HydrophobicContact CG-CD2 4.42Å; L334-Y339 HydrophobicContact CG-CE2 4.42Å; G335-Y339 WeakPolarHBondContact O-CD2 3.35Å; G335-Y339 PolarHBondContact O-N 3.42Å; Y339-K341 VanDerWaalsContact C-N 3.26Å; Y339-K341 PolarHBondContact O-N 3.37Å; Y339-V342 PolarHBondContact O-N 3.09Å; Y339-Q343 VanDerWaalsContact O-CG 3.29Å; Y339-Q343 WeakPolarHBondContact O-CG 3.12Å; Y339-Q343 PolarHBondContact O-N 3.19Å
340T98.9Very high98.9Very high46 Ų4649.1 Ų49.128%0.28224%0.242SC..Hα-helixtrans-54.7-43.4176.6-57.70000111.6R336 E337 G338 N344R336-T340 WeakPolarHBondContact O-CB 3.3Å; R336-T340 PolarHBondContact O-N 2.71Å; R336-T340 PolarHBondContact O-OG1 2.92Å; E337-T340 WeakPolarHBondContact O-CB 3.38Å; E337-T340 PolarHBondContact O-N 2.75Å; G338-T340 VanDerWaalsContact C-N 3.33Å; G338-T340 PolarHBondContact O-N 2.86Å; T340-N344 WeakPolarHBondContact CG2-ND2 3.45Å; T340-N344 VanDerWaalsContact O-CB 3.27Å; T340-N344 WeakPolarHBondContact O-CB 3.46Å; T340-N344 VanDerWaalsContact O-CG 3.32Å; T340-N344 PolarHBondContact O-N 2.79Å; T340-N344 VanDerWaalsContact O-N 3.12Å; T340-N344 PolarHBondContact O-ND2 3.04Å
341K98.9Very high98.9Very high133 Ų13350.8 Ų50.858%0.57826%0.257SS*.Hα-helixtrans-67-47.1177.6-69.5159.464.7177.30112.3E337 G338 Y339 N344 A345E337-K341 HydrophobicContact CG-CD 4.14Å; E337-K341 WeakPolarHBondContact O-CG 3.46Å; E337-K341 PolarHBondContact O-N 2.94Å; E337-K341 IonicContact OE1-NZ 3.89Å; G338-K341 PolarHBondContact O-N 3.27Å; Y339-K341 VanDerWaalsContact C-N 3.26Å; Y339-K341 PolarHBondContact O-N 3.37Å; K341-N344 PolarHBondContact O-N 2.82Å; K341-A345 PolarHBondContact O-N 3.46Å
342V98.9Very high98.9Very high31 Ų3152.4 Ų52.419%0.18826%0.262CS..Hα-helixtrans-62.8-48.3-179.3172.30000111.1L279 L334 G338 Y339 N344 A345 S346L279-V342 HydrophobicContact CD1-CB 4.49Å; L279-V342 HydrophobicContact CD1-CG1 3.9Å; L279-V342 HydrophobicContact CD2-CG1 4.33Å; L334-V342 HydrophobicContact CD1-CG2 4.45Å; L334-V342 HydrophobicContact CD2-CG2 4.27Å; G338-V342 WeakPolarHBondContact O-CG2 3.36Å; G338-V342 PolarHBondContact O-N 2.88Å; Y339-V342 PolarHBondContact O-N 3.09Å; V342-N344 PolarHBondContact O-N 3.1Å; V342-A345 PolarHBondContact O-N 3.19Å; V342-S346 PolarHBondContact O-N 3.35Å
343Q98.9Very high98.9Very high1 Ų147.4 Ų47.41%0.00524%0.236CC..Hα-helixtrans-65.9-41.6-179.1-55.9-48.8-4.800111.6F249 L250 F253 V254 F277 Y339 A345 S346 Y347F249-Q343 PolarHBondContact O-NE2 2.79Å; L250-Q343 HydrophobicContact CD2-CB 4.02Å; L250-Q343 HydrophobicContact CD2-CG 3.87Å; F253-Q343 HydrophobicContact CD2-CG 4.38Å; V254-Q343 HydrophobicContact CG1-CB 3.77Å; F277-Q343 PolarHBondContact O-NE2 3.23Å; Y339-Q343 VanDerWaalsContact O-CG 3.29Å; Y339-Q343 WeakPolarHBondContact O-CG 3.12Å; Y339-Q343 PolarHBondContact O-N 3.19Å; Q343-A345 VanDerWaalsContact C-N 3.28Å; Q343-A345 PolarHBondContact O-N 3.47Å; Q343-S346 PolarHBondContact O-N 3.04Å; Q343-S346 VanDerWaalsContact O-N 3.15Å; Q343-Y347 HydrophobicContact CB-CD2 4.49Å; Q343-Y347 HydrophobicContact CB-CE2 4.47Å; Q343-Y347 WeakPolarHBondContact O-CD2 3.42Å; Q343-Y347 PolarHBondContact O-N 3.11Å
344N98.9Very high98.9Very high55 Ų5540.8 Ų40.829%0.29421%0.212SC..Hα-helixtrans-60.2-35.8177.8-84.1-48.1000112.9T340 K341 V342 S346 Y347 Q348T340-N344 WeakPolarHBondContact CG2-ND2 3.45Å; T340-N344 VanDerWaalsContact O-CB 3.27Å; T340-N344 WeakPolarHBondContact O-CB 3.46Å; T340-N344 VanDerWaalsContact O-CG 3.32Å; T340-N344 PolarHBondContact O-N 2.79Å; T340-N344 VanDerWaalsContact O-N 3.12Å; T340-N344 PolarHBondContact O-ND2 3.04Å; K341-N344 PolarHBondContact O-N 2.82Å; V342-N344 PolarHBondContact O-N 3.1Å; N344-S346 PolarHBondContact O-N 3.38Å; N344-Y347 PolarHBondContact O-N 3.09Å; N344-Q348 VanDerWaalsContact O-CG 3.24Å; N344-Q348 WeakPolarHBondContact O-CG 3.47Å; N344-Q348 PolarHBondContact O-N 2.88Å
345A98.9Very high98.9Very high27 Ų2744.8 Ų44.822%0.22323%0.234CC..Hα-helixtrans-60.3-45.1174.800000111.8K341 V342 Q343 Y347 Q348 V349K341-A345 PolarHBondContact O-N 3.46Å; V342-A345 PolarHBondContact O-N 3.19Å; Q343-A345 VanDerWaalsContact C-N 3.28Å; Q343-A345 PolarHBondContact O-N 3.47Å; A345-Y347 PolarHBondContact O-N 3.38Å; A345-Q348 PolarHBondContact O-N 3.46Å; A345-V349 WeakPolarHBondContact O-CG2 3.17Å; A345-V349 PolarHBondContact O-N 2.93Å; A345-V349 VanDerWaalsContact O-N 3.13Å
346S98.9Very high98.9Very high3 Ų345.8 Ų45.82%0.02123%0.23CC..Hα-helixtrans-64.5-38.1175.2-62.60000112.9V342 Q343 N344 V349 A350V342-S346 PolarHBondContact O-N 3.35Å; Q343-S346 PolarHBondContact O-N 3.04Å; Q343-S346 VanDerWaalsContact O-N 3.15Å; N344-S346 PolarHBondContact O-N 3.38Å; S346-V349 PolarHBondContact O-N 3.47Å; S346-A350 WeakPolarHBondContact O-CB 3.47Å; S346-A350 PolarHBondContact O-N 3.23Å
347Y98.9Very high98.9Very high7 Ų740.3 Ų40.33%0.02721%0.21CC..Hα-helixtrans-65.6-38.3174.1-80.9-72000112.8Y217 L250 V254 Q343 N344 A345 V349 A350 A351 G369 P371 G374 P376Y217-Y347 PolarHBondContact OH-OH 3.33Å; L250-Y347 HydrophobicContact CD2-CE2 3.8Å; V254-Y347 HydrophobicContact CB-CD2 4.48Å; V254-Y347 HydrophobicContact CB-CE2 4.24Å; V254-Y347 HydrophobicContact CG1-CD2 4.12Å; V254-Y347 HydrophobicContact CG1-CE2 4.1Å; V254-Y347 HydrophobicContact CG2-CD2 4.15Å; V254-Y347 HydrophobicContact CG2-CE2 3.46Å; V254-Y347 VanDerWaalsContact CG2-CE2 3.46Å; Q343-Y347 HydrophobicContact CB-CD2 4.49Å; Q343-Y347 HydrophobicContact CB-CE2 4.47Å; Q343-Y347 WeakPolarHBondContact O-CD2 3.42Å; Q343-Y347 PolarHBondContact O-N 3.11Å; N344-Y347 PolarHBondContact O-N 3.09Å; A345-Y347 PolarHBondContact O-N 3.38Å; Y347-V349 VanDerWaalsContact C-N 3.35Å; Y347-V349 PolarHBondContact O-N 2.93Å; Y347-A350 PolarHBondContact O-N 2.7Å; Y347-A351 WeakPolarHBondContact O-CB 3.34Å; Y347-A351 PolarHBondContact O-N 2.92Å; Y347-G369 WeakPolarHBondContact CD1-O 3.37Å; Y347-P371 HydrophobicContact CD1-CB 4.43Å; Y347-P371 HydrophobicContact CD1-CG 3.82Å; Y347-P371 HydrophobicContact CD2-CG 4.2Å; Y347-P371 HydrophobicContact CE1-CB 4.31Å; Y347-P371 HydrophobicContact CE1-CG 4.2Å; Y347-P371 HydrophobicContact CG-CG 3.82Å; Y347-G374 VanDerWaalsContact CE1-O 3.31Å; Y347-G374 WeakPolarHBondContact CE1-O 3.44Å; Y347-G374 PolarHBondContact OH-O 3.45Å; Y347-P376 HydrophobicContact CD1-CB 3.84Å; Y347-P376 HydrophobicContact CD2-CB 4.48Å; Y347-P376 HydrophobicContact CE1-CB 4.11Å; Y347-P376 HydrophobicContact CE1-CG 4.48Å; Y347-P376 HydrophobicContact CE2-CG 4.49Å; Y347-P376 HydrophobicContact CG-CB 4.05Å
348Q98.9Very high98.9Very high125 Ų12536.1 Ų36.158%0.58420%0.199SC*.Hα-helixtrans-61.3-43.9175.3-73.9167-1700111.5N344 A345 Y352N344-Q348 VanDerWaalsContact O-CG 3.24Å; N344-Q348 WeakPolarHBondContact O-CG 3.47Å; N344-Q348 PolarHBondContact O-N 2.88Å; A345-Q348 PolarHBondContact O-N 3.46Å; Q348-Y352 VanDerWaalsContact O-CB 3.3Å; Q348-Y352 WeakPolarHBondContact O-CB 3.37Å; Q348-Y352 PolarHBondContact O-N 3.01Å
349V98.9Very high98.9Very high4 Ų442.1 Ų42.12%0.02422%0.221CC..Hα-helixtrans-64.4-42.5175.7174.60000111.5A345 S346 Y347 Y352 L353 C425 F429 M431 A434A345-V349 WeakPolarHBondContact O-CG2 3.17Å; A345-V349 PolarHBondContact O-N 2.93Å; A345-V349 VanDerWaalsContact O-N 3.13Å; S346-V349 PolarHBondContact O-N 3.47Å; Y347-V349 VanDerWaalsContact C-N 3.35Å; Y347-V349 PolarHBondContact O-N 2.93Å; V349-Y352 PolarHBondContact O-N 3.17Å; V349-L353 HydrophobicContact CG1-CD1 4.37Å; V349-L353 PolarHBondContact O-N 3.21Å; V349-C425 HydrophobicContact CG1-CB 4.4Å; V349-F429 HydrophobicContact CG1-CD1 3.68Å; V349-F429 HydrophobicContact CG1-CE1 3.56Å; V349-M431 HydrophobicContact CG2-CE 4.05Å; V349-M431 HydrophobicContact CG2-SD 4.48Å; V349-A434 HydrophobicContact CG1-CB 3.72Å
350A98.9Very high98.9Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-63.2-46.9178.300000112.1S346 Y347 L353 A354 P376 V378 C425S346-A350 WeakPolarHBondContact O-CB 3.47Å; S346-A350 PolarHBondContact O-N 3.23Å; Y347-A350 PolarHBondContact O-N 2.7Å; A350-L353 PolarHBondContact O-N 3.39Å; A350-A354 PolarHBondContact O-N 2.95Å; A350-P376 HydrophobicContact CB-CB 3.98Å; A350-V378 HydrophobicContact CB-CG2 4.45Å; A350-V378 WeakPolarHBondContact O-CG2 3.49Å; A350-C425 HydrophobicContact CB-CB 4.18Å
351A98.8Very high98.8Very high37 Ų3743.2 Ų43.231%0.30623%0.231SC..Hα-helixtrans-62.7-42.5176.900000111.9Y347 L353 A354 D355Y347-A351 WeakPolarHBondContact O-CB 3.34Å; Y347-A351 PolarHBondContact O-N 2.92Å; A351-L353 PolarHBondContact O-N 3.08Å; A351-A354 PolarHBondContact O-N 3.4Å; A351-D355 PolarHBondContact O-N 3Å
352Y98.9Very high98.8Very high61 Ų6138.2 Ų38.224%0.23921%0.212CC..Hα-helixtrans-57.9-48.6175171.4-110.3000112.1Q348 V349 A354 D355 E356 M431 A434 E435 L438Q348-Y352 VanDerWaalsContact O-CB 3.3Å; Q348-Y352 WeakPolarHBondContact O-CB 3.37Å; Q348-Y352 PolarHBondContact O-N 3.01Å; V349-Y352 PolarHBondContact O-N 3.17Å; Y352-A354 VanDerWaalsContact C-N 3.33Å; Y352-A354 PolarHBondContact O-N 3.35Å; Y352-D355 PolarHBondContact O-N 2.92Å; Y352-E356 HydrophobicContact CD2-CG 3.95Å; Y352-E356 HydrophobicContact CE1-CG 4.39Å; Y352-E356 HydrophobicContact CE2-CG 3.48Å; Y352-E356 VanDerWaalsContact CE2-CG 3.48Å; Y352-E356 WeakPolarHBondContact O-CG 3.31Å; Y352-E356 PolarHBondContact O-N 3.09Å; Y352-M431 HydrophobicContact CD1-CE 4.47Å; Y352-M431 HydrophobicContact CD1-SD 3.33Å; Y352-M431 WeakPolarHBondContact CD1-SD 3.43Å; Y352-M431 HydrophobicContact CD2-SD 4.31Å; Y352-M431 HydrophobicContact CE1-SD 3.79Å; Y352-M431 HydrophobicContact CG-CE 4.27Å; Y352-M431 HydrophobicContact CG-SD 3.61Å; Y352-A434 HydrophobicContact CD1-CB 4.17Å; Y352-A434 HydrophobicContact CE1-CB 4.28Å; Y352-E435 HydrophobicContact CE1-CG 4.33Å; Y352-L438 HydrophobicContact CD1-CD1 4.38Å; Y352-L438 HydrophobicContact CE1-CD1 3.48Å; Y352-L438 VanDerWaalsContact CE1-CD1 3.48Å
353L98.9Very high98.8Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-63.5-38.4177.4-76.4178.4000112.4V349 A350 A351 I357 V378 I423 F429 A434 L437 L438V349-L353 HydrophobicContact CG1-CD1 4.37Å; V349-L353 PolarHBondContact O-N 3.21Å; A350-L353 PolarHBondContact O-N 3.39Å; A351-L353 PolarHBondContact O-N 3.08Å; L353-I357 HydrophobicContact CB-CD1 4.33Å; L353-I357 WeakPolarHBondContact O-CB 3.28Å; L353-I357 WeakPolarHBondContact O-CD1 3.37Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 2.72Å; L353-V378 HydrophobicContact CB-CG2 4.02Å; L353-I423 HydrophobicContact CD1-CG2 4.01Å; L353-F429 HydrophobicContact CD1-CE1 3.71Å; L353-F429 HydrophobicContact CD1-CZ 4.09Å; L353-A434 HydrophobicContact CD1-CB 4.33Å; L353-A434 HydrophobicContact CD2-CB 4.01Å; L353-A434 HydrophobicContact CG-CB 4.09Å; L353-L437 HydrophobicContact CD1-CD2 3.99Å; L353-L437 HydrophobicContact CD2-CD2 4.07Å; L353-L438 HydrophobicContact CD2-CD1 4.12Å; L353-L438 HydrophobicContact CD2-CD2 3.95Å; L353-L438 HydrophobicContact CD2-CG 3.78Å
354A98.9Very high98.8Very high4 Ų441.3 Ų41.33%0.03322%0.224CC..Hα-helixtrans-60.1-49.217600000111.3A350 A351 Y352 A358 F365 V378A350-A354 PolarHBondContact O-N 2.95Å; A351-A354 PolarHBondContact O-N 3.4Å; Y352-A354 VanDerWaalsContact C-N 3.33Å; Y352-A354 PolarHBondContact O-N 3.35Å; A354-A358 WeakPolarHBondContact O-CB 3.47Å; A354-A358 PolarHBondContact O-N 2.89Å; A354-A358 VanDerWaalsContact O-N 3.12Å; A354-F365 HydrophobicContact CB-CE1 4.24Å; A354-F365 WeakPolarHBondContact O-CZ 3.48Å; A354-V378 HydrophobicContact CB-CG1 4.13Å; A354-V378 HydrophobicContact CB-CG2 4.15Å
355D98.8Very high98.8Very high109 Ų10941.2 Ų41.258%0.58322%0.222SC*.Hα-helixtrans-63.5-42.9179.5-79.2-9.1000112.5A351 Y352 K359A351-D355 PolarHBondContact O-N 3Å; Y352-D355 PolarHBondContact O-N 2.92Å; D355-K359 VanDerWaalsContact O-CE 3.27Å; D355-K359 WeakPolarHBondContact O-CE 3.39Å
356E98.9Very high98.8Very high51 Ų5141.3 Ų41.324%0.23822%0.218CC..Hα-helixtrans-73.6-43.4-179-68.8-53.3136.400112.6Y352 A358 K359 L360 L438Y352-E356 HydrophobicContact CD2-CG 3.95Å; Y352-E356 HydrophobicContact CE1-CG 4.39Å; Y352-E356 HydrophobicContact CE2-CG 3.48Å; Y352-E356 VanDerWaalsContact CE2-CG 3.48Å; Y352-E356 WeakPolarHBondContact O-CG 3.31Å; Y352-E356 PolarHBondContact O-N 3.09Å; E356-A358 VanDerWaalsContact C-N 3.27Å; E356-A358 PolarHBondContact O-N 2.68Å; E356-K359 WeakPolarHBondContact O-CB 3.41Å; E356-K359 PolarHBondContact O-N 2.86Å; E356-K359 IonicContact OE1-NZ 3.65Å; E356-K359 PolarHBondContact OE1-NZ 3.01Å; E356-K359 IonicContact OE2-NZ 3.2Å; E356-K359 PolarHBondContact OE2-NZ 2.98Å; E356-K359 VanDerWaalsContact OE2-NZ 3.16Å; E356-L360 WeakPolarHBondContact O-CG 3.49Å; E356-L438 HydrophobicContact CB-CD1 3.59Å; E356-L438 HydrophobicContact CB-CD2 3.79Å; E356-L438 HydrophobicContact CB-CG 4.37Å; E356-L438 HydrophobicContact CG-CD1 3.75Å
357I98.9Very high98.8Very high0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-63.7-35.8178.9-69.6170.4000110.8L353 K359 L360 Y363 F365 F380 I423 L438 Y441L353-I357 HydrophobicContact CB-CD1 4.33Å; L353-I357 WeakPolarHBondContact O-CB 3.28Å; L353-I357 WeakPolarHBondContact O-CD1 3.37Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 2.72Å; I357-K359 PolarHBondContact O-N 3.36Å; I357-L360 PolarHBondContact O-N 3.13Å; I357-Y363 HydrophobicContact CG2-CD2 3.71Å; I357-Y363 HydrophobicContact CG2-CE2 3.66Å; I357-Y363 WeakPolarHBondContact O-CD2 3.34Å; I357-Y363 VanDerWaalsContact O-CE2 3.31Å; I357-Y363 WeakPolarHBondContact O-CE2 3.31Å; I357-F365 HydrophobicContact CB-CZ 4.34Å; I357-F365 HydrophobicContact CG2-CZ 4.14Å; I357-F380 HydrophobicContact CD1-CE1 4.44Å; I357-F380 HydrophobicContact CG2-CE1 4.07Å; I357-F380 HydrophobicContact CG2-CE2 4.45Å; I357-F380 HydrophobicContact CG2-CZ 4.02Å; I357-I423 HydrophobicContact CD1-CD1 3.51Å; I357-L438 HydrophobicContact CG1-CD2 3.94Å; I357-Y441 HydrophobicContact CD1-CE2 4.21Å; I357-Y441 HydrophobicContact CG1-CE2 4.32Å; I357-Y441 HydrophobicContact CG2-CE2 4.5Å
358A98.7Very high98.8Very high51 Ų5142.9 Ų42.942%0.42123%0.228SC..THydrogen-bonded Turntrans-56.9-24.8178.400000113.6A354 E356 F365A354-A358 WeakPolarHBondContact O-CB 3.47Å; A354-A358 PolarHBondContact O-N 2.89Å; A354-A358 VanDerWaalsContact O-N 3.12Å; E356-A358 VanDerWaalsContact C-N 3.27Å; E356-A358 PolarHBondContact O-N 2.68Å; A358-F365 HydrophobicContact CB-CE2 3.57Å; A358-F365 HydrophobicContact CB-CZ 3.85Å
359K98.8Very high98.8Very high136 Ų13637 Ų3759%0.59120%0.2SC*.THydrogen-bonded Turntrans-82.8-12.2179.6-57.6164.5-167.2169.90113.2D355 E356 I357D355-K359 VanDerWaalsContact O-CE 3.27Å; D355-K359 WeakPolarHBondContact O-CE 3.39Å; E356-K359 WeakPolarHBondContact O-CB 3.41Å; E356-K359 PolarHBondContact O-N 2.86Å; E356-K359 IonicContact OE1-NZ 3.65Å; E356-K359 PolarHBondContact OE1-NZ 3.01Å; E356-K359 IonicContact OE2-NZ 3.2Å; E356-K359 PolarHBondContact OE2-NZ 2.98Å; E356-K359 VanDerWaalsContact OE2-NZ 3.16Å; I357-K359 PolarHBondContact O-N 3.36Å
360L98.8Very high98.8Very high49 Ų4942.1 Ų42.126%0.25722%0.219SC..SBendtrans-100.3-9.5-167.5-55.2-178000114.4E356 I357 Y363 L438 Y441 K442 L445E356-L360 WeakPolarHBondContact O-CG 3.49Å; I357-L360 PolarHBondContact O-N 3.13Å; L360-Y363 HydrophobicContact CB-CE2 4.44Å; L360-L438 HydrophobicContact CD1-CD2 4.41Å; L360-Y441 HydrophobicContact CD1-CD1 3.91Å; L360-Y441 HydrophobicContact CD1-CE1 4.32Å; L360-Y441 HydrophobicContact CD1-CG 4.49Å; L360-K442 HydrophobicContact CD1-CG 4.08Å; L360-K442 HydrophobicContact CD2-CG 4.13Å; L360-L445 HydrophobicContact CB-CD1 3.82Å; L360-L445 WeakPolarHBondContact O-CD1 3.32Å
361G98Very high98.8Very high24 Ų2443.9 Ų43.925%0.24723%0.231CC..SBendtrans-173.3174-179.200000114.1Y363G361-Y363 PolarHBondContact O-N 3.49Å
362P98.5Very high98.7Very high27 Ų2745.7 Ų45.718%0.17524%0.235CC..SBendtrans-79.465.7-179.333.9-35.4000111.1L382 K383 E386 P388P362-L382 HydrophobicContact CG-CD2 4.49Å; P362-K383 HydrophobicContact CB-CD 4.4Å; P362-K383 WeakPolarHBondContact O-CB 3.27Å; P362-K383 WeakPolarHBondContact O-CG 3.38Å; P362-K383 PolarHBondContact O-N 3.39Å; P362-E386 HydrophobicContact CB-CB 3.99Å; P362-E386 HydrophobicContact CB-CG 4.03Å; P362-E386 HydrophobicContact CG-CB 4.08Å; P362-P388 HydrophobicContact CG-CB 3.96Å; P362-P388 HydrophobicContact CG-CG 4.2Å
363Y98.8Very high98.7Very high12 Ų1246.2 Ų46.25%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-93.5148.2-177.4-50.4-51.4000112.7I357 L360 G361 F380 K381 L382 K383 Y390 L392 Y441I357-Y363 HydrophobicContact CG2-CD2 3.71Å; I357-Y363 HydrophobicContact CG2-CE2 3.66Å; I357-Y363 WeakPolarHBondContact O-CD2 3.34Å; I357-Y363 VanDerWaalsContact O-CE2 3.31Å; I357-Y363 WeakPolarHBondContact O-CE2 3.31Å; L360-Y363 HydrophobicContact CB-CE2 4.44Å; G361-Y363 PolarHBondContact O-N 3.49Å; Y363-F380 AromaticContact CD1-CD2 3.65Å; Y363-F380 HydrophobicContact CD1-CD2 3.65Å; Y363-F380 AromaticContact CD1-CE2 3.77Å; Y363-F380 HydrophobicContact CD1-CE2 3.77Å; Y363-F380 HydrophobicContact CD2-CD2 4.37Å; Y363-F380 HydrophobicContact CD2-CE2 4.39Å; Y363-F380 HydrophobicContact CE1-CD2 4.28Å; Y363-F380 AromaticContact CE1-CE2 3.92Å; Y363-F380 HydrophobicContact CE1-CE2 3.92Å; Y363-F380 HydrophobicContact CE2-CE2 4.48Å; Y363-F380 AromaticContact CG-CD2 3.72Å; Y363-F380 HydrophobicContact CG-CD2 3.72Å; Y363-F380 HydrophobicContact CG-CE2 4.04Å; Y363-K381 WeakPolarHBondContact CA-O 3.34Å; Y363-L382 HydrophobicContact CD1-CD2 3.89Å; Y363-L382 HydrophobicContact CE1-CD2 3.82Å; Y363-K383 WeakPolarHBondContact O-CE 3.43Å; Y363-Y390 WeakPolarHBondContact CE1-OH 3.47Å; Y363-Y390 PolarHBondContact OH-OH 2.93Å; Y363-L392 HydrophobicContact CE1-CD2 4.42Å; Y363-Y441 PolarHBondContact OH-OH 3.45Å; Y363-Y441 VanDerWaalsContact OH-OH 3.09Å
364E98.7Very high98.7Very high86 Ų8646.2 Ų46.240%0.40224%0.24SC..EExtended strand (participates in β ladder)trans-116.2118.4168.3-175.5-168.2159.800107.9F380 K381 K383E364-F380 VanDerWaalsContact O-CA 3.28Å; E364-F380 WeakPolarHBondContact O-CA 3.47Å; E364-F380 WeakPolarHBondContact O-CB 3.49Å; E364-K381 HydrophobicContact CB-CG 3.98Å; E364-K381 PolarHBondContact N-O 3.37Å; E364-K381 PolarHBondContact O-N 3.43Å; E364-K381 IonicContact OE2-NZ 3.58Å; E364-K381 PolarHBondContact OE2-NZ 3.1Å; E364-K383 HydrophobicContact CB-CG 4Å
365F98.8Very high98.7Very high53 Ų5346 Ų4623%0.23224%0.238CC..EExtended strand (participates in β ladder)trans-85.6134.5-176.7-71.4-100.4000110.9A354 I357 A358 T368 V378 F380A354-F365 HydrophobicContact CB-CE1 4.24Å; A354-F365 WeakPolarHBondContact O-CZ 3.48Å; I357-F365 HydrophobicContact CB-CZ 4.34Å; I357-F365 HydrophobicContact CG2-CZ 4.14Å; A358-F365 HydrophobicContact CB-CE2 3.57Å; A358-F365 HydrophobicContact CB-CZ 3.85Å; F365-T368 HydrophobicContact CB-CG2 3.67Å; F365-T368 HydrophobicContact CD1-CG2 4.13Å; F365-T368 HydrophobicContact CG-CG2 4.06Å; F365-V378 HydrophobicContact CD1-CG1 3.9Å; F365-V378 HydrophobicContact CE1-CG1 3.53Å; F365-F380 HydrophobicContact CD1-CB 3.92Å; F365-F380 HydrophobicContact CE1-CB 4.16Å; F365-F380 HydrophobicContact CE1-CD1 4.18Å; F365-F380 HydrophobicContact CE1-CG 4.4Å; F365-F380 HydrophobicContact CG-CB 4.14Å
366I98.7Very high98.7Very high29 Ų2940.8 Ų40.815%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-96.4-35.1170.9-63.1164.7000109.7L187 F188 T214 N216 C379 V420L187-I366 HydrophobicContact CD1-CD1 3.91Å; L187-I366 HydrophobicContact CD1-CG1 4.05Å; L187-I366 HydrophobicContact CD1-CG2 3.74Å; F188-I366 HydrophobicContact CZ-CG2 4.37Å; T214-I366 HydrophobicContact CG2-CG2 3.78Å; N216-I366 PolarHBondContact ND2-O 2.98Å; N216-I366 PolarHBondContact OD1-O 2.93Å; I366-C379 HydrophobicContact CB-CB 4.49Å; I366-C379 PolarHBondContact N-O 3.06Å; I366-V420 HydrophobicContact CD1-CG1 3.59Å
367C98.8Very high98.7Very high1 Ų138.4 Ų38.41%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-140.6133.1177.5-172.70000109.6T214 N216 A377 C379T214-C367 WeakPolarHBondContact O-CB 3.45Å; N216-C367 WeakPolarHBondContact OD1-CB 3.45Å; N216-C367 PolarHBondContact OD1-SG 3.27Å; C367-A377 PolarHBondContact SG-O 2.93Å; C367-C379 HydrophobicContact CB-CB 3.84Å; C367-C379 PolarHBondContact N-O 3.08Å; C367-C379 PolarHBondContact O-N 3.28Å
368T98.8Very high98.7Very high42 Ų4238.4 Ų38.426%0.25820%0.199SC..EExtended strand (participates in β ladder)trans-11713.9-174.359.10000113.6F365 R370F365-T368 HydrophobicContact CB-CG2 3.67Å; F365-T368 HydrophobicContact CD1-CG2 4.13Å; F365-T368 HydrophobicContact CG-CG2 4.06Å; T368-R370 WeakPolarHBondContact OG1-CD 3.27Å; T368-R370 WeakPolarHBondContact OG1-CG 3.28Å
369G98.7Very high98.7Very high0 Ų036 Ų360%018%0.179CC..  trans70.436.4176.100000113.8Y347 A377Y347-G369 WeakPolarHBondContact CD1-O 3.37Å; G369-A377 VanDerWaalsContact CA-O 3.23Å; G369-A377 WeakPolarHBondContact CA-O 3.15Å; G369-A377 PolarHBondContact N-O 3.33Å
370R98.8Very high98.8Very high112 Ų11229.5 Ų29.542%0.42315%0.151SC..  trans-97.4132.8179.8-66.9177.854.374.713.4111.7T368 D372 E373 G374T368-R370 WeakPolarHBondContact OG1-CD 3.27Å; T368-R370 WeakPolarHBondContact OG1-CG 3.28Å; R370-D372 WeakPolarHBondContact CB-OD1 3.28Å; R370-D372 IonicContact CZ-OD1 3.97Å; R370-D372 IonicContact NE-OD1 3.65Å; R370-D372 PolarHBondContact NE-OD1 2.73Å; R370-D372 IonicContact NH2-OD1 2.81Å; R370-D372 PolarHBondContact NH2-OD1 3.42Å; R370-D372 IonicContact NH2-OD2 2.75Å; R370-D372 PolarHBondContact NH2-OD2 2.99Å; R370-D372 VanDerWaalsContact NH2-OD2 3.1Å; R370-D372 PolarHBondContact O-N 2.98Å; R370-E373 HydrophobicContact CB-CB 4.26Å; R370-E373 HydrophobicContact CB-CG 4.22Å; R370-E373 VanDerWaalsContact CD-OE1 3.28Å; R370-E373 WeakPolarHBondContact CD-OE1 3.46Å; R370-E373 IonicContact NE-OE1 3.77Å; R370-E373 PolarHBondContact NE-OE1 3.06Å; R370-E373 VanDerWaalsContact NE-OE1 3.09Å; R370-E373 PolarHBondContact O-N 2.79Å; R370-E373 VanDerWaalsContact O-N 3.09Å; R370-G374 PolarHBondContact O-N 2.81Å
371P98.8Very high98.8Very high37 Ų3727.8 Ų27.824%0.2414%0.142CC..THydrogen-bonded Turntrans-55.7-31.2-178.6-29.335.8000115.7V254 A255 Y347V254-P371 HydrophobicContact CB-CB 4.13Å; V254-P371 HydrophobicContact CG2-CB 3.88Å; A255-P371 WeakPolarHBondContact CB-O 3.42Å; Y347-P371 HydrophobicContact CD1-CB 4.43Å; Y347-P371 HydrophobicContact CD1-CG 3.82Å; Y347-P371 HydrophobicContact CD2-CG 4.2Å; Y347-P371 HydrophobicContact CE1-CB 4.31Å; Y347-P371 HydrophobicContact CE1-CG 4.2Å; Y347-P371 HydrophobicContact CG-CG 3.82Å
372D98.7Very high98.8Very high75 Ų7528.3 Ų28.340%0.40114%0.139SC..THydrogen-bonded Turntrans-83.6-9.6-178.153.6-30.4000113.9F219 R370F219-D372 VanDerWaalsContact CZ-O 3.31Å; F219-D372 WeakPolarHBondContact CZ-O 3.45Å; R370-D372 WeakPolarHBondContact CB-OD1 3.28Å; R370-D372 IonicContact CZ-OD1 3.97Å; R370-D372 IonicContact NE-OD1 3.65Å; R370-D372 PolarHBondContact NE-OD1 2.73Å; R370-D372 IonicContact NH2-OD1 2.81Å; R370-D372 PolarHBondContact NH2-OD1 3.42Å; R370-D372 IonicContact NH2-OD2 2.75Å; R370-D372 PolarHBondContact NH2-OD2 2.99Å; R370-D372 VanDerWaalsContact NH2-OD2 3.1Å; R370-D372 PolarHBondContact O-N 2.98Å
373E98.8Very high98.8Very high72 Ų7232 Ų3234%0.33615%0.152SC..THydrogen-bonded Turntrans-116.1-26.3-174.4-66.7174.6-163.800113.5N216 Y217 R370N216-E373 WeakPolarHBondContact CA-O 3.42Å; Y217-E373 PolarHBondContact N-O 3.34Å; R370-E373 HydrophobicContact CB-CB 4.26Å; R370-E373 HydrophobicContact CB-CG 4.22Å; R370-E373 VanDerWaalsContact CD-OE1 3.28Å; R370-E373 WeakPolarHBondContact CD-OE1 3.46Å; R370-E373 IonicContact NE-OE1 3.77Å; R370-E373 PolarHBondContact NE-OE1 3.06Å; R370-E373 VanDerWaalsContact NE-OE1 3.09Å; R370-E373 PolarHBondContact O-N 2.79Å; R370-E373 VanDerWaalsContact O-N 3.09Å
374G98.8Very high98.7Very high0 Ų037.5 Ų37.50%018%0.182CC..BIsolated β-bridgetrans177.3-157.2-172.800000114.6G215 Y217 Y347 R370G215-G374 CarbonylContact O-C 3.47Å; G215-G374 VanDerWaalsContact O-CA 3.27Å; G215-G374 WeakPolarHBondContact O-CA 3.43Å; Y217-G374 PolarHBondContact OH-O 3.23Å; Y347-G374 VanDerWaalsContact CE1-O 3.31Å; Y347-G374 WeakPolarHBondContact CE1-O 3.44Å; Y347-G374 PolarHBondContact OH-O 3.45Å; R370-G374 PolarHBondContact O-N 2.81Å
375I98.9Very high98.7Very high0 Ų037.5 Ų37.50%021%0.206CC..SBendtrans-85.1167.4178.276.9-173.4000110.8F63 G215 Y217 L250 A377 M424F63-I375 HydrophobicContact CD1-CD1 4.21Å; F63-I375 HydrophobicContact CE1-CD1 3.49Å; F63-I375 VanDerWaalsContact CE1-CD1 3.49Å; F63-I375 HydrophobicContact CZ-CD1 4.41Å; G215-I375 WeakPolarHBondContact O-CG1 3.22Å; G215-I375 PolarHBondContact O-N 3.47Å; Y217-I375 HydrophobicContact CE1-CG2 3.9Å; L250-I375 HydrophobicContact CD1-CB 3.68Å; L250-I375 HydrophobicContact CD1-CG2 3.59Å; I375-A377 HydrophobicContact CD1-CB 4.27Å; I375-A377 HydrophobicContact CG1-CB 3.82Å; I375-A377 PolarHBondContact O-N 3.12Å; I375-M424 HydrophobicContact CD1-CE 3.86Å; I375-M424 HydrophobicContact CD1-SD 3.82Å; I375-M424 HydrophobicContact CG1-SD 4.37Å
376P98.9Very high98.6Very high0 Ų040.3 Ų40.30%022%0.219CC..SBendtrans-73.575.5176.229.2-33.4000111.1L250 F277 Y347 A350 C425L250-P376 HydrophobicContact CD2-CG 4.39Å; F277-P376 HydrophobicContact CD1-CG 4.31Å; F277-P376 HydrophobicContact CE1-CG 3.45Å; F277-P376 VanDerWaalsContact CE1-CG 3.45Å; F277-P376 HydrophobicContact CZ-CG 3.77Å; Y347-P376 HydrophobicContact CD1-CB 3.84Å; Y347-P376 HydrophobicContact CD2-CB 4.48Å; Y347-P376 HydrophobicContact CE1-CB 4.11Å; Y347-P376 HydrophobicContact CE1-CG 4.48Å; Y347-P376 HydrophobicContact CE2-CG 4.49Å; Y347-P376 HydrophobicContact CG-CB 4.05Å; A350-P376 HydrophobicContact CB-CB 3.98Å; P376-C425 HydrophobicContact CB-CB 4.35Å; P376-C425 WeakPolarHBondContact O-CB 2.94Å; P376-C425 PolarHBondContact O-N 3.39Å
377A98.9Very high98.6Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-136.2153.9176.800000110.5C367 G369 I375 I423 M424C367-A377 PolarHBondContact SG-O 2.93Å; G369-A377 VanDerWaalsContact CA-O 3.23Å; G369-A377 WeakPolarHBondContact CA-O 3.15Å; G369-A377 PolarHBondContact N-O 3.33Å; I375-A377 HydrophobicContact CD1-CB 4.27Å; I375-A377 HydrophobicContact CG1-CB 3.82Å; I375-A377 PolarHBondContact O-N 3.12Å; A377-I423 CarbonylContact C-O 3.36Å; A377-I423 WeakPolarHBondContact CA-O 3.39Å; A377-I423 WeakPolarHBondContact CB-O 3.48Å; A377-M424 HydrophobicContact CB-CE 3.8Å; A377-M424 HydrophobicContact CB-SD 4.02Å
378V98.9Very high98.6Very high0 Ų046 Ų460%025%0.253CS..EExtended strand (participates in β ladder)trans-115.5121.3172.1-173.90000107.4A350 L353 A354 F365 F380 R422 I423A350-V378 HydrophobicContact CB-CG2 4.45Å; A350-V378 WeakPolarHBondContact O-CG2 3.49Å; L353-V378 HydrophobicContact CB-CG2 4.02Å; A354-V378 HydrophobicContact CB-CG1 4.13Å; A354-V378 HydrophobicContact CB-CG2 4.15Å; F365-V378 HydrophobicContact CD1-CG1 3.9Å; F365-V378 HydrophobicContact CE1-CG1 3.53Å; V378-F380 HydrophobicContact CG1-CD1 4.14Å; V378-R422 CarbonylContact O-C 3.2Å; V378-R422 VanDerWaalsContact O-CA 3.32Å; V378-R422 WeakPolarHBondContact O-CA 3.38Å; V378-I423 HydrophobicContact CB-CB 4.37Å; V378-I423 PolarHBondContact N-O 3.36Å; V378-I423 PolarHBondContact O-N 2.99Å
379C98.9Very high98.5Very high0 Ų045.3 Ų45.30%025%0.253CS..EExtended strand (participates in β ladder)trans-129.7126.7178.8-171.90000110.1T214 I366 C367 M421 R422T214-C379 VanDerWaalsContact O-CB 3.22Å; T214-C379 WeakPolarHBondContact O-CB 3.47Å; I366-C379 HydrophobicContact CB-CB 4.49Å; I366-C379 PolarHBondContact N-O 3.06Å; C367-C379 HydrophobicContact CB-CB 3.84Å; C367-C379 PolarHBondContact N-O 3.08Å; C367-C379 PolarHBondContact O-N 3.28Å; C379-M421 WeakPolarHBondContact CA-O 3.14Å; C379-R422 HydrophobicContact CB-CG 4.39Å
380F98.9Very high98.5Very high0 Ų046 Ų460%026%0.256CS..EExtended strand (participates in β ladder)trans-147.3158.7-177.561-84.6000111.9I357 Y363 E364 F365 V378 L392 V420 M421 Y441I357-F380 HydrophobicContact CD1-CE1 4.44Å; I357-F380 HydrophobicContact CG2-CE1 4.07Å; I357-F380 HydrophobicContact CG2-CE2 4.45Å; I357-F380 HydrophobicContact CG2-CZ 4.02Å; Y363-F380 AromaticContact CD1-CD2 3.65Å; Y363-F380 HydrophobicContact CD1-CD2 3.65Å; Y363-F380 AromaticContact CD1-CE2 3.77Å; Y363-F380 HydrophobicContact CD1-CE2 3.77Å; Y363-F380 HydrophobicContact CD2-CD2 4.37Å; Y363-F380 HydrophobicContact CD2-CE2 4.39Å; Y363-F380 HydrophobicContact CE1-CD2 4.28Å; Y363-F380 AromaticContact CE1-CE2 3.92Å; Y363-F380 HydrophobicContact CE1-CE2 3.92Å; Y363-F380 HydrophobicContact CE2-CE2 4.48Å; Y363-F380 AromaticContact CG-CD2 3.72Å; Y363-F380 HydrophobicContact CG-CD2 3.72Å; Y363-F380 HydrophobicContact CG-CE2 4.04Å; E364-F380 VanDerWaalsContact O-CA 3.28Å; E364-F380 WeakPolarHBondContact O-CA 3.47Å; E364-F380 WeakPolarHBondContact O-CB 3.49Å; F365-F380 HydrophobicContact CD1-CB 3.92Å; F365-F380 HydrophobicContact CE1-CB 4.16Å; F365-F380 HydrophobicContact CE1-CD1 4.18Å; F365-F380 HydrophobicContact CE1-CG 4.4Å; F365-F380 HydrophobicContact CG-CB 4.14Å; V378-F380 HydrophobicContact CG1-CD1 4.14Å; F380-L392 HydrophobicContact CD2-CD2 4.45Å; F380-L392 HydrophobicContact CE2-CD2 3.81Å; F380-V420 CarbonylContact O-C 3.55Å; F380-V420 VanDerWaalsContact O-CA 3.31Å; F380-V420 WeakPolarHBondContact O-CA 3.5Å; F380-M421 HydrophobicContact CE1-CB 4.05Å; F380-M421 HydrophobicContact CE1-CG 4.05Å; F380-M421 HydrophobicContact CE1-SD 4.23Å; F380-M421 HydrophobicContact CE2-CB 4.03Å; F380-M421 HydrophobicContact CE2-SD 4.31Å; F380-M421 HydrophobicContact CZ-CB 3.74Å; F380-M421 HydrophobicContact CZ-CG 3.81Å; F380-M421 HydrophobicContact CZ-SD 3.53Å; F380-M421 VanDerWaalsContact CZ-SD 3.53Å; F380-M421 PolarHBondContact N-O 3.2Å; F380-M421 VanDerWaalsContact N-O 3.09Å; F380-M421 PolarHBondContact O-N 2.8Å; F380-Y441 HydrophobicContact CZ-CE2 4.45Å; F380-Y441 WeakPolarHBondContact CZ-OH 3.08Å
381K98.8Very high98.5Very high13 Ų1342.3 Ų42.36%0.05725%0.246CC..EExtended strand (participates in β ladder)trans-119.7167.2169.559.6179.9-77.2-70.50109.5Y363 E364 D384 I418 V419 V420Y363-K381 WeakPolarHBondContact CA-O 3.34Å; E364-K381 HydrophobicContact CB-CG 3.98Å; E364-K381 PolarHBondContact N-O 3.37Å; E364-K381 PolarHBondContact O-N 3.43Å; E364-K381 IonicContact OE2-NZ 3.58Å; E364-K381 PolarHBondContact OE2-NZ 3.1Å; K381-D384 WeakPolarHBondContact CE-OD1 3.44Å; K381-D384 IonicContact NZ-OD1 3.72Å; K381-D384 PolarHBondContact NZ-OD1 3.29Å; K381-D384 IonicContact NZ-OD2 3.01Å; K381-I418 HydrophobicContact CB-CG2 4.22Å; K381-I418 HydrophobicContact CD-CG2 3.78Å; K381-V419 WeakPolarHBondContact CB-O 3.44Å; K381-V420 HydrophobicContact CB-CG1 4.41Å
382L98.7Very high98.5Very high35 Ų3540.7 Ų40.718%0.18324%0.236CC..EExtended strand (participates in β ladder)trans-67.9143.2161.3-68.5171.7000109.3P362 Y363 P388 L392P362-L382 HydrophobicContact CG-CD2 4.49Å; Y363-L382 HydrophobicContact CD1-CD2 3.89Å; Y363-L382 HydrophobicContact CE1-CD2 3.82Å; L382-P388 HydrophobicContact CD1-CG 4.27Å; L382-P388 HydrophobicContact CD2-CG 3.69Å; L382-L392 HydrophobicContact CG-CD2 4.37Å; L382-L392 HydrophobicContact CG-CG 4.26Å
383K98.6Very high98.5Very high105 Ų10537.7 Ų37.746%0.45722%0.219SC..PPolyproline II helixtrans-60.1145.9173.2-77.2175.5-178.7179.20110.7P362 Y363 E364 G385 E386P362-K383 HydrophobicContact CB-CD 4.4Å; P362-K383 WeakPolarHBondContact O-CB 3.27Å; P362-K383 WeakPolarHBondContact O-CG 3.38Å; P362-K383 PolarHBondContact O-N 3.39Å; Y363-K383 WeakPolarHBondContact O-CE 3.43Å; E364-K383 HydrophobicContact CB-CG 4Å; K383-G385 PolarHBondContact O-N 3.32Å; K383-E386 HydrophobicContact CB-CB 4.1Å; K383-E386 HydrophobicContact CB-CG 3.79Å; K383-E386 PolarHBondContact O-N 3.45Å
384D97.4Very high98.5Very high127 Ų12734.6 Ų34.668%0.67920%0.204SC*.THydrogen-bonded Turntrans-64131.7-179.9-63.7-26.7000110.9K381 E386K381-D384 WeakPolarHBondContact CE-OD1 3.44Å; K381-D384 IonicContact NZ-OD1 3.72Å; K381-D384 PolarHBondContact NZ-OD1 3.29Å; K381-D384 IonicContact NZ-OD2 3.01Å; D384-E386 PolarHBondContact O-N 2.86Å
385G97.2Very high98.5Very high87 Ų8734.6 Ų34.690%0.89720%0.204SC*.THydrogen-bonded Turntrans79.7-7-178.600000115.4K383K383-G385 PolarHBondContact O-N 3.32Å
386E98Very high98.5Very high111 Ų11134.9 Ų34.952%0.51921%0.206SC..  trans-89.7129.3175.6-68.9-70.913800110.8P362 K383 D384P362-E386 HydrophobicContact CB-CB 3.99Å; P362-E386 HydrophobicContact CB-CG 4.03Å; P362-E386 HydrophobicContact CG-CB 4.08Å; K383-E386 HydrophobicContact CB-CB 4.1Å; K383-E386 HydrophobicContact CB-CG 3.79Å; K383-E386 PolarHBondContact O-N 3.45Å; D384-E386 PolarHBondContact O-N 2.86Å
387D98.1Very high98.5Very high105 Ų10539.1 Ų39.156%0.56123%0.226SC*.  trans-122.1100172.2-18012.4000110G389 Q455D387-G389 PolarHBondContact O-N 3.47Å; D387-G389 PolarHBondContact OD1-N 3.48Å; D387-Q455 PolarHBondContact OD1-NE2 2.7Å; D387-Q455 PolarHBondContact OD2-NE2 2.74Å
388P98.3Very high98.5Very high46 Ų4640.5 Ų40.530%0.29923%0.231SC..  trans-79.29.3179.135.4-37.7000113.5P362 L382 Y390P362-P388 HydrophobicContact CG-CB 3.96Å; P362-P388 HydrophobicContact CG-CG 4.2Å; L382-P388 HydrophobicContact CD1-CG 4.27Å; L382-P388 HydrophobicContact CD2-CG 3.69Å; P388-Y390 HydrophobicContact CB-CD1 4.09Å; P388-Y390 HydrophobicContact CB-CE1 3.55Å; P388-Y390 HydrophobicContact CG-CD1 3.95Å; P388-Y390 HydrophobicContact CG-CD2 4.42Å; P388-Y390 HydrophobicContact CG-CE1 3.57Å; P388-Y390 HydrophobicContact CG-CE2 4.07Å; P388-Y390 HydrophobicContact CG-CG 4.34Å
389G98.2Very high98.5Very high26 Ų2640.5 Ų40.527%0.26823%0.231SC..SBendtrans84.616.5-178.500000114.2D387D387-G389 PolarHBondContact O-N 3.47Å; D387-G389 PolarHBondContact OD1-N 3.48Å
390Y98.7Very high98.4Very high14 Ų1445.7 Ų45.76%0.05525%0.251CS..SBendtrans-156.4156.2173.663.2-92.1000110.4Y363 P388 L395 L445 L448Y363-Y390 WeakPolarHBondContact CE1-OH 3.47Å; Y363-Y390 PolarHBondContact OH-OH 2.93Å; P388-Y390 HydrophobicContact CB-CD1 4.09Å; P388-Y390 HydrophobicContact CB-CE1 3.55Å; P388-Y390 HydrophobicContact CG-CD1 3.95Å; P388-Y390 HydrophobicContact CG-CD2 4.42Å; P388-Y390 HydrophobicContact CG-CE1 3.57Å; P388-Y390 HydrophobicContact CG-CE2 4.07Å; P388-Y390 HydrophobicContact CG-CG 4.34Å; Y390-L395 HydrophobicContact CD2-CB 4.21Å; Y390-L395 HydrophobicContact CE2-CB 4.45Å; Y390-L395 HydrophobicContact CE2-CD2 4.3Å; Y390-L445 HydrophobicContact CD1-CD2 4.36Å; Y390-L445 HydrophobicContact CE1-CD2 3.62Å; Y390-L445 HydrophobicContact CE2-CD2 4.1Å; Y390-L445 VanDerWaalsContact CZ-CD2 3.49Å; Y390-L448 HydrophobicContact CD1-CD1 4.49Å; Y390-L448 HydrophobicContact CD2-CD1 4.45Å; Y390-L448 HydrophobicContact CG-CD1 4.03Å
391T98.6Very high98.4Very high36 Ų3651 Ų5122%0.22128%0.279CS..  trans-96.7162.9166.472.20000110.9Y393 D394 L395T391-Y393 PolarHBondContact O-N 3.48Å; T391-Y393 PolarHBondContact OG1-N 3.12Å; T391-D394 WeakPolarHBondContact CB-OD2 3.25Å; T391-D394 PolarHBondContact N-OD2 3Å; T391-D394 PolarHBondContact O-N 3.49Å; T391-D394 VanDerWaalsContact O-N 3.12Å; T391-D394 PolarHBondContact OG1-N 3.15Å; T391-D394 PolarHBondContact OG1-OD2 3.39Å; T391-L395 PolarHBondContact O-N 2.95Å; T391-L395 VanDerWaalsContact O-N 3.15Å
392L98.8Very high98.4Very high3 Ų354 Ų542%0.01629%0.29CS..Hα-helixtrans-63.2-23.9174.8-64.8179.8000112.9Y363 F380 L382 S396 A408 V419 M421Y363-L392 HydrophobicContact CE1-CD2 4.42Å; F380-L392 HydrophobicContact CD2-CD2 4.45Å; F380-L392 HydrophobicContact CE2-CD2 3.81Å; L382-L392 HydrophobicContact CG-CD2 4.37Å; L382-L392 HydrophobicContact CG-CG 4.26Å; L392-S396 VanDerWaalsContact O-CB 3.29Å; L392-S396 WeakPolarHBondContact O-CB 3.5Å; L392-S396 PolarHBondContact O-N 3.43Å; L392-A408 HydrophobicContact CB-CB 4.07Å; L392-A408 WeakPolarHBondContact O-CB 3.36Å; L392-V419 HydrophobicContact CB-CG1 4.17Å; L392-M421 HydrophobicContact CB-CB 4.5Å; L392-M421 HydrophobicContact CB-CE 4.34Å; L392-M421 HydrophobicContact CD1-CB 3.99Å; L392-M421 HydrophobicContact CD2-CB 4.37Å; L392-M421 HydrophobicContact CD2-CE 4.45Å; L392-M421 WeakPolarHBondContact O-CE 3.22Å
393Y98.8Very high98.3Very high12 Ų1254.4 Ų54.45%0.04730%0.302CS..Hα-helixtrans-67.8-45.5171.6-67.5-61.3000111.9T391 L395 S396 E397 A408 T410 V419 A458 N461T391-Y393 PolarHBondContact O-N 3.48Å; T391-Y393 PolarHBondContact OG1-N 3.12Å; Y393-L395 VanDerWaalsContact C-N 3.31Å; Y393-L395 PolarHBondContact O-N 3Å; Y393-S396 WeakPolarHBondContact O-CB 3.45Å; Y393-S396 PolarHBondContact O-N 2.94Å; Y393-E397 PolarHBondContact O-N 3.23Å; Y393-A408 HydrophobicContact CD1-CB 3.72Å; Y393-A408 HydrophobicContact CE1-CB 3.99Å; Y393-A408 WeakPolarHBondContact CE1-O 3.48Å; Y393-A408 HydrophobicContact CG-CB 4.41Å; Y393-T410 PolarHBondContact OH-N 3.4Å; Y393-V419 HydrophobicContact CD2-CG1 4.26Å; Y393-V419 HydrophobicContact CE1-CG1 4.46Å; Y393-V419 HydrophobicContact CE2-CB 4.49Å; Y393-V419 HydrophobicContact CE2-CG1 3.75Å; Y393-V419 HydrophobicContact CE2-CG2 3.83Å; Y393-A458 WeakPolarHBondContact CB-O 3.36Å; Y393-N461 PolarHBondContact OH-OD1 3.35Å
394D98.7Very high98.3Very high6 Ų649.4 Ų49.43%0.03228%0.28CS..Hα-helixtrans-60.5-45179.2-54.1-47.6000110.1T391 E397 R398 L448 G456 I457 A458T391-D394 WeakPolarHBondContact CB-OD2 3.25Å; T391-D394 PolarHBondContact N-OD2 3Å; T391-D394 PolarHBondContact O-N 3.49Å; T391-D394 VanDerWaalsContact O-N 3.12Å; T391-D394 PolarHBondContact OG1-N 3.15Å; T391-D394 PolarHBondContact OG1-OD2 3.39Å; D394-E397 PolarHBondContact O-N 2.92Å; D394-R398 WeakPolarHBondContact O-CG 3.33Å; D394-R398 PolarHBondContact O-N 3.42Å; D394-L448 HydrophobicContact CB-CD2 4.01Å; D394-G456 PolarHBondContact OD1-N 3.35Å; D394-G456 PolarHBondContact OD2-N 3.13Å; D394-I457 PolarHBondContact OD1-N 3.08Å; D394-A458 WeakPolarHBondContact OD1-CB 3.48Å; D394-A458 PolarHBondContact OD1-N 2.93Å; D394-A458 VanDerWaalsContact OD1-N 3.12Å
395L98.8Very high98.3Very high0 Ų045.2 Ų45.20%026%0.257CS..Hα-helixtrans-61.7-45.3175.1176.962000112.5Y390 T391 Y393 E397 R398 L399 M421 Y441 L445 L448Y390-L395 HydrophobicContact CD2-CB 4.21Å; Y390-L395 HydrophobicContact CE2-CB 4.45Å; Y390-L395 HydrophobicContact CE2-CD2 4.3Å; T391-L395 PolarHBondContact O-N 2.95Å; T391-L395 VanDerWaalsContact O-N 3.15Å; Y393-L395 VanDerWaalsContact C-N 3.31Å; Y393-L395 PolarHBondContact O-N 3Å; L395-E397 VanDerWaalsContact C-N 3.26Å; L395-E397 PolarHBondContact O-N 3.34Å; L395-R398 PolarHBondContact O-N 3.2Å; L395-R398 VanDerWaalsContact O-N 3.13Å; L395-L399 HydrophobicContact CD1-CD1 4.39Å; L395-L399 HydrophobicContact CD1-CG 4.37Å; L395-L399 HydrophobicContact CG-CD1 4.2Å; L395-L399 WeakPolarHBondContact O-CG 3.37Å; L395-L399 PolarHBondContact O-N 2.99Å; L395-M421 HydrophobicContact CB-CE 4.28Å; L395-M421 HydrophobicContact CD2-CE 3.94Å; L395-M421 HydrophobicContact CD2-SD 4.23Å; L395-M421 HydrophobicContact CG-CE 4.05Å; L395-Y441 HydrophobicContact CD1-CE1 4.37Å; L395-Y441 HydrophobicContact CD2-CE1 3.76Å; L395-Y441 HydrophobicContact CD2-CE2 3.98Å; L395-Y441 VanDerWaalsContact CD2-CZ 3.42Å; L395-Y441 VanDerWaalsContact CD2-OH 3.27Å; L395-Y441 WeakPolarHBondContact CD2-OH 3.49Å; L395-L445 HydrophobicContact CD1-CD2 4.05Å; L395-L445 HydrophobicContact CD2-CD2 4.4Å; L395-L448 HydrophobicContact CB-CD1 4.25Å; L395-L448 HydrophobicContact CD1-CD1 4.32Å
396S98.7Very high98.4Very high6 Ų641.1 Ų41.14%0.04222%0.215CC..Hα-helixtrans-56.5-40.5175.3150.20000111.7L392 Y393 L399 R400 V406L392-S396 VanDerWaalsContact O-CB 3.29Å; L392-S396 WeakPolarHBondContact O-CB 3.5Å; L392-S396 PolarHBondContact O-N 3.43Å; Y393-S396 WeakPolarHBondContact O-CB 3.45Å; Y393-S396 PolarHBondContact O-N 2.94Å; S396-L399 PolarHBondContact O-N 3.34Å; S396-R400 WeakPolarHBondContact O-CB 3.46Å; S396-R400 PolarHBondContact O-N 3.19Å; S396-V406 WeakPolarHBondContact CB-O 3.36Å; S396-V406 PolarHBondContact OG-O 3.07Å
397E98.4Very high98.4Very high89 Ų8935.9 Ų35.942%0.41619%0.19SC..Hα-helixtrans-65.2-42.8175.3-172.1-179.210100112.2Y393 D394 L395 L399 R400 L401Y393-E397 PolarHBondContact O-N 3.23Å; D394-E397 PolarHBondContact O-N 2.92Å; L395-E397 VanDerWaalsContact C-N 3.26Å; L395-E397 PolarHBondContact O-N 3.34Å; E397-L399 VanDerWaalsContact C-N 3.31Å; E397-L399 PolarHBondContact O-N 3.16Å; E397-R400 WeakPolarHBondContact O-CB 3.29Å; E397-R400 PolarHBondContact O-N 3.04Å; E397-R400 VanDerWaalsContact O-N 3.16Å; E397-L401 PolarHBondContact O-N 2.82Å; E397-L401 VanDerWaalsContact O-N 3.12Å
398R98.6Very high98.5Very high29 Ų2930.9 Ų30.911%0.10916%0.163CC..Hα-helixtrans-62.9-37.2177.7-63.5-44-58.5173.5-1.2113.1D394 L395 L401 Y447 L448D394-R398 WeakPolarHBondContact O-CG 3.33Å; D394-R398 PolarHBondContact O-N 3.42Å; L395-R398 PolarHBondContact O-N 3.2Å; L395-R398 VanDerWaalsContact O-N 3.13Å; R398-L401 PolarHBondContact O-N 2.7Å; R398-Y447 VanDerWaalsContact NH2-CD1 3.31Å; R398-Y447 VanDerWaalsContact NH2-CE1 3.25Å; R398-L448 HydrophobicContact CG-CD1 3.98Å; R398-L448 HydrophobicContact CG-CD2 3.9Å; R398-L448 HydrophobicContact CG-CG 3.82Å
399L98.6Very high98.5Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-66.6-39.4174.1-73.5171.9000111.6L395 S396 E397 L401 R402 G403 W404 V406 L437 Y441L395-L399 HydrophobicContact CD1-CD1 4.39Å; L395-L399 HydrophobicContact CD1-CG 4.37Å; L395-L399 HydrophobicContact CG-CD1 4.2Å; L395-L399 WeakPolarHBondContact O-CG 3.37Å; L395-L399 PolarHBondContact O-N 2.99Å; S396-L399 PolarHBondContact O-N 3.34Å; E397-L399 VanDerWaalsContact C-N 3.31Å; E397-L399 PolarHBondContact O-N 3.16Å; L399-L401 VanDerWaalsContact C-N 3.3Å; L399-L401 PolarHBondContact O-N 3.49Å; L399-R402 CarbonylContact O-C 3.55Å; L399-R402 WeakPolarHBondContact O-CA 3.42Å; L399-R402 WeakPolarHBondContact O-CB 3.22Å; L399-R402 PolarHBondContact O-N 3.47Å; L399-G403 PolarHBondContact O-N 3.14Å; L399-W404 CarbonylContact C-O 3.23Å; L399-W404 HydrophobicContact CB-CB 4.16Å; L399-W404 PolarHBondContact O-N 2.94Å; L399-V406 HydrophobicContact CD1-CB 3.95Å; L399-V406 HydrophobicContact CD1-CG1 4.4Å; L399-V406 HydrophobicContact CD1-CG2 3.98Å; L399-L437 HydrophobicContact CD2-CD1 4.37Å; L399-Y441 HydrophobicContact CD1-CD2 4.25Å
400R98Very high98.5Very high110 Ų11029 Ų2942%0.41515%0.146SC..Hα-helixtrans-61.7-36.9176.1-171.2-174.6-57.1-77.2-10.7113S396 E397 R402 G403 W404 Q405S396-R400 WeakPolarHBondContact O-CB 3.46Å; S396-R400 PolarHBondContact O-N 3.19Å; E397-R400 WeakPolarHBondContact O-CB 3.29Å; E397-R400 PolarHBondContact O-N 3.04Å; E397-R400 VanDerWaalsContact O-N 3.16Å; R400-R402 PolarHBondContact O-N 3.36Å; R400-R402 VanDerWaalsContact O-N 3.14Å; R400-G403 PolarHBondContact O-N 2.93Å; R400-W404 WeakPolarHBondContact CA-O 3.1Å; R400-W404 PolarHBondContact N-O 3.4Å; R400-Q405 VanDerWaalsContact NH2-CD 3.34Å; R400-Q405 VanDerWaalsContact NH2-NE2 3.19Å
401L98Very high98.5Very high112 Ų11228.5 Ų28.559%0.58614%0.144SC*.THydrogen-bonded Turntrans-65.7-10.5173.8-66.7172.4000113.5E397 R398 L399E397-L401 PolarHBondContact O-N 2.82Å; E397-L401 VanDerWaalsContact O-N 3.12Å; R398-L401 PolarHBondContact O-N 2.7Å; L399-L401 VanDerWaalsContact C-N 3.3Å; L399-L401 PolarHBondContact O-N 3.49Å
402R98.1Very high98.3Very high75 Ų7528 Ų2828%0.28315%0.146SC..THydrogen-bonded Turntrans-10611.3172.1-70.5156.1160.471.66.8112.9Q58 L399 R400 D440Q58-R402 PolarHBondContact NE2-O 2.7Å; L399-R402 CarbonylContact O-C 3.55Å; L399-R402 WeakPolarHBondContact O-CA 3.42Å; L399-R402 WeakPolarHBondContact O-CB 3.22Å; L399-R402 PolarHBondContact O-N 3.47Å; R400-R402 PolarHBondContact O-N 3.36Å; R400-R402 VanDerWaalsContact O-N 3.14Å; R402-D440 HydrophobicContact CB-CB 4.38Å; R402-D440 WeakPolarHBondContact CD-OD1 3.47Å; R402-D440 IonicContact NE-OD1 3.56Å; R402-D440 PolarHBondContact NE-OD1 2.96Å
403G97.4Very high98.2Very high43 Ų4330.2 Ų30.244%0.44317%0.17SC..THydrogen-bonded Turntrans90.3-9.4179.500000114.8Q58 L399 R400Q58-G403 WeakPolarHBondContact CB-O 3.44Å; L399-G403 PolarHBondContact O-N 3.14Å; R400-G403 PolarHBondContact O-N 2.93Å
404W98.6Very high98.2Very high0 Ų035.1 Ų35.10%019%0.193CC..  trans-85.1123.5-176.9-60.6104.3000112.6Q58 L60 L399 R400 V406 F429 F433 L436 L437 D440Q58-W404 HydrophobicContact CB-CD2 4.15Å; Q58-W404 HydrophobicContact CB-CE3 3.58Å; Q58-W404 HydrophobicContact CB-CZ3 3.87Å; Q58-W404 HydrophobicContact CG-CD2 4.25Å; Q58-W404 HydrophobicContact CG-CE3 3.85Å; Q58-W404 HydrophobicContact CG-CH2 4.06Å; Q58-W404 HydrophobicContact CG-CZ2 4.42Å; Q58-W404 HydrophobicContact CG-CZ3 3.75Å; L60-W404 HydrophobicContact CD1-CE3 3.97Å; L60-W404 HydrophobicContact CD1-CZ3 4.18Å; L60-W404 HydrophobicContact CG-CE3 4.27Å; L60-W404 HydrophobicContact CG-CZ3 4.49Å; L399-W404 CarbonylContact C-O 3.23Å; L399-W404 HydrophobicContact CB-CB 4.16Å; L399-W404 PolarHBondContact O-N 2.94Å; R400-W404 WeakPolarHBondContact CA-O 3.1Å; R400-W404 PolarHBondContact N-O 3.4Å; W404-V406 HydrophobicContact CB-CG2 4.18Å; W404-V406 PolarHBondContact O-N 3.37Å; W404-F429 HydrophobicContact CH2-CE2 4.1Å; W404-F429 HydrophobicContact CZ3-CD2 4.49Å; W404-F429 AromaticContact CZ3-CE2 3.86Å; W404-F429 HydrophobicContact CZ3-CE2 3.86Å; W404-F433 HydrophobicContact CH2-CB 4.41Å; W404-F433 HydrophobicContact CH2-CD1 4.15Å; W404-L436 HydrophobicContact CZ2-CB 4.32Å; W404-L436 HydrophobicContact CZ2-CD2 4.08Å; W404-L436 HydrophobicContact CZ2-CG 4.02Å; W404-L437 HydrophobicContact CB-CD1 4.38Å; W404-L437 HydrophobicContact CD2-CD1 3.79Å; W404-L437 HydrophobicContact CE3-CD1 4.15Å; W404-L437 HydrophobicContact CG-CD1 3.9Å; W404-L437 HydrophobicContact CH2-CB 4.29Å; W404-L437 HydrophobicContact CZ2-CB 4.12Å; W404-D440 PolarHBondContact NE1-OD2 3.12Å
405Q98.4Very high98.2Very high40 Ų4034.9 Ų34.919%0.18719%0.192CC..BIsolated β-bridgetrans-93.695.9166.516761.482.100108.9Q58 N59 L60 A61 R400Q58-Q405 PolarHBondContact O-N 3.41Å; N59-Q405 HydrophobicContact CB-CB 4.39Å; L60-Q405 PolarHBondContact N-O 2.91Å; A61-Q405 HydrophobicContact CB-CG 4.04Å; A61-Q405 PolarHBondContact N-O 2.83Å; R400-Q405 VanDerWaalsContact NH2-CD 3.34Å; R400-Q405 VanDerWaalsContact NH2-NE2 3.19Å
406V98.7Very high98.1Very high1 Ų138.4 Ų38.41%0.00621%0.214CC..  trans-113.2104.9174.4-1770000108.9L60 S396 L399 W404 A408 M421 I423 L437L60-V406 HydrophobicContact CB-CG2 4.44Å; L60-V406 HydrophobicContact CD1-CG2 4.13Å; S396-V406 WeakPolarHBondContact CB-O 3.36Å; S396-V406 PolarHBondContact OG-O 3.07Å; L399-V406 HydrophobicContact CD1-CB 3.95Å; L399-V406 HydrophobicContact CD1-CG1 4.4Å; L399-V406 HydrophobicContact CD1-CG2 3.98Å; W404-V406 HydrophobicContact CB-CG2 4.18Å; W404-V406 PolarHBondContact O-N 3.37Å; V406-A408 PolarHBondContact O-N 3.26Å; V406-M421 HydrophobicContact CG1-CE 4.33Å; V406-M421 HydrophobicContact CG1-CG 3.63Å; V406-M421 HydrophobicContact CG1-SD 3.62Å; V406-I423 HydrophobicContact CG1-CD1 4.33Å; V406-I423 HydrophobicContact CG1-CG1 3.6Å; V406-L437 HydrophobicContact CG2-CD1 4.23Å
407P98.6Very high98Very high0 Ų045.4 Ų45.40%025%0.251CS..  trans-72.4129.2-169.131-38000112.1A61 F409 M421 R422A61-P407 HydrophobicContact CB-CB 4.06Å; A61-P407 HydrophobicContact CB-CG 3.6Å; P407-F409 HydrophobicContact CB-CD1 4.07Å; P407-F409 HydrophobicContact CB-CE1 4.17Å; P407-F409 HydrophobicContact CG-CE1 4.31Å; P407-M421 WeakPolarHBondContact O-CA 3.36Å; P407-R422 WeakPolarHBondContact CD-O 3.37Å; P407-R422 VanDerWaalsContact CG-O 3.28Å; P407-R422 WeakPolarHBondContact CG-O 3.49Å; P407-R422 PolarHBondContact O-N 3.43Å; P407-R422 VanDerWaalsContact O-N 3.1Å
408A98.7Very high98Very high0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-104.9140.1158.900000109.9L392 Y393 V406 V420 M421 S462L392-A408 HydrophobicContact CB-CB 4.07Å; L392-A408 WeakPolarHBondContact O-CB 3.36Å; Y393-A408 HydrophobicContact CD1-CB 3.72Å; Y393-A408 HydrophobicContact CE1-CB 3.99Å; Y393-A408 WeakPolarHBondContact CE1-O 3.48Å; Y393-A408 HydrophobicContact CG-CB 4.41Å; V406-A408 PolarHBondContact O-N 3.26Å; A408-V420 CarbonylContact C-O 3.56Å; A408-V420 WeakPolarHBondContact CA-O 3.45Å; A408-M421 HydrophobicContact CB-CE 4.48Å; A408-S462 PolarHBondContact O-N 3.21Å; A408-S462 VanDerWaalsContact O-N 3.12Å
409F98.7Very high98Very high0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-163.1162.9179.353.4-94.2000113.1Y213 P407 L411 V419 V420 R422 N461 K464Y213-F409 HydrophobicContact CD1-CE2 4.47Å; Y213-F409 WeakPolarHBondContact O-CZ 3.34Å; P407-F409 HydrophobicContact CB-CD1 4.07Å; P407-F409 HydrophobicContact CB-CE1 4.17Å; P407-F409 HydrophobicContact CG-CE1 4.31Å; F409-L411 HydrophobicContact CE2-CD2 4.31Å; F409-V419 WeakPolarHBondContact O-CA 3.48Å; F409-V420 HydrophobicContact CD2-CG2 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.48Å; F409-V420 HydrophobicContact CE2-CG2 3.41Å; F409-V420 VanDerWaalsContact CE2-CG2 3.41Å; F409-V420 HydrophobicContact CG-CG2 4.44Å; F409-V420 HydrophobicContact CZ-CG2 3.82Å; F409-V420 PolarHBondContact N-O 3.13Å; F409-V420 WeakPolarHBondContact O-CG2 3.29Å; F409-V420 PolarHBondContact O-N 3.45Å; F409-R422 HydrophobicContact CE1-CB 4.12Å; F409-R422 HydrophobicContact CZ-CB 4.17Å; F409-N461 WeakPolarHBondContact CA-OD1 3.15Å; F409-N461 WeakPolarHBondContact CB-OD1 3.32Å; F409-K464 HydrophobicContact CB-CD 3.92Å; F409-K464 HydrophobicContact CD1-CB 3.76Å; F409-K464 HydrophobicContact CD1-CD 4.36Å; F409-K464 HydrophobicContact CD2-CB 4.19Å; F409-K464 HydrophobicContact CD2-CD 3.47Å; F409-K464 VanDerWaalsContact CD2-CD 3.47Å; F409-K464 HydrophobicContact CD2-CG 4.48Å; F409-K464 HydrophobicContact CE1-CB 3.87Å; F409-K464 HydrophobicContact CE2-CB 4.28Å; F409-K464 HydrophobicContact CE2-CD 4.04Å; F409-K464 HydrophobicContact CG-CB 3.93Å; F409-K464 HydrophobicContact CG-CD 3.65Å; F409-K464 HydrophobicContact CG-CG 4.43Å; F409-K464 HydrophobicContact CZ-CB 4.13Å
410T98.4Very high98Very high34 Ų3442.9 Ų42.921%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-79.9146.517154.90000113.4Y393 T416 I418 V419 N461 K464Y393-T410 PolarHBondContact OH-N 3.4Å; T410-T416 WeakPolarHBondContact CB-O 3.48Å; T410-T416 VanDerWaalsContact CG2-O 3.24Å; T410-T416 WeakPolarHBondContact CG2-O 3.24Å; T410-I418 WeakPolarHBondContact CA-O 3.27Å; T410-V419 HydrophobicContact CG2-CG2 3.97Å; T410-N461 PolarHBondContact N-OD1 3.36Å; T410-K464 PolarHBondContact O-NZ 3.05Å
411L98.2Very high98.1Very high3 Ų337.7 Ų37.72%0.01622%0.224CC..  trans-73.1179166.4-58.6-177.1000111.2M182 L187 T214 F409 A415 T416 I418 V420M182-L411 HydrophobicContact CE-CB 4.31Å; M182-L411 HydrophobicContact SD-CB 4.26Å; M182-L411 HydrophobicContact SD-CD1 4.46Å; M182-L411 HydrophobicContact SD-CD2 4.46Å; L187-L411 HydrophobicContact CD1-CD1 4.28Å; L187-L411 HydrophobicContact CD2-CD1 3.93Å; T214-L411 HydrophobicContact CG2-CD2 4.5Å; F409-L411 HydrophobicContact CE2-CD2 4.31Å; L411-A415 HydrophobicContact CB-CB 4.08Å; L411-A415 HydrophobicContact CD1-CB 4.49Å; L411-T416 WeakPolarHBondContact O-CA 3.42Å; L411-I418 HydrophobicContact CD1-CB 4.22Å; L411-I418 HydrophobicContact CD1-CG2 4.06Å; L411-I418 HydrophobicContact CG-CB 4.46Å; L411-I418 HydrophobicContact CG-CG2 4.48Å; L411-I418 PolarHBondContact N-O 2.76Å; L411-V420 HydrophobicContact CD1-CG1 4.03Å; L411-V420 HydrophobicContact CD2-CG1 4.07Å; L411-V420 HydrophobicContact CD2-CG2 3.8Å; L411-V420 HydrophobicContact CG-CG1 3.95Å; L411-V420 HydrophobicContact CG-CG2 4.37Å
412G95.7Very high98.1Very high25 Ų2532.4 Ų32.426%0.25820%0.196SC..  trans-108.8-171.9-179.700000113M182 A415M182-G412 VanDerWaalsContact CE-N 3.29Å; G412-A415 WeakPolarHBondContact O-CB 3.15Å; G412-A415 PolarHBondContact O-N 3.12Å; G412-A415 VanDerWaalsContact O-N 3.11Å
413G97Very high98.2Very high50 Ų5028.9 Ų28.952%0.51518%0.183SC..G310 helixtrans65.3-132.817700000113.4A415 T416G413-A415 PolarHBondContact O-N 3.31Å; G413-T416 WeakPolarHBondContact O-CG2 3.33Å
414E98.5Very high98.2Very high115 Ų11526.8 Ų26.854%0.53716%0.161SC..G310 helixtrans-85.37.4173.9-59.4166.5-15800111.9P181 M182 R183P181-E414 HydrophobicContact CB-CG 4.43Å; M182-E414 CarbonylContact O-C 3.49Å; M182-E414 WeakPolarHBondContact O-CA 3.31Å; M182-E414 PolarHBondContact O-N 3.24Å; R183-E414 HydrophobicContact CB-CB 3.82Å; R183-E414 WeakPolarHBondContact CB-OE2 3.42Å; R183-E414 WeakPolarHBondContact CD-OE2 3.39Å
415A98.2Very high98.3Very high1 Ų126.8 Ų26.81%0.00816%0.161CC..G310 helixtrans-11221.7179.700000112.9M182 L187 L411 G412 G413 D417 I418M182-A415 HydrophobicContact CB-CB 4.06Å; M182-A415 PolarHBondContact O-N 3.37Å; L187-A415 HydrophobicContact CD2-CB 4.35Å; L411-A415 HydrophobicContact CB-CB 4.08Å; L411-A415 HydrophobicContact CD1-CB 4.49Å; G412-A415 WeakPolarHBondContact O-CB 3.15Å; G412-A415 PolarHBondContact O-N 3.12Å; G412-A415 VanDerWaalsContact O-N 3.11Å; G413-A415 PolarHBondContact O-N 3.31Å; A415-D417 PolarHBondContact O-N 3.5Å; A415-D417 VanDerWaalsContact O-N 3.13Å; A415-I418 HydrophobicContact CB-CD1 3.88Å; A415-I418 HydrophobicContact CB-CG1 4.15Å; A415-I418 WeakPolarHBondContact O-CB 3.37Å; A415-I418 PolarHBondContact O-N 2.85Å
416T97.4Very high98.3Very high74 Ų7425.2 Ų25.245%0.45415%0.154SC..THydrogen-bonded Turntrans-61.2-21.2-179.750.70000114.1T410 L411 G413 I418T410-T416 WeakPolarHBondContact CB-O 3.48Å; T410-T416 VanDerWaalsContact CG2-O 3.24Å; T410-T416 WeakPolarHBondContact CG2-O 3.24Å; L411-T416 WeakPolarHBondContact O-CA 3.42Å; G413-T416 WeakPolarHBondContact O-CG2 3.33Å; T416-I418 VanDerWaalsContact C-N 3.33Å
417D96.7Very high98.3Very high153 Ų15326.4 Ų26.482%0.81816%0.158SC*.THydrogen-bonded Turntrans-83.6-11.8177.7-60.2-15000112.3A415 V419A415-D417 PolarHBondContact O-N 3.5Å; A415-D417 VanDerWaalsContact O-N 3.13Å; D417-V419 PolarHBondContact O-N 2.69Å
418I98.5Very high98.3Very high22 Ų2227.1 Ų27.111%0.11317%0.166CC..  trans-84.4108.2177.5-53.7-174.1000109.3P184 K381 T410 L411 A415 T416 V420P184-I418 HydrophobicContact CB-CD1 4.44Å; P184-I418 HydrophobicContact CG-CD1 4.15Å; K381-I418 HydrophobicContact CB-CG2 4.22Å; K381-I418 HydrophobicContact CD-CG2 3.78Å; T410-I418 WeakPolarHBondContact CA-O 3.27Å; L411-I418 HydrophobicContact CD1-CB 4.22Å; L411-I418 HydrophobicContact CD1-CG2 4.06Å; L411-I418 HydrophobicContact CG-CB 4.46Å; L411-I418 HydrophobicContact CG-CG2 4.48Å; L411-I418 PolarHBondContact N-O 2.76Å; A415-I418 HydrophobicContact CB-CD1 3.88Å; A415-I418 HydrophobicContact CB-CG1 4.15Å; A415-I418 WeakPolarHBondContact O-CB 3.37Å; A415-I418 PolarHBondContact O-N 2.85Å; T416-I418 VanDerWaalsContact C-N 3.33Å; I418-V420 HydrophobicContact CG2-CG1 3.97Å
419V98.6Very high98.3Very high43 Ų4327.6 Ų27.626%0.26117%0.168SC..EExtended strand (participates in β ladder)trans-85.3127.9167.2-176.20000109.3K381 L392 Y393 F409 T410 D417K381-V419 WeakPolarHBondContact CB-O 3.44Å; L392-V419 HydrophobicContact CB-CG1 4.17Å; Y393-V419 HydrophobicContact CD2-CG1 4.26Å; Y393-V419 HydrophobicContact CE1-CG1 4.46Å; Y393-V419 HydrophobicContact CE2-CB 4.49Å; Y393-V419 HydrophobicContact CE2-CG1 3.75Å; Y393-V419 HydrophobicContact CE2-CG2 3.83Å; F409-V419 WeakPolarHBondContact O-CA 3.48Å; T410-V419 HydrophobicContact CG2-CG2 3.97Å; D417-V419 PolarHBondContact O-N 2.69Å
420V98.8Very high98.3Very high0 Ų031.2 Ų31.20%019%0.185CC..EExtended strand (participates in β ladder)trans-118.1157.7176-60.70000111I366 F380 K381 A408 F409 L411 I418I366-V420 HydrophobicContact CD1-CG1 3.59Å; F380-V420 CarbonylContact O-C 3.55Å; F380-V420 VanDerWaalsContact O-CA 3.31Å; F380-V420 WeakPolarHBondContact O-CA 3.5Å; K381-V420 HydrophobicContact CB-CG1 4.41Å; A408-V420 CarbonylContact C-O 3.56Å; A408-V420 WeakPolarHBondContact CA-O 3.45Å; F409-V420 HydrophobicContact CD2-CG2 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.48Å; F409-V420 HydrophobicContact CE2-CG2 3.41Å; F409-V420 VanDerWaalsContact CE2-CG2 3.41Å; F409-V420 HydrophobicContact CG-CG2 4.44Å; F409-V420 HydrophobicContact CZ-CG2 3.82Å; F409-V420 PolarHBondContact N-O 3.13Å; F409-V420 WeakPolarHBondContact O-CG2 3.29Å; F409-V420 PolarHBondContact O-N 3.45Å; L411-V420 HydrophobicContact CD1-CG1 4.03Å; L411-V420 HydrophobicContact CD2-CG1 4.07Å; L411-V420 HydrophobicContact CD2-CG2 3.8Å; L411-V420 HydrophobicContact CG-CG1 3.95Å; L411-V420 HydrophobicContact CG-CG2 4.37Å; I418-V420 HydrophobicContact CG2-CG1 3.97Å
421M98.9Very high98.3Very high0 Ų033 Ų330%019%0.192CC..EExtended strand (participates in β ladder)trans-114.6134.1164.2179.6170-73.900108.5C379 F380 L392 L395 V406 P407 A408 Y441C379-M421 WeakPolarHBondContact CA-O 3.14Å; F380-M421 HydrophobicContact CE1-CB 4.05Å; F380-M421 HydrophobicContact CE1-CG 4.05Å; F380-M421 HydrophobicContact CE1-SD 4.23Å; F380-M421 HydrophobicContact CE2-CB 4.03Å; F380-M421 HydrophobicContact CE2-SD 4.31Å; F380-M421 HydrophobicContact CZ-CB 3.74Å; F380-M421 HydrophobicContact CZ-CG 3.81Å; F380-M421 HydrophobicContact CZ-SD 3.53Å; F380-M421 VanDerWaalsContact CZ-SD 3.53Å; F380-M421 PolarHBondContact N-O 3.2Å; F380-M421 VanDerWaalsContact N-O 3.09Å; F380-M421 PolarHBondContact O-N 2.8Å; L392-M421 HydrophobicContact CB-CB 4.5Å; L392-M421 HydrophobicContact CB-CE 4.34Å; L392-M421 HydrophobicContact CD1-CB 3.99Å; L392-M421 HydrophobicContact CD2-CB 4.37Å; L392-M421 HydrophobicContact CD2-CE 4.45Å; L392-M421 WeakPolarHBondContact O-CE 3.22Å; L395-M421 HydrophobicContact CB-CE 4.28Å; L395-M421 HydrophobicContact CD2-CE 3.94Å; L395-M421 HydrophobicContact CD2-SD 4.23Å; L395-M421 HydrophobicContact CG-CE 4.05Å; V406-M421 HydrophobicContact CG1-CE 4.33Å; V406-M421 HydrophobicContact CG1-CG 3.63Å; V406-M421 HydrophobicContact CG1-SD 3.62Å; P407-M421 WeakPolarHBondContact O-CA 3.36Å; A408-M421 HydrophobicContact CB-CE 4.48Å; M421-Y441 HydrophobicContact SD-CE2 4.4Å
422R98.8Very high98.3Very high1 Ų137.4 Ų37.40%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-124.2130179-169.3-168.872.8-146.3-5.3110.8A61 F63 T212 V378 C379 P407 F409 K464A61-R422 PolarHBondContact O-NH2 2.98Å; F63-R422 VanDerWaalsContact CE2-CZ 3.44Å; F63-R422 VanDerWaalsContact CE2-NH2 3.3Å; T212-R422 PolarHBondContact O-NH1 2.87Å; V378-R422 CarbonylContact O-C 3.2Å; V378-R422 VanDerWaalsContact O-CA 3.32Å; V378-R422 WeakPolarHBondContact O-CA 3.38Å; C379-R422 HydrophobicContact CB-CG 4.39Å; P407-R422 WeakPolarHBondContact CD-O 3.37Å; P407-R422 VanDerWaalsContact CG-O 3.28Å; P407-R422 WeakPolarHBondContact CG-O 3.49Å; P407-R422 PolarHBondContact O-N 3.43Å; P407-R422 VanDerWaalsContact O-N 3.1Å; F409-R422 HydrophobicContact CE1-CB 4.12Å; F409-R422 HydrophobicContact CZ-CB 4.17Å; R422-K464 PolarHBondContact NH1-O 3.11Å
423I98.9Very high98.4Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-113.6123.7173.1-61.1165.8000108.2L60 L353 I357 A377 V378 V406 L437L60-I423 HydrophobicContact CB-CG2 4.06Å; L60-I423 HydrophobicContact CD1-CG2 3.83Å; L60-I423 HydrophobicContact CG-CG2 4.47Å; L353-I423 HydrophobicContact CD1-CG2 4.01Å; I357-I423 HydrophobicContact CD1-CD1 3.51Å; A377-I423 CarbonylContact C-O 3.36Å; A377-I423 WeakPolarHBondContact CA-O 3.39Å; A377-I423 WeakPolarHBondContact CB-O 3.48Å; V378-I423 HydrophobicContact CB-CB 4.37Å; V378-I423 PolarHBondContact N-O 3.36Å; V378-I423 PolarHBondContact O-N 2.99Å; V406-I423 HydrophobicContact CG1-CD1 4.33Å; V406-I423 HydrophobicContact CG1-CG1 3.6Å; I423-L437 HydrophobicContact CD1-CD2 4.39Å; I423-L437 HydrophobicContact CG2-CD2 4.49Å
424M98.9Very high98.5Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-98.5123176.7-164.460.547.900110.8L60 T62 F63 F277 I375 A377 R426L60-M424 WeakPolarHBondContact O-CB 3.3Å; L60-M424 PolarHBondContact O-N 3.49Å; T62-M424 WeakPolarHBondContact O-CG 3.45Å; F63-M424 HydrophobicContact CD1-CE 3.79Å; F63-M424 HydrophobicContact CD1-SD 3.87Å; F63-M424 HydrophobicContact CD2-CE 4.31Å; F63-M424 HydrophobicContact CE1-CE 3.28Å; F63-M424 HydrophobicContact CE1-SD 3.89Å; F63-M424 HydrophobicContact CE2-CE 3.87Å; F63-M424 HydrophobicContact CG-CE 4.28Å; F63-M424 HydrophobicContact CG-SD 4.45Å; F63-M424 HydrophobicContact CZ-CE 3.31Å; F63-M424 HydrophobicContact CZ-SD 4.46Å; F277-M424 HydrophobicContact CE2-SD 4.31Å; F277-M424 HydrophobicContact CZ-SD 3.96Å; I375-M424 HydrophobicContact CD1-CE 3.86Å; I375-M424 HydrophobicContact CD1-SD 3.82Å; I375-M424 HydrophobicContact CG1-SD 4.37Å; A377-M424 HydrophobicContact CB-CE 3.8Å; A377-M424 HydrophobicContact CB-SD 4.02Å; M424-R426 HydrophobicContact CG-CG 3.81Å
425C98.9Very high98.5Very high0 Ų037.1 Ų37.10%019%0.193CC..  trans-100.6102.1177.8-55.40000109.1V349 A350 P376 F429V349-C425 HydrophobicContact CG1-CB 4.4Å; A350-C425 HydrophobicContact CB-CB 4.18Å; P376-C425 HydrophobicContact CB-CB 4.35Å; P376-C425 WeakPolarHBondContact O-CB 2.94Å; P376-C425 PolarHBondContact O-N 3.39Å; C425-F429 HydrophobicContact CB-CD1 4.2Å
426R98.7Very high98.6Very high7 Ų741.3 Ų41.33%0.02621%0.214CC..  trans-105169.8-179.3-54.2-170.4-58.7-67.8-7.7110.6N59 T62 F63 C64 T66 M424 G428 F429N59-R426 PolarHBondContact O-NH1 2.7Å; N59-R426 PolarHBondContact O-NH2 3.48Å; T62-R426 VanDerWaalsContact CG2-CZ 3.47Å; T62-R426 VanDerWaalsContact O-CD 3.3Å; T62-R426 WeakPolarHBondContact O-CD 3.34Å; T62-R426 PolarHBondContact O-NH1 3.28Å; F63-R426 WeakPolarHBondContact O-CD 3.01Å; C64-R426 WeakPolarHBondContact O-CD 3.36Å; C64-R426 PolarHBondContact O-NE 2.97Å; T66-R426 PolarHBondContact OG1-NH2 3.01Å; M424-R426 HydrophobicContact CG-CG 3.81Å; R426-G428 PolarHBondContact O-N 3.35Å; R426-F429 WeakPolarHBondContact O-CB 3.23Å; R426-F429 PolarHBondContact O-N 2.98Å
427R98.8Very high98.6Very high25 Ų2537.8 Ų37.89%0.09419%0.193CC..THydrogen-bonded Turntrans-52132.1167.7-178.8179.8179.2179.1-1.1110.1W67 D69 L279 E330W67-R427 HydrophobicContact CB-CG 4.34Å; W67-R427 HydrophobicContact CG-CG 4.46Å; D69-R427 IonicContact OD2-NH2 3.68Å; L279-R427 HydrophobicContact CD2-CB 4.43Å; E330-R427 IonicContact OE1-NH1 2.7Å; E330-R427 PolarHBondContact OE1-NH1 3.23Å; E330-R427 IonicContact OE2-NH1 3.65Å; E330-R427 PolarHBondContact OE2-NH1 2.88Å
428G98.2Very high98.7Very high16 Ų1630.7 Ų30.717%0.16516%0.155CC..THydrogen-bonded Turntrans92-7.3-177.200000114.6R426 E430R426-G428 PolarHBondContact O-N 3.35Å; G428-E430 WeakPolarHBondContact CA-OE1 3.3Å; G428-E430 PolarHBondContact N-OE1 2.78Å
429F98.8Very high98.8Very high9 Ų935 Ų354%0.03918%0.175CC..  trans-101.182.3167.8-177.2-110.3000108.6L60 V349 L353 W404 C425 R426 F433 A434 L437L60-F429 HydrophobicContact CD1-CE2 4.05Å; L60-F429 HydrophobicContact CD1-CZ 3.92Å; L60-F429 HydrophobicContact CD2-CD1 4.29Å; L60-F429 HydrophobicContact CD2-CD2 3.69Å; L60-F429 HydrophobicContact CD2-CE1 4.36Å; L60-F429 HydrophobicContact CD2-CE2 3.79Å; L60-F429 HydrophobicContact CD2-CG 3.96Å; L60-F429 HydrophobicContact CD2-CZ 4.12Å; V349-F429 HydrophobicContact CG1-CD1 3.68Å; V349-F429 HydrophobicContact CG1-CE1 3.56Å; L353-F429 HydrophobicContact CD1-CE1 3.71Å; L353-F429 HydrophobicContact CD1-CZ 4.09Å; W404-F429 HydrophobicContact CH2-CE2 4.1Å; W404-F429 HydrophobicContact CZ3-CD2 4.49Å; W404-F429 AromaticContact CZ3-CE2 3.86Å; W404-F429 HydrophobicContact CZ3-CE2 3.86Å; C425-F429 HydrophobicContact CB-CD1 4.2Å; R426-F429 WeakPolarHBondContact O-CB 3.23Å; R426-F429 PolarHBondContact O-N 2.98Å; F429-F433 HydrophobicContact CD2-CB 3.61Å; F429-F433 HydrophobicContact CD2-CG 4.49Å; F429-F433 HydrophobicContact CE2-CB 3.62Å; F429-A434 HydrophobicContact CE1-CB 4.11Å; F429-A434 HydrophobicContact CZ-CB 3.98Å; F429-L437 HydrophobicContact CZ-CB 4.5Å; F429-L437 HydrophobicContact CZ-CD2 3.98Å
430E98.8Very high98.8Very high77 Ų7734.5 Ų34.536%0.3617%0.17SC..  trans-87.2176.5-174.5-46.8-54.2144.800111.3G428 D432 F433 A434G428-E430 WeakPolarHBondContact CA-OE1 3.3Å; G428-E430 PolarHBondContact N-OE1 2.78Å; E430-D432 VanDerWaalsContact C-N 3.29Å; E430-D432 WeakPolarHBondContact CB-OD1 3.4Å; E430-D432 PolarHBondContact O-N 3.39Å; E430-F433 PolarHBondContact O-N 3.26Å; E430-F433 VanDerWaalsContact O-N 3.14Å; E430-A434 PolarHBondContact O-N 2.92Å; E430-A434 VanDerWaalsContact O-N 3.15Å
431M98.8Very high98.8Very high72 Ų7234.5 Ų34.536%0.35517%0.17SC..Hα-helixtrans-58.8-36.2-172.2-167.361.870.200113.8V349 Y352 A434 E435V349-M431 HydrophobicContact CG2-CE 4.05Å; V349-M431 HydrophobicContact CG2-SD 4.48Å; Y352-M431 HydrophobicContact CD1-CE 4.47Å; Y352-M431 HydrophobicContact CD1-SD 3.33Å; Y352-M431 WeakPolarHBondContact CD1-SD 3.43Å; Y352-M431 HydrophobicContact CD2-SD 4.31Å; Y352-M431 HydrophobicContact CE1-SD 3.79Å; Y352-M431 HydrophobicContact CG-CE 4.27Å; Y352-M431 HydrophobicContact CG-SD 3.61Å; M431-A434 WeakPolarHBondContact O-CB 3.22Å; M431-A434 PolarHBondContact O-N 2.95Å; M431-E435 WeakPolarHBondContact O-CG 3.44Å; M431-E435 PolarHBondContact O-N 2.73Å
432D98.5Very high98.8Very high95 Ų9538.6 Ų38.651%0.50819%0.188SC..Hα-helixtrans-64.7-39.7177.561.3-37.2000112.5E430 A434 E435 L436E430-D432 VanDerWaalsContact C-N 3.29Å; E430-D432 WeakPolarHBondContact CB-OD1 3.4Å; E430-D432 PolarHBondContact O-N 3.39Å; D432-A434 VanDerWaalsContact C-N 3.3Å; D432-A434 PolarHBondContact O-N 2.93Å; D432-E435 PolarHBondContact O-N 3.45Å; D432-L436 PolarHBondContact O-N 3.16Å
433F98.7Very high98.8Very high75 Ų7540.3 Ų40.333%0.32920%0.203SC..Hα-helixtrans-67.2-33.5172.8-78.6-101.9000111.7W404 F429 E430 L436 L437W404-F433 HydrophobicContact CH2-CB 4.41Å; W404-F433 HydrophobicContact CH2-CD1 4.15Å; F429-F433 HydrophobicContact CD2-CB 3.61Å; F429-F433 HydrophobicContact CD2-CG 4.49Å; F429-F433 HydrophobicContact CE2-CB 3.62Å; E430-F433 PolarHBondContact O-N 3.26Å; E430-F433 VanDerWaalsContact O-N 3.14Å; F433-L436 PolarHBondContact O-N 3.4Å; F433-L437 WeakPolarHBondContact O-CB 3.48Å; F433-L437 PolarHBondContact O-N 2.83Å
434A98.8Very high98.8Very high0 Ų040.2 Ų40.20%020%0.202CC..Hα-helixtrans-68.1-38.617400000112.4V349 Y352 L353 F429 E430 M431 D432 L437 L438V349-A434 HydrophobicContact CG1-CB 3.72Å; Y352-A434 HydrophobicContact CD1-CB 4.17Å; Y352-A434 HydrophobicContact CE1-CB 4.28Å; L353-A434 HydrophobicContact CD1-CB 4.33Å; L353-A434 HydrophobicContact CD2-CB 4.01Å; L353-A434 HydrophobicContact CG-CB 4.09Å; F429-A434 HydrophobicContact CE1-CB 4.11Å; F429-A434 HydrophobicContact CZ-CB 3.98Å; E430-A434 PolarHBondContact O-N 2.92Å; E430-A434 VanDerWaalsContact O-N 3.15Å; M431-A434 WeakPolarHBondContact O-CB 3.22Å; M431-A434 PolarHBondContact O-N 2.95Å; D432-A434 VanDerWaalsContact C-N 3.3Å; D432-A434 PolarHBondContact O-N 2.93Å; A434-L437 WeakPolarHBondContact O-CB 3.38Å; A434-L437 PolarHBondContact O-N 2.87Å; A434-L438 WeakPolarHBondContact O-CG 3.45Å; A434-L438 PolarHBondContact O-N 2.69Å
435E98.8Very high98.8Very high108 Ų10841.4 Ų41.451%0.50521%0.209SC..Hα-helixtrans-61.4-45.3171.8-71.3-17615000111.8Y352 M431 D432 L437 L438 E439Y352-E435 HydrophobicContact CE1-CG 4.33Å; M431-E435 WeakPolarHBondContact O-CG 3.44Å; M431-E435 PolarHBondContact O-N 2.73Å; D432-E435 PolarHBondContact O-N 3.45Å; E435-L437 PolarHBondContact O-N 3.28Å; E435-L438 PolarHBondContact O-N 3.41Å; E435-E439 PolarHBondContact O-N 3.28Å; E435-E439 VanDerWaalsContact O-N 3.1Å
436L98.7Very high98.8Very high89 Ų8947.5 Ų47.547%0.46624%0.235SC..Hα-helixtrans-62.1-42.5176.1-17861.5000111.9W404 D432 F433 L438 E439 D440W404-L436 HydrophobicContact CZ2-CB 4.32Å; W404-L436 HydrophobicContact CZ2-CD2 4.08Å; W404-L436 HydrophobicContact CZ2-CG 4.02Å; D432-L436 PolarHBondContact O-N 3.16Å; F433-L436 PolarHBondContact O-N 3.4Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 PolarHBondContact O-N 3.42Å; L436-E439 PolarHBondContact O-N 3.01Å; L436-D440 PolarHBondContact O-N 3.26Å
437L98.9Very high98.8Very high1 Ų151.1 Ų51.11%0.00525%0.249CC..Hα-helixtrans-56.4-44.3174.5174.366.9000111.2L60 L353 L399 W404 V406 I423 F429 F433 A434 E435 D440 Y441L60-L437 HydrophobicContact CD1-CD1 4.16Å; L60-L437 HydrophobicContact CD1-CD2 3.56Å; L60-L437 HydrophobicContact CD1-CG 4.44Å; L353-L437 HydrophobicContact CD1-CD2 3.99Å; L353-L437 HydrophobicContact CD2-CD2 4.07Å; L399-L437 HydrophobicContact CD2-CD1 4.37Å; W404-L437 HydrophobicContact CB-CD1 4.38Å; W404-L437 HydrophobicContact CD2-CD1 3.79Å; W404-L437 HydrophobicContact CE3-CD1 4.15Å; W404-L437 HydrophobicContact CG-CD1 3.9Å; W404-L437 HydrophobicContact CH2-CB 4.29Å; W404-L437 HydrophobicContact CZ2-CB 4.12Å; V406-L437 HydrophobicContact CG2-CD1 4.23Å; I423-L437 HydrophobicContact CD1-CD2 4.39Å; I423-L437 HydrophobicContact CG2-CD2 4.49Å; F429-L437 HydrophobicContact CZ-CB 4.5Å; F429-L437 HydrophobicContact CZ-CD2 3.98Å; F433-L437 WeakPolarHBondContact O-CB 3.48Å; F433-L437 PolarHBondContact O-N 2.83Å; A434-L437 WeakPolarHBondContact O-CB 3.38Å; A434-L437 PolarHBondContact O-N 2.87Å; E435-L437 PolarHBondContact O-N 3.28Å; L437-D440 PolarHBondContact O-N 3.07Å; L437-Y441 VanDerWaalsContact O-CB 3.29Å; L437-Y441 WeakPolarHBondContact O-CB 3.37Å; L437-Y441 PolarHBondContact O-N 2.95Å
438L98.9Very high98.8Very high4 Ų450.1 Ų50.12%0.02125%0.246CC..Hα-helixtrans-65.6-38.9-179.6-73.6169.7000112.4Y352 L353 E356 I357 L360 A434 E435 L436 Y441 K442Y352-L438 HydrophobicContact CD1-CD1 4.38Å; Y352-L438 HydrophobicContact CE1-CD1 3.48Å; Y352-L438 VanDerWaalsContact CE1-CD1 3.48Å; L353-L438 HydrophobicContact CD2-CD1 4.12Å; L353-L438 HydrophobicContact CD2-CD2 3.95Å; L353-L438 HydrophobicContact CD2-CG 3.78Å; E356-L438 HydrophobicContact CB-CD1 3.59Å; E356-L438 HydrophobicContact CB-CD2 3.79Å; E356-L438 HydrophobicContact CB-CG 4.37Å; E356-L438 HydrophobicContact CG-CD1 3.75Å; I357-L438 HydrophobicContact CG1-CD2 3.94Å; L360-L438 HydrophobicContact CD1-CD2 4.41Å; A434-L438 WeakPolarHBondContact O-CG 3.45Å; A434-L438 PolarHBondContact O-N 2.69Å; E435-L438 PolarHBondContact O-N 3.41Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 PolarHBondContact O-N 3.42Å; L438-Y441 WeakPolarHBondContact O-CB 3.47Å; L438-Y441 PolarHBondContact O-N 2.78Å; L438-K442 VanDerWaalsContact O-CG 3.25Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 2.96Å
439E98.8Very high98.8Very high112 Ų11253.7 Ų53.752%0.52327%0.268SS..Hα-helixtrans-61.8-45.6174-71.9-58.511300111.4E435 L436 Y441 K442 A443E435-E439 PolarHBondContact O-N 3.28Å; E435-E439 VanDerWaalsContact O-N 3.1Å; L436-E439 PolarHBondContact O-N 3.01Å; E439-Y441 VanDerWaalsContact C-N 3.31Å; E439-Y441 PolarHBondContact O-N 3.23Å; E439-K442 PolarHBondContact O-N 3.49Å; E439-K442 IonicContact OE1-NZ 3.27Å; E439-K442 PolarHBondContact OE1-NZ 3.36Å; E439-A443 WeakPolarHBondContact O-CB 3.41Å; E439-A443 PolarHBondContact O-N 3.12Å
440D98.9Very high98.8Very high32 Ų3257.5 Ų57.517%0.17129%0.289CS..Hα-helixtrans-65.5-33.6176-86.4-31.9000113.2R402 W404 L436 L437 S444R402-D440 HydrophobicContact CB-CB 4.38Å; R402-D440 WeakPolarHBondContact CD-OD1 3.47Å; R402-D440 IonicContact NE-OD1 3.56Å; R402-D440 PolarHBondContact NE-OD1 2.96Å; W404-D440 PolarHBondContact NE1-OD2 3.12Å; L436-D440 PolarHBondContact O-N 3.26Å; L437-D440 PolarHBondContact O-N 3.07Å; D440-S444 VanDerWaalsContact O-CB 3.27Å; D440-S444 WeakPolarHBondContact O-CB 3.43Å; D440-S444 PolarHBondContact O-N 3.04Å; D440-S444 PolarHBondContact O-OG 3.48Å
441Y98.9Very high98.7Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-64.7-52.5173.6-160.7-64000110.6I357 L360 Y363 F380 L395 L399 M421 L437 L438 E439 A443 S444 L445I357-Y441 HydrophobicContact CD1-CE2 4.21Å; I357-Y441 HydrophobicContact CG1-CE2 4.32Å; I357-Y441 HydrophobicContact CG2-CE2 4.5Å; L360-Y441 HydrophobicContact CD1-CD1 3.91Å; L360-Y441 HydrophobicContact CD1-CE1 4.32Å; L360-Y441 HydrophobicContact CD1-CG 4.49Å; Y363-Y441 PolarHBondContact OH-OH 3.45Å; Y363-Y441 VanDerWaalsContact OH-OH 3.09Å; F380-Y441 HydrophobicContact CZ-CE2 4.45Å; F380-Y441 WeakPolarHBondContact CZ-OH 3.08Å; L395-Y441 HydrophobicContact CD1-CE1 4.37Å; L395-Y441 HydrophobicContact CD2-CE1 3.76Å; L395-Y441 HydrophobicContact CD2-CE2 3.98Å; L395-Y441 VanDerWaalsContact CD2-CZ 3.42Å; L395-Y441 VanDerWaalsContact CD2-OH 3.27Å; L395-Y441 WeakPolarHBondContact CD2-OH 3.49Å; L399-Y441 HydrophobicContact CD1-CD2 4.25Å; M421-Y441 HydrophobicContact SD-CE2 4.4Å; L437-Y441 VanDerWaalsContact O-CB 3.29Å; L437-Y441 WeakPolarHBondContact O-CB 3.37Å; L437-Y441 PolarHBondContact O-N 2.95Å; L438-Y441 WeakPolarHBondContact O-CB 3.47Å; L438-Y441 PolarHBondContact O-N 2.78Å; E439-Y441 VanDerWaalsContact C-N 3.31Å; E439-Y441 PolarHBondContact O-N 3.23Å; Y441-A443 VanDerWaalsContact C-N 3.32Å; Y441-A443 PolarHBondContact O-N 2.71Å; Y441-S444 WeakPolarHBondContact O-CB 3.5Å; Y441-S444 PolarHBondContact O-N 3.48Å; Y441-S444 VanDerWaalsContact O-N 3.08Å; Y441-L445 HydrophobicContact CD1-CD1 3.82Å; Y441-L445 HydrophobicContact CD1-CD2 4.48Å; Y441-L445 HydrophobicContact CD1-CG 3.88Å; Y441-L445 HydrophobicContact CE1-CD1 3.77Å; Y441-L445 HydrophobicContact CE1-CD2 4.07Å; Y441-L445 HydrophobicContact CE1-CG 3.92Å; Y441-L445 WeakPolarHBondContact O-CG 3.47Å; Y441-L445 PolarHBondContact O-N 2.88Å
442K98.9Very high98.7Very high86 Ų8658.3 Ų58.337%0.37430%0.299SS..Hα-helixtrans-58.5-43.8177.1-67165.1-163.2167.20111.3L360 L438 E439 S444 L445 K446L360-K442 HydrophobicContact CD1-CG 4.08Å; L360-K442 HydrophobicContact CD2-CG 4.13Å; L438-K442 VanDerWaalsContact O-CG 3.25Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 2.96Å; E439-K442 PolarHBondContact O-N 3.49Å; E439-K442 IonicContact OE1-NZ 3.27Å; E439-K442 PolarHBondContact OE1-NZ 3.36Å; K442-S444 VanDerWaalsContact C-N 3.29Å; K442-S444 PolarHBondContact O-N 3.21Å; K442-L445 PolarHBondContact O-N 3.37Å; K442-K446 PolarHBondContact O-N 3.04Å
443A98.8Very high98.6Very high37 Ų3763.2 Ų63.231%0.30632%0.316SS..Hα-helixtrans-63.6-35.7176.800000112.3E439 Y441 Y447E439-A443 WeakPolarHBondContact O-CB 3.41Å; E439-A443 PolarHBondContact O-N 3.12Å; Y441-A443 VanDerWaalsContact C-N 3.32Å; Y441-A443 PolarHBondContact O-N 2.71Å; A443-Y447 WeakPolarHBondContact O-CB 3.25Å; A443-Y447 PolarHBondContact O-N 3.22Å
444S98.8Very high98.6Very high0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-67.6-44.9175.6-64.20000112D440 Y441 K442 K446 Y447 L448D440-S444 VanDerWaalsContact O-CB 3.27Å; D440-S444 WeakPolarHBondContact O-CB 3.43Å; D440-S444 PolarHBondContact O-N 3.04Å; D440-S444 PolarHBondContact O-OG 3.48Å; Y441-S444 WeakPolarHBondContact O-CB 3.5Å; Y441-S444 PolarHBondContact O-N 3.48Å; Y441-S444 VanDerWaalsContact O-N 3.08Å; K442-S444 VanDerWaalsContact C-N 3.29Å; K442-S444 PolarHBondContact O-N 3.21Å; S444-K446 PolarHBondContact O-N 3.33Å; S444-Y447 PolarHBondContact O-N 3.21Å; S444-L448 WeakPolarHBondContact O-CG 3.46Å; S444-L448 PolarHBondContact O-N 3.25Å
445L98.8Very high98.6Very high25 Ų2565.7 Ų65.713%0.13133%0.33CS..Hα-helixtrans-59.5-45.6173.8-67.1179.7000111.6L360 Y390 L395 Y441 K442 Y447 L448 S449L360-L445 HydrophobicContact CB-CD1 3.82Å; L360-L445 WeakPolarHBondContact O-CD1 3.32Å; Y390-L445 HydrophobicContact CD1-CD2 4.36Å; Y390-L445 HydrophobicContact CE1-CD2 3.62Å; Y390-L445 HydrophobicContact CE2-CD2 4.1Å; Y390-L445 VanDerWaalsContact CZ-CD2 3.49Å; L395-L445 HydrophobicContact CD1-CD2 4.05Å; L395-L445 HydrophobicContact CD2-CD2 4.4Å; Y441-L445 HydrophobicContact CD1-CD1 3.82Å; Y441-L445 HydrophobicContact CD1-CD2 4.48Å; Y441-L445 HydrophobicContact CD1-CG 3.88Å; Y441-L445 HydrophobicContact CE1-CD1 3.77Å; Y441-L445 HydrophobicContact CE1-CD2 4.07Å; Y441-L445 HydrophobicContact CE1-CG 3.92Å; Y441-L445 WeakPolarHBondContact O-CG 3.47Å; Y441-L445 PolarHBondContact O-N 2.88Å; K442-L445 PolarHBondContact O-N 3.37Å; L445-Y447 VanDerWaalsContact C-N 3.32Å; L445-Y447 PolarHBondContact O-N 3.34Å; L445-L448 PolarHBondContact O-N 3.22Å; L445-S449 WeakPolarHBondContact O-CB 3.43Å; L445-S449 PolarHBondContact O-N 2.82Å
446K98.8Very high98.4Very high128 Ų12862 Ų6256%0.55732%0.32SS*.Hα-helixtrans-57.9-45.7175.3174.2163.9174.144.60111.6K442 S444 L448 S449 D450K442-K446 PolarHBondContact O-N 3.04Å; S444-K446 PolarHBondContact O-N 3.33Å; K446-L448 VanDerWaalsContact C-N 3.34Å; K446-L448 PolarHBondContact O-N 3.13Å; K446-S449 WeakPolarHBondContact O-CB 3.37Å; K446-S449 PolarHBondContact O-N 3.24Å; K446-D450 IonicContact NZ-OD1 3.2Å; K446-D450 PolarHBondContact NZ-OD1 2.94Å; K446-D450 IonicContact NZ-OD2 3.51Å; K446-D450 PolarHBondContact NZ-OD2 3.01Å; K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 3.03Å
447Y98.8Very high98.3Very high83 Ų8363.3 Ų63.333%0.32533%0.327SS..Hα-helixtrans-62.6-41.4179.9-168.7-84.6000112.3R398 A443 S444 L445 D450 H451 L454R398-Y447 VanDerWaalsContact NH2-CD1 3.31Å; R398-Y447 VanDerWaalsContact NH2-CE1 3.25Å; A443-Y447 WeakPolarHBondContact O-CB 3.25Å; A443-Y447 PolarHBondContact O-N 3.22Å; S444-Y447 PolarHBondContact O-N 3.21Å; L445-Y447 VanDerWaalsContact C-N 3.32Å; L445-Y447 PolarHBondContact O-N 3.34Å; Y447-D450 PolarHBondContact O-N 3.26Å; Y447-H451 AromaticContact CD1-ND1 3.66Å; Y447-H451 AromaticContact CD2-CE1 3.81Å; Y447-H451 AromaticContact CD2-ND1 3.94Å; Y447-H451 HydrophobicContact CE1-CB 4.39Å; Y447-H451 AromaticContact CE1-CE1 3.93Å; Y447-H451 AromaticContact CE1-CG 3.92Å; Y447-H451 AromaticContact CE1-ND1 3.55Å; Y447-H451 AromaticContact CE2-CE1 3.46Å; Y447-H451 VanDerWaalsContact CE2-CE1 3.46Å; Y447-H451 WeakPolarHBondContact CE2-CE1 3.39Å; Y447-H451 AromaticContact CE2-ND1 3.85Å; Y447-H451 AromaticContact CG-ND1 3.86Å; Y447-H451 AromaticContact CZ-CE1 3.52Å; Y447-H451 AromaticContact CZ-ND1 3.65Å; Y447-H451 AromaticContact CZ-NE2 3.91Å; Y447-H451 PolarHBondContact O-N 3.06Å; Y447-H451 PolarHBondContact O-ND1 3.3Å; Y447-L454 HydrophobicContact CD1-CD1 4.06Å; Y447-L454 HydrophobicContact CE1-CD1 3.72Å
448L98.7Very high98.2Very high4 Ų463.9 Ų63.92%0.02133%0.332CS..Hα-helixtrans-64.2-42.3175.7-71.4162.9000111.3Y390 D394 L395 R398 S444 L445 K446 D450 H451 L454Y390-L448 HydrophobicContact CD1-CD1 4.49Å; Y390-L448 HydrophobicContact CD2-CD1 4.45Å; Y390-L448 HydrophobicContact CG-CD1 4.03Å; D394-L448 HydrophobicContact CB-CD2 4.01Å; L395-L448 HydrophobicContact CB-CD1 4.25Å; L395-L448 HydrophobicContact CD1-CD1 4.32Å; R398-L448 HydrophobicContact CG-CD1 3.98Å; R398-L448 HydrophobicContact CG-CD2 3.9Å; R398-L448 HydrophobicContact CG-CG 3.82Å; S444-L448 WeakPolarHBondContact O-CG 3.46Å; S444-L448 PolarHBondContact O-N 3.25Å; L445-L448 PolarHBondContact O-N 3.22Å; K446-L448 VanDerWaalsContact C-N 3.34Å; K446-L448 PolarHBondContact O-N 3.13Å; L448-D450 VanDerWaalsContact C-N 3.31Å; L448-D450 PolarHBondContact O-N 3.39Å; L448-H451 CarbonylContact O-C 3.05Å; L448-H451 VanDerWaalsContact O-C 3.23Å; L448-H451 PolarHBondContact O-N 3.39Å; L448-H451 VanDerWaalsContact O-N 3.16Å; L448-L454 HydrophobicContact CD2-CB 4.15Å; L448-L454 HydrophobicContact CD2-CD1 4.31Å
449S98.4Very high97.9Very high90 Ų9069.3 Ų69.363%0.62936%0.357SS*.Hα-helixtrans-59.9-39.4174.2-175.90000112.6L445 K446 H451L445-S449 WeakPolarHBondContact O-CB 3.43Å; L445-S449 PolarHBondContact O-N 2.82Å; K446-S449 WeakPolarHBondContact O-CB 3.37Å; K446-S449 PolarHBondContact O-N 3.24Å; S449-H451 VanDerWaalsContact C-N 3.33Å
450D98.4Very high97.7Very high89 Ų8971.6 Ų71.648%0.47637%0.368SS..Hα-helixtrans-77.8-17.5179.2-65.5-25.4000112.4K446 Y447 L448K446-D450 IonicContact NZ-OD1 3.2Å; K446-D450 PolarHBondContact NZ-OD1 2.94Å; K446-D450 IonicContact NZ-OD2 3.51Å; K446-D450 PolarHBondContact NZ-OD2 3.01Å; K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 3.03Å; Y447-D450 PolarHBondContact O-N 3.26Å; L448-D450 VanDerWaalsContact C-N 3.31Å; L448-D450 PolarHBondContact O-N 3.39Å
451H98.5Very high97.5Very high81 Ų8173 Ų7338%0.37538%0.375SS..  trans-128.865.9-178.9-54.582.4000112.7Y447 L448 S449 K453 L454Y447-H451 AromaticContact CD1-ND1 3.66Å; Y447-H451 AromaticContact CD2-CE1 3.81Å; Y447-H451 AromaticContact CD2-ND1 3.94Å; Y447-H451 HydrophobicContact CE1-CB 4.39Å; Y447-H451 AromaticContact CE1-CE1 3.93Å; Y447-H451 AromaticContact CE1-CG 3.92Å; Y447-H451 AromaticContact CE1-ND1 3.55Å; Y447-H451 AromaticContact CE2-CE1 3.46Å; Y447-H451 VanDerWaalsContact CE2-CE1 3.46Å; Y447-H451 WeakPolarHBondContact CE2-CE1 3.39Å; Y447-H451 AromaticContact CE2-ND1 3.85Å; Y447-H451 AromaticContact CG-ND1 3.86Å; Y447-H451 AromaticContact CZ-CE1 3.52Å; Y447-H451 AromaticContact CZ-ND1 3.65Å; Y447-H451 AromaticContact CZ-NE2 3.91Å; Y447-H451 PolarHBondContact O-N 3.06Å; Y447-H451 PolarHBondContact O-ND1 3.3Å; L448-H451 CarbonylContact O-C 3.05Å; L448-H451 VanDerWaalsContact O-C 3.23Å; L448-H451 PolarHBondContact O-N 3.39Å; L448-H451 VanDerWaalsContact O-N 3.16Å; S449-H451 VanDerWaalsContact C-N 3.33Å; H451-K453 PolarHBondContact O-N 2.8Å; H451-L454 HydrophobicContact CB-CD1 3.87Å; H451-L454 HydrophobicContact CB-CG 4.16Å; H451-L454 WeakPolarHBondContact O-CB 3.33Å; H451-L454 PolarHBondContact O-N 2.73Å
452P97.4Very high97.2Very high85 Ų8573.8 Ų73.855%0.55238%0.381SS*.G310 helixtrans-58.4-22.3-172.2-25.634.6000115.2L454 Q455P452-L454 PolarHBondContact O-N 3.32Å; P452-L454 VanDerWaalsContact O-N 3.13Å; P452-Q455 WeakPolarHBondContact O-CB 3.36Å; P452-Q455 PolarHBondContact O-N 2.89Å
453K97.9Very high96.8Very high199 Ų19976.2 Ų76.287%0.86539%0.392SS*.G310 helixtrans-64.5-13.2177.7-65-176.7-1791790113.8H451 Q455 I457H451-K453 PolarHBondContact O-N 2.8Å; K453-Q455 VanDerWaalsContact C-N 3.32Å; K453-I457 WeakPolarHBondContact O-CD1 3.46Å
454L97.9Very high96.4Very high50 Ų5076.1 Ų76.126%0.26238%0.384SS..G310 helixtrans-76.1-21177.2-67.5177.6000113.2Y447 L448 H451 P452 G456 I457Y447-L454 HydrophobicContact CD1-CD1 4.06Å; Y447-L454 HydrophobicContact CE1-CD1 3.72Å; L448-L454 HydrophobicContact CD2-CB 4.15Å; L448-L454 HydrophobicContact CD2-CD1 4.31Å; H451-L454 HydrophobicContact CB-CD1 3.87Å; H451-L454 HydrophobicContact CB-CG 4.16Å; H451-L454 WeakPolarHBondContact O-CB 3.33Å; H451-L454 PolarHBondContact O-N 2.73Å; P452-L454 PolarHBondContact O-N 3.32Å; P452-L454 VanDerWaalsContact O-N 3.13Å; L454-G456 PolarHBondContact O-N 2.92Å; L454-I457 HydrophobicContact CD2-CD1 4.3Å; L454-I457 WeakPolarHBondContact O-CG1 3.48Å; L454-I457 PolarHBondContact O-N 3.35Å
455Q97.9Very high95.7Very high77 Ų7778.2 Ų78.236%0.3639%0.394SS..THydrogen-bonded Turntrans-55125.5-176.4-176.6-177.89.700111.7D387 P452 K453 I457D387-Q455 PolarHBondContact OD1-NE2 2.7Å; D387-Q455 PolarHBondContact OD2-NE2 2.74Å; P452-Q455 WeakPolarHBondContact O-CB 3.36Å; P452-Q455 PolarHBondContact O-N 2.89Å; K453-Q455 VanDerWaalsContact C-N 3.32Å; Q455-I457 VanDerWaalsContact C-N 3.29Å; Q455-I457 PolarHBondContact O-N 3.26Å
456G95.8Very high94.4Very high30 Ų3079.2 Ų79.231%0.30940%0.401SS..THydrogen-bonded Turntrans79.31.8173.200000115.4D394 L454 Q459D394-G456 PolarHBondContact OD1-N 3.35Å; D394-G456 PolarHBondContact OD2-N 3.13Å; L454-G456 PolarHBondContact O-N 2.92Å; G456-Q459 PolarHBondContact O-NE2 3.01Å
457I96.8Very high94.2Very high117 Ų11776.8 Ų76.860%0.639%0.393SS*.THydrogen-bonded Turntrans-69.8-44.2176.1-63.1-176.8000110.4D394 K453 L454 Q455D394-I457 PolarHBondContact OD1-N 3.08Å; K453-I457 WeakPolarHBondContact O-CD1 3.46Å; L454-I457 HydrophobicContact CD2-CD1 4.3Å; L454-I457 WeakPolarHBondContact O-CG1 3.48Å; L454-I457 PolarHBondContact O-N 3.35Å; Q455-I457 VanDerWaalsContact C-N 3.29Å; Q455-I457 PolarHBondContact O-N 3.26Å
458A96.3Very high94Very high13 Ų1376.4 Ų76.411%0.10740%0.397CS..  trans-81.1127.7179.600000110.3Y393 D394Y393-A458 WeakPolarHBondContact CB-O 3.36Å; D394-A458 WeakPolarHBondContact OD1-CB 3.48Å; D394-A458 PolarHBondContact OD1-N 2.93Å; D394-A458 VanDerWaalsContact OD1-N 3.12Å
459Q93.3Very high93.7Very high117 Ų11780.4 Ų80.455%0.54742%0.417SS..  trans-140.82.2-176.7-65.4-64-22.700114G456G456-Q459 PolarHBondContact O-NE2 3.01Å
460Q94.5Very high93.4Very high161 Ų16179.9 Ų79.975%0.75241%0.405SS*.PPolyproline II helixtrans-84122.6-174.5-177.956.853.600111.3S462Q460-S462 PolarHBondContact O-N 3.33Å
461N93.5Very high93.1Very high60 Ų6079.3 Ų79.332%0.32140%0.401SS..PPolyproline II helixtrans-54.4129.1169.7-84.1-42000111.1Y393 F409 T410Y393-N461 PolarHBondContact OH-OD1 3.35Å; F409-N461 WeakPolarHBondContact CA-OD1 3.15Å; F409-N461 WeakPolarHBondContact CB-OD1 3.32Å; T410-N461 PolarHBondContact N-OD1 3.36Å
462S94.1Very high92.7Very high18 Ų1879.2 Ų79.213%0.12640%0.402CS..PPolyproline II helixtrans-73.7162.2167.3-69.20000111.6A408 Q460 K464A408-S462 PolarHBondContact O-N 3.21Å; A408-S462 VanDerWaalsContact O-N 3.12Å; Q460-S462 PolarHBondContact O-N 3.33Å; S462-K464 PolarHBondContact O-N 3.16Å
463F89.6Confident92.4Very high137 Ų13778.8 Ų78.860%0.60139%0.392SS*.PPolyproline II helixtrans-62.9128.9171-179.3-123.9000111.1H465 T466F463-H465 HydrophobicContact CE2-CB 3.91Å; F463-H465 HydrophobicContact CZ-CB 4.17Å; F463-T466 WeakPolarHBondContact CE1-O 2.92Å
464K91.4Very high92Very high34 Ų3469.5 Ų69.515%0.14836%0.355CS..  trans-125.6-0.5-169.565.5-175.8177-175.40116.1T212 Y213 F409 T410 R422 S462T212-K464 WeakPolarHBondContact CG2-O 3.43Å; Y213-K464 HydrophobicContact CD1-CD 4.26Å; Y213-K464 HydrophobicContact CE1-CD 4.28Å; Y213-K464 HydrophobicContact CE1-CG 4.46Å; F409-K464 HydrophobicContact CB-CD 3.92Å; F409-K464 HydrophobicContact CD1-CB 3.76Å; F409-K464 HydrophobicContact CD1-CD 4.36Å; F409-K464 HydrophobicContact CD2-CB 4.19Å; F409-K464 HydrophobicContact CD2-CD 3.47Å; F409-K464 VanDerWaalsContact CD2-CD 3.47Å; F409-K464 HydrophobicContact CD2-CG 4.48Å; F409-K464 HydrophobicContact CE1-CB 3.87Å; F409-K464 HydrophobicContact CE2-CB 4.28Å; F409-K464 HydrophobicContact CE2-CD 4.04Å; F409-K464 HydrophobicContact CG-CB 3.93Å; F409-K464 HydrophobicContact CG-CD 3.65Å; F409-K464 HydrophobicContact CG-CG 4.43Å; F409-K464 HydrophobicContact CZ-CB 4.13Å; T410-K464 PolarHBondContact O-NZ 3.05Å; R422-K464 PolarHBondContact NH1-O 3.11Å; S462-K464 PolarHBondContact O-N 3.16Å
465H82.7Confident91.5Very high45 Ų4571.2 Ų71.221%0.20836%0.363CS..  trans-98.7-25-164.4-71.2-63.9000117.4Q163 Y213 F463Q163-H465 PolarHBondContact NE2-O 3.21Å; Y213-H465 AromaticContact CE1-CE1 3.97Å; F463-H465 HydrophobicContact CE2-CB 3.91Å; F463-H465 HydrophobicContact CZ-CB 4.17Å
466T72.2Confident90.9Very high45 Ų4570.6 Ų70.628%0.27636%0.363SS..  trans-176.70161.7-174.80000112.5T62 F63 K276 F463T62-T466 VanDerWaalsContact CA-OXT 3.28Å; T62-T466 WeakPolarHBondContact CA-OXT 3.46Å; T62-T466 WeakPolarHBondContact CB-OXT 3.46Å; T62-T466 PolarHBondContact OG1-OXT 3.37Å; F63-T466 PolarHBondContact N-OXT 3.12Å; K276-T466 VanDerWaalsContact CE-OG1 3.29Å; K276-T466 WeakPolarHBondContact CE-OG1 3.41Å; F463-T466 WeakPolarHBondContact CE1-O 2.92Å

Retrieved 466 of 466 residues in 222 ms (Link to these results)

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